data_1DEO # _entry.id 1DEO # _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 1DEO RCSB RCSB010019 WWPDB D_1000010019 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 1DEX _pdbx_database_related.details 'Rhamnogalacturonan acetylesterase from Aspergillus aculeatus without SO4 in the active site' _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1DEO _pdbx_database_status.recvd_initial_deposition_date 1999-11-15 _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 1DEO _cell.length_a 52.14 _cell.length_b 56.87 _cell.length_c 71.89 _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 1DEO _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 2 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 2 ? ? ? ? 5 non-polymer syn 'SULFATE ION' 96.063 2 ? ? ? ? 6 water nat water 18.015 153 ? ? ? ? # _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 1DEO _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 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 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 1DEO _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.16 _exptl_crystal.density_percent_sol 43.16 _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 5.0 _exptl_crystal_grow.pdbx_details 'Lithium sulfate, Na acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 291.0 _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 1995-04-25 _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 1DEO _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30 _reflns.d_resolution_high 1.55 _reflns.number_obs 28693 _reflns.number_all 28693 _reflns.percent_possible_obs 91.0 _reflns.pdbx_Rmerge_I_obs 0.035 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 13.7 _reflns.B_iso_Wilson_estimate 17.7 _reflns.pdbx_redundancy 7.7 _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 1.55 _reflns_shell.d_res_low 1.63 _reflns_shell.percent_possible_all 77.9 _reflns_shell.Rmerge_I_obs 0.293 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy 2.8 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 3517 _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 1DEO _refine.ls_number_reflns_obs 28316 _refine.ls_number_reflns_all 28647 _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 30.0 _refine.ls_d_res_high 1.55 _refine.ls_percent_reflns_obs 98.7 _refine.ls_R_factor_obs ? _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.164 _refine.ls_R_factor_R_free 0.2 _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 2818 _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 96 _refine_hist.number_atoms_solvent 153 _refine_hist.number_atoms_total 1984 _refine_hist.d_res_high 1.55 _refine_hist.d_res_low 30.0 # 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 1.60 ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 1DEO _struct.title 'RHAMNOGALACTURONAN ACETYLESTERASE FROM ASPERGILLUS ACULEATUS AT 1.55 A RESOLUTION WITH SO4 IN THE ACTIVE SITE' _struct.pdbx_descriptor 'RHAMNOGALACTURONAN ACETYLESTERASE' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1DEO _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 3 ? F N N 4 ? G N N 4 ? H N N 2 ? I N N 5 ? J N N 5 ? K N N 6 ? # _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 ? ? ? ? ? ? ? 2.045 ? covale1 covale ? ? D BMA . O6 ? ? ? 1_555 E BMA . C1 ? ? A BMA 1004 A BMA 1005 1_555 ? ? ? ? ? ? ? 1.371 ? covale2 covale ? ? D BMA . C1 ? ? ? 1_555 C NAG . O4 ? ? A BMA 1004 A NAG 1003 1_555 ? ? ? ? ? ? ? 1.387 ? covale3 covale ? ? C NAG . C1 ? ? ? 1_555 B NAG . O4 ? ? A NAG 1003 A NAG 1001 1_555 ? ? ? ? ? ? ? 1.387 ? covale4 covale ? ? G MAN . C1 ? ? ? 1_555 E BMA . O3 ? ? A MAN 1007 A BMA 1005 1_555 ? ? ? ? ? ? ? 1.390 ? covale5 covale ? ? E BMA . O6 ? ? ? 1_555 F MAN . C1 ? ? A BMA 1005 A MAN 1006 1_555 ? ? ? ? ? ? ? 1.397 ? covale6 covale ? ? A ASN 182 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 182 A NAG 1001 1_555 ? ? ? ? ? ? ? 1.442 ? covale7 covale ? ? A ASN 104 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 104 A NAG 1002 1_555 ? ? ? ? ? ? ? 1.463 ? # 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 ? ALA A 6 ? THR A 2 ALA A 6 A 3 TYR A 66 ? VAL A 69 ? TYR A 66 VAL A 69 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 ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 1001' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 1003' AC3 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE BMA A 1004' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE BMA A 1005' AC5 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MAN A 1006' AC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MAN A 1007' AC7 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 1002' AC8 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE SO4 A 2001' AC9 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE SO4 A 2002' # 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 5 SER A 89 ? SER A 89 . ? 2_765 ? 2 AC1 5 GLY A 142 ? GLY A 142 . ? 1_555 ? 3 AC1 5 ASN A 182 ? ASN A 182 . ? 1_555 ? 4 AC1 5 NAG C . ? NAG A 1003 . ? 1_555 ? 5 AC1 5 HOH K . ? HOH A 2074 . ? 1_555 ? 6 AC2 5 NAG B . ? NAG A 1001 . ? 1_555 ? 7 AC2 5 BMA D . ? BMA A 1004 . ? 1_555 ? 8 AC2 5 BMA E . ? BMA A 1005 . ? 1_555 ? 9 AC2 5 MAN G . ? MAN A 1007 . ? 1_555 ? 10 AC2 5 HOH K . ? HOH A 2048 . ? 1_555 ? 11 AC3 7 VAL A 213 ? VAL A 213 . ? 3_746 ? 12 AC3 7 CYS A 214 ? CYS A 214 . ? 3_746 ? 13 AC3 7 THR A 215 ? THR A 215 . ? 3_746 ? 14 AC3 7 GLY A 216 ? GLY A 216 . ? 3_746 ? 15 AC3 7 LYS A 220 ? LYS A 220 . ? 3_746 ? 16 AC3 7 NAG C . ? NAG A 1003 . ? 1_555 ? 17 AC3 7 BMA E . ? BMA A 1005 . ? 1_555 ? 18 AC4 6 VAL A 213 ? VAL A 213 . ? 3_746 ? 19 AC4 6 CYS A 232 ? CYS A 232 . ? 3_746 ? 20 AC4 6 NAG C . ? NAG A 1003 . ? 1_555 ? 21 AC4 6 BMA D . ? BMA A 1004 . ? 1_555 ? 22 AC4 6 MAN F . ? MAN A 1006 . ? 1_555 ? 23 AC4 6 MAN G . ? MAN A 1007 . ? 1_555 ? 24 AC5 8 GLU A 55 ? GLU A 55 . ? 4_556 ? 25 AC5 8 LYS A 210 ? LYS A 210 . ? 3_746 ? 26 AC5 8 THR A 226 ? THR A 226 . ? 3_746 ? 27 AC5 8 GLY A 230 ? GLY A 230 . ? 3_746 ? 28 AC5 8 THR A 231 ? THR A 231 . ? 3_746 ? 29 AC5 8 CYS A 232 ? CYS A 232 . ? 3_746 ? 30 AC5 8 BMA E . ? BMA A 1005 . ? 1_555 ? 31 AC5 8 HOH K . ? HOH A 2052 . ? 3_746 ? 32 AC6 5 GLY A 90 ? GLY A 90 . ? 2_765 ? 33 AC6 5 THR A 91 ? THR A 91 . ? 2_765 ? 34 AC6 5 GLU A 94 ? GLU A 94 . ? 2_765 ? 35 AC6 5 NAG C . ? NAG A 1003 . ? 1_555 ? 36 AC6 5 BMA E . ? BMA A 1005 . ? 1_555 ? 37 AC7 3 ASN A 104 ? ASN A 104 . ? 1_555 ? 38 AC7 3 GLU A 160 ? GLU A 160 . ? 3_745 ? 39 AC7 3 HOH K . ? HOH A 2065 . ? 3_745 ? 40 AC8 5 SER A 9 ? SER A 9 . ? 1_555 ? 41 AC8 5 GLY A 42 ? GLY A 42 . ? 1_555 ? 42 AC8 5 ASN A 74 ? ASN A 74 . ? 1_555 ? 43 AC8 5 HIS A 195 ? HIS A 195 . ? 1_555 ? 44 AC8 5 HOH K . ? HOH A 2051 . ? 1_555 ? 45 AC9 2 THR A 149 ? THR A 149 . ? 1_555 ? 46 AC9 2 ARG A 150 ? ARG A 150 . ? 1_555 ? # _database_PDB_matrix.entry_id 1DEO _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 1DEO _atom_sites.fract_transf_matrix[1][1] 0.019179 _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] 0.017584 _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] 0.013910 _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 ? 25.100 25.868 37.537 1.00 22.07 ? 1 THR A N 1 ATOM 2 C CA . THR A 1 1 ? 26.417 26.455 37.184 1.00 20.96 ? 1 THR A CA 1 ATOM 3 C C . THR A 1 1 ? 27.517 25.460 37.551 1.00 19.38 ? 1 THR A C 1 ATOM 4 O O . THR A 1 1 ? 27.490 24.828 38.621 1.00 18.36 ? 1 THR A O 1 ATOM 5 C CB . THR A 1 1 ? 26.639 27.790 37.929 1.00 22.08 ? 1 THR A CB 1 ATOM 6 O OG1 . THR A 1 1 ? 25.511 28.636 37.708 1.00 23.67 ? 1 THR A OG1 1 ATOM 7 C CG2 . THR A 1 1 ? 27.888 28.497 37.439 1.00 23.74 ? 1 THR A CG2 1 ATOM 8 H H1 . THR A 1 1 ? 24.965 24.987 37.001 1.00 20.00 ? 1 THR A H1 1 ATOM 9 H H2 . THR A 1 1 ? 24.350 26.544 37.287 1.00 20.00 ? 1 THR A H2 1 ATOM 10 H H3 . THR A 1 1 ? 25.064 25.667 38.556 1.00 20.00 ? 1 THR A H3 1 ATOM 11 H HG1 . THR A 1 1 ? 25.412 28.796 36.767 1.00 20.00 ? 1 THR A HG1 1 ATOM 12 N N . THR A 1 2 ? 28.462 25.286 36.637 1.00 16.48 ? 2 THR A N 1 ATOM 13 C CA . THR A 1 2 ? 29.552 24.377 36.892 1.00 14.81 ? 2 THR A CA 1 ATOM 14 C C . THR A 1 2 ? 30.843 25.153 36.656 1.00 14.39 ? 2 THR A C 1 ATOM 15 O O . THR A 1 2 ? 30.904 26.037 35.799 1.00 13.58 ? 2 THR A O 1 ATOM 16 C CB . THR A 1 2 ? 29.482 23.145 35.960 1.00 14.68 ? 2 THR A CB 1 ATOM 17 O OG1 . THR A 1 2 ? 28.201 22.525 36.099 1.00 15.84 ? 2 THR A OG1 1 ATOM 18 C CG2 . THR A 1 2 ? 30.573 22.142 36.299 1.00 13.82 ? 2 THR A CG2 1 ATOM 19 H H . THR A 1 2 ? 28.422 25.774 35.791 1.00 20.00 ? 2 THR A H 1 ATOM 20 H HG1 . THR A 1 2 ? 28.143 21.758 35.525 1.00 20.00 ? 2 THR A HG1 1 ATOM 21 N N . VAL A 1 3 ? 31.859 24.827 37.445 1.00 12.40 ? 3 VAL A N 1 ATOM 22 C CA . VAL A 1 3 ? 33.150 25.458 37.332 1.00 12.36 ? 3 VAL A CA 1 ATOM 23 C C . VAL A 1 3 ? 34.126 24.367 36.917 1.00 12.31 ? 3 VAL A C 1 ATOM 24 O O . VAL A 1 3 ? 34.289 23.385 37.630 1.00 12.71 ? 3 VAL A O 1 ATOM 25 C CB . VAL A 1 3 ? 33.590 26.048 38.683 1.00 12.62 ? 3 VAL A CB 1 ATOM 26 C CG1 . VAL A 1 3 ? 34.982 26.579 38.589 1.00 11.37 ? 3 VAL A CG1 1 ATOM 27 C CG2 . VAL A 1 3 ? 32.609 27.141 39.130 1.00 13.94 ? 3 VAL A CG2 1 ATOM 28 H H . VAL A 1 3 ? 31.745 24.127 38.107 1.00 20.00 ? 3 VAL A H 1 ATOM 29 N N . TYR A 1 4 ? 34.707 24.511 35.729 1.00 11.17 ? 4 TYR A N 1 ATOM 30 C CA . TYR A 1 4 ? 35.695 23.563 35.236 1.00 11.60 ? 4 TYR A CA 1 ATOM 31 C C . TYR A 1 4 ? 37.112 24.058 35.531 1.00 11.71 ? 4 TYR A C 1 ATOM 32 O O . TYR A 1 4 ? 37.407 25.217 35.348 1.00 12.72 ? 4 TYR A O 1 ATOM 33 C CB . TYR A 1 4 ? 35.528 23.336 33.738 1.00 10.87 ? 4 TYR A CB 1 ATOM 34 C CG . TYR A 1 4 ? 34.243 22.620 33.416 1.00 12.53 ? 4 TYR A CG 1 ATOM 35 C CD1 . TYR A 1 4 ? 33.086 23.345 33.123 1.00 12.27 ? 4 TYR A CD1 1 ATOM 36 C CD2 . TYR A 1 4 ? 34.178 21.225 33.424 1.00 12.33 ? 4 TYR A CD2 1 ATOM 37 C CE1 . TYR A 1 4 ? 31.879 22.701 32.840 1.00 13.95 ? 4 TYR A CE1 1 ATOM 38 C CE2 . TYR A 1 4 ? 32.971 20.558 33.138 1.00 14.75 ? 4 TYR A CE2 1 ATOM 39 C CZ . TYR A 1 4 ? 31.827 21.310 32.847 1.00 15.65 ? 4 TYR A CZ 1 ATOM 40 O OH . TYR A 1 4 ? 30.627 20.683 32.576 1.00 16.33 ? 4 TYR A OH 1 ATOM 41 H H . TYR A 1 4 ? 34.452 25.249 35.163 1.00 20.00 ? 4 TYR A H 1 ATOM 42 H HH . TYR A 1 4 ? 30.734 19.730 32.630 1.00 20.00 ? 4 TYR A HH 1 ATOM 43 N N . LEU A 1 5 ? 37.960 23.169 36.028 1.00 10.96 ? 5 LEU A N 1 ATOM 44 C CA . LEU A 1 5 ? 39.339 23.501 36.341 1.00 9.88 ? 5 LEU A CA 1 ATOM 45 C C . LEU A 1 5 ? 40.286 22.772 35.386 1.00 10.04 ? 5 LEU A C 1 ATOM 46 O O . LEU A 1 5 ? 40.149 21.576 35.174 1.00 10.35 ? 5 LEU A O 1 ATOM 47 C CB . LEU A 1 5 ? 39.668 23.064 37.761 1.00 10.83 ? 5 LEU A CB 1 ATOM 48 C CG . LEU A 1 5 ? 38.731 23.523 38.878 1.00 13.23 ? 5 LEU A CG 1 ATOM 49 C CD1 . LEU A 1 5 ? 39.233 22.950 40.190 1.00 14.20 ? 5 LEU A CD1 1 ATOM 50 C CD2 . LEU A 1 5 ? 38.663 25.036 38.937 1.00 14.08 ? 5 LEU A CD2 1 ATOM 51 H H . LEU A 1 5 ? 37.644 22.259 36.192 1.00 20.00 ? 5 LEU A H 1 ATOM 52 N N . ALA A 1 6 ? 41.256 23.501 34.840 1.00 8.76 ? 6 ALA A N 1 ATOM 53 C CA . ALA A 1 6 ? 42.262 22.933 33.951 1.00 8.33 ? 6 ALA A CA 1 ATOM 54 C C . ALA A 1 6 ? 43.608 23.385 34.533 1.00 9.17 ? 6 ALA A C 1 ATOM 55 O O . ALA A 1 6 ? 43.841 24.574 34.749 1.00 9.01 ? 6 ALA A O 1 ATOM 56 C CB . ALA A 1 6 ? 42.091 23.441 32.517 1.00 7.70 ? 6 ALA A CB 1 ATOM 57 H H . ALA A 1 6 ? 41.306 24.451 35.054 1.00 20.00 ? 6 ALA A H 1 ATOM 58 N N . GLY A 1 7 ? 44.476 22.418 34.805 1.00 8.55 ? 7 GLY A N 1 ATOM 59 C CA . GLY A 1 7 ? 45.763 22.716 35.386 1.00 9.36 ? 7 GLY A CA 1 ATOM 60 C C . GLY A 1 7 ? 46.598 21.453 35.497 1.00 9.38 ? 7 GLY A C 1 ATOM 61 O O . GLY A 1 7 ? 46.275 20.435 34.870 1.00 9.36 ? 7 GLY A O 1 ATOM 62 H H . GLY A 1 7 ? 44.241 21.490 34.603 1.00 20.00 ? 7 GLY A H 1 ATOM 63 N N . ASP A 1 8 ? 47.645 21.523 36.327 1.00 8.67 ? 8 ASP A N 1 ATOM 64 C CA . ASP A 1 8 ? 48.594 20.429 36.514 1.00 9.69 ? 8 ASP A CA 1 ATOM 65 C C . ASP A 1 8 ? 48.545 19.814 37.929 1.00 10.70 ? 8 ASP A C 1 ATOM 66 O O . ASP A 1 8 ? 47.523 19.916 38.607 1.00 10.78 ? 8 ASP A O 1 ATOM 67 C CB . ASP A 1 8 ? 50.004 20.920 36.164 1.00 9.91 ? 8 ASP A CB 1 ATOM 68 C CG . ASP A 1 8 ? 50.427 22.141 36.977 1.00 10.35 ? 8 ASP A CG 1 ATOM 69 O OD1 . ASP A 1 8 ? 50.069 22.216 38.160 1.00 10.03 ? 8 ASP A OD1 1 ATOM 70 O OD2 . ASP A 1 8 ? 51.131 23.036 36.441 1.00 11.13 ? 8 ASP A OD2 1 ATOM 71 H H . ASP A 1 8 ? 47.789 22.348 36.829 1.00 20.00 ? 8 ASP A H 1 ATOM 72 N N . SER A 1 9 ? 49.636 19.178 38.364 1.00 10.23 ? 9 SER A N 1 ATOM 73 C CA . SER A 1 9 ? 49.679 18.550 39.683 1.00 10.74 ? 9 SER A CA 1 ATOM 74 C C . SER A 1 9 ? 49.499 19.525 40.849 1.00 10.74 ? 9 SER A C 1 ATOM 75 O O . SER A 1 9 ? 49.251 19.105 41.967 1.00 12.67 ? 9 SER A O 1 ATOM 76 C CB . SER A 1 9 ? 50.998 17.815 39.875 1.00 10.75 ? 9 SER A CB 1 ATOM 77 O OG . SER A 1 9 ? 52.056 18.757 39.873 1.00 17.35 ? 9 SER A OG 1 ATOM 78 H H . SER A 1 9 ? 50.426 19.099 37.790 1.00 20.00 ? 9 SER A H 1 ATOM 79 H HG . SER A 1 9 ? 52.854 18.233 39.937 1.00 20.00 ? 9 SER A HG 1 ATOM 80 N N . THR A 1 10 ? 49.720 20.814 40.626 1.00 9.85 ? 10 THR A N 1 ATOM 81 C CA . THR A 1 10 ? 49.533 21.752 41.722 1.00 10.37 ? 10 THR A CA 1 ATOM 82 C C . THR A 1 10 ? 48.043 22.042 41.979 1.00 9.72 ? 10 THR A C 1 ATOM 83 O O . THR A 1 10 ? 47.679 22.533 43.053 1.00 10.22 ? 10 THR A O 1 ATOM 84 C CB . THR A 1 10 ? 50.303 23.080 41.503 1.00 9.93 ? 10 THR A CB 1 ATOM 85 O OG1 . THR A 1 10 ? 49.828 23.742 40.322 1.00 8.97 ? 10 THR A OG1 1 ATOM 86 C CG2 . THR A 1 10 ? 51.815 22.817 41.392 1.00 10.13 ? 10 THR A CG2 1 ATOM 87 H H . THR A 1 10 ? 50.035 21.098 39.755 1.00 20.00 ? 10 THR A H 1 ATOM 88 H HG1 . THR A 1 10 ? 48.888 23.927 40.359 1.00 20.00 ? 10 THR A HG1 1 ATOM 89 N N . MET A 1 11 ? 47.197 21.640 41.029 1.00 9.33 ? 11 MET A N 1 ATOM 90 C CA . MET A 1 11 ? 45.761 21.844 41.093 1.00 10.40 ? 11 MET A CA 1 ATOM 91 C C . MET A 1 11 ? 44.984 20.521 41.170 1.00 11.44 ? 11 MET A C 1 ATOM 92 O O . MET A 1 11 ? 43.900 20.453 41.780 1.00 11.77 ? 11 MET A O 1 ATOM 93 C CB . MET A 1 11 ? 45.300 22.601 39.833 1.00 9.81 ? 11 MET A CB 1 ATOM 94 C CG . MET A 1 11 ? 43.819 22.922 39.790 1.00 11.86 ? 11 MET A CG 1 ATOM 95 S SD . MET A 1 11 ? 43.284 23.552 38.165 1.00 12.76 ? 11 MET A SD 1 ATOM 96 C CE . MET A 1 11 ? 43.771 25.218 38.270 1.00 13.45 ? 11 MET A CE 1 ATOM 97 H H . MET A 1 11 ? 47.557 21.163 40.257 1.00 20.00 ? 11 MET A H 1 ATOM 98 N N . ALA A 1 12 ? 45.557 19.477 40.582 1.00 10.79 ? 12 ALA A N 1 ATOM 99 C CA . ALA A 1 12 ? 44.905 18.165 40.496 1.00 11.95 ? 12 ALA A CA 1 ATOM 100 C C . ALA A 1 12 ? 44.665 17.355 41.780 1.00 12.35 ? 12 ALA A C 1 ATOM 101 O O . ALA A 1 12 ? 45.409 17.460 42.771 1.00 12.43 ? 12 ALA A O 1 ATOM 102 C CB . ALA A 1 12 ? 45.676 17.289 39.490 1.00 10.82 ? 12 ALA A CB 1 ATOM 103 H H . ALA A 1 12 ? 46.454 19.586 40.212 1.00 20.00 ? 12 ALA A H 1 ATOM 104 N N . LYS A 1 13 ? 43.626 16.521 41.728 1.00 12.73 ? 13 LYS A N 1 ATOM 105 C CA . LYS A 1 13 ? 43.317 15.594 42.813 1.00 14.13 ? 13 LYS A CA 1 ATOM 106 C C . LYS A 1 13 ? 44.565 14.678 42.955 1.00 14.62 ? 13 LYS A C 1 ATOM 107 O O . LYS A 1 13 ? 45.088 14.163 41.948 1.00 15.25 ? 13 LYS A O 1 ATOM 108 C CB . LYS A 1 13 ? 42.088 14.749 42.432 1.00 16.29 ? 13 LYS A CB 1 ATOM 109 C CG . LYS A 1 13 ? 41.771 13.592 43.401 1.00 21.26 ? 13 LYS A CG 1 ATOM 110 C CD . LYS A 1 13 ? 40.687 12.697 42.834 1.00 26.17 ? 13 LYS A CD 1 ATOM 111 C CE . LYS A 1 13 ? 41.171 12.069 41.533 1.00 30.66 ? 13 LYS A CE 1 ATOM 112 N NZ . LYS A 1 13 ? 40.183 11.125 40.916 1.00 36.07 ? 13 LYS A NZ 1 ATOM 113 H H . LYS A 1 13 ? 43.055 16.530 40.934 1.00 20.00 ? 13 LYS A H 1 ATOM 114 H HZ1 . LYS A 1 13 ? 39.305 11.640 40.708 1.00 20.00 ? 13 LYS A HZ1 1 ATOM 115 H HZ2 . LYS A 1 13 ? 39.983 10.355 41.585 1.00 20.00 ? 13 LYS A HZ2 1 ATOM 116 H HZ3 . LYS A 1 13 ? 40.572 10.731 40.035 1.00 20.00 ? 13 LYS A HZ3 1 ATOM 117 N N . ASN A 1 14 ? 45.057 14.533 44.188 1.00 15.36 ? 14 ASN A N 1 ATOM 118 C CA . ASN A 1 14 ? 46.240 13.725 44.533 1.00 15.44 ? 14 ASN A CA 1 ATOM 119 C C . ASN A 1 14 ? 47.568 14.377 44.218 1.00 15.18 ? 14 ASN A C 1 ATOM 120 O O . ASN A 1 14 ? 48.600 13.719 44.253 1.00 15.19 ? 14 ASN A O 1 ATOM 121 C CB . ASN A 1 14 ? 46.175 12.314 43.934 1.00 18.04 ? 14 ASN A CB 1 ATOM 122 C CG . ASN A 1 14 ? 45.077 11.478 44.564 1.00 22.18 ? 14 ASN A CG 1 ATOM 123 O OD1 . ASN A 1 14 ? 44.847 11.554 45.781 1.00 24.25 ? 14 ASN A OD1 1 ATOM 124 N ND2 . ASN A 1 14 ? 44.364 10.705 43.742 1.00 23.75 ? 14 ASN A ND2 1 ATOM 125 H H . ASN A 1 14 ? 44.578 14.978 44.914 1.00 20.00 ? 14 ASN A H 1 ATOM 126 H HD21 . ASN A 1 14 ? 44.581 10.718 42.787 1.00 0.00 ? 14 ASN A HD21 1 ATOM 127 H HD22 . ASN A 1 14 ? 43.651 10.154 44.129 1.00 0.00 ? 14 ASN A HD22 1 ATOM 128 N N . GLY A 1 15 ? 47.526 15.661 43.878 1.00 15.62 ? 15 GLY A N 1 ATOM 129 C CA . GLY A 1 15 ? 48.730 16.427 43.602 1.00 15.89 ? 15 GLY A CA 1 ATOM 130 C C . GLY A 1 15 ? 49.794 15.685 42.808 1.00 17.85 ? 15 GLY A C 1 ATOM 131 O O . GLY A 1 15 ? 49.510 15.176 41.719 1.00 17.44 ? 15 GLY A O 1 ATOM 132 H H . GLY A 1 15 ? 46.656 16.106 43.813 1.00 20.00 ? 15 GLY A H 1 ATOM 133 N N . GLY A 1 16 ? 51.020 15.658 43.337 1.00 17.54 ? 16 GLY A N 1 ATOM 134 C CA . GLY A 1 16 ? 52.106 14.958 42.684 1.00 19.54 ? 16 GLY A CA 1 ATOM 135 C C . GLY A 1 16 ? 52.388 13.629 43.377 1.00 21.81 ? 16 GLY A C 1 ATOM 136 O O . GLY A 1 16 ? 53.517 13.137 43.323 1.00 25.14 ? 16 GLY A O 1 ATOM 137 H H . GLY A 1 16 ? 51.190 16.141 44.172 1.00 20.00 ? 16 GLY A H 1 ATOM 138 N N . GLY A 1 17 ? 51.356 13.039 43.985 1.00 21.11 ? 17 GLY A N 1 ATOM 139 C CA . GLY A 1 17 ? 51.482 11.782 44.703 1.00 22.16 ? 17 GLY A CA 1 ATOM 140 C C . GLY A 1 17 ? 52.099 11.925 46.090 1.00 23.37 ? 17 GLY A C 1 ATOM 141 O O . GLY A 1 17 ? 52.238 13.026 46.616 1.00 22.40 ? 17 GLY A O 1 ATOM 142 H H . GLY A 1 17 ? 50.489 13.478 43.943 1.00 20.00 ? 17 GLY A H 1 ATOM 143 N N . SER A 1 18 ? 52.404 10.793 46.719 1.00 25.48 ? 18 SER A N 1 ATOM 144 C CA . SER A 1 18 ? 53.048 10.759 48.035 1.00 26.55 ? 18 SER A CA 1 ATOM 145 C C . SER A 1 18 ? 52.426 11.664 49.109 1.00 27.12 ? 18 SER A C 1 ATOM 146 O O . SER A 1 18 ? 53.139 12.399 49.812 1.00 28.23 ? 18 SER A O 1 ATOM 147 C CB . SER A 1 18 ? 54.540 11.082 47.878 1.00 28.66 ? 18 SER A CB 1 ATOM 148 O OG . SER A 1 18 ? 55.288 10.573 48.968 1.00 30.54 ? 18 SER A OG 1 ATOM 149 H H . SER A 1 18 ? 52.187 9.944 46.289 1.00 20.00 ? 18 SER A H 1 ATOM 150 H HG . SER A 1 18 ? 56.215 10.796 48.849 1.00 20.00 ? 18 SER A HG 1 ATOM 151 N N . GLY A 1 19 ? 51.099 11.639 49.209 1.00 26.55 ? 19 GLY A N 1 ATOM 152 C CA . GLY A 1 19 ? 50.429 12.445 50.215 1.00 26.35 ? 19 GLY A CA 1 ATOM 153 C C . GLY A 1 19 ? 50.275 13.934 49.952 1.00 24.67 ? 19 GLY A C 1 ATOM 154 O O . GLY A 1 19 ? 49.976 14.687 50.871 1.00 28.25 ? 19 GLY A O 1 ATOM 155 H H . GLY A 1 19 ? 50.575 11.077 48.600 1.00 20.00 ? 19 GLY A H 1 ATOM 156 N N . THR A 1 20 ? 50.541 14.366 48.722 1.00 21.35 ? 20 THR A N 1 ATOM 157 C CA . THR A 1 20 ? 50.390 15.773 48.345 1.00 16.05 ? 20 THR A CA 1 ATOM 158 C C . THR A 1 20 ? 49.017 15.900 47.667 1.00 14.83 ? 20 THR A C 1 ATOM 159 O O . THR A 1 20 ? 48.407 14.899 47.293 1.00 13.70 ? 20 THR A O 1 ATOM 160 C CB . THR A 1 20 ? 51.507 16.252 47.372 1.00 15.70 ? 20 THR A CB 1 ATOM 161 O OG1 . THR A 1 20 ? 51.443 15.519 46.143 1.00 12.84 ? 20 THR A OG1 1 ATOM 162 C CG2 . THR A 1 20 ? 52.908 16.131 48.018 1.00 15.04 ? 20 THR A CG2 1 ATOM 163 H H . THR A 1 20 ? 50.848 13.724 48.050 1.00 20.00 ? 20 THR A H 1 ATOM 164 H HG1 . THR A 1 20 ? 50.596 15.662 45.715 1.00 20.00 ? 20 THR A HG1 1 ATOM 165 N N . ASN A 1 21 ? 48.516 17.117 47.529 1.00 13.03 ? 21 ASN A N 1 ATOM 166 C CA . ASN A 1 21 ? 47.233 17.278 46.903 1.00 11.92 ? 21 ASN A CA 1 ATOM 167 C C . ASN A 1 21 ? 47.256 18.588 46.164 1.00 11.01 ? 21 ASN A C 1 ATOM 168 O O . ASN A 1 21 ? 48.142 19.407 46.380 1.00 11.32 ? 21 ASN A O 1 ATOM 169 C CB . ASN A 1 21 ? 46.137 17.258 47.967 1.00 12.75 ? 21 ASN A CB 1 ATOM 170 C CG . ASN A 1 21 ? 44.810 16.763 47.419 1.00 14.47 ? 21 ASN A CG 1 ATOM 171 O OD1 . ASN A 1 21 ? 44.676 16.487 46.220 1.00 14.36 ? 21 ASN A OD1 1 ATOM 172 N ND2 . ASN A 1 21 ? 43.817 16.660 48.290 1.00 15.76 ? 21 ASN A ND2 1 ATOM 173 H H . ASN A 1 21 ? 49.000 17.898 47.852 1.00 20.00 ? 21 ASN A H 1 ATOM 174 H HD21 . ASN A 1 21 ? 44.008 16.894 49.220 1.00 0.00 ? 21 ASN A HD21 1 ATOM 175 H HD22 . ASN A 1 21 ? 42.942 16.361 47.978 1.00 0.00 ? 21 ASN A HD22 1 ATOM 176 N N . GLY A 1 22 ? 46.287 18.773 45.277 1.00 10.84 ? 22 GLY A N 1 ATOM 177 C CA . GLY A 1 22 ? 46.186 19.995 44.503 1.00 10.27 ? 22 GLY A CA 1 ATOM 178 C C . GLY A 1 22 ? 45.146 20.949 45.068 1.00 10.54 ? 22 GLY A C 1 ATOM 179 O O . GLY A 1 22 ? 44.157 20.524 45.677 1.00 11.10 ? 22 GLY A O 1 ATOM 180 H H . GLY A 1 22 ? 45.618 18.072 45.141 1.00 20.00 ? 22 GLY A H 1 ATOM 181 N N . TRP A 1 23 ? 45.322 22.239 44.790 1.00 10.76 ? 23 TRP A N 1 ATOM 182 C CA . TRP A 1 23 ? 44.416 23.258 45.323 1.00 9.57 ? 23 TRP A CA 1 ATOM 183 C C . TRP A 1 23 ? 42.970 23.198 44.823 1.00 8.71 ? 23 TRP A C 1 ATOM 184 O O . TRP A 1 23 ? 42.069 23.690 45.483 1.00 9.25 ? 23 TRP A O 1 ATOM 185 C CB . TRP A 1 23 ? 45.034 24.663 45.170 1.00 10.69 ? 23 TRP A CB 1 ATOM 186 C CG . TRP A 1 23 ? 45.014 25.290 43.779 1.00 8.75 ? 23 TRP A CG 1 ATOM 187 C CD1 . TRP A 1 23 ? 46.047 25.331 42.884 1.00 9.82 ? 23 TRP A CD1 1 ATOM 188 C CD2 . TRP A 1 23 ? 43.949 26.045 43.200 1.00 9.32 ? 23 TRP A CD2 1 ATOM 189 N NE1 . TRP A 1 23 ? 45.691 26.073 41.777 1.00 10.72 ? 23 TRP A NE1 1 ATOM 190 C CE2 . TRP A 1 23 ? 44.408 26.529 41.948 1.00 10.61 ? 23 TRP A CE2 1 ATOM 191 C CE3 . TRP A 1 23 ? 42.649 26.377 43.620 1.00 10.08 ? 23 TRP A CE3 1 ATOM 192 C CZ2 . TRP A 1 23 ? 43.606 27.333 41.109 1.00 12.35 ? 23 TRP A CZ2 1 ATOM 193 C CZ3 . TRP A 1 23 ? 41.856 27.173 42.789 1.00 10.64 ? 23 TRP A CZ3 1 ATOM 194 C CH2 . TRP A 1 23 ? 42.337 27.638 41.555 1.00 11.01 ? 23 TRP A CH2 1 ATOM 195 H H . TRP A 1 23 ? 46.063 22.514 44.215 1.00 20.00 ? 23 TRP A H 1 ATOM 196 H HE1 . TRP A 1 23 ? 46.255 26.227 40.996 1.00 20.00 ? 23 TRP A HE1 1 ATOM 197 N N . GLY A 1 24 ? 42.769 22.584 43.660 1.00 8.46 ? 24 GLY A N 1 ATOM 198 C CA . GLY A 1 24 ? 41.442 22.471 43.071 1.00 9.44 ? 24 GLY A CA 1 ATOM 199 C C . GLY A 1 24 ? 40.512 21.633 43.933 1.00 11.60 ? 24 GLY A C 1 ATOM 200 O O . GLY A 1 24 ? 39.290 21.792 43.886 1.00 11.97 ? 24 GLY A O 1 ATOM 201 H H . GLY A 1 24 ? 43.534 22.197 43.187 1.00 20.00 ? 24 GLY A H 1 ATOM 202 N N . GLU A 1 25 ? 41.106 20.785 44.767 1.00 9.98 ? 25 GLU A N 1 ATOM 203 C CA . GLU A 1 25 ? 40.354 19.907 45.648 1.00 12.79 ? 25 GLU A CA 1 ATOM 204 C C . GLU A 1 25 ? 39.744 20.611 46.865 1.00 13.07 ? 25 GLU A C 1 ATOM 205 O O . GLU A 1 25 ? 38.969 20.007 47.591 1.00 14.86 ? 25 GLU A O 1 ATOM 206 C CB . GLU A 1 25 ? 41.291 18.769 46.102 1.00 13.72 ? 25 GLU A CB 1 ATOM 207 C CG . GLU A 1 25 ? 41.601 17.825 44.971 1.00 14.16 ? 25 GLU A CG 1 ATOM 208 C CD . GLU A 1 25 ? 40.316 17.187 44.405 1.00 19.66 ? 25 GLU A CD 1 ATOM 209 O OE1 . GLU A 1 25 ? 39.834 17.603 43.320 1.00 18.32 ? 25 GLU A OE1 1 ATOM 210 O OE2 . GLU A 1 25 ? 39.767 16.259 45.061 1.00 22.84 ? 25 GLU A OE2 1 ATOM 211 H H . GLU A 1 25 ? 42.086 20.752 44.794 1.00 20.00 ? 25 GLU A H 1 ATOM 212 N N . TYR A 1 26 ? 40.101 21.878 47.075 1.00 12.14 ? 26 TYR A N 1 ATOM 213 C CA . TYR A 1 26 ? 39.648 22.658 48.228 1.00 14.02 ? 26 TYR A CA 1 ATOM 214 C C . TYR A 1 26 ? 38.743 23.835 47.874 1.00 15.11 ? 26 TYR A C 1 ATOM 215 O O . TYR A 1 26 ? 38.396 24.631 48.743 1.00 16.50 ? 26 TYR A O 1 ATOM 216 C CB . TYR A 1 26 ? 40.879 23.145 49.017 1.00 12.88 ? 26 TYR A CB 1 ATOM 217 C CG . TYR A 1 26 ? 41.687 21.968 49.514 1.00 13.32 ? 26 TYR A CG 1 ATOM 218 C CD1 . TYR A 1 26 ? 42.680 21.371 48.700 1.00 13.12 ? 26 TYR A CD1 1 ATOM 219 C CD2 . TYR A 1 26 ? 41.380 21.357 50.729 1.00 12.74 ? 26 TYR A CD2 1 ATOM 220 C CE1 . TYR A 1 26 ? 43.337 20.180 49.088 1.00 11.64 ? 26 TYR A CE1 1 ATOM 221 C CE2 . TYR A 1 26 ? 42.030 20.158 51.123 1.00 14.40 ? 26 TYR A CE2 1 ATOM 222 C CZ . TYR A 1 26 ? 43.000 19.575 50.293 1.00 14.97 ? 26 TYR A CZ 1 ATOM 223 O OH . TYR A 1 26 ? 43.581 18.358 50.648 1.00 16.58 ? 26 TYR A OH 1 ATOM 224 H H . TYR A 1 26 ? 40.694 22.311 46.427 1.00 20.00 ? 26 TYR A H 1 ATOM 225 H HH . TYR A 1 26 ? 44.241 18.105 50.000 1.00 20.00 ? 26 TYR A HH 1 ATOM 226 N N . LEU A 1 27 ? 38.329 23.903 46.616 1.00 14.03 ? 27 LEU A N 1 ATOM 227 C CA . LEU A 1 27 ? 37.501 24.999 46.143 1.00 16.10 ? 27 LEU A CA 1 ATOM 228 C C . LEU A 1 27 ? 36.016 24.811 46.386 1.00 14.67 ? 27 LEU A C 1 ATOM 229 O O . LEU A 1 27 ? 35.322 25.767 46.720 1.00 13.95 ? 27 LEU A O 1 ATOM 230 C CB . LEU A 1 27 ? 37.683 25.177 44.629 1.00 18.37 ? 27 LEU A CB 1 ATOM 231 C CG . LEU A 1 27 ? 38.435 26.358 44.028 1.00 24.28 ? 27 LEU A CG 1 ATOM 232 C CD1 . LEU A 1 27 ? 38.011 26.453 42.546 1.00 24.40 ? 27 LEU A CD1 1 ATOM 233 C CD2 . LEU A 1 27 ? 38.084 27.675 44.754 1.00 24.51 ? 27 LEU A CD2 1 ATOM 234 H H . LEU A 1 27 ? 38.599 23.203 45.985 1.00 20.00 ? 27 LEU A H 1 ATOM 235 N N . ALA A 1 28 ? 35.535 23.590 46.164 1.00 13.63 ? 28 ALA A N 1 ATOM 236 C CA . ALA A 1 28 ? 34.112 23.297 46.274 1.00 13.98 ? 28 ALA A CA 1 ATOM 237 C C . ALA A 1 28 ? 33.463 23.742 47.564 1.00 14.50 ? 28 ALA A C 1 ATOM 238 O O . ALA A 1 28 ? 32.341 24.219 47.533 1.00 15.66 ? 28 ALA A O 1 ATOM 239 C CB . ALA A 1 28 ? 33.838 21.823 46.011 1.00 15.93 ? 28 ALA A CB 1 ATOM 240 H H . ALA A 1 28 ? 36.165 22.883 45.954 1.00 20.00 ? 28 ALA A H 1 ATOM 241 N N . SER A 1 29 ? 34.170 23.633 48.687 1.00 14.81 ? 29 SER A N 1 ATOM 242 C CA . SER A 1 29 ? 33.630 24.046 49.990 1.00 15.38 ? 29 SER A CA 1 ATOM 243 C C . SER A 1 29 ? 33.213 25.509 50.023 1.00 15.66 ? 29 SER A C 1 ATOM 244 O O . SER A 1 29 ? 32.343 25.892 50.805 1.00 15.02 ? 29 SER A O 1 ATOM 245 C CB . SER A 1 29 ? 34.684 23.889 51.084 1.00 18.18 ? 29 SER A CB 1 ATOM 246 O OG . SER A 1 29 ? 35.290 22.629 50.999 1.00 26.39 ? 29 SER A OG 1 ATOM 247 H H . SER A 1 29 ? 35.078 23.270 48.640 1.00 20.00 ? 29 SER A H 1 ATOM 248 H HG . SER A 1 29 ? 34.630 21.940 51.113 1.00 20.00 ? 29 SER A HG 1 ATOM 249 N N . TYR A 1 30 ? 33.867 26.328 49.205 1.00 13.95 ? 30 TYR A N 1 ATOM 250 C CA . TYR A 1 30 ? 33.624 27.763 49.172 1.00 13.43 ? 30 TYR A CA 1 ATOM 251 C C . TYR A 1 30 ? 32.780 28.292 48.024 1.00 13.37 ? 30 TYR A C 1 ATOM 252 O O . TYR A 1 30 ? 32.618 29.503 47.911 1.00 15.09 ? 30 TYR A O 1 ATOM 253 C CB . TYR A 1 30 ? 34.959 28.502 49.185 1.00 12.90 ? 30 TYR A CB 1 ATOM 254 C CG . TYR A 1 30 ? 35.849 28.110 50.352 1.00 13.68 ? 30 TYR A CG 1 ATOM 255 C CD1 . TYR A 1 30 ? 37.063 27.457 50.133 1.00 13.68 ? 30 TYR A CD1 1 ATOM 256 C CD2 . TYR A 1 30 ? 35.483 28.405 51.673 1.00 13.16 ? 30 TYR A CD2 1 ATOM 257 C CE1 . TYR A 1 30 ? 37.899 27.109 51.197 1.00 16.27 ? 30 TYR A CE1 1 ATOM 258 C CE2 . TYR A 1 30 ? 36.307 28.063 52.746 1.00 15.03 ? 30 TYR A CE2 1 ATOM 259 C CZ . TYR A 1 30 ? 37.520 27.414 52.502 1.00 15.89 ? 30 TYR A CZ 1 ATOM 260 O OH . TYR A 1 30 ? 38.360 27.061 53.543 1.00 16.17 ? 30 TYR A OH 1 ATOM 261 H H . TYR A 1 30 ? 34.551 25.950 48.616 1.00 20.00 ? 30 TYR A H 1 ATOM 262 H HH . TYR A 1 30 ? 37.927 27.242 54.377 1.00 20.00 ? 30 TYR A HH 1 ATOM 263 N N . LEU A 1 31 ? 32.287 27.412 47.153 1.00 14.00 ? 31 LEU A N 1 ATOM 264 C CA . LEU A 1 31 ? 31.450 27.840 46.026 1.00 13.53 ? 31 LEU A CA 1 ATOM 265 C C . LEU A 1 31 ? 30.098 27.175 46.080 1.00 14.63 ? 31 LEU A C 1 ATOM 266 O O . LEU A 1 31 ? 29.980 26.026 46.491 1.00 14.67 ? 31 LEU A O 1 ATOM 267 C CB . LEU A 1 31 ? 32.094 27.475 44.688 1.00 14.42 ? 31 LEU A CB 1 ATOM 268 C CG . LEU A 1 31 ? 33.537 27.918 44.416 1.00 13.60 ? 31 LEU A CG 1 ATOM 269 C CD1 . LEU A 1 31 ? 33.916 27.429 43.029 1.00 15.45 ? 31 LEU A CD1 1 ATOM 270 C CD2 . LEU A 1 31 ? 33.711 29.418 44.514 1.00 14.84 ? 31 LEU A CD2 1 ATOM 271 H H . LEU A 1 31 ? 32.498 26.462 47.257 1.00 20.00 ? 31 LEU A H 1 ATOM 272 N N . SER A 1 32 ? 29.078 27.889 45.616 1.00 17.23 ? 32 SER A N 1 ATOM 273 C CA . SER A 1 32 ? 27.714 27.353 45.594 1.00 19.76 ? 32 SER A CA 1 ATOM 274 C C . SER A 1 32 ? 27.447 26.660 44.250 1.00 21.14 ? 32 SER A C 1 ATOM 275 O O . SER A 1 32 ? 26.307 26.309 43.944 1.00 25.47 ? 32 SER A O 1 ATOM 276 C CB . SER A 1 32 ? 26.670 28.460 45.891 1.00 17.12 ? 32 SER A CB 1 ATOM 277 O OG . SER A 1 32 ? 26.724 29.521 44.958 1.00 20.41 ? 32 SER A OG 1 ATOM 278 H H . SER A 1 32 ? 29.224 28.777 45.255 1.00 20.00 ? 32 SER A H 1 ATOM 279 H HG . SER A 1 32 ? 27.604 29.907 44.964 1.00 20.00 ? 32 SER A HG 1 ATOM 280 N N . ALA A 1 33 ? 28.512 26.411 43.487 1.00 20.58 ? 33 ALA A N 1 ATOM 281 C CA . ALA A 1 33 ? 28.408 25.754 42.181 1.00 20.48 ? 33 ALA A CA 1 ATOM 282 C C . ALA A 1 33 ? 29.152 24.410 42.189 1.00 20.80 ? 33 ALA A C 1 ATOM 283 O O . ALA A 1 33 ? 29.979 24.152 43.065 1.00 21.56 ? 33 ALA A O 1 ATOM 284 C CB . ALA A 1 33 ? 28.990 26.668 41.082 1.00 19.04 ? 33 ALA A CB 1 ATOM 285 H H . ALA A 1 33 ? 29.402 26.674 43.797 1.00 20.00 ? 33 ALA A H 1 ATOM 286 N N . THR A 1 34 ? 28.843 23.550 41.225 1.00 18.38 ? 34 THR A N 1 ATOM 287 C CA . THR A 1 34 ? 29.525 22.268 41.108 1.00 18.19 ? 34 THR A CA 1 ATOM 288 C C . THR A 1 34 ? 30.948 22.484 40.572 1.00 15.84 ? 34 THR A C 1 ATOM 289 O O . THR A 1 34 ? 31.118 23.193 39.603 1.00 16.36 ? 34 THR A O 1 ATOM 290 C CB . THR A 1 34 ? 28.785 21.407 40.106 1.00 19.50 ? 34 THR A CB 1 ATOM 291 O OG1 . THR A 1 34 ? 27.437 21.268 40.562 1.00 22.89 ? 34 THR A OG1 1 ATOM 292 C CG2 . THR A 1 34 ? 29.456 20.031 39.953 1.00 18.15 ? 34 THR A CG2 1 ATOM 293 H H . THR A 1 34 ? 28.135 23.779 40.588 1.00 20.00 ? 34 THR A H 1 ATOM 294 H HG1 . THR A 1 34 ? 27.433 20.852 41.428 1.00 20.00 ? 34 THR A HG1 1 ATOM 295 N N . VAL A 1 35 ? 31.956 21.900 41.210 1.00 14.33 ? 35 VAL A N 1 ATOM 296 C CA . VAL A 1 35 ? 33.326 22.046 40.721 1.00 13.73 ? 35 VAL A CA 1 ATOM 297 C C . VAL A 1 35 ? 33.780 20.730 40.072 1.00 13.87 ? 35 VAL A C 1 ATOM 298 O O . VAL A 1 35 ? 33.635 19.649 40.662 1.00 14.29 ? 35 VAL A O 1 ATOM 299 C CB . VAL A 1 35 ? 34.294 22.446 41.855 1.00 13.54 ? 35 VAL A CB 1 ATOM 300 C CG1 . VAL A 1 35 ? 35.750 22.400 41.369 1.00 14.23 ? 35 VAL A CG1 1 ATOM 301 C CG2 . VAL A 1 35 ? 33.957 23.819 42.362 1.00 14.16 ? 35 VAL A CG2 1 ATOM 302 H H . VAL A 1 35 ? 31.785 21.382 42.015 1.00 20.00 ? 35 VAL A H 1 ATOM 303 N N . VAL A 1 36 ? 34.275 20.826 38.840 1.00 11.01 ? 36 VAL A N 1 ATOM 304 C CA . VAL A 1 36 ? 34.771 19.674 38.102 1.00 11.51 ? 36 VAL A CA 1 ATOM 305 C C . VAL A 1 36 ? 36.281 19.875 37.907 1.00 11.72 ? 36 VAL A C 1 ATOM 306 O O . VAL A 1 36 ? 36.707 20.763 37.147 1.00 11.01 ? 36 VAL A O 1 ATOM 307 C CB . VAL A 1 36 ? 34.076 19.536 36.746 1.00 11.19 ? 36 VAL A CB 1 ATOM 308 C CG1 . VAL A 1 36 ? 34.700 18.378 35.949 1.00 12.65 ? 36 VAL A CG1 1 ATOM 309 C CG2 . VAL A 1 36 ? 32.598 19.284 36.970 1.00 11.94 ? 36 VAL A CG2 1 ATOM 310 H H . VAL A 1 36 ? 34.317 21.698 38.420 1.00 20.00 ? 36 VAL A H 1 ATOM 311 N N . ASN A 1 37 ? 37.068 19.094 38.649 1.00 11.09 ? 37 ASN A N 1 ATOM 312 C CA . ASN A 1 37 ? 38.519 19.191 38.595 1.00 11.73 ? 37 ASN A CA 1 ATOM 313 C C . ASN A 1 37 ? 39.128 18.362 37.477 1.00 12.06 ? 37 ASN A C 1 ATOM 314 O O . ASN A 1 37 ? 39.363 17.173 37.655 1.00 13.06 ? 37 ASN A O 1 ATOM 315 C CB . ASN A 1 37 ? 39.153 18.779 39.933 1.00 11.43 ? 37 ASN A CB 1 ATOM 316 C CG . ASN A 1 37 ? 40.614 19.217 40.038 1.00 12.40 ? 37 ASN A CG 1 ATOM 317 O OD1 . ASN A 1 37 ? 41.200 19.653 39.051 1.00 12.00 ? 37 ASN A OD1 1 ATOM 318 N ND2 . ASN A 1 37 ? 41.181 19.153 41.235 1.00 11.09 ? 37 ASN A ND2 1 ATOM 319 H H . ASN A 1 37 ? 36.657 18.455 39.255 1.00 20.00 ? 37 ASN A H 1 ATOM 320 H HD21 . ASN A 1 37 ? 40.639 18.848 41.982 1.00 0.00 ? 37 ASN A HD21 1 ATOM 321 H HD22 . ASN A 1 37 ? 42.121 19.413 41.317 1.00 0.00 ? 37 ASN A HD22 1 ATOM 322 N N . ASP A 1 38 ? 39.399 19.001 36.342 1.00 10.83 ? 38 ASP A N 1 ATOM 323 C CA . ASP A 1 38 ? 40.018 18.328 35.202 1.00 10.32 ? 38 ASP A CA 1 ATOM 324 C C . ASP A 1 38 ? 41.529 18.549 35.100 1.00 10.07 ? 38 ASP A C 1 ATOM 325 O O . ASP A 1 38 ? 42.108 18.348 34.031 1.00 11.04 ? 38 ASP A O 1 ATOM 326 C CB . ASP A 1 38 ? 39.355 18.748 33.885 1.00 11.04 ? 38 ASP A CB 1 ATOM 327 C CG . ASP A 1 38 ? 37.996 18.131 33.705 1.00 14.98 ? 38 ASP A CG 1 ATOM 328 O OD1 . ASP A 1 38 ? 37.763 17.047 34.261 1.00 16.96 ? 38 ASP A OD1 1 ATOM 329 O OD2 . ASP A 1 38 ? 37.137 18.726 33.031 1.00 16.28 ? 38 ASP A OD2 1 ATOM 330 H H . ASP A 1 38 ? 39.168 19.950 36.265 1.00 20.00 ? 38 ASP A H 1 ATOM 331 N N . ALA A 1 39 ? 42.159 19.015 36.175 1.00 10.30 ? 39 ALA A N 1 ATOM 332 C CA . ALA A 1 39 ? 43.626 19.190 36.171 1.00 10.99 ? 39 ALA A CA 1 ATOM 333 C C . ALA A 1 39 ? 44.274 17.784 36.214 1.00 12.51 ? 39 ALA A C 1 ATOM 334 O O . ALA A 1 39 ? 43.715 16.851 36.804 1.00 12.54 ? 39 ALA A O 1 ATOM 335 C CB . ALA A 1 39 ? 44.091 20.010 37.366 1.00 9.96 ? 39 ALA A CB 1 ATOM 336 H H . ALA A 1 39 ? 41.644 19.230 36.979 1.00 20.00 ? 39 ALA A H 1 ATOM 337 N N . VAL A 1 40 ? 45.442 17.642 35.583 1.00 11.42 ? 40 VAL A N 1 ATOM 338 C CA . VAL A 1 40 ? 46.147 16.365 35.515 1.00 12.91 ? 40 VAL A CA 1 ATOM 339 C C . VAL A 1 40 ? 47.627 16.608 35.739 1.00 12.85 ? 40 VAL A C 1 ATOM 340 O O . VAL A 1 40 ? 48.224 17.501 35.121 1.00 13.07 ? 40 VAL A O 1 ATOM 341 C CB . VAL A 1 40 ? 45.977 15.708 34.121 1.00 14.21 ? 40 VAL A CB 1 ATOM 342 C CG1 . VAL A 1 40 ? 46.495 14.278 34.131 1.00 16.20 ? 40 VAL A CG1 1 ATOM 343 C CG2 . VAL A 1 40 ? 44.542 15.695 33.734 1.00 19.23 ? 40 VAL A CG2 1 ATOM 344 H H . VAL A 1 40 ? 45.842 18.422 35.149 1.00 20.00 ? 40 VAL A H 1 ATOM 345 N N . ALA A 1 41 ? 48.228 15.773 36.580 1.00 11.56 ? 41 ALA A N 1 ATOM 346 C CA . ALA A 1 41 ? 49.641 15.910 36.888 1.00 11.88 ? 41 ALA A CA 1 ATOM 347 C C . ALA A 1 41 ? 50.514 15.783 35.641 1.00 11.94 ? 41 ALA A C 1 ATOM 348 O O . ALA A 1 41 ? 50.221 14.958 34.749 1.00 11.77 ? 41 ALA A O 1 ATOM 349 C CB . ALA A 1 41 ? 50.061 14.867 37.939 1.00 11.69 ? 41 ALA A CB 1 ATOM 350 H H . ALA A 1 41 ? 47.716 15.054 36.986 1.00 20.00 ? 41 ALA A H 1 ATOM 351 N N . GLY A 1 42 ? 51.533 16.643 35.577 1.00 11.49 ? 42 GLY A N 1 ATOM 352 C CA . GLY A 1 42 ? 52.509 16.624 34.497 1.00 13.18 ? 42 GLY A CA 1 ATOM 353 C C . GLY A 1 42 ? 52.174 17.315 33.194 1.00 12.76 ? 42 GLY A C 1 ATOM 354 O O . GLY A 1 42 ? 52.968 17.272 32.268 1.00 15.07 ? 42 GLY A O 1 ATOM 355 H H . GLY A 1 42 ? 51.593 17.327 36.270 1.00 20.00 ? 42 GLY A H 1 ATOM 356 N N . ARG A 1 43 ? 50.995 17.912 33.093 1.00 11.56 ? 43 ARG A N 1 ATOM 357 C CA . ARG A 1 43 ? 50.610 18.584 31.859 1.00 10.59 ? 43 ARG A CA 1 ATOM 358 C C . ARG A 1 43 ? 51.059 20.042 31.776 1.00 11.42 ? 43 ARG A C 1 ATOM 359 O O . ARG A 1 43 ? 51.215 20.725 32.804 1.00 11.15 ? 43 ARG A O 1 ATOM 360 C CB . ARG A 1 43 ? 49.082 18.533 31.687 1.00 10.07 ? 43 ARG A CB 1 ATOM 361 C CG . ARG A 1 43 ? 48.571 17.280 31.018 1.00 11.39 ? 43 ARG A CG 1 ATOM 362 C CD . ARG A 1 43 ? 49.033 15.999 31.735 1.00 12.23 ? 43 ARG A CD 1 ATOM 363 N NE . ARG A 1 43 ? 48.641 14.796 30.989 1.00 14.99 ? 43 ARG A NE 1 ATOM 364 C CZ . ARG A 1 43 ? 48.964 13.544 31.333 1.00 18.86 ? 43 ARG A CZ 1 ATOM 365 N NH1 . ARG A 1 43 ? 49.689 13.300 32.423 1.00 17.85 ? 43 ARG A NH1 1 ATOM 366 N NH2 . ARG A 1 43 ? 48.579 12.528 30.570 1.00 17.53 ? 43 ARG A NH2 1 ATOM 367 H H . ARG A 1 43 ? 50.375 17.896 33.851 1.00 20.00 ? 43 ARG A H 1 ATOM 368 H HE . ARG A 1 43 ? 48.097 14.936 30.207 1.00 20.00 ? 43 ARG A HE 1 ATOM 369 H HH11 . ARG A 1 43 ? 50.001 14.060 32.992 1.00 0.00 ? 43 ARG A HH11 1 ATOM 370 H HH12 . ARG A 1 43 ? 49.928 12.362 32.670 1.00 0.00 ? 43 ARG A HH12 1 ATOM 371 H HH21 . ARG A 1 43 ? 48.050 12.699 29.739 1.00 0.00 ? 43 ARG A HH21 1 ATOM 372 H HH22 . ARG A 1 43 ? 48.823 11.592 30.826 1.00 0.00 ? 43 ARG A HH22 1 ATOM 373 N N . SER A 1 44 ? 51.269 20.497 30.541 1.00 10.20 ? 44 SER A N 1 ATOM 374 C CA . SER A 1 44 ? 51.624 21.888 30.224 1.00 10.97 ? 44 SER A CA 1 ATOM 375 C C . SER A 1 44 ? 50.481 22.393 29.310 1.00 11.16 ? 44 SER A C 1 ATOM 376 O O . SER A 1 44 ? 49.579 21.601 28.960 1.00 11.41 ? 44 SER A O 1 ATOM 377 C CB . SER A 1 44 ? 52.952 21.926 29.453 1.00 10.90 ? 44 SER A CB 1 ATOM 378 O OG . SER A 1 44 ? 52.813 21.269 28.202 1.00 11.01 ? 44 SER A OG 1 ATOM 379 H H . SER A 1 44 ? 51.169 19.869 29.796 1.00 20.00 ? 44 SER A H 1 ATOM 380 H HG . SER A 1 44 ? 52.544 20.359 28.346 1.00 20.00 ? 44 SER A HG 1 ATOM 381 N N . ALA A 1 45 ? 50.491 23.672 28.917 1.00 9.76 ? 45 ALA A N 1 ATOM 382 C CA . ALA A 1 45 ? 49.447 24.180 27.993 1.00 11.23 ? 45 ALA A CA 1 ATOM 383 C C . ALA A 1 45 ? 49.513 23.362 26.670 1.00 11.22 ? 45 ALA A C 1 ATOM 384 O O . ALA A 1 45 ? 48.483 23.017 26.081 1.00 10.51 ? 45 ALA A O 1 ATOM 385 C CB . ALA A 1 45 ? 49.647 25.688 27.699 1.00 11.11 ? 45 ALA A CB 1 ATOM 386 H H . ALA A 1 45 ? 51.156 24.270 29.278 1.00 20.00 ? 45 ALA A H 1 ATOM 387 N N . ARG A 1 46 ? 50.731 23.003 26.252 1.00 10.59 ? 46 ARG A N 1 ATOM 388 C CA . ARG A 1 46 ? 50.913 22.207 25.037 1.00 10.54 ? 46 ARG A CA 1 ATOM 389 C C . ARG A 1 46 ? 50.349 20.776 25.147 1.00 11.43 ? 46 ARG A C 1 ATOM 390 O O . ARG A 1 46 ? 49.529 20.366 24.321 1.00 10.14 ? 46 ARG A O 1 ATOM 391 C CB . ARG A 1 46 ? 52.393 22.124 24.666 1.00 10.79 ? 46 ARG A CB 1 ATOM 392 C CG . ARG A 1 46 ? 52.717 21.093 23.570 1.00 10.21 ? 46 ARG A CG 1 ATOM 393 C CD . ARG A 1 46 ? 54.233 20.962 23.434 1.00 11.91 ? 46 ARG A CD 1 ATOM 394 N NE . ARG A 1 46 ? 54.655 19.861 22.583 1.00 11.34 ? 46 ARG A NE 1 ATOM 395 C CZ . ARG A 1 46 ? 55.897 19.380 22.550 1.00 13.45 ? 46 ARG A CZ 1 ATOM 396 N NH1 . ARG A 1 46 ? 56.846 19.913 23.317 1.00 12.37 ? 46 ARG A NH1 1 ATOM 397 N NH2 . ARG A 1 46 ? 56.182 18.330 21.787 1.00 13.12 ? 46 ARG A NH2 1 ATOM 398 H H . ARG A 1 46 ? 51.517 23.270 26.775 1.00 20.00 ? 46 ARG A H 1 ATOM 399 H HE . ARG A 1 46 ? 53.994 19.429 22.022 1.00 20.00 ? 46 ARG A HE 1 ATOM 400 H HH11 . ARG A 1 46 ? 56.638 20.676 23.927 1.00 0.00 ? 46 ARG A HH11 1 ATOM 401 H HH12 . ARG A 1 46 ? 57.771 19.559 23.275 1.00 0.00 ? 46 ARG A HH12 1 ATOM 402 H HH21 . ARG A 1 46 ? 55.466 17.908 21.238 1.00 0.00 ? 46 ARG A HH21 1 ATOM 403 H HH22 . ARG A 1 46 ? 57.107 17.959 21.763 1.00 0.00 ? 46 ARG A HH22 1 ATOM 404 N N . SER A 1 47 ? 50.800 20.007 26.146 1.00 10.35 ? 47 SER A N 1 ATOM 405 C CA . SER A 1 47 ? 50.325 18.635 26.241 1.00 10.02 ? 47 SER A CA 1 ATOM 406 C C . SER A 1 47 ? 48.843 18.539 26.599 1.00 10.50 ? 47 SER A C 1 ATOM 407 O O . SER A 1 47 ? 48.162 17.637 26.112 1.00 10.85 ? 47 SER A O 1 ATOM 408 C CB . SER A 1 47 ? 51.203 17.769 27.139 1.00 9.96 ? 47 SER A CB 1 ATOM 409 O OG . SER A 1 47 ? 51.162 18.221 28.457 1.00 11.68 ? 47 SER A OG 1 ATOM 410 H H . SER A 1 47 ? 51.427 20.367 26.808 1.00 20.00 ? 47 SER A H 1 ATOM 411 H HG . SER A 1 47 ? 50.254 18.180 28.765 1.00 20.00 ? 47 SER A HG 1 ATOM 412 N N . TYR A 1 48 ? 48.326 19.491 27.382 1.00 9.35 ? 48 TYR A N 1 ATOM 413 C CA . TYR A 1 48 ? 46.894 19.477 27.743 1.00 9.48 ? 48 TYR A CA 1 ATOM 414 C C . TYR A 1 48 ? 46.087 19.677 26.446 1.00 11.07 ? 48 TYR A C 1 ATOM 415 O O . TYR A 1 48 ? 45.036 19.051 26.252 1.00 11.92 ? 48 TYR A O 1 ATOM 416 C CB . TYR A 1 48 ? 46.568 20.595 28.730 1.00 10.37 ? 48 TYR A CB 1 ATOM 417 C CG . TYR A 1 48 ? 45.287 20.394 29.508 1.00 10.33 ? 48 TYR A CG 1 ATOM 418 C CD1 . TYR A 1 48 ? 45.269 19.603 30.665 1.00 9.96 ? 48 TYR A CD1 1 ATOM 419 C CD2 . TYR A 1 48 ? 44.109 21.044 29.138 1.00 9.83 ? 48 TYR A CD2 1 ATOM 420 C CE1 . TYR A 1 48 ? 44.111 19.476 31.435 1.00 8.67 ? 48 TYR A CE1 1 ATOM 421 C CE2 . TYR A 1 48 ? 42.943 20.918 29.907 1.00 9.47 ? 48 TYR A CE2 1 ATOM 422 C CZ . TYR A 1 48 ? 42.957 20.138 31.049 1.00 8.89 ? 48 TYR A CZ 1 ATOM 423 O OH . TYR A 1 48 ? 41.812 20.027 31.802 1.00 10.47 ? 48 TYR A OH 1 ATOM 424 H H . TYR A 1 48 ? 48.905 20.208 27.705 1.00 20.00 ? 48 TYR A H 1 ATOM 425 H HH . TYR A 1 48 ? 41.987 19.483 32.561 1.00 20.00 ? 48 TYR A HH 1 ATOM 426 N N . THR A 1 49 ? 46.581 20.556 25.566 1.00 9.72 ? 49 THR A N 1 ATOM 427 C CA . THR A 1 49 ? 45.919 20.788 24.284 1.00 11.58 ? 49 THR A CA 1 ATOM 428 C C . THR A 1 49 ? 46.028 19.539 23.383 1.00 10.26 ? 49 THR A C 1 ATOM 429 O O . THR A 1 49 ? 45.021 19.048 22.874 1.00 10.77 ? 49 THR A O 1 ATOM 430 C CB . THR A 1 49 ? 46.539 22.012 23.537 1.00 12.34 ? 49 THR A CB 1 ATOM 431 O OG1 . THR A 1 49 ? 46.380 23.197 24.336 1.00 10.29 ? 49 THR A OG1 1 ATOM 432 C CG2 . THR A 1 49 ? 45.849 22.224 22.170 1.00 11.23 ? 49 THR A CG2 1 ATOM 433 H H . THR A 1 49 ? 47.399 21.052 25.783 1.00 20.00 ? 49 THR A H 1 ATOM 434 H HG1 . THR A 1 49 ? 45.443 23.377 24.427 1.00 20.00 ? 49 THR A HG1 1 ATOM 435 N N . ARG A 1 50 ? 47.244 19.013 23.236 1.00 10.66 ? 50 ARG A N 1 ATOM 436 C CA . ARG A 1 50 ? 47.497 17.835 22.396 1.00 10.96 ? 50 ARG A CA 1 ATOM 437 C C . ARG A 1 50 ? 46.688 16.609 22.817 1.00 11.96 ? 50 ARG A C 1 ATOM 438 O O . ARG A 1 50 ? 46.239 15.838 21.979 1.00 12.91 ? 50 ARG A O 1 ATOM 439 C CB . ARG A 1 50 ? 48.987 17.481 22.386 1.00 11.92 ? 50 ARG A CB 1 ATOM 440 C CG . ARG A 1 50 ? 49.328 16.276 21.467 1.00 14.09 ? 50 ARG A CG 1 ATOM 441 C CD . ARG A 1 50 ? 50.477 15.410 22.024 1.00 19.05 ? 50 ARG A CD 1 ATOM 442 N NE . ARG A 1 50 ? 51.591 16.266 22.267 1.00 21.43 ? 50 ARG A NE 1 ATOM 443 C CZ . ARG A 1 50 ? 52.342 16.323 23.362 1.00 17.47 ? 50 ARG A CZ 1 ATOM 444 N NH1 . ARG A 1 50 ? 52.178 15.534 24.407 1.00 15.61 ? 50 ARG A NH1 1 ATOM 445 N NH2 . ARG A 1 50 ? 53.193 17.314 23.422 1.00 17.88 ? 50 ARG A NH2 1 ATOM 446 H H . ARG A 1 50 ? 47.987 19.423 23.712 1.00 20.00 ? 50 ARG A H 1 ATOM 447 H HE . ARG A 1 50 ? 51.836 16.881 21.546 1.00 20.00 ? 50 ARG A HE 1 ATOM 448 H HH11 . ARG A 1 50 ? 51.457 14.842 24.403 1.00 0.00 ? 50 ARG A HH11 1 ATOM 449 H HH12 . ARG A 1 50 ? 52.778 15.629 25.202 1.00 0.00 ? 50 ARG A HH12 1 ATOM 450 H HH21 . ARG A 1 50 ? 53.258 17.981 22.678 1.00 0.00 ? 50 ARG A HH21 1 ATOM 451 H HH22 . ARG A 1 50 ? 53.788 17.373 24.196 1.00 0.00 ? 50 ARG A HH22 1 ATOM 452 N N . GLU A 1 51 ? 46.504 16.426 24.118 1.00 11.88 ? 51 GLU A N 1 ATOM 453 C CA . GLU A 1 51 ? 45.763 15.297 24.609 1.00 11.53 ? 51 GLU A CA 1 ATOM 454 C C . GLU A 1 51 ? 44.253 15.458 24.480 1.00 11.63 ? 51 GLU A C 1 ATOM 455 O O . GLU A 1 51 ? 43.499 14.561 24.865 1.00 13.02 ? 51 GLU A O 1 ATOM 456 C CB . GLU A 1 51 ? 46.168 15.017 26.046 1.00 13.42 ? 51 GLU A CB 1 ATOM 457 C CG . GLU A 1 51 ? 47.613 14.604 26.132 1.00 14.32 ? 51 GLU A CG 1 ATOM 458 C CD . GLU A 1 51 ? 48.083 14.407 27.550 1.00 15.62 ? 51 GLU A CD 1 ATOM 459 O OE1 . GLU A 1 51 ? 47.312 14.669 28.489 1.00 17.93 ? 51 GLU A OE1 1 ATOM 460 O OE2 . GLU A 1 51 ? 49.239 13.997 27.722 1.00 18.12 ? 51 GLU A OE2 1 ATOM 461 H H . GLU A 1 51 ? 46.857 17.085 24.746 1.00 20.00 ? 51 GLU A H 1 ATOM 462 N N . GLY A 1 52 ? 43.821 16.578 23.905 1.00 10.95 ? 52 GLY A N 1 ATOM 463 C CA . GLY A 1 52 ? 42.402 16.830 23.716 1.00 12.35 ? 52 GLY A CA 1 ATOM 464 C C . GLY A 1 52 ? 41.644 17.236 24.977 1.00 13.29 ? 52 GLY A C 1 ATOM 465 O O . GLY A 1 52 ? 40.418 17.206 24.971 1.00 13.48 ? 52 GLY A O 1 ATOM 466 H H . GLY A 1 52 ? 44.465 17.251 23.615 1.00 20.00 ? 52 GLY A H 1 ATOM 467 N N . ARG A 1 53 ? 42.355 17.695 26.010 1.00 10.92 ? 53 ARG A N 1 ATOM 468 C CA . ARG A 1 53 ? 41.705 18.037 27.272 1.00 12.01 ? 53 ARG A CA 1 ATOM 469 C C . ARG A 1 53 ? 40.950 19.361 27.315 1.00 12.22 ? 53 ARG A C 1 ATOM 470 O O . ARG A 1 53 ? 39.944 19.482 28.025 1.00 12.43 ? 53 ARG A O 1 ATOM 471 C CB . ARG A 1 53 ? 42.682 17.872 28.415 1.00 11.69 ? 53 ARG A CB 1 ATOM 472 C CG . ARG A 1 53 ? 43.209 16.433 28.503 1.00 12.49 ? 53 ARG A CG 1 ATOM 473 C CD . ARG A 1 53 ? 44.234 16.283 29.627 1.00 14.81 ? 53 ARG A CD 1 ATOM 474 N NE . ARG A 1 53 ? 44.836 14.958 29.662 1.00 17.01 ? 53 ARG A NE 1 ATOM 475 C CZ . ARG A 1 53 ? 44.257 13.881 30.179 1.00 17.98 ? 53 ARG A CZ 1 ATOM 476 N NH1 . ARG A 1 53 ? 43.050 13.963 30.717 1.00 19.69 ? 53 ARG A NH1 1 ATOM 477 N NH2 . ARG A 1 53 ? 44.896 12.723 30.163 1.00 20.15 ? 53 ARG A NH2 1 ATOM 478 H H . ARG A 1 53 ? 43.325 17.790 25.920 1.00 20.00 ? 53 ARG A H 1 ATOM 479 H HE . ARG A 1 53 ? 45.707 14.857 29.309 1.00 20.00 ? 53 ARG A HE 1 ATOM 480 H HH11 . ARG A 1 53 ? 42.568 14.839 30.742 1.00 0.00 ? 53 ARG A HH11 1 ATOM 481 H HH12 . ARG A 1 53 ? 42.621 13.148 31.104 1.00 0.00 ? 53 ARG A HH12 1 ATOM 482 H HH21 . ARG A 1 53 ? 45.812 12.663 29.766 1.00 0.00 ? 53 ARG A HH21 1 ATOM 483 H HH22 . ARG A 1 53 ? 44.463 11.910 30.550 1.00 0.00 ? 53 ARG A HH22 1 ATOM 484 N N . PHE A 1 54 ? 41.416 20.347 26.551 1.00 10.99 ? 54 PHE A N 1 ATOM 485 C CA . PHE A 1 54 ? 40.698 21.599 26.444 1.00 11.03 ? 54 PHE A CA 1 ATOM 486 C C . PHE A 1 54 ? 39.465 21.280 25.592 1.00 10.72 ? 54 PHE A C 1 ATOM 487 O O . PHE A 1 54 ? 38.375 21.736 25.886 1.00 11.59 ? 54 PHE A O 1 ATOM 488 C CB . PHE A 1 54 ? 41.544 22.660 25.742 1.00 11.10 ? 54 PHE A CB 1 ATOM 489 C CG . PHE A 1 54 ? 42.512 23.353 26.643 1.00 11.71 ? 54 PHE A CG 1 ATOM 490 C CD1 . PHE A 1 54 ? 43.830 23.566 26.237 1.00 11.73 ? 54 PHE A CD1 1 ATOM 491 C CD2 . PHE A 1 54 ? 42.099 23.849 27.879 1.00 12.21 ? 54 PHE A CD2 1 ATOM 492 C CE1 . PHE A 1 54 ? 44.726 24.271 27.050 1.00 12.73 ? 54 PHE A CE1 1 ATOM 493 C CE2 . PHE A 1 54 ? 42.992 24.555 28.697 1.00 12.88 ? 54 PHE A CE2 1 ATOM 494 C CZ . PHE A 1 54 ? 44.306 24.765 28.278 1.00 11.29 ? 54 PHE A CZ 1 ATOM 495 H H . PHE A 1 54 ? 42.244 20.218 26.043 1.00 20.00 ? 54 PHE A H 1 ATOM 496 N N . GLU A 1 55 ? 39.645 20.462 24.558 1.00 11.44 ? 55 GLU A N 1 ATOM 497 C CA . GLU A 1 55 ? 38.532 20.083 23.686 1.00 12.48 ? 55 GLU A CA 1 ATOM 498 C C . GLU A 1 55 ? 37.395 19.374 24.469 1.00 11.48 ? 55 GLU A C 1 ATOM 499 O O . GLU A 1 55 ? 36.207 19.640 24.254 1.00 12.08 ? 55 GLU A O 1 ATOM 500 C CB . GLU A 1 55 ? 39.038 19.187 22.550 1.00 11.91 ? 55 GLU A CB 1 ATOM 501 C CG . GLU A 1 55 ? 37.922 18.757 21.607 1.00 12.82 ? 55 GLU A CG 1 ATOM 502 C CD . GLU A 1 55 ? 38.417 17.992 20.392 1.00 12.85 ? 55 GLU A CD 1 ATOM 503 O OE1 . GLU A 1 55 ? 37.640 17.174 19.860 1.00 12.38 ? 55 GLU A OE1 1 ATOM 504 O OE2 . GLU A 1 55 ? 39.565 18.214 19.950 1.00 14.36 ? 55 GLU A OE2 1 ATOM 505 H H . GLU A 1 55 ? 40.537 20.102 24.382 1.00 20.00 ? 55 GLU A H 1 ATOM 506 N N . ASN A 1 56 ? 37.775 18.488 25.388 1.00 12.39 ? 56 ASN A N 1 ATOM 507 C CA . ASN A 1 56 ? 36.814 17.773 26.218 1.00 14.02 ? 56 ASN A CA 1 ATOM 508 C C . ASN A 1 56 ? 35.992 18.743 27.039 1.00 13.81 ? 56 ASN A C 1 ATOM 509 O O . ASN A 1 56 ? 34.777 18.601 27.110 1.00 15.33 ? 56 ASN A O 1 ATOM 510 C CB . ASN A 1 56 ? 37.512 16.794 27.147 1.00 18.47 ? 56 ASN A CB 1 ATOM 511 C CG . ASN A 1 56 ? 38.121 15.639 26.405 1.00 24.36 ? 56 ASN A CG 1 ATOM 512 O OD1 . ASN A 1 56 ? 37.629 15.232 25.330 1.00 29.10 ? 56 ASN A OD1 1 ATOM 513 N ND2 . ASN A 1 56 ? 39.211 15.086 26.965 1.00 28.76 ? 56 ASN A ND2 1 ATOM 514 H H . ASN A 1 56 ? 38.730 18.315 25.508 1.00 20.00 ? 56 ASN A H 1 ATOM 515 H HD21 . ASN A 1 56 ? 39.542 15.462 27.807 1.00 0.00 ? 56 ASN A HD21 1 ATOM 516 H HD22 . ASN A 1 56 ? 39.630 14.328 26.508 1.00 0.00 ? 56 ASN A HD22 1 ATOM 517 N N . ILE A 1 57 ? 36.647 19.721 27.661 1.00 11.19 ? 57 ILE A N 1 ATOM 518 C CA . ILE A 1 57 ? 35.909 20.717 28.421 1.00 12.00 ? 57 ILE A CA 1 ATOM 519 C C . ILE A 1 57 ? 34.963 21.483 27.468 1.00 13.24 ? 57 ILE A C 1 ATOM 520 O O . ILE A 1 57 ? 33.797 21.702 27.820 1.00 13.24 ? 57 ILE A O 1 ATOM 521 C CB . ILE A 1 57 ? 36.866 21.709 29.132 1.00 10.87 ? 57 ILE A CB 1 ATOM 522 C CG1 . ILE A 1 57 ? 37.635 20.966 30.220 1.00 11.57 ? 57 ILE A CG1 1 ATOM 523 C CG2 . ILE A 1 57 ? 36.080 22.901 29.726 1.00 9.73 ? 57 ILE A CG2 1 ATOM 524 C CD1 . ILE A 1 57 ? 38.780 21.784 30.799 1.00 12.21 ? 57 ILE A CD1 1 ATOM 525 H H . ILE A 1 57 ? 37.625 19.773 27.603 1.00 20.00 ? 57 ILE A H 1 ATOM 526 N N . ALA A 1 58 ? 35.457 21.857 26.272 1.00 12.79 ? 58 ALA A N 1 ATOM 527 C CA . ALA A 1 58 ? 34.659 22.603 25.284 1.00 12.85 ? 58 ALA A CA 1 ATOM 528 C C . ALA A 1 58 ? 33.364 21.847 24.938 1.00 14.21 ? 58 ALA A C 1 ATOM 529 O O . ALA A 1 58 ? 32.298 22.444 24.850 1.00 14.42 ? 58 ALA A O 1 ATOM 530 C CB . ALA A 1 58 ? 35.481 22.878 24.012 1.00 13.61 ? 58 ALA A CB 1 ATOM 531 H H . ALA A 1 58 ? 36.376 21.610 26.049 1.00 20.00 ? 58 ALA A H 1 ATOM 532 N N . ASP A 1 59 ? 33.451 20.526 24.812 1.00 15.26 ? 59 ASP A N 1 ATOM 533 C CA . ASP A 1 59 ? 32.284 19.710 24.498 1.00 16.25 ? 59 ASP A CA 1 ATOM 534 C C . ASP A 1 59 ? 31.162 19.820 25.521 1.00 18.09 ? 59 ASP A C 1 ATOM 535 O O . ASP A 1 59 ? 30.000 19.964 25.151 1.00 18.82 ? 59 ASP A O 1 ATOM 536 C CB . ASP A 1 59 ? 32.668 18.232 24.389 1.00 17.69 ? 59 ASP A CB 1 ATOM 537 C CG . ASP A 1 59 ? 33.402 17.905 23.094 1.00 17.61 ? 59 ASP A CG 1 ATOM 538 O OD1 . ASP A 1 59 ? 33.084 18.495 22.049 1.00 21.16 ? 59 ASP A OD1 1 ATOM 539 O OD2 . ASP A 1 59 ? 34.269 17.024 23.118 1.00 20.03 ? 59 ASP A OD2 1 ATOM 540 H H . ASP A 1 59 ? 34.315 20.088 24.947 1.00 20.00 ? 59 ASP A H 1 ATOM 541 N N . VAL A 1 60 ? 31.512 19.800 26.803 1.00 16.66 ? 60 VAL A N 1 ATOM 542 C CA . VAL A 1 60 ? 30.504 19.826 27.861 1.00 17.52 ? 60 VAL A CA 1 ATOM 543 C C . VAL A 1 60 ? 30.137 21.170 28.513 1.00 17.06 ? 60 VAL A C 1 ATOM 544 O O . VAL A 1 60 ? 29.061 21.303 29.101 1.00 17.53 ? 60 VAL A O 1 ATOM 545 C CB . VAL A 1 60 ? 30.858 18.820 28.950 1.00 15.85 ? 60 VAL A CB 1 ATOM 546 C CG1 . VAL A 1 60 ? 30.915 17.411 28.346 1.00 17.92 ? 60 VAL A CG1 1 ATOM 547 C CG2 . VAL A 1 60 ? 32.173 19.194 29.579 1.00 16.22 ? 60 VAL A CG2 1 ATOM 548 H H . VAL A 1 60 ? 32.463 19.769 27.036 1.00 20.00 ? 60 VAL A H 1 ATOM 549 N N . VAL A 1 61 ? 31.002 22.168 28.377 1.00 16.57 ? 61 VAL A N 1 ATOM 550 C CA . VAL A 1 61 ? 30.738 23.466 28.969 1.00 16.74 ? 61 VAL A CA 1 ATOM 551 C C . VAL A 1 61 ? 29.537 24.128 28.288 1.00 19.09 ? 61 VAL A C 1 ATOM 552 O O . VAL A 1 61 ? 29.291 23.933 27.082 1.00 19.24 ? 61 VAL A O 1 ATOM 553 C CB . VAL A 1 61 ? 31.978 24.370 28.891 1.00 18.00 ? 61 VAL A CB 1 ATOM 554 C CG1 . VAL A 1 61 ? 32.194 24.880 27.472 1.00 17.98 ? 61 VAL A CG1 1 ATOM 555 C CG2 . VAL A 1 61 ? 31.851 25.519 29.895 1.00 18.94 ? 61 VAL A CG2 1 ATOM 556 H H . VAL A 1 61 ? 31.815 22.027 27.854 1.00 20.00 ? 61 VAL A H 1 ATOM 557 N N . THR A 1 62 ? 28.716 24.799 29.089 1.00 19.06 ? 62 THR A N 1 ATOM 558 C CA . THR A 1 62 ? 27.549 25.504 28.570 1.00 18.48 ? 62 THR A CA 1 ATOM 559 C C . THR A 1 62 ? 27.591 26.963 29.025 1.00 18.29 ? 62 THR A C 1 ATOM 560 O O . THR A 1 62 ? 28.443 27.371 29.849 1.00 16.35 ? 62 THR A O 1 ATOM 561 C CB . THR A 1 62 ? 26.210 24.855 29.012 1.00 20.38 ? 62 THR A CB 1 ATOM 562 O OG1 . THR A 1 62 ? 26.108 24.857 30.440 1.00 20.93 ? 62 THR A OG1 1 ATOM 563 C CG2 . THR A 1 62 ? 26.117 23.435 28.518 1.00 22.83 ? 62 THR A CG2 1 ATOM 564 H H . THR A 1 62 ? 28.920 24.843 30.038 1.00 20.00 ? 62 THR A H 1 ATOM 565 H HG1 . THR A 1 62 ? 26.131 25.762 30.762 1.00 20.00 ? 62 THR A HG1 1 ATOM 566 N N . ALA A 1 63 ? 26.688 27.753 28.447 1.00 15.90 ? 63 ALA A N 1 ATOM 567 C CA . ALA A 1 63 ? 26.594 29.169 28.750 1.00 17.10 ? 63 ALA A CA 1 ATOM 568 C C . ALA A 1 63 ? 26.396 29.370 30.248 1.00 17.06 ? 63 ALA A C 1 ATOM 569 O O . ALA A 1 63 ? 25.571 28.705 30.869 1.00 17.71 ? 63 ALA A O 1 ATOM 570 C CB . ALA A 1 63 ? 25.428 29.800 27.953 1.00 16.45 ? 63 ALA A CB 1 ATOM 571 H H . ALA A 1 63 ? 26.062 27.368 27.800 1.00 20.00 ? 63 ALA A H 1 ATOM 572 N N . GLY A 1 64 ? 27.196 30.244 30.840 1.00 17.77 ? 64 GLY A N 1 ATOM 573 C CA . GLY A 1 64 ? 27.047 30.488 32.264 1.00 17.71 ? 64 GLY A CA 1 ATOM 574 C C . GLY A 1 64 ? 28.030 29.735 33.136 1.00 17.21 ? 64 GLY A C 1 ATOM 575 O O . GLY A 1 64 ? 28.202 30.068 34.310 1.00 19.55 ? 64 GLY A O 1 ATOM 576 H H . GLY A 1 64 ? 27.885 30.715 30.328 1.00 20.00 ? 64 GLY A H 1 ATOM 577 N N . ASP A 1 65 ? 28.651 28.699 32.589 1.00 14.06 ? 65 ASP A N 1 ATOM 578 C CA . ASP A 1 65 ? 29.641 27.963 33.356 1.00 13.37 ? 65 ASP A CA 1 ATOM 579 C C . ASP A 1 65 ? 30.943 28.747 33.391 1.00 12.97 ? 65 ASP A C 1 ATOM 580 O O . ASP A 1 65 ? 31.132 29.681 32.599 1.00 13.22 ? 65 ASP A O 1 ATOM 581 C CB . ASP A 1 65 ? 29.921 26.612 32.706 1.00 14.08 ? 65 ASP A CB 1 ATOM 582 C CG . ASP A 1 65 ? 28.752 25.646 32.820 1.00 15.18 ? 65 ASP A CG 1 ATOM 583 O OD1 . ASP A 1 65 ? 28.733 24.700 32.005 1.00 17.01 ? 65 ASP A OD1 1 ATOM 584 O OD2 . ASP A 1 65 ? 27.896 25.813 33.716 1.00 13.48 ? 65 ASP A OD2 1 ATOM 585 H H . ASP A 1 65 ? 28.436 28.423 31.676 1.00 20.00 ? 65 ASP A H 1 ATOM 586 N N . TYR A 1 66 ? 31.833 28.370 34.307 1.00 11.77 ? 66 TYR A N 1 ATOM 587 C CA . TYR A 1 66 ? 33.149 29.006 34.422 1.00 11.04 ? 66 TYR A CA 1 ATOM 588 C C . TYR A 1 66 ? 34.235 27.982 34.070 1.00 10.64 ? 66 TYR A C 1 ATOM 589 O O . TYR A 1 66 ? 34.044 26.772 34.249 1.00 11.80 ? 66 TYR A O 1 ATOM 590 C CB . TYR A 1 66 ? 33.416 29.494 35.860 1.00 12.42 ? 66 TYR A CB 1 ATOM 591 C CG . TYR A 1 66 ? 32.497 30.578 36.388 1.00 14.27 ? 66 TYR A CG 1 ATOM 592 C CD1 . TYR A 1 66 ? 31.254 30.263 36.925 1.00 16.34 ? 66 TYR A CD1 1 ATOM 593 C CD2 . TYR A 1 66 ? 32.873 31.917 36.341 1.00 17.54 ? 66 TYR A CD2 1 ATOM 594 C CE1 . TYR A 1 66 ? 30.391 31.260 37.400 1.00 18.45 ? 66 TYR A CE1 1 ATOM 595 C CE2 . TYR A 1 66 ? 32.023 32.929 36.816 1.00 17.53 ? 66 TYR A CE2 1 ATOM 596 C CZ . TYR A 1 66 ? 30.784 32.592 37.338 1.00 19.55 ? 66 TYR A CZ 1 ATOM 597 O OH . TYR A 1 66 ? 29.932 33.597 37.763 1.00 21.61 ? 66 TYR A OH 1 ATOM 598 H H . TYR A 1 66 ? 31.611 27.648 34.924 1.00 20.00 ? 66 TYR A H 1 ATOM 599 H HH . TYR A 1 66 ? 30.350 34.451 37.627 1.00 20.00 ? 66 TYR A HH 1 ATOM 600 N N . VAL A 1 67 ? 35.377 28.471 33.592 1.00 9.51 ? 67 VAL A N 1 ATOM 601 C CA . VAL A 1 67 ? 36.520 27.613 33.291 1.00 9.27 ? 67 VAL A CA 1 ATOM 602 C C . VAL A 1 67 ? 37.738 28.366 33.831 1.00 9.25 ? 67 VAL A C 1 ATOM 603 O O . VAL A 1 67 ? 37.971 29.512 33.462 1.00 10.55 ? 67 VAL A O 1 ATOM 604 C CB . VAL A 1 67 ? 36.740 27.331 31.762 1.00 10.29 ? 67 VAL A CB 1 ATOM 605 C CG1 . VAL A 1 67 ? 37.947 26.375 31.588 1.00 10.46 ? 67 VAL A CG1 1 ATOM 606 C CG2 . VAL A 1 67 ? 35.473 26.703 31.120 1.00 10.76 ? 67 VAL A CG2 1 ATOM 607 H H . VAL A 1 67 ? 35.461 29.435 33.448 1.00 20.00 ? 67 VAL A H 1 ATOM 608 N N . ILE A 1 68 ? 38.449 27.758 34.775 1.00 10.21 ? 68 ILE A N 1 ATOM 609 C CA . ILE A 1 68 ? 39.645 28.380 35.351 1.00 10.10 ? 68 ILE A CA 1 ATOM 610 C C . ILE A 1 68 ? 40.813 27.579 34.783 1.00 10.24 ? 68 ILE A C 1 ATOM 611 O O . ILE A 1 68 ? 40.864 26.357 34.931 1.00 11.11 ? 68 ILE A O 1 ATOM 612 C CB . ILE A 1 68 ? 39.647 28.297 36.900 1.00 10.86 ? 68 ILE A CB 1 ATOM 613 C CG1 . ILE A 1 68 ? 38.434 29.042 37.472 1.00 12.46 ? 68 ILE A CG1 1 ATOM 614 C CG2 . ILE A 1 68 ? 40.979 28.804 37.454 1.00 9.72 ? 68 ILE A CG2 1 ATOM 615 C CD1 . ILE A 1 68 ? 38.158 28.709 38.927 1.00 12.88 ? 68 ILE A CD1 1 ATOM 616 H H . ILE A 1 68 ? 38.177 26.889 35.106 1.00 20.00 ? 68 ILE A H 1 ATOM 617 N N . VAL A 1 69 ? 41.740 28.277 34.139 1.00 9.56 ? 69 VAL A N 1 ATOM 618 C CA . VAL A 1 69 ? 42.891 27.656 33.491 1.00 8.92 ? 69 VAL A CA 1 ATOM 619 C C . VAL A 1 69 ? 44.168 28.186 34.151 1.00 10.43 ? 69 VAL A C 1 ATOM 620 O O . VAL A 1 69 ? 44.404 29.407 34.193 1.00 11.31 ? 69 VAL A O 1 ATOM 621 C CB . VAL A 1 69 ? 42.915 28.034 31.976 1.00 10.49 ? 69 VAL A CB 1 ATOM 622 C CG1 . VAL A 1 69 ? 44.140 27.427 31.271 1.00 9.76 ? 69 VAL A CG1 1 ATOM 623 C CG2 . VAL A 1 69 ? 41.603 27.641 31.306 1.00 10.46 ? 69 VAL A CG2 1 ATOM 624 H H . VAL A 1 69 ? 41.651 29.250 34.096 1.00 20.00 ? 69 VAL A H 1 ATOM 625 N N . GLU A 1 70 ? 45.004 27.271 34.632 1.00 8.85 ? 70 GLU A N 1 ATOM 626 C CA . GLU A 1 70 ? 46.232 27.681 35.285 1.00 9.95 ? 70 GLU A CA 1 ATOM 627 C C . GLU A 1 70 ? 47.392 26.736 34.944 1.00 10.34 ? 70 GLU A C 1 ATOM 628 O O . GLU A 1 70 ? 47.410 25.591 35.384 1.00 9.11 ? 70 GLU A O 1 ATOM 629 C CB . GLU A 1 70 ? 46.012 27.731 36.801 1.00 9.91 ? 70 GLU A CB 1 ATOM 630 C CG . GLU A 1 70 ? 47.241 28.219 37.586 1.00 9.81 ? 70 GLU A CG 1 ATOM 631 C CD . GLU A 1 70 ? 46.966 28.250 39.068 1.00 11.27 ? 70 GLU A CD 1 ATOM 632 O OE1 . GLU A 1 70 ? 47.457 27.345 39.773 1.00 13.17 ? 70 GLU A OE1 1 ATOM 633 O OE2 . GLU A 1 70 ? 46.206 29.135 39.520 1.00 10.42 ? 70 GLU A OE2 1 ATOM 634 H H . GLU A 1 70 ? 44.809 26.320 34.521 1.00 20.00 ? 70 GLU A H 1 ATOM 635 N N . PHE A 1 71 ? 48.299 27.201 34.077 1.00 9.98 ? 71 PHE A N 1 ATOM 636 C CA . PHE A 1 71 ? 49.477 26.412 33.690 1.00 9.30 ? 71 PHE A CA 1 ATOM 637 C C . PHE A 1 71 ? 50.744 27.238 33.852 1.00 9.51 ? 71 PHE A C 1 ATOM 638 O O . PHE A 1 71 ? 50.672 28.423 34.149 1.00 11.62 ? 71 PHE A O 1 ATOM 639 C CB . PHE A 1 71 ? 49.352 25.914 32.251 1.00 9.13 ? 71 PHE A CB 1 ATOM 640 C CG . PHE A 1 71 ? 48.338 24.822 32.090 1.00 10.26 ? 71 PHE A CG 1 ATOM 641 C CD1 . PHE A 1 71 ? 47.057 25.103 31.614 1.00 11.42 ? 71 PHE A CD1 1 ATOM 642 C CD2 . PHE A 1 71 ? 48.658 23.507 32.434 1.00 11.75 ? 71 PHE A CD2 1 ATOM 643 C CE1 . PHE A 1 71 ? 46.103 24.102 31.479 1.00 10.10 ? 71 PHE A CE1 1 ATOM 644 C CE2 . PHE A 1 71 ? 47.701 22.469 32.307 1.00 11.05 ? 71 PHE A CE2 1 ATOM 645 C CZ . PHE A 1 71 ? 46.423 22.781 31.826 1.00 12.91 ? 71 PHE A CZ 1 ATOM 646 H H . PHE A 1 71 ? 48.169 28.082 33.679 1.00 20.00 ? 71 PHE A H 1 ATOM 647 N N . GLY A 1 72 ? 51.896 26.583 33.734 1.00 10.10 ? 72 GLY A N 1 ATOM 648 C CA . GLY A 1 72 ? 53.166 27.278 33.833 1.00 9.29 ? 72 GLY A CA 1 ATOM 649 C C . GLY A 1 72 ? 54.289 26.421 34.380 1.00 9.39 ? 72 GLY A C 1 ATOM 650 O O . GLY A 1 72 ? 55.409 26.481 33.881 1.00 9.84 ? 72 GLY A O 1 ATOM 651 H H . GLY A 1 72 ? 51.891 25.617 33.577 1.00 20.00 ? 72 GLY A H 1 ATOM 652 N N . HIS A 1 73 ? 53.985 25.622 35.403 1.00 10.06 ? 73 HIS A N 1 ATOM 653 C CA . HIS A 1 73 ? 54.997 24.778 36.037 1.00 10.09 ? 73 HIS A CA 1 ATOM 654 C C . HIS A 1 73 ? 55.746 23.871 35.083 1.00 11.07 ? 73 HIS A C 1 ATOM 655 O O . HIS A 1 73 ? 56.960 23.719 35.197 1.00 13.44 ? 73 HIS A O 1 ATOM 656 C CB . HIS A 1 73 ? 54.391 23.920 37.160 1.00 11.66 ? 73 HIS A CB 1 ATOM 657 C CG . HIS A 1 73 ? 54.233 24.642 38.471 1.00 12.45 ? 73 HIS A CG 1 ATOM 658 N ND1 . HIS A 1 73 ? 55.276 24.814 39.360 1.00 14.46 ? 73 HIS A ND1 1 ATOM 659 C CD2 . HIS A 1 73 ? 53.148 25.212 39.052 1.00 11.61 ? 73 HIS A CD2 1 ATOM 660 C CE1 . HIS A 1 73 ? 54.840 25.459 40.430 1.00 13.24 ? 73 HIS A CE1 1 ATOM 661 N NE2 . HIS A 1 73 ? 53.552 25.709 40.266 1.00 11.33 ? 73 HIS A NE2 1 ATOM 662 H H . HIS A 1 73 ? 53.062 25.584 35.725 1.00 20.00 ? 73 HIS A H 1 ATOM 663 H HD1 . HIS A 1 73 ? 56.195 24.506 39.237 1.00 20.00 ? 73 HIS A HD1 1 ATOM 664 H HE2 . HIS A 1 73 ? 52.984 26.184 40.904 1.00 20.00 ? 73 HIS A HE2 1 ATOM 665 N N . ASN A 1 74 ? 55.036 23.281 34.129 1.00 10.27 ? 74 ASN A N 1 ATOM 666 C CA . ASN A 1 74 ? 55.641 22.323 33.191 1.00 10.46 ? 74 ASN A CA 1 ATOM 667 C C . ASN A 1 74 ? 55.873 22.847 31.777 1.00 11.25 ? 74 ASN A C 1 ATOM 668 O O . ASN A 1 74 ? 56.211 22.072 30.878 1.00 12.87 ? 74 ASN A O 1 ATOM 669 C CB . ASN A 1 74 ? 54.735 21.094 33.108 1.00 11.34 ? 74 ASN A CB 1 ATOM 670 C CG . ASN A 1 74 ? 54.630 20.372 34.433 1.00 12.93 ? 74 ASN A CG 1 ATOM 671 O OD1 . ASN A 1 74 ? 55.644 20.150 35.085 1.00 16.99 ? 74 ASN A OD1 1 ATOM 672 N ND2 . ASN A 1 74 ? 53.414 20.015 34.841 1.00 11.83 ? 74 ASN A ND2 1 ATOM 673 H H . ASN A 1 74 ? 54.092 23.507 34.039 1.00 20.00 ? 74 ASN A H 1 ATOM 674 H HD21 . ASN A 1 74 ? 52.637 20.223 34.284 1.00 0.00 ? 74 ASN A HD21 1 ATOM 675 H HD22 . ASN A 1 74 ? 53.356 19.552 35.697 1.00 0.00 ? 74 ASN A HD22 1 ATOM 676 N N . ASP A 1 75 ? 55.768 24.162 31.610 1.00 11.48 ? 75 ASP A N 1 ATOM 677 C CA . ASP A 1 75 ? 55.863 24.798 30.305 1.00 11.90 ? 75 ASP A CA 1 ATOM 678 C C . ASP A 1 75 ? 57.227 25.237 29.795 1.00 12.39 ? 75 ASP A C 1 ATOM 679 O O . ASP A 1 75 ? 57.372 25.563 28.612 1.00 12.15 ? 75 ASP A O 1 ATOM 680 C CB . ASP A 1 75 ? 54.840 25.943 30.253 1.00 11.04 ? 75 ASP A CB 1 ATOM 681 C CG . ASP A 1 75 ? 53.400 25.419 30.270 1.00 11.41 ? 75 ASP A CG 1 ATOM 682 O OD1 . ASP A 1 75 ? 52.766 25.283 29.198 1.00 11.17 ? 75 ASP A OD1 1 ATOM 683 O OD2 . ASP A 1 75 ? 52.924 25.065 31.365 1.00 12.28 ? 75 ASP A OD2 1 ATOM 684 H H . ASP A 1 75 ? 55.626 24.727 32.398 1.00 20.00 ? 75 ASP A H 1 ATOM 685 N N . GLY A 1 76 ? 58.209 25.241 30.692 1.00 12.52 ? 76 GLY A N 1 ATOM 686 C CA . GLY A 1 76 ? 59.552 25.633 30.318 1.00 14.23 ? 76 GLY A CA 1 ATOM 687 C C . GLY A 1 76 ? 60.386 24.464 29.826 1.00 15.54 ? 76 GLY A C 1 ATOM 688 O O . GLY A 1 76 ? 59.867 23.393 29.465 1.00 14.48 ? 76 GLY A O 1 ATOM 689 H H . GLY A 1 76 ? 58.015 24.980 31.615 1.00 20.00 ? 76 GLY A H 1 ATOM 690 N N . GLY A 1 77 ? 61.698 24.657 29.878 1.00 16.00 ? 77 GLY A N 1 ATOM 691 C CA . GLY A 1 77 ? 62.603 23.629 29.432 1.00 17.56 ? 77 GLY A CA 1 ATOM 692 C C . GLY A 1 77 ? 63.146 23.876 28.035 1.00 18.87 ? 77 GLY A C 1 ATOM 693 O O . GLY A 1 77 ? 62.882 24.890 27.400 1.00 17.56 ? 77 GLY A O 1 ATOM 694 H H . GLY A 1 77 ? 62.054 25.503 30.221 1.00 20.00 ? 77 GLY A H 1 ATOM 695 N N . SER A 1 78 ? 63.893 22.889 27.551 1.00 21.28 ? 78 SER A N 1 ATOM 696 C CA . SER A 1 78 ? 64.539 22.960 26.260 1.00 23.54 ? 78 SER A CA 1 ATOM 697 C C . SER A 1 78 ? 63.866 22.078 25.229 1.00 23.20 ? 78 SER A C 1 ATOM 698 O O . SER A 1 78 ? 63.655 20.878 25.443 1.00 23.57 ? 78 SER A O 1 ATOM 699 C CB . SER A 1 78 ? 65.997 22.528 26.414 1.00 26.07 ? 78 SER A CB 1 ATOM 700 O OG . SER A 1 78 ? 66.626 22.460 25.144 1.00 30.76 ? 78 SER A OG 1 ATOM 701 H H . SER A 1 78 ? 64.013 22.079 28.090 1.00 20.00 ? 78 SER A H 1 ATOM 702 H HG . SER A 1 78 ? 67.537 22.180 25.254 1.00 20.00 ? 78 SER A HG 1 ATOM 703 N N . LEU A 1 79 ? 63.572 22.670 24.083 1.00 23.25 ? 79 LEU A N 1 ATOM 704 C CA . LEU A 1 79 ? 62.940 21.926 23.012 1.00 24.22 ? 79 LEU A CA 1 ATOM 705 C C . LEU A 1 79 ? 63.961 20.985 22.356 1.00 25.66 ? 79 LEU A C 1 ATOM 706 O O . LEU A 1 79 ? 63.568 20.001 21.726 1.00 26.13 ? 79 LEU A O 1 ATOM 707 C CB . LEU A 1 79 ? 62.336 22.908 22.008 1.00 23.77 ? 79 LEU A CB 1 ATOM 708 C CG . LEU A 1 79 ? 60.948 22.594 21.469 1.00 24.09 ? 79 LEU A CG 1 ATOM 709 C CD1 . LEU A 1 79 ? 60.052 21.965 22.526 1.00 22.43 ? 79 LEU A CD1 1 ATOM 710 C CD2 . LEU A 1 79 ? 60.358 23.882 20.875 1.00 23.39 ? 79 LEU A CD2 1 ATOM 711 H H . LEU A 1 79 ? 63.786 23.618 23.954 1.00 20.00 ? 79 LEU A H 1 ATOM 712 N N . SER A 1 80 ? 65.259 21.252 22.589 1.00 26.32 ? 80 SER A N 1 ATOM 713 C CA . SER A 1 80 ? 66.391 20.455 22.060 1.00 27.96 ? 80 SER A CA 1 ATOM 714 C C . SER A 1 80 ? 66.281 18.986 22.433 1.00 27.31 ? 80 SER A C 1 ATOM 715 O O . SER A 1 80 ? 66.708 18.126 21.670 1.00 28.69 ? 80 SER A O 1 ATOM 716 C CB . SER A 1 80 ? 67.724 20.975 22.600 1.00 27.89 ? 80 SER A CB 1 ATOM 717 O OG . SER A 1 80 ? 67.748 22.391 22.607 1.00 34.13 ? 80 SER A OG 1 ATOM 718 H H . SER A 1 80 ? 65.473 22.031 23.141 1.00 20.00 ? 80 SER A H 1 ATOM 719 H HG . SER A 1 80 ? 67.622 22.728 21.717 1.00 20.00 ? 80 SER A HG 1 ATOM 720 N N . THR A 1 81 ? 65.757 18.724 23.634 1.00 25.94 ? 81 THR A N 1 ATOM 721 C CA . THR A 1 81 ? 65.533 17.374 24.161 1.00 25.88 ? 81 THR A CA 1 ATOM 722 C C . THR A 1 81 ? 64.059 17.404 24.552 1.00 24.39 ? 81 THR A C 1 ATOM 723 O O . THR A 1 81 ? 63.716 17.426 25.728 1.00 26.43 ? 81 THR A O 1 ATOM 724 C CB . THR A 1 81 ? 66.393 17.099 25.425 1.00 28.28 ? 81 THR A CB 1 ATOM 725 O OG1 . THR A 1 81 ? 66.161 18.140 26.400 1.00 30.56 ? 81 THR A OG1 1 ATOM 726 C CG2 . THR A 1 81 ? 67.893 17.058 25.064 1.00 28.34 ? 81 THR A CG2 1 ATOM 727 H H . THR A 1 81 ? 65.507 19.486 24.198 1.00 20.00 ? 81 THR A H 1 ATOM 728 H HG1 . THR A 1 81 ? 66.692 17.983 27.184 1.00 20.00 ? 81 THR A HG1 1 ATOM 729 N N . ASP A 1 82 ? 63.200 17.352 23.546 1.00 20.98 ? 82 ASP A N 1 ATOM 730 C CA . ASP A 1 82 ? 61.756 17.457 23.721 1.00 19.18 ? 82 ASP A CA 1 ATOM 731 C C . ASP A 1 82 ? 61.107 16.464 24.661 1.00 17.77 ? 82 ASP A C 1 ATOM 732 O O . ASP A 1 82 ? 61.053 15.289 24.379 1.00 18.18 ? 82 ASP A O 1 ATOM 733 C CB . ASP A 1 82 ? 61.078 17.415 22.337 1.00 17.92 ? 82 ASP A CB 1 ATOM 734 C CG . ASP A 1 82 ? 59.629 17.915 22.357 1.00 17.69 ? 82 ASP A CG 1 ATOM 735 O OD1 . ASP A 1 82 ? 59.157 18.378 23.414 1.00 17.06 ? 82 ASP A OD1 1 ATOM 736 O OD2 . ASP A 1 82 ? 58.979 17.876 21.285 1.00 16.68 ? 82 ASP A OD2 1 ATOM 737 H H . ASP A 1 82 ? 63.555 17.236 22.639 1.00 20.00 ? 82 ASP A H 1 ATOM 738 N N . ASN A 1 83 ? 60.585 16.959 25.779 1.00 16.93 ? 83 ASN A N 1 ATOM 739 C CA . ASN A 1 83 ? 59.885 16.123 26.744 1.00 16.10 ? 83 ASN A CA 1 ATOM 740 C C . ASN A 1 83 ? 58.348 16.077 26.488 1.00 15.30 ? 83 ASN A C 1 ATOM 741 O O . ASN A 1 83 ? 57.587 15.465 27.250 1.00 16.44 ? 83 ASN A O 1 ATOM 742 C CB . ASN A 1 83 ? 60.196 16.594 28.173 1.00 16.09 ? 83 ASN A CB 1 ATOM 743 C CG . ASN A 1 83 ? 59.583 17.945 28.502 1.00 16.50 ? 83 ASN A CG 1 ATOM 744 O OD1 . ASN A 1 83 ? 58.892 18.570 27.693 1.00 13.91 ? 83 ASN A OD1 1 ATOM 745 N ND2 . ASN A 1 83 ? 59.837 18.401 29.713 1.00 18.17 ? 83 ASN A ND2 1 ATOM 746 H H . ASN A 1 83 ? 60.679 17.917 25.959 1.00 0.00 ? 83 ASN A H 1 ATOM 747 H HD21 . ASN A 1 83 ? 60.387 17.854 30.312 1.00 0.00 ? 83 ASN A HD21 1 ATOM 748 H HD22 . ASN A 1 83 ? 59.465 19.269 29.961 1.00 0.00 ? 83 ASN A HD22 1 ATOM 749 N N . GLY A 1 84 ? 57.911 16.715 25.409 1.00 14.65 ? 84 GLY A N 1 ATOM 750 C CA . GLY A 1 84 ? 56.498 16.744 25.067 1.00 15.29 ? 84 GLY A CA 1 ATOM 751 C C . GLY A 1 84 ? 55.678 17.790 25.814 1.00 13.69 ? 84 GLY A C 1 ATOM 752 O O . GLY A 1 84 ? 54.483 17.908 25.583 1.00 14.80 ? 84 GLY A O 1 ATOM 753 H H . GLY A 1 84 ? 58.561 17.166 24.847 1.00 20.00 ? 84 GLY A H 1 ATOM 754 N N . ARG A 1 85 ? 56.310 18.539 26.712 1.00 13.91 ? 85 ARG A N 1 ATOM 755 C CA . ARG A 1 85 ? 55.614 19.563 27.499 1.00 14.20 ? 85 ARG A CA 1 ATOM 756 C C . ARG A 1 85 ? 55.970 20.991 27.141 1.00 13.56 ? 85 ARG A C 1 ATOM 757 O O . ARG A 1 85 ? 55.118 21.872 27.171 1.00 13.23 ? 85 ARG A O 1 ATOM 758 C CB . ARG A 1 85 ? 55.899 19.395 28.984 1.00 17.09 ? 85 ARG A CB 1 ATOM 759 C CG . ARG A 1 85 ? 54.898 18.565 29.686 1.00 24.37 ? 85 ARG A CG 1 ATOM 760 C CD . ARG A 1 85 ? 55.080 17.106 29.364 1.00 30.81 ? 85 ARG A CD 1 ATOM 761 N NE . ARG A 1 85 ? 55.027 16.377 30.626 1.00 37.96 ? 85 ARG A NE 1 ATOM 762 C CZ . ARG A 1 85 ? 56.085 16.120 31.385 1.00 38.56 ? 85 ARG A CZ 1 ATOM 763 N NH1 . ARG A 1 85 ? 57.294 16.490 30.985 1.00 40.87 ? 85 ARG A NH1 1 ATOM 764 N NH2 . ARG A 1 85 ? 55.912 15.688 32.629 1.00 40.58 ? 85 ARG A NH2 1 ATOM 765 H H . ARG A 1 85 ? 57.258 18.386 26.838 1.00 20.00 ? 85 ARG A H 1 ATOM 766 H HE . ARG A 1 85 ? 54.156 16.046 30.931 1.00 20.00 ? 85 ARG A HE 1 ATOM 767 H HH11 . ARG A 1 85 ? 57.420 16.962 30.113 1.00 0.00 ? 85 ARG A HH11 1 ATOM 768 H HH12 . ARG A 1 85 ? 58.089 16.294 31.560 1.00 0.00 ? 85 ARG A HH12 1 ATOM 769 H HH21 . ARG A 1 85 ? 54.988 15.562 32.990 1.00 0.00 ? 85 ARG A HH21 1 ATOM 770 H HH22 . ARG A 1 85 ? 56.707 15.495 33.205 1.00 0.00 ? 85 ARG A HH22 1 ATOM 771 N N . THR A 1 86 ? 57.252 21.216 26.869 1.00 12.20 ? 86 THR A N 1 ATOM 772 C CA . THR A 1 86 ? 57.775 22.536 26.550 1.00 11.78 ? 86 THR A CA 1 ATOM 773 C C . THR A 1 86 ? 57.054 23.246 25.407 1.00 12.05 ? 86 THR A C 1 ATOM 774 O O . THR A 1 86 ? 56.892 22.681 24.319 1.00 13.05 ? 86 THR A O 1 ATOM 775 C CB . THR A 1 86 ? 59.280 22.430 26.207 1.00 11.17 ? 86 THR A CB 1 ATOM 776 O OG1 . THR A 1 86 ? 59.937 21.696 27.250 1.00 12.08 ? 86 THR A OG1 1 ATOM 777 C CG2 . THR A 1 86 ? 59.905 23.825 26.057 1.00 10.21 ? 86 THR A CG2 1 ATOM 778 H H . THR A 1 86 ? 57.870 20.455 26.881 1.00 20.00 ? 86 THR A H 1 ATOM 779 H HG1 . THR A 1 86 ? 60.885 21.678 27.101 1.00 20.00 ? 86 THR A HG1 1 ATOM 780 N N . ASP A 1 87 ? 56.608 24.477 25.657 1.00 12.45 ? 87 ASP A N 1 ATOM 781 C CA . ASP A 1 87 ? 55.944 25.264 24.619 1.00 12.52 ? 87 ASP A CA 1 ATOM 782 C C . ASP A 1 87 ? 56.983 25.934 23.719 1.00 14.51 ? 87 ASP A C 1 ATOM 783 O O . ASP A 1 87 ? 58.177 26.014 24.060 1.00 13.99 ? 87 ASP A O 1 ATOM 784 C CB . ASP A 1 87 ? 55.083 26.368 25.236 1.00 13.79 ? 87 ASP A CB 1 ATOM 785 C CG . ASP A 1 87 ? 54.073 25.828 26.237 1.00 16.70 ? 87 ASP A CG 1 ATOM 786 O OD1 . ASP A 1 87 ? 54.122 26.298 27.378 1.00 16.43 ? 87 ASP A OD1 1 ATOM 787 O OD2 . ASP A 1 87 ? 53.275 24.919 25.891 1.00 16.88 ? 87 ASP A OD2 1 ATOM 788 H H . ASP A 1 87 ? 56.731 24.861 26.551 1.00 20.00 ? 87 ASP A H 1 ATOM 789 N N . CYS A 1 88 ? 56.521 26.454 22.583 1.00 14.00 ? 88 CYS A N 1 ATOM 790 C CA . CYS A 1 88 ? 57.411 27.161 21.676 1.00 14.35 ? 88 CYS A CA 1 ATOM 791 C C . CYS A 1 88 ? 57.725 28.506 22.353 1.00 14.24 ? 88 CYS A C 1 ATOM 792 O O . CYS A 1 88 ? 56.869 29.039 23.063 1.00 14.85 ? 88 CYS A O 1 ATOM 793 C CB . CYS A 1 88 ? 56.697 27.376 20.339 1.00 14.95 ? 88 CYS A CB 1 ATOM 794 S SG . CYS A 1 88 ? 57.734 28.146 19.070 1.00 15.14 ? 88 CYS A SG 1 ATOM 795 H H . CYS A 1 88 ? 55.578 26.348 22.361 1.00 20.00 ? 88 CYS A H 1 ATOM 796 N N . SER A 1 89 ? 58.948 29.032 22.194 1.00 14.34 ? 89 SER A N 1 ATOM 797 C CA . SER A 1 89 ? 59.297 30.324 22.807 1.00 14.60 ? 89 SER A CA 1 ATOM 798 C C . SER A 1 89 ? 58.560 31.494 22.138 1.00 15.53 ? 89 SER A C 1 ATOM 799 O O . SER A 1 89 ? 58.264 31.456 20.940 1.00 16.49 ? 89 SER A O 1 ATOM 800 C CB . SER A 1 89 ? 60.809 30.584 22.727 1.00 13.84 ? 89 SER A CB 1 ATOM 801 O OG . SER A 1 89 ? 61.504 29.736 23.609 1.00 20.45 ? 89 SER A OG 1 ATOM 802 H H . SER A 1 89 ? 59.615 28.551 21.664 1.00 20.00 ? 89 SER A H 1 ATOM 803 H HG . SER A 1 89 ? 61.336 28.820 23.374 1.00 20.00 ? 89 SER A HG 1 ATOM 804 N N . GLY A 1 90 ? 58.278 32.537 22.908 1.00 15.64 ? 90 GLY A N 1 ATOM 805 C CA . GLY A 1 90 ? 57.596 33.678 22.346 1.00 15.88 ? 90 GLY A CA 1 ATOM 806 C C . GLY A 1 90 ? 56.285 33.982 23.038 1.00 16.30 ? 90 GLY A C 1 ATOM 807 O O . GLY A 1 90 ? 55.847 33.255 23.932 1.00 16.03 ? 90 GLY A O 1 ATOM 808 H H . GLY A 1 90 ? 58.531 32.536 23.848 1.00 20.00 ? 90 GLY A H 1 ATOM 809 N N . THR A 1 91 ? 55.666 35.084 22.630 1.00 17.02 ? 91 THR A N 1 ATOM 810 C CA . THR A 1 91 ? 54.400 35.520 23.221 1.00 19.17 ? 91 THR A CA 1 ATOM 811 C C . THR A 1 91 ? 53.243 35.625 22.244 1.00 19.01 ? 91 THR A C 1 ATOM 812 O O . THR A 1 91 ? 52.122 35.909 22.667 1.00 20.78 ? 91 THR A O 1 ATOM 813 C CB . THR A 1 91 ? 54.540 36.895 23.911 1.00 19.27 ? 91 THR A CB 1 ATOM 814 O OG1 . THR A 1 91 ? 54.916 37.880 22.939 1.00 20.61 ? 91 THR A OG1 1 ATOM 815 C CG2 . THR A 1 91 ? 55.602 36.823 25.012 1.00 20.37 ? 91 THR A CG2 1 ATOM 816 H H . THR A 1 91 ? 56.065 35.621 21.915 1.00 20.00 ? 91 THR A H 1 ATOM 817 H HG1 . THR A 1 91 ? 55.748 37.633 22.530 1.00 20.00 ? 91 THR A HG1 1 ATOM 818 N N . GLY A 1 92 ? 53.516 35.407 20.960 1.00 17.49 ? 92 GLY A N 1 ATOM 819 C CA . GLY A 1 92 ? 52.488 35.515 19.946 1.00 18.29 ? 92 GLY A CA 1 ATOM 820 C C . GLY A 1 92 ? 52.259 34.293 19.063 1.00 18.17 ? 92 GLY A C 1 ATOM 821 O O . GLY A 1 92 ? 52.155 33.156 19.546 1.00 16.93 ? 92 GLY A O 1 ATOM 822 H H . GLY A 1 92 ? 54.432 35.180 20.706 1.00 20.00 ? 92 GLY A H 1 ATOM 823 N N . ALA A 1 93 ? 52.228 34.548 17.752 1.00 17.19 ? 93 ALA A N 1 ATOM 824 C CA . ALA A 1 93 ? 51.963 33.534 16.746 1.00 17.52 ? 93 ALA A CA 1 ATOM 825 C C . ALA A 1 93 ? 53.146 32.699 16.270 1.00 16.55 ? 93 ALA A C 1 ATOM 826 O O . ALA A 1 93 ? 53.060 32.037 15.247 1.00 17.00 ? 93 ALA A O 1 ATOM 827 C CB . ALA A 1 93 ? 51.238 34.178 15.549 1.00 18.42 ? 93 ALA A CB 1 ATOM 828 H H . ALA A 1 93 ? 52.394 35.459 17.456 1.00 20.00 ? 93 ALA A H 1 ATOM 829 N N . GLU A 1 94 ? 54.217 32.663 17.051 1.00 16.80 ? 94 GLU A N 1 ATOM 830 C CA . GLU A 1 94 ? 55.386 31.864 16.683 1.00 18.62 ? 94 GLU A CA 1 ATOM 831 C C . GLU A 1 94 ? 55.035 30.379 16.722 1.00 17.45 ? 94 GLU A C 1 ATOM 832 O O . GLU A 1 94 ? 54.280 29.923 17.579 1.00 17.46 ? 94 GLU A O 1 ATOM 833 C CB . GLU A 1 94 ? 56.570 32.109 17.639 1.00 19.43 ? 94 GLU A CB 1 ATOM 834 C CG . GLU A 1 94 ? 57.146 33.504 17.620 1.00 21.91 ? 94 GLU A CG 1 ATOM 835 C CD . GLU A 1 94 ? 56.309 34.519 18.415 1.00 24.86 ? 94 GLU A CD 1 ATOM 836 O OE1 . GLU A 1 94 ? 55.363 34.143 19.133 1.00 24.10 ? 94 GLU A OE1 1 ATOM 837 O OE2 . GLU A 1 94 ? 56.609 35.718 18.327 1.00 27.29 ? 94 GLU A OE2 1 ATOM 838 H H . GLU A 1 94 ? 54.188 33.159 17.886 1.00 20.00 ? 94 GLU A H 1 ATOM 839 N N . VAL A 1 95 ? 55.587 29.626 15.782 1.00 17.38 ? 95 VAL A N 1 ATOM 840 C CA . VAL A 1 95 ? 55.359 28.198 15.706 1.00 17.47 ? 95 VAL A CA 1 ATOM 841 C C . VAL A 1 95 ? 56.712 27.469 15.719 1.00 18.52 ? 95 VAL A C 1 ATOM 842 O O . VAL A 1 95 ? 57.698 27.962 15.161 1.00 18.62 ? 95 VAL A O 1 ATOM 843 C CB . VAL A 1 95 ? 54.568 27.847 14.419 1.00 19.33 ? 95 VAL A CB 1 ATOM 844 C CG1 . VAL A 1 95 ? 54.469 26.387 14.239 1.00 20.68 ? 95 VAL A CG1 1 ATOM 845 C CG2 . VAL A 1 95 ? 53.185 28.418 14.490 1.00 19.51 ? 95 VAL A CG2 1 ATOM 846 H H . VAL A 1 95 ? 56.169 30.050 15.117 1.00 20.00 ? 95 VAL A H 1 ATOM 847 N N . CYS A 1 96 ? 56.779 26.364 16.461 1.00 17.98 ? 96 CYS A N 1 ATOM 848 C CA . CYS A 1 96 ? 57.973 25.514 16.534 1.00 16.85 ? 96 CYS A CA 1 ATOM 849 C C . CYS A 1 96 ? 57.535 24.137 16.030 1.00 17.74 ? 96 CYS A C 1 ATOM 850 O O . CYS A 1 96 ? 56.343 23.808 16.043 1.00 17.83 ? 96 CYS A O 1 ATOM 851 C CB . CYS A 1 96 ? 58.463 25.353 17.979 1.00 15.40 ? 96 CYS A CB 1 ATOM 852 S SG . CYS A 1 96 ? 59.230 26.803 18.779 1.00 16.94 ? 96 CYS A SG 1 ATOM 853 H H . CYS A 1 96 ? 56.001 26.096 16.971 1.00 20.00 ? 96 CYS A H 1 ATOM 854 N N . TYR A 1 97 ? 58.485 23.345 15.537 1.00 17.99 ? 97 TYR A N 1 ATOM 855 C CA . TYR A 1 97 ? 58.174 21.981 15.093 1.00 17.96 ? 97 TYR A CA 1 ATOM 856 C C . TYR A 1 97 ? 59.177 21.059 15.759 1.00 17.49 ? 97 TYR A C 1 ATOM 857 O O . TYR A 1 97 ? 60.376 21.365 15.825 1.00 17.81 ? 97 TYR A O 1 ATOM 858 C CB . TYR A 1 97 ? 58.285 21.816 13.563 1.00 19.76 ? 97 TYR A CB 1 ATOM 859 C CG . TYR A 1 97 ? 57.396 22.749 12.773 1.00 20.16 ? 97 TYR A CG 1 ATOM 860 C CD1 . TYR A 1 97 ? 57.857 24.015 12.380 1.00 21.86 ? 97 TYR A CD1 1 ATOM 861 C CD2 . TYR A 1 97 ? 56.084 22.398 12.464 1.00 21.28 ? 97 TYR A CD2 1 ATOM 862 C CE1 . TYR A 1 97 ? 57.029 24.909 11.703 1.00 21.19 ? 97 TYR A CE1 1 ATOM 863 C CE2 . TYR A 1 97 ? 55.247 23.290 11.789 1.00 22.28 ? 97 TYR A CE2 1 ATOM 864 C CZ . TYR A 1 97 ? 55.730 24.544 11.418 1.00 22.12 ? 97 TYR A CZ 1 ATOM 865 O OH . TYR A 1 97 ? 54.907 25.457 10.795 1.00 25.76 ? 97 TYR A OH 1 ATOM 866 H H . TYR A 1 97 ? 59.404 23.676 15.465 1.00 20.00 ? 97 TYR A H 1 ATOM 867 H HH . TYR A 1 97 ? 54.027 25.084 10.705 1.00 20.00 ? 97 TYR A HH 1 ATOM 868 N N . SER A 1 98 ? 58.680 19.948 16.279 1.00 16.73 ? 98 SER A N 1 ATOM 869 C CA . SER A 1 98 ? 59.535 18.965 16.929 1.00 17.57 ? 98 SER A CA 1 ATOM 870 C C . SER A 1 98 ? 58.900 17.588 16.829 1.00 17.34 ? 98 SER A C 1 ATOM 871 O O . SER A 1 98 ? 57.677 17.457 16.921 1.00 16.28 ? 98 SER A O 1 ATOM 872 C CB . SER A 1 98 ? 59.784 19.343 18.403 1.00 16.04 ? 98 SER A CB 1 ATOM 873 O OG . SER A 1 98 ? 60.414 18.295 19.129 1.00 16.16 ? 98 SER A OG 1 ATOM 874 H H . SER A 1 98 ? 57.716 19.782 16.229 1.00 20.00 ? 98 SER A H 1 ATOM 875 H HG . SER A 1 98 ? 59.857 17.514 19.146 1.00 20.00 ? 98 SER A HG 1 ATOM 876 N N . VAL A 1 99 ? 59.734 16.571 16.594 1.00 19.50 ? 99 VAL A N 1 ATOM 877 C CA . VAL A 1 99 ? 59.238 15.198 16.516 1.00 20.28 ? 99 VAL A CA 1 ATOM 878 C C . VAL A 1 99 ? 59.103 14.686 17.934 1.00 20.89 ? 99 VAL A C 1 ATOM 879 O O . VAL A 1 99 ? 60.077 14.644 18.696 1.00 21.53 ? 99 VAL A O 1 ATOM 880 C CB . VAL A 1 99 ? 60.179 14.266 15.696 1.00 20.48 ? 99 VAL A CB 1 ATOM 881 C CG1 . VAL A 1 99 ? 59.708 12.814 15.807 1.00 19.32 ? 99 VAL A CG1 1 ATOM 882 C CG2 . VAL A 1 99 ? 60.206 14.714 14.246 1.00 19.67 ? 99 VAL A CG2 1 ATOM 883 H H . VAL A 1 99 ? 60.691 16.745 16.481 1.00 20.00 ? 99 VAL A H 1 ATOM 884 N N . TYR A 1 100 ? 57.885 14.327 18.304 1.00 21.35 ? 100 TYR A N 1 ATOM 885 C CA . TYR A 1 100 ? 57.655 13.822 19.642 1.00 22.09 ? 100 TYR A CA 1 ATOM 886 C C . TYR A 1 100 ? 56.571 12.742 19.631 1.00 23.18 ? 100 TYR A C 1 ATOM 887 O O . TYR A 1 100 ? 55.478 12.939 19.071 1.00 21.98 ? 100 TYR A O 1 ATOM 888 C CB . TYR A 1 100 ? 57.276 14.984 20.593 1.00 21.68 ? 100 TYR A CB 1 ATOM 889 C CG . TYR A 1 100 ? 56.878 14.512 21.966 1.00 22.06 ? 100 TYR A CG 1 ATOM 890 C CD1 . TYR A 1 100 ? 57.850 14.103 22.888 1.00 22.89 ? 100 TYR A CD1 1 ATOM 891 C CD2 . TYR A 1 100 ? 55.528 14.332 22.294 1.00 22.85 ? 100 TYR A CD2 1 ATOM 892 C CE1 . TYR A 1 100 ? 57.489 13.508 24.097 1.00 24.31 ? 100 TYR A CE1 1 ATOM 893 C CE2 . TYR A 1 100 ? 55.151 13.736 23.504 1.00 24.77 ? 100 TYR A CE2 1 ATOM 894 C CZ . TYR A 1 100 ? 56.140 13.323 24.395 1.00 25.69 ? 100 TYR A CZ 1 ATOM 895 O OH . TYR A 1 100 ? 55.783 12.692 25.559 1.00 26.87 ? 100 TYR A OH 1 ATOM 896 H H . TYR A 1 100 ? 57.133 14.401 17.691 1.00 20.00 ? 100 TYR A H 1 ATOM 897 H HH . TYR A 1 100 ? 54.827 12.618 25.614 1.00 20.00 ? 100 TYR A HH 1 ATOM 898 N N . ASP A 1 101 ? 56.895 11.578 20.193 1.00 25.85 ? 101 ASP A N 1 ATOM 899 C CA . ASP A 1 101 ? 55.903 10.512 20.271 1.00 29.71 ? 101 ASP A CA 1 ATOM 900 C C . ASP A 1 101 ? 55.413 10.131 18.851 1.00 29.11 ? 101 ASP A C 1 ATOM 901 O O . ASP A 1 101 ? 54.213 10.097 18.571 1.00 29.87 ? 101 ASP A O 1 ATOM 902 C CB . ASP A 1 101 ? 54.743 11.024 21.160 1.00 33.93 ? 101 ASP A CB 1 ATOM 903 C CG . ASP A 1 101 ? 53.823 9.930 21.637 1.00 38.12 ? 101 ASP A CG 1 ATOM 904 O OD1 . ASP A 1 101 ? 52.584 10.162 21.635 1.00 40.20 ? 101 ASP A OD1 1 ATOM 905 O OD2 . ASP A 1 101 ? 54.340 8.857 22.035 1.00 40.49 ? 101 ASP A OD2 1 ATOM 906 H H . ASP A 1 101 ? 57.795 11.439 20.554 1.00 0.00 ? 101 ASP A H 1 ATOM 907 N N . GLY A 1 102 ? 56.365 9.975 17.935 1.00 29.03 ? 102 GLY A N 1 ATOM 908 C CA . GLY A 1 102 ? 56.053 9.586 16.568 1.00 27.82 ? 102 GLY A CA 1 ATOM 909 C C . GLY A 1 102 ? 55.299 10.561 15.681 1.00 27.78 ? 102 GLY A C 1 ATOM 910 O O . GLY A 1 102 ? 54.742 10.156 14.670 1.00 28.56 ? 102 GLY A O 1 ATOM 911 H H . GLY A 1 102 ? 57.275 10.185 18.178 1.00 0.00 ? 102 GLY A H 1 ATOM 912 N N . VAL A 1 103 ? 55.321 11.851 16.008 1.00 27.82 ? 103 VAL A N 1 ATOM 913 C CA . VAL A 1 103 ? 54.622 12.869 15.208 1.00 27.17 ? 103 VAL A CA 1 ATOM 914 C C . VAL A 1 103 ? 55.515 14.116 15.054 1.00 26.37 ? 103 VAL A C 1 ATOM 915 O O . VAL A 1 103 ? 56.237 14.441 15.999 1.00 25.24 ? 103 VAL A O 1 ATOM 916 C CB . VAL A 1 103 ? 53.323 13.350 15.949 1.00 28.15 ? 103 VAL A CB 1 ATOM 917 C CG1 . VAL A 1 103 ? 52.597 14.430 15.140 1.00 28.24 ? 103 VAL A CG1 1 ATOM 918 C CG2 . VAL A 1 103 ? 52.398 12.160 16.289 1.00 30.94 ? 103 VAL A CG2 1 ATOM 919 H H . VAL A 1 103 ? 55.818 12.131 16.805 1.00 20.00 ? 103 VAL A H 1 ATOM 920 N N . ASN A 1 104 ? 55.532 14.752 13.871 1.00 25.36 ? 104 ASN A N 1 ATOM 921 C CA . ASN A 1 104 ? 56.273 16.018 13.695 1.00 25.67 ? 104 ASN A CA 1 ATOM 922 C C . ASN A 1 104 ? 55.202 17.019 14.166 1.00 25.07 ? 104 ASN A C 1 ATOM 923 O O . ASN A 1 104 ? 54.334 17.434 13.392 1.00 26.24 ? 104 ASN A O 1 ATOM 924 C CB . ASN A 1 104 ? 56.643 16.317 12.228 1.00 29.17 ? 104 ASN A CB 1 ATOM 925 C CG . ASN A 1 104 ? 57.431 17.650 12.066 1.00 32.85 ? 104 ASN A CG 1 ATOM 926 O OD1 . ASN A 1 104 ? 57.788 18.292 13.052 1.00 32.32 ? 104 ASN A OD1 1 ATOM 927 N ND2 . ASN A 1 104 ? 57.718 18.034 10.819 1.00 37.15 ? 104 ASN A ND2 1 ATOM 928 H H . ASN A 1 104 ? 55.044 14.368 13.112 1.00 20.00 ? 104 ASN A H 1 ATOM 929 H HD22 . ASN A 1 104 ? 57.464 17.447 10.083 1.00 0.00 ? 104 ASN A HD22 1 ATOM 930 N N . GLU A 1 105 ? 55.245 17.360 15.450 1.00 21.22 ? 105 GLU A N 1 ATOM 931 C CA . GLU A 1 105 ? 54.255 18.229 16.066 1.00 17.86 ? 105 GLU A CA 1 ATOM 932 C C . GLU A 1 105 ? 54.415 19.740 15.844 1.00 16.77 ? 105 GLU A C 1 ATOM 933 O O . GLU A 1 105 ? 55.530 20.278 15.864 1.00 16.52 ? 105 GLU A O 1 ATOM 934 C CB . GLU A 1 105 ? 54.228 17.909 17.570 1.00 16.92 ? 105 GLU A CB 1 ATOM 935 C CG . GLU A 1 105 ? 53.106 18.557 18.373 1.00 16.75 ? 105 GLU A CG 1 ATOM 936 C CD . GLU A 1 105 ? 53.223 18.301 19.877 1.00 17.12 ? 105 GLU A CD 1 ATOM 937 O OE1 . GLU A 1 105 ? 52.656 19.094 20.643 1.00 18.44 ? 105 GLU A OE1 1 ATOM 938 O OE2 . GLU A 1 105 ? 53.881 17.334 20.306 1.00 16.40 ? 105 GLU A OE2 1 ATOM 939 H H . GLU A 1 105 ? 55.964 16.994 16.000 1.00 20.00 ? 105 GLU A H 1 ATOM 940 N N . THR A 1 106 ? 53.295 20.408 15.561 1.00 14.82 ? 106 THR A N 1 ATOM 941 C CA . THR A 1 106 ? 53.285 21.863 15.434 1.00 14.77 ? 106 THR A CA 1 ATOM 942 C C . THR A 1 106 ? 53.051 22.351 16.873 1.00 14.98 ? 106 THR A C 1 ATOM 943 O O . THR A 1 106 ? 52.056 21.989 17.519 1.00 14.13 ? 106 THR A O 1 ATOM 944 C CB . THR A 1 106 ? 52.152 22.329 14.543 1.00 16.27 ? 106 THR A CB 1 ATOM 945 O OG1 . THR A 1 106 ? 52.351 21.765 13.244 1.00 19.00 ? 106 THR A OG1 1 ATOM 946 C CG2 . THR A 1 106 ? 52.125 23.862 14.445 1.00 16.41 ? 106 THR A CG2 1 ATOM 947 H H . THR A 1 106 ? 52.466 19.910 15.430 1.00 20.00 ? 106 THR A H 1 ATOM 948 H HG1 . THR A 1 106 ? 52.338 20.808 13.306 1.00 20.00 ? 106 THR A HG1 1 ATOM 949 N N . ILE A 1 107 ? 54.003 23.132 17.373 1.00 14.48 ? 107 ILE A N 1 ATOM 950 C CA . ILE A 1 107 ? 53.984 23.627 18.749 1.00 13.52 ? 107 ILE A CA 1 ATOM 951 C C . ILE A 1 107 ? 53.825 25.129 18.777 1.00 13.02 ? 107 ILE A C 1 ATOM 952 O O . ILE A 1 107 ? 54.576 25.865 18.131 1.00 14.04 ? 107 ILE A O 1 ATOM 953 C CB . ILE A 1 107 ? 55.298 23.219 19.492 1.00 13.19 ? 107 ILE A CB 1 ATOM 954 C CG1 . ILE A 1 107 ? 55.524 21.708 19.387 1.00 12.78 ? 107 ILE A CG1 1 ATOM 955 C CG2 . ILE A 1 107 ? 55.235 23.630 20.963 1.00 13.41 ? 107 ILE A CG2 1 ATOM 956 C CD1 . ILE A 1 107 ? 56.931 21.260 19.746 1.00 14.91 ? 107 ILE A CD1 1 ATOM 957 H H . ILE A 1 107 ? 54.724 23.389 16.784 1.00 20.00 ? 107 ILE A H 1 ATOM 958 N N . LEU A 1 108 ? 52.857 25.581 19.565 1.00 12.24 ? 108 LEU A N 1 ATOM 959 C CA . LEU A 1 108 ? 52.558 27.005 19.701 1.00 12.39 ? 108 LEU A CA 1 ATOM 960 C C . LEU A 1 108 ? 53.180 27.607 20.964 1.00 10.88 ? 108 LEU A C 1 ATOM 961 O O . LEU A 1 108 ? 53.804 26.906 21.758 1.00 12.16 ? 108 LEU A O 1 ATOM 962 C CB . LEU A 1 108 ? 51.037 27.205 19.761 1.00 12.13 ? 108 LEU A CB 1 ATOM 963 C CG . LEU A 1 108 ? 50.217 26.444 18.704 1.00 14.93 ? 108 LEU A CG 1 ATOM 964 C CD1 . LEU A 1 108 ? 48.750 26.857 18.824 1.00 13.35 ? 108 LEU A CD1 1 ATOM 965 C CD2 . LEU A 1 108 ? 50.769 26.761 17.299 1.00 14.35 ? 108 LEU A CD2 1 ATOM 966 H H . LEU A 1 108 ? 52.324 24.934 20.070 1.00 20.00 ? 108 LEU A H 1 ATOM 967 N N . THR A 1 109 ? 53.029 28.915 21.123 1.00 10.70 ? 109 THR A N 1 ATOM 968 C CA . THR A 1 109 ? 53.531 29.582 22.311 1.00 11.04 ? 109 THR A CA 1 ATOM 969 C C . THR A 1 109 ? 52.539 29.341 23.463 1.00 10.49 ? 109 THR A C 1 ATOM 970 O O . THR A 1 109 ? 51.379 28.939 23.249 1.00 10.15 ? 109 THR A O 1 ATOM 971 C CB . THR A 1 109 ? 53.687 31.095 22.099 1.00 11.32 ? 109 THR A CB 1 ATOM 972 O OG1 . THR A 1 109 ? 52.408 31.680 21.811 1.00 11.30 ? 109 THR A OG1 1 ATOM 973 C CG2 . THR A 1 109 ? 54.651 31.373 20.961 1.00 11.30 ? 109 THR A CG2 1 ATOM 974 H H . THR A 1 109 ? 52.567 29.437 20.436 1.00 20.00 ? 109 THR A H 1 ATOM 975 H HG1 . THR A 1 109 ? 51.804 31.572 22.549 1.00 20.00 ? 109 THR A HG1 1 ATOM 976 N N . PHE A 1 110 ? 53.014 29.555 24.683 1.00 10.30 ? 110 PHE A N 1 ATOM 977 C CA . PHE A 1 110 ? 52.171 29.410 25.866 1.00 9.91 ? 110 PHE A CA 1 ATOM 978 C C . PHE A 1 110 ? 50.917 30.347 25.756 1.00 9.96 ? 110 PHE A C 1 ATOM 979 O O . PHE A 1 110 ? 49.778 29.882 25.925 1.00 10.19 ? 110 PHE A O 1 ATOM 980 C CB . PHE A 1 110 ? 53.019 29.714 27.111 1.00 10.69 ? 110 PHE A CB 1 ATOM 981 C CG . PHE A 1 110 ? 52.251 29.724 28.389 1.00 9.87 ? 110 PHE A CG 1 ATOM 982 C CD1 . PHE A 1 110 ? 52.072 28.549 29.118 1.00 12.18 ? 110 PHE A CD1 1 ATOM 983 C CD2 . PHE A 1 110 ? 51.731 30.916 28.885 1.00 9.52 ? 110 PHE A CD2 1 ATOM 984 C CE1 . PHE A 1 110 ? 51.376 28.556 30.349 1.00 12.70 ? 110 PHE A CE1 1 ATOM 985 C CE2 . PHE A 1 110 ? 51.036 30.960 30.096 1.00 11.45 ? 110 PHE A CE2 1 ATOM 986 C CZ . PHE A 1 110 ? 50.853 29.786 30.837 1.00 12.65 ? 110 PHE A CZ 1 ATOM 987 H H . PHE A 1 110 ? 53.957 29.791 24.791 1.00 20.00 ? 110 PHE A H 1 ATOM 988 N N . PRO A 1 111 ? 51.102 31.651 25.398 1.00 11.22 ? 111 PRO A N 1 ATOM 989 C CA . PRO A 1 111 ? 49.897 32.495 25.305 1.00 12.05 ? 111 PRO A CA 1 ATOM 990 C C . PRO A 1 111 ? 48.910 32.020 24.232 1.00 11.06 ? 111 PRO A C 1 ATOM 991 O O . PRO A 1 111 ? 47.701 32.036 24.455 1.00 11.11 ? 111 PRO A O 1 ATOM 992 C CB . PRO A 1 111 ? 50.465 33.878 24.970 1.00 11.94 ? 111 PRO A CB 1 ATOM 993 C CG . PRO A 1 111 ? 51.838 33.860 25.598 1.00 11.60 ? 111 PRO A CG 1 ATOM 994 C CD . PRO A 1 111 ? 52.323 32.483 25.246 1.00 11.33 ? 111 PRO A CD 1 ATOM 995 N N . ALA A 1 112 ? 49.431 31.560 23.095 1.00 10.99 ? 112 ALA A N 1 ATOM 996 C CA . ALA A 1 112 ? 48.584 31.088 21.991 1.00 11.02 ? 112 ALA A CA 1 ATOM 997 C C . ALA A 1 112 ? 47.702 29.903 22.424 1.00 10.63 ? 112 ALA A C 1 ATOM 998 O O . ALA A 1 112 ? 46.518 29.873 22.092 1.00 10.85 ? 112 ALA A O 1 ATOM 999 C CB . ALA A 1 112 ? 49.446 30.709 20.757 1.00 10.95 ? 112 ALA A CB 1 ATOM 1000 H H . ALA A 1 112 ? 50.406 31.542 22.995 1.00 20.00 ? 112 ALA A H 1 ATOM 1001 N N . TYR A 1 113 ? 48.278 28.915 23.128 1.00 9.67 ? 113 TYR A N 1 ATOM 1002 C CA . TYR A 1 113 ? 47.480 27.787 23.592 1.00 9.12 ? 113 TYR A CA 1 ATOM 1003 C C . TYR A 1 113 ? 46.363 28.263 24.508 1.00 9.86 ? 113 TYR A C 1 ATOM 1004 O O . TYR A 1 113 ? 45.242 27.760 24.420 1.00 10.71 ? 113 TYR A O 1 ATOM 1005 C CB . TYR A 1 113 ? 48.323 26.777 24.373 1.00 10.08 ? 113 TYR A CB 1 ATOM 1006 C CG . TYR A 1 113 ? 49.180 25.887 23.517 1.00 11.36 ? 113 TYR A CG 1 ATOM 1007 C CD1 . TYR A 1 113 ? 50.571 25.887 23.655 1.00 11.40 ? 113 TYR A CD1 1 ATOM 1008 C CD2 . TYR A 1 113 ? 48.601 25.027 22.589 1.00 10.18 ? 113 TYR A CD2 1 ATOM 1009 C CE1 . TYR A 1 113 ? 51.363 25.034 22.878 1.00 12.56 ? 113 TYR A CE1 1 ATOM 1010 C CE2 . TYR A 1 113 ? 49.370 24.183 21.811 1.00 11.15 ? 113 TYR A CE2 1 ATOM 1011 C CZ . TYR A 1 113 ? 50.749 24.186 21.964 1.00 12.55 ? 113 TYR A CZ 1 ATOM 1012 O OH . TYR A 1 113 ? 51.502 23.314 21.225 1.00 13.94 ? 113 TYR A OH 1 ATOM 1013 H H . TYR A 1 113 ? 49.233 28.961 23.339 1.00 20.00 ? 113 TYR A H 1 ATOM 1014 H HH . TYR A 1 113 ? 52.432 23.431 21.432 1.00 20.00 ? 113 TYR A HH 1 ATOM 1015 N N . LEU A 1 114 ? 46.668 29.182 25.420 1.00 9.10 ? 114 LEU A N 1 ATOM 1016 C CA . LEU A 1 114 ? 45.647 29.686 26.344 1.00 9.78 ? 114 LEU A CA 1 ATOM 1017 C C . LEU A 1 114 ? 44.599 30.554 25.638 1.00 9.12 ? 114 LEU A C 1 ATOM 1018 O O . LEU A 1 114 ? 43.413 30.481 25.950 1.00 9.48 ? 114 LEU A O 1 ATOM 1019 C CB . LEU A 1 114 ? 46.276 30.447 27.512 1.00 12.04 ? 114 LEU A CB 1 ATOM 1020 C CG . LEU A 1 114 ? 47.240 29.709 28.466 1.00 15.05 ? 114 LEU A CG 1 ATOM 1021 C CD1 . LEU A 1 114 ? 47.473 30.583 29.725 1.00 16.03 ? 114 LEU A CD1 1 ATOM 1022 C CD2 . LEU A 1 114 ? 46.700 28.361 28.863 1.00 15.85 ? 114 LEU A CD2 1 ATOM 1023 H H . LEU A 1 114 ? 47.578 29.544 25.459 1.00 20.00 ? 114 LEU A H 1 ATOM 1024 N N . GLU A 1 115 ? 45.042 31.354 24.670 1.00 9.17 ? 115 GLU A N 1 ATOM 1025 C CA . GLU A 1 115 ? 44.130 32.195 23.902 1.00 9.22 ? 115 GLU A CA 1 ATOM 1026 C C . GLU A 1 115 ? 43.172 31.328 23.066 1.00 9.45 ? 115 GLU A C 1 ATOM 1027 O O . GLU A 1 115 ? 41.957 31.593 23.037 1.00 9.86 ? 115 GLU A O 1 ATOM 1028 C CB . GLU A 1 115 ? 44.912 33.154 23.004 1.00 9.24 ? 115 GLU A CB 1 ATOM 1029 C CG . GLU A 1 115 ? 45.483 34.326 23.779 1.00 10.43 ? 115 GLU A CG 1 ATOM 1030 C CD . GLU A 1 115 ? 46.739 34.902 23.154 1.00 14.74 ? 115 GLU A CD 1 ATOM 1031 O OE1 . GLU A 1 115 ? 46.905 34.756 21.931 1.00 14.26 ? 115 GLU A OE1 1 ATOM 1032 O OE2 . GLU A 1 115 ? 47.569 35.493 23.884 1.00 14.62 ? 115 GLU A OE2 1 ATOM 1033 H H . GLU A 1 115 ? 45.982 31.320 24.431 1.00 20.00 ? 115 GLU A H 1 ATOM 1034 N N . ASN A 1 116 ? 43.699 30.287 22.415 1.00 9.39 ? 116 ASN A N 1 ATOM 1035 C CA . ASN A 1 116 ? 42.847 29.396 21.610 1.00 10.37 ? 116 ASN A CA 1 ATOM 1036 C C . ASN A 1 116 ? 41.778 28.713 22.485 1.00 11.30 ? 116 ASN A C 1 ATOM 1037 O O . ASN A 1 116 ? 40.592 28.660 22.109 1.00 12.73 ? 116 ASN A O 1 ATOM 1038 C CB . ASN A 1 116 ? 43.681 28.348 20.864 1.00 9.98 ? 116 ASN A CB 1 ATOM 1039 C CG . ASN A 1 116 ? 44.516 28.965 19.748 1.00 12.68 ? 116 ASN A CG 1 ATOM 1040 O OD1 . ASN A 1 116 ? 44.343 30.146 19.423 1.00 13.82 ? 116 ASN A OD1 1 ATOM 1041 N ND2 . ASN A 1 116 ? 45.430 28.181 19.164 1.00 11.72 ? 116 ASN A ND2 1 ATOM 1042 H H . ASN A 1 116 ? 44.653 30.114 22.486 1.00 20.00 ? 116 ASN A H 1 ATOM 1043 H HD21 . ASN A 1 116 ? 45.516 27.257 19.478 1.00 0.00 ? 116 ASN A HD21 1 ATOM 1044 H HD22 . ASN A 1 116 ? 45.975 28.561 18.446 1.00 0.00 ? 116 ASN A HD22 1 ATOM 1045 N N . ALA A 1 117 ? 42.197 28.202 23.650 1.00 9.71 ? 117 ALA A N 1 ATOM 1046 C CA . ALA A 1 117 ? 41.252 27.550 24.559 1.00 10.74 ? 117 ALA A CA 1 ATOM 1047 C C . ALA A 1 117 ? 40.179 28.571 25.008 1.00 10.84 ? 117 ALA A C 1 ATOM 1048 O O . ALA A 1 117 ? 38.981 28.273 24.943 1.00 11.57 ? 117 ALA A O 1 ATOM 1049 C CB . ALA A 1 117 ? 41.993 26.962 25.757 1.00 10.58 ? 117 ALA A CB 1 ATOM 1050 H H . ALA A 1 117 ? 43.142 28.276 23.897 1.00 20.00 ? 117 ALA A H 1 ATOM 1051 N N . ALA A 1 118 ? 40.603 29.778 25.413 1.00 10.74 ? 118 ALA A N 1 ATOM 1052 C CA . ALA A 1 118 ? 39.667 30.836 25.851 1.00 12.14 ? 118 ALA A CA 1 ATOM 1053 C C . ALA A 1 118 ? 38.626 31.153 24.768 1.00 13.55 ? 118 ALA A C 1 ATOM 1054 O O . ALA A 1 118 ? 37.440 31.326 25.083 1.00 13.15 ? 118 ALA A O 1 ATOM 1055 C CB . ALA A 1 118 ? 40.409 32.127 26.264 1.00 11.76 ? 118 ALA A CB 1 ATOM 1056 H H . ALA A 1 118 ? 41.563 29.961 25.413 1.00 20.00 ? 118 ALA A H 1 ATOM 1057 N N . LYS A 1 119 ? 39.060 31.173 23.503 1.00 13.19 ? 119 LYS A N 1 ATOM 1058 C CA . LYS A 1 119 ? 38.147 31.435 22.378 1.00 15.21 ? 119 LYS A CA 1 ATOM 1059 C C . LYS A 1 119 ? 37.094 30.340 22.208 1.00 13.55 ? 119 LYS A C 1 ATOM 1060 O O . LYS A 1 119 ? 35.921 30.644 21.974 1.00 14.75 ? 119 LYS A O 1 ATOM 1061 C CB . LYS A 1 119 ? 38.925 31.623 21.075 1.00 16.78 ? 119 LYS A CB 1 ATOM 1062 C CG . LYS A 1 119 ? 39.701 32.917 21.050 1.00 20.29 ? 119 LYS A CG 1 ATOM 1063 C CD . LYS A 1 119 ? 40.113 33.269 19.627 1.00 24.22 ? 119 LYS A CD 1 ATOM 1064 C CE . LYS A 1 119 ? 41.125 32.298 19.072 1.00 26.13 ? 119 LYS A CE 1 ATOM 1065 N NZ . LYS A 1 119 ? 41.694 32.866 17.806 1.00 27.52 ? 119 LYS A NZ 1 ATOM 1066 H H . LYS A 1 119 ? 40.006 31.002 23.323 1.00 20.00 ? 119 LYS A H 1 ATOM 1067 H HZ1 . LYS A 1 119 ? 42.200 33.750 17.986 1.00 20.00 ? 119 LYS A HZ1 1 ATOM 1068 H HZ2 . LYS A 1 119 ? 40.914 33.052 17.152 1.00 20.00 ? 119 LYS A HZ2 1 ATOM 1069 H HZ3 . LYS A 1 119 ? 42.348 32.179 17.380 1.00 20.00 ? 119 LYS A HZ3 1 ATOM 1070 N N . LEU A 1 120 ? 37.504 29.075 22.328 1.00 13.28 ? 120 LEU A N 1 ATOM 1071 C CA . LEU A 1 120 ? 36.556 27.964 22.213 1.00 14.36 ? 120 LEU A CA 1 ATOM 1072 C C . LEU A 1 120 ? 35.452 28.097 23.264 1.00 13.66 ? 120 LEU A C 1 ATOM 1073 O O . LEU A 1 120 ? 34.267 27.963 22.952 1.00 13.81 ? 120 LEU A O 1 ATOM 1074 C CB . LEU A 1 120 ? 37.226 26.617 22.482 1.00 15.41 ? 120 LEU A CB 1 ATOM 1075 C CG . LEU A 1 120 ? 38.080 25.840 21.506 1.00 18.47 ? 120 LEU A CG 1 ATOM 1076 C CD1 . LEU A 1 120 ? 38.416 24.504 22.178 1.00 19.88 ? 120 LEU A CD1 1 ATOM 1077 C CD2 . LEU A 1 120 ? 37.298 25.602 20.211 1.00 20.13 ? 120 LEU A CD2 1 ATOM 1078 H H . LEU A 1 120 ? 38.449 28.888 22.502 1.00 20.00 ? 120 LEU A H 1 ATOM 1079 N N . PHE A 1 121 ? 35.861 28.332 24.513 1.00 11.78 ? 121 PHE A N 1 ATOM 1080 C CA . PHE A 1 121 ? 34.921 28.417 25.626 1.00 11.20 ? 121 PHE A CA 1 ATOM 1081 C C . PHE A 1 121 ? 34.061 29.672 25.581 1.00 10.19 ? 121 PHE A C 1 ATOM 1082 O O . PHE A 1 121 ? 32.850 29.616 25.800 1.00 11.48 ? 121 PHE A O 1 ATOM 1083 C CB . PHE A 1 121 ? 35.667 28.379 26.973 1.00 11.88 ? 121 PHE A CB 1 ATOM 1084 C CG . PHE A 1 121 ? 36.603 27.197 27.137 1.00 11.73 ? 121 PHE A CG 1 ATOM 1085 C CD1 . PHE A 1 121 ? 37.848 27.366 27.763 1.00 11.23 ? 121 PHE A CD1 1 ATOM 1086 C CD2 . PHE A 1 121 ? 36.253 25.926 26.683 1.00 10.90 ? 121 PHE A CD2 1 ATOM 1087 C CE1 . PHE A 1 121 ? 38.715 26.281 27.924 1.00 11.47 ? 121 PHE A CE1 1 ATOM 1088 C CE2 . PHE A 1 121 ? 37.119 24.847 26.841 1.00 11.09 ? 121 PHE A CE2 1 ATOM 1089 C CZ . PHE A 1 121 ? 38.348 25.022 27.459 1.00 10.73 ? 121 PHE A CZ 1 ATOM 1090 H H . PHE A 1 121 ? 36.819 28.451 24.685 1.00 20.00 ? 121 PHE A H 1 ATOM 1091 N N . THR A 1 122 ? 34.689 30.804 25.318 1.00 10.67 ? 122 THR A N 1 ATOM 1092 C CA . THR A 1 122 ? 33.962 32.063 25.279 1.00 11.69 ? 122 THR A CA 1 ATOM 1093 C C . THR A 1 122 ? 32.878 32.077 24.202 1.00 12.81 ? 122 THR A C 1 ATOM 1094 O O . THR A 1 122 ? 31.808 32.630 24.431 1.00 13.76 ? 122 THR A O 1 ATOM 1095 C CB . THR A 1 122 ? 34.915 33.231 25.040 1.00 13.36 ? 122 THR A CB 1 ATOM 1096 O OG1 . THR A 1 122 ? 35.825 33.307 26.146 1.00 16.20 ? 122 THR A OG1 1 ATOM 1097 C CG2 . THR A 1 122 ? 34.154 34.536 24.936 1.00 14.41 ? 122 THR A CG2 1 ATOM 1098 H H . THR A 1 122 ? 35.641 30.776 25.126 1.00 20.00 ? 122 THR A H 1 ATOM 1099 H HG1 . THR A 1 122 ? 36.444 34.026 26.002 1.00 20.00 ? 122 THR A HG1 1 ATOM 1100 N N . ALA A 1 123 ? 33.142 31.458 23.045 1.00 12.96 ? 123 ALA A N 1 ATOM 1101 C CA . ALA A 1 123 ? 32.165 31.455 21.960 1.00 14.19 ? 123 ALA A CA 1 ATOM 1102 C C . ALA A 1 123 ? 30.885 30.726 22.337 1.00 15.10 ? 123 ALA A C 1 ATOM 1103 O O . ALA A 1 123 ? 29.822 31.019 21.781 1.00 16.15 ? 123 ALA A O 1 ATOM 1104 C CB . ALA A 1 123 ? 32.771 30.855 20.688 1.00 15.96 ? 123 ALA A CB 1 ATOM 1105 H H . ALA A 1 123 ? 33.995 30.989 22.933 1.00 20.00 ? 123 ALA A H 1 ATOM 1106 N N . LYS A 1 124 ? 30.993 29.776 23.267 1.00 14.32 ? 124 LYS A N 1 ATOM 1107 C CA . LYS A 1 124 ? 29.849 29.003 23.760 1.00 15.05 ? 124 LYS A CA 1 ATOM 1108 C C . LYS A 1 124 ? 29.144 29.713 24.908 1.00 16.14 ? 124 LYS A C 1 ATOM 1109 O O . LYS A 1 124 ? 28.145 29.220 25.419 1.00 17.51 ? 124 LYS A O 1 ATOM 1110 C CB . LYS A 1 124 ? 30.272 27.631 24.284 1.00 15.48 ? 124 LYS A CB 1 ATOM 1111 C CG . LYS A 1 124 ? 30.784 26.691 23.255 1.00 15.94 ? 124 LYS A CG 1 ATOM 1112 C CD . LYS A 1 124 ? 30.998 25.325 23.861 1.00 15.93 ? 124 LYS A CD 1 ATOM 1113 C CE . LYS A 1 124 ? 29.686 24.664 24.051 1.00 14.33 ? 124 LYS A CE 1 ATOM 1114 N NZ . LYS A 1 124 ? 29.811 23.219 24.374 1.00 17.42 ? 124 LYS A NZ 1 ATOM 1115 H H . LYS A 1 124 ? 31.877 29.590 23.647 1.00 20.00 ? 124 LYS A H 1 ATOM 1116 H HZ1 . LYS A 1 124 ? 30.341 23.105 25.262 1.00 20.00 ? 124 LYS A HZ1 1 ATOM 1117 H HZ2 . LYS A 1 124 ? 30.317 22.732 23.607 1.00 20.00 ? 124 LYS A HZ2 1 ATOM 1118 H HZ3 . LYS A 1 124 ? 28.865 22.802 24.483 1.00 20.00 ? 124 LYS A HZ3 1 ATOM 1119 N N . GLY A 1 125 ? 29.692 30.829 25.362 1.00 14.78 ? 125 GLY A N 1 ATOM 1120 C CA . GLY A 1 125 ? 29.056 31.554 26.442 1.00 15.40 ? 125 GLY A CA 1 ATOM 1121 C C . GLY A 1 125 ? 29.596 31.291 27.832 1.00 15.46 ? 125 GLY A C 1 ATOM 1122 O O . GLY A 1 125 ? 29.024 31.756 28.815 1.00 16.06 ? 125 GLY A O 1 ATOM 1123 H H . GLY A 1 125 ? 30.521 31.160 24.967 1.00 20.00 ? 125 GLY A H 1 ATOM 1124 N N . ALA A 1 126 ? 30.731 30.605 27.923 1.00 14.26 ? 126 ALA A N 1 ATOM 1125 C CA . ALA A 1 126 ? 31.333 30.321 29.216 1.00 14.06 ? 126 ALA A CA 1 ATOM 1126 C C . ALA A 1 126 ? 32.164 31.512 29.679 1.00 12.26 ? 126 ALA A C 1 ATOM 1127 O O . ALA A 1 126 ? 32.583 32.318 28.861 1.00 12.74 ? 126 ALA A O 1 ATOM 1128 C CB . ALA A 1 126 ? 32.226 29.081 29.100 1.00 15.04 ? 126 ALA A CB 1 ATOM 1129 H H . ALA A 1 126 ? 31.167 30.287 27.106 1.00 20.00 ? 126 ALA A H 1 ATOM 1130 N N . LYS A 1 127 ? 32.362 31.652 30.988 1.00 11.32 ? 127 LYS A N 1 ATOM 1131 C CA . LYS A 1 127 ? 33.205 32.730 31.529 1.00 12.67 ? 127 LYS A CA 1 ATOM 1132 C C . LYS A 1 127 ? 34.583 32.132 31.844 1.00 12.28 ? 127 LYS A C 1 ATOM 1133 O O . LYS A 1 127 ? 34.718 31.242 32.695 1.00 14.16 ? 127 LYS A O 1 ATOM 1134 C CB . LYS A 1 127 ? 32.593 33.324 32.787 1.00 14.18 ? 127 LYS A CB 1 ATOM 1135 C CG . LYS A 1 127 ? 31.315 34.104 32.505 1.00 20.95 ? 127 LYS A CG 1 ATOM 1136 C CD . LYS A 1 127 ? 30.646 34.559 33.780 1.00 25.46 ? 127 LYS A CD 1 ATOM 1137 C CE . LYS A 1 127 ? 29.446 35.420 33.465 1.00 30.41 ? 127 LYS A CE 1 ATOM 1138 N NZ . LYS A 1 127 ? 28.896 36.011 34.715 1.00 35.62 ? 127 LYS A NZ 1 ATOM 1139 H H . LYS A 1 127 ? 31.929 31.045 31.606 1.00 20.00 ? 127 LYS A H 1 ATOM 1140 H HZ1 . LYS A 1 127 ? 29.628 36.595 35.167 1.00 20.00 ? 127 LYS A HZ1 1 ATOM 1141 H HZ2 . LYS A 1 127 ? 28.605 35.253 35.365 1.00 20.00 ? 127 LYS A HZ2 1 ATOM 1142 H HZ3 . LYS A 1 127 ? 28.074 36.605 34.482 1.00 20.00 ? 127 LYS A HZ3 1 ATOM 1143 N N . VAL A 1 128 ? 35.599 32.617 31.151 1.00 10.85 ? 128 VAL A N 1 ATOM 1144 C CA . VAL A 1 128 ? 36.957 32.106 31.318 1.00 10.31 ? 128 VAL A CA 1 ATOM 1145 C C . VAL A 1 128 ? 37.816 32.986 32.218 1.00 10.11 ? 128 VAL A C 1 ATOM 1146 O O . VAL A 1 128 ? 37.791 34.211 32.119 1.00 10.09 ? 128 VAL A O 1 ATOM 1147 C CB . VAL A 1 128 ? 37.652 31.947 29.939 1.00 9.83 ? 128 VAL A CB 1 ATOM 1148 C CG1 . VAL A 1 128 ? 39.071 31.397 30.085 1.00 10.00 ? 128 VAL A CG1 1 ATOM 1149 C CG2 . VAL A 1 128 ? 36.806 31.047 29.045 1.00 8.29 ? 128 VAL A CG2 1 ATOM 1150 H H . VAL A 1 128 ? 35.442 33.349 30.525 1.00 20.00 ? 128 VAL A H 1 ATOM 1151 N N . ILE A 1 129 ? 38.561 32.342 33.106 1.00 8.83 ? 129 ILE A N 1 ATOM 1152 C CA . ILE A 1 129 ? 39.449 33.032 34.018 1.00 9.87 ? 129 ILE A CA 1 ATOM 1153 C C . ILE A 1 129 ? 40.822 32.400 33.846 1.00 10.41 ? 129 ILE A C 1 ATOM 1154 O O . ILE A 1 129 ? 40.968 31.191 34.087 1.00 11.19 ? 129 ILE A O 1 ATOM 1155 C CB . ILE A 1 129 ? 38.996 32.840 35.497 1.00 11.18 ? 129 ILE A CB 1 ATOM 1156 C CG1 . ILE A 1 129 ? 37.564 33.374 35.688 1.00 11.51 ? 129 ILE A CG1 1 ATOM 1157 C CG2 . ILE A 1 129 ? 40.017 33.519 36.458 1.00 11.82 ? 129 ILE A CG2 1 ATOM 1158 C CD1 . ILE A 1 129 ? 36.918 32.982 37.019 1.00 12.91 ? 129 ILE A CD1 1 ATOM 1159 H H . ILE A 1 129 ? 38.533 31.367 33.126 1.00 20.00 ? 129 ILE A H 1 ATOM 1160 N N . LEU A 1 130 ? 41.797 33.169 33.351 1.00 9.53 ? 130 LEU A N 1 ATOM 1161 C CA . LEU A 1 130 ? 43.159 32.665 33.208 1.00 9.50 ? 130 LEU A CA 1 ATOM 1162 C C . LEU A 1 130 ? 43.856 33.049 34.510 1.00 10.72 ? 130 LEU A C 1 ATOM 1163 O O . LEU A 1 130 ? 43.684 34.140 35.005 1.00 12.56 ? 130 LEU A O 1 ATOM 1164 C CB . LEU A 1 130 ? 43.853 33.271 31.984 1.00 10.56 ? 130 LEU A CB 1 ATOM 1165 C CG . LEU A 1 130 ? 43.161 32.982 30.647 1.00 11.77 ? 130 LEU A CG 1 ATOM 1166 C CD1 . LEU A 1 130 ? 44.038 33.480 29.504 1.00 13.58 ? 130 LEU A CD1 1 ATOM 1167 C CD2 . LEU A 1 130 ? 42.915 31.503 30.467 1.00 12.44 ? 130 LEU A CD2 1 ATOM 1168 H H . LEU A 1 130 ? 41.603 34.087 33.096 1.00 20.00 ? 130 LEU A H 1 ATOM 1169 N N . SER A 1 131 ? 44.564 32.109 35.112 1.00 11.26 ? 131 SER A N 1 ATOM 1170 C CA . SER A 1 131 ? 45.217 32.359 36.384 1.00 10.04 ? 131 SER A CA 1 ATOM 1171 C C . SER A 1 131 ? 46.708 32.047 36.281 1.00 9.73 ? 131 SER A C 1 ATOM 1172 O O . SER A 1 131 ? 47.093 31.057 35.657 1.00 11.03 ? 131 SER A O 1 ATOM 1173 C CB . SER A 1 131 ? 44.542 31.470 37.434 1.00 12.11 ? 131 SER A CB 1 ATOM 1174 O OG . SER A 1 131 ? 45.213 31.507 38.674 1.00 13.01 ? 131 SER A OG 1 ATOM 1175 H H . SER A 1 131 ? 44.681 31.248 34.673 1.00 20.00 ? 131 SER A H 1 ATOM 1176 H HG . SER A 1 131 ? 45.234 32.414 38.989 1.00 20.00 ? 131 SER A HG 1 ATOM 1177 N N . SER A 1 132 ? 47.554 32.884 36.884 1.00 8.71 ? 132 SER A N 1 ATOM 1178 C CA . SER A 1 132 ? 48.996 32.618 36.841 1.00 8.01 ? 132 SER A CA 1 ATOM 1179 C C . SER A 1 132 ? 49.347 31.434 37.738 1.00 10.20 ? 132 SER A C 1 ATOM 1180 O O . SER A 1 132 ? 48.679 31.175 38.764 1.00 9.29 ? 132 SER A O 1 ATOM 1181 C CB . SER A 1 132 ? 49.789 33.845 37.264 1.00 7.36 ? 132 SER A CB 1 ATOM 1182 O OG . SER A 1 132 ? 49.343 34.353 38.503 1.00 9.52 ? 132 SER A OG 1 ATOM 1183 H H . SER A 1 132 ? 47.213 33.668 37.365 1.00 20.00 ? 132 SER A H 1 ATOM 1184 H HG . SER A 1 132 ? 48.411 34.574 38.433 1.00 20.00 ? 132 SER A HG 1 ATOM 1185 N N . GLN A 1 133 ? 50.432 30.747 37.386 1.00 10.06 ? 133 GLN A N 1 ATOM 1186 C CA . GLN A 1 133 ? 50.855 29.577 38.143 1.00 10.90 ? 133 GLN A CA 1 ATOM 1187 C C . GLN A 1 133 ? 51.199 29.897 39.593 1.00 11.25 ? 133 GLN A C 1 ATOM 1188 O O . GLN A 1 133 ? 51.536 31.037 39.931 1.00 10.65 ? 133 GLN A O 1 ATOM 1189 C CB . GLN A 1 133 ? 52.076 28.934 37.487 1.00 10.72 ? 133 GLN A CB 1 ATOM 1190 C CG . GLN A 1 133 ? 53.300 29.824 37.548 1.00 11.28 ? 133 GLN A CG 1 ATOM 1191 C CD . GLN A 1 133 ? 54.574 29.049 37.299 1.00 11.87 ? 133 GLN A CD 1 ATOM 1192 O OE1 . GLN A 1 133 ? 55.137 29.108 36.209 1.00 11.77 ? 133 GLN A OE1 1 ATOM 1193 N NE2 . GLN A 1 133 ? 55.030 28.314 38.305 1.00 11.00 ? 133 GLN A NE2 1 ATOM 1194 H H . GLN A 1 133 ? 50.973 31.055 36.634 1.00 20.00 ? 133 GLN A H 1 ATOM 1195 H HE21 . GLN A 1 133 ? 55.844 27.797 38.154 1.00 20.00 ? 133 GLN A HE21 1 ATOM 1196 H HE22 . GLN A 1 133 ? 54.542 28.322 39.152 1.00 20.00 ? 133 GLN A HE22 1 ATOM 1197 N N . THR A 1 134 ? 51.135 28.870 40.444 1.00 11.29 ? 134 THR A N 1 ATOM 1198 C CA . THR A 1 134 ? 51.491 29.016 41.850 1.00 10.37 ? 134 THR A CA 1 ATOM 1199 C C . THR A 1 134 ? 53.012 28.961 41.952 1.00 10.71 ? 134 THR A C 1 ATOM 1200 O O . THR A 1 134 ? 53.704 28.452 41.055 1.00 11.96 ? 134 THR A O 1 ATOM 1201 C CB . THR A 1 134 ? 50.935 27.862 42.699 1.00 10.18 ? 134 THR A CB 1 ATOM 1202 O OG1 . THR A 1 134 ? 51.368 26.626 42.129 1.00 11.94 ? 134 THR A OG1 1 ATOM 1203 C CG2 . THR A 1 134 ? 49.393 27.913 42.766 1.00 11.24 ? 134 THR A CG2 1 ATOM 1204 H H . THR A 1 134 ? 50.856 27.991 40.115 1.00 20.00 ? 134 THR A H 1 ATOM 1205 H HG1 . THR A 1 134 ? 52.326 26.569 42.171 1.00 20.00 ? 134 THR A HG1 1 ATOM 1206 N N . PRO A 1 135 ? 53.565 29.536 43.015 1.00 11.51 ? 135 PRO A N 1 ATOM 1207 C CA . PRO A 1 135 ? 55.025 29.488 43.134 1.00 11.81 ? 135 PRO A CA 1 ATOM 1208 C C . PRO A 1 135 ? 55.582 28.204 43.756 1.00 11.60 ? 135 PRO A C 1 ATOM 1209 O O . PRO A 1 135 ? 54.894 27.508 44.501 1.00 11.21 ? 135 PRO A O 1 ATOM 1210 C CB . PRO A 1 135 ? 55.331 30.696 44.035 1.00 11.26 ? 135 PRO A CB 1 ATOM 1211 C CG . PRO A 1 135 ? 54.145 30.817 44.855 1.00 12.52 ? 135 PRO A CG 1 ATOM 1212 C CD . PRO A 1 135 ? 52.980 30.492 43.969 1.00 10.56 ? 135 PRO A CD 1 ATOM 1213 N N . ASN A 1 136 ? 56.798 27.848 43.355 1.00 11.29 ? 136 ASN A N 1 ATOM 1214 C CA . ASN A 1 136 ? 57.503 26.745 44.007 1.00 12.74 ? 136 ASN A CA 1 ATOM 1215 C C . ASN A 1 136 ? 57.871 27.338 45.398 1.00 13.71 ? 136 ASN A C 1 ATOM 1216 O O . ASN A 1 136 ? 57.845 28.558 45.580 1.00 13.92 ? 136 ASN A O 1 ATOM 1217 C CB . ASN A 1 136 ? 58.804 26.406 43.261 1.00 14.79 ? 136 ASN A CB 1 ATOM 1218 C CG . ASN A 1 136 ? 58.567 25.538 42.031 1.00 15.54 ? 136 ASN A CG 1 ATOM 1219 O OD1 . ASN A 1 136 ? 57.488 24.969 41.863 1.00 16.87 ? 136 ASN A OD1 1 ATOM 1220 N ND2 . ASN A 1 136 ? 59.582 25.423 41.174 1.00 18.22 ? 136 ASN A ND2 1 ATOM 1221 H H . ASN A 1 136 ? 57.226 28.328 42.616 1.00 20.00 ? 136 ASN A H 1 ATOM 1222 H HD21 . ASN A 1 136 ? 60.414 25.897 41.378 1.00 0.00 ? 136 ASN A HD21 1 ATOM 1223 H HD22 . ASN A 1 136 ? 59.457 24.870 40.375 1.00 0.00 ? 136 ASN A HD22 1 ATOM 1224 N N . ASN A 1 137 ? 58.146 26.488 46.383 1.00 13.36 ? 137 ASN A N 1 ATOM 1225 C CA . ASN A 1 137 ? 58.506 26.924 47.723 1.00 13.27 ? 137 ASN A CA 1 ATOM 1226 C C . ASN A 1 137 ? 59.505 28.107 47.667 1.00 15.53 ? 137 ASN A C 1 ATOM 1227 O O . ASN A 1 137 ? 60.678 27.906 47.306 1.00 15.21 ? 137 ASN A O 1 ATOM 1228 C CB . ASN A 1 137 ? 59.142 25.732 48.451 1.00 13.69 ? 137 ASN A CB 1 ATOM 1229 C CG . ASN A 1 137 ? 59.505 26.053 49.893 1.00 13.90 ? 137 ASN A CG 1 ATOM 1230 O OD1 . ASN A 1 137 ? 59.268 27.167 50.374 1.00 15.40 ? 137 ASN A OD1 1 ATOM 1231 N ND2 . ASN A 1 137 ? 60.100 25.093 50.577 1.00 13.07 ? 137 ASN A ND2 1 ATOM 1232 H H . ASN A 1 137 ? 58.094 25.533 46.217 1.00 20.00 ? 137 ASN A H 1 ATOM 1233 H HD21 . ASN A 1 137 ? 60.278 24.239 50.136 1.00 0.00 ? 137 ASN A HD21 1 ATOM 1234 H HD22 . ASN A 1 137 ? 60.329 25.290 51.504 1.00 0.00 ? 137 ASN A HD22 1 ATOM 1235 N N . PRO A 1 138 ? 59.068 29.341 48.061 1.00 15.08 ? 138 PRO A N 1 ATOM 1236 C CA . PRO A 1 138 ? 59.926 30.534 48.030 1.00 14.87 ? 138 PRO A CA 1 ATOM 1237 C C . PRO A 1 138 ? 60.873 30.684 49.220 1.00 16.51 ? 138 PRO A C 1 ATOM 1238 O O . PRO A 1 138 ? 61.685 31.624 49.264 1.00 17.36 ? 138 PRO A O 1 ATOM 1239 C CB . PRO A 1 138 ? 58.904 31.667 47.969 1.00 14.61 ? 138 PRO A CB 1 ATOM 1240 C CG . PRO A 1 138 ? 57.827 31.197 48.856 1.00 13.35 ? 138 PRO A CG 1 ATOM 1241 C CD . PRO A 1 138 ? 57.708 29.705 48.531 1.00 15.78 ? 138 PRO A CD 1 ATOM 1242 N N . TRP A 1 139 ? 60.751 29.747 50.165 1.00 17.31 ? 139 TRP A N 1 ATOM 1243 C CA . TRP A 1 139 ? 61.549 29.699 51.399 1.00 18.68 ? 139 TRP A CA 1 ATOM 1244 C C . TRP A 1 139 ? 62.463 28.479 51.384 1.00 21.21 ? 139 TRP A C 1 ATOM 1245 O O . TRP A 1 139 ? 63.001 28.103 52.438 1.00 21.57 ? 139 TRP A O 1 ATOM 1246 C CB . TRP A 1 139 ? 60.633 29.536 52.618 1.00 17.44 ? 139 TRP A CB 1 ATOM 1247 C CG . TRP A 1 139 ? 59.839 30.738 53.022 1.00 16.83 ? 139 TRP A CG 1 ATOM 1248 C CD1 . TRP A 1 139 ? 58.500 30.979 52.786 1.00 14.88 ? 139 TRP A CD1 1 ATOM 1249 C CD2 . TRP A 1 139 ? 60.315 31.844 53.805 1.00 16.96 ? 139 TRP A CD2 1 ATOM 1250 N NE1 . TRP A 1 139 ? 58.126 32.162 53.379 1.00 16.22 ? 139 TRP A NE1 1 ATOM 1251 C CE2 . TRP A 1 139 ? 59.215 32.716 54.007 1.00 16.07 ? 139 TRP A CE2 1 ATOM 1252 C CE3 . TRP A 1 139 ? 61.568 32.181 54.358 1.00 16.63 ? 139 TRP A CE3 1 ATOM 1253 C CZ2 . TRP A 1 139 ? 59.329 33.896 54.733 1.00 16.21 ? 139 TRP A CZ2 1 ATOM 1254 C CZ3 . TRP A 1 139 ? 61.683 33.351 55.079 1.00 15.97 ? 139 TRP A CZ3 1 ATOM 1255 C CH2 . TRP A 1 139 ? 60.568 34.201 55.261 1.00 16.52 ? 139 TRP A CH2 1 ATOM 1256 H H . TRP A 1 139 ? 60.080 29.049 50.031 1.00 20.00 ? 139 TRP A H 1 ATOM 1257 H HE1 . TRP A 1 139 ? 57.237 32.552 53.333 1.00 20.00 ? 139 TRP A HE1 1 ATOM 1258 N N . GLU A 1 140 ? 62.597 27.830 50.224 1.00 22.56 ? 140 GLU A N 1 ATOM 1259 C CA . GLU A 1 140 ? 63.435 26.634 50.107 1.00 24.80 ? 140 GLU A CA 1 ATOM 1260 C C . GLU A 1 140 ? 64.850 26.856 50.653 1.00 24.85 ? 140 GLU A C 1 ATOM 1261 O O . GLU A 1 140 ? 65.440 25.953 51.251 1.00 25.08 ? 140 GLU A O 1 ATOM 1262 C CB . GLU A 1 140 ? 63.502 26.155 48.653 1.00 25.87 ? 140 GLU A CB 1 ATOM 1263 C CG . GLU A 1 140 ? 64.247 24.838 48.511 1.00 30.19 ? 140 GLU A CG 1 ATOM 1264 C CD . GLU A 1 140 ? 64.248 24.281 47.093 1.00 33.45 ? 140 GLU A CD 1 ATOM 1265 O OE1 . GLU A 1 140 ? 64.181 25.069 46.125 1.00 34.32 ? 140 GLU A OE1 1 ATOM 1266 O OE2 . GLU A 1 140 ? 64.324 23.038 46.948 1.00 36.08 ? 140 GLU A OE2 1 ATOM 1267 H H . GLU A 1 140 ? 62.126 28.161 49.430 1.00 20.00 ? 140 GLU A H 1 ATOM 1268 N N . THR A 1 141 ? 65.373 28.069 50.510 1.00 25.28 ? 141 THR A N 1 ATOM 1269 C CA . THR A 1 141 ? 66.726 28.360 51.000 1.00 26.97 ? 141 THR A CA 1 ATOM 1270 C C . THR A 1 141 ? 66.819 28.973 52.405 1.00 27.04 ? 141 THR A C 1 ATOM 1271 O O . THR A 1 141 ? 67.907 29.380 52.828 1.00 29.82 ? 141 THR A O 1 ATOM 1272 C CB . THR A 1 141 ? 67.475 29.292 50.034 1.00 27.62 ? 141 THR A CB 1 ATOM 1273 O OG1 . THR A 1 141 ? 66.919 30.612 50.118 1.00 27.86 ? 141 THR A OG1 1 ATOM 1274 C CG2 . THR A 1 141 ? 67.356 28.775 48.604 1.00 28.24 ? 141 THR A CG2 1 ATOM 1275 H H . THR A 1 141 ? 64.849 28.774 50.082 1.00 20.00 ? 141 THR A H 1 ATOM 1276 H HG1 . THR A 1 141 ? 67.392 31.195 49.520 1.00 20.00 ? 141 THR A HG1 1 ATOM 1277 N N . GLY A 1 142 ? 65.704 29.057 53.127 1.00 25.64 ? 142 GLY A N 1 ATOM 1278 C CA . GLY A 1 142 ? 65.743 29.647 54.457 1.00 24.73 ? 142 GLY A CA 1 ATOM 1279 C C . GLY A 1 142 ? 65.427 31.136 54.487 1.00 24.84 ? 142 GLY A C 1 ATOM 1280 O O . GLY A 1 142 ? 65.196 31.696 55.551 1.00 25.88 ? 142 GLY A O 1 ATOM 1281 H H . GLY A 1 142 ? 64.863 28.727 52.759 1.00 20.00 ? 142 GLY A H 1 ATOM 1282 N N . THR A 1 143 ? 65.490 31.785 53.328 1.00 23.96 ? 143 THR A N 1 ATOM 1283 C CA . THR A 1 143 ? 65.162 33.200 53.180 1.00 23.65 ? 143 THR A CA 1 ATOM 1284 C C . THR A 1 143 ? 64.092 33.323 52.067 1.00 22.17 ? 143 THR A C 1 ATOM 1285 O O . THR A 1 143 ? 64.031 32.489 51.162 1.00 21.33 ? 143 THR A O 1 ATOM 1286 C CB . THR A 1 143 ? 66.419 34.046 52.829 1.00 24.73 ? 143 THR A CB 1 ATOM 1287 O OG1 . THR A 1 143 ? 67.058 33.517 51.659 1.00 27.01 ? 143 THR A OG1 1 ATOM 1288 C CG2 . THR A 1 143 ? 67.397 34.021 53.980 1.00 26.54 ? 143 THR A CG2 1 ATOM 1289 H H . THR A 1 143 ? 65.764 31.291 52.528 1.00 20.00 ? 143 THR A H 1 ATOM 1290 H HG1 . THR A 1 143 ? 67.824 34.053 51.442 1.00 20.00 ? 143 THR A HG1 1 ATOM 1291 N N . PHE A 1 144 ? 63.266 34.361 52.137 1.00 20.01 ? 144 PHE A N 1 ATOM 1292 C CA . PHE A 1 144 ? 62.199 34.547 51.158 1.00 19.69 ? 144 PHE A CA 1 ATOM 1293 C C . PHE A 1 144 ? 62.672 35.140 49.845 1.00 21.12 ? 144 PHE A C 1 ATOM 1294 O O . PHE A 1 144 ? 63.273 36.213 49.812 1.00 21.37 ? 144 PHE A O 1 ATOM 1295 C CB . PHE A 1 144 ? 61.084 35.424 51.737 1.00 19.17 ? 144 PHE A CB 1 ATOM 1296 C CG . PHE A 1 144 ? 59.880 35.548 50.843 1.00 17.35 ? 144 PHE A CG 1 ATOM 1297 C CD1 . PHE A 1 144 ? 58.991 34.485 50.702 1.00 17.66 ? 144 PHE A CD1 1 ATOM 1298 C CD2 . PHE A 1 144 ? 59.648 36.718 50.124 1.00 18.49 ? 144 PHE A CD2 1 ATOM 1299 C CE1 . PHE A 1 144 ? 57.877 34.571 49.846 1.00 16.93 ? 144 PHE A CE1 1 ATOM 1300 C CE2 . PHE A 1 144 ? 58.534 36.821 49.261 1.00 18.64 ? 144 PHE A CE2 1 ATOM 1301 C CZ . PHE A 1 144 ? 57.649 35.731 49.126 1.00 16.65 ? 144 PHE A CZ 1 ATOM 1302 H H . PHE A 1 144 ? 63.372 35.008 52.851 1.00 20.00 ? 144 PHE A H 1 ATOM 1303 N N . VAL A 1 145 ? 62.349 34.451 48.757 1.00 22.64 ? 145 VAL A N 1 ATOM 1304 C CA . VAL A 1 145 ? 62.725 34.894 47.416 1.00 24.44 ? 145 VAL A CA 1 ATOM 1305 C C . VAL A 1 145 ? 61.479 35.020 46.533 1.00 25.20 ? 145 VAL A C 1 ATOM 1306 O O . VAL A 1 145 ? 60.769 34.028 46.350 1.00 24.31 ? 145 VAL A O 1 ATOM 1307 C CB . VAL A 1 145 ? 63.694 33.863 46.746 1.00 25.27 ? 145 VAL A CB 1 ATOM 1308 C CG1 . VAL A 1 145 ? 64.036 34.295 45.318 1.00 26.55 ? 145 VAL A CG1 1 ATOM 1309 C CG2 . VAL A 1 145 ? 64.969 33.692 47.583 1.00 23.30 ? 145 VAL A CG2 1 ATOM 1310 H H . VAL A 1 145 ? 61.829 33.628 48.853 1.00 20.00 ? 145 VAL A H 1 ATOM 1311 N N . ASN A 1 146 ? 61.181 36.232 46.051 1.00 26.40 ? 146 ASN A N 1 ATOM 1312 C CA . ASN A 1 146 ? 60.046 36.428 45.139 1.00 28.34 ? 146 ASN A CA 1 ATOM 1313 C C . ASN A 1 146 ? 60.654 36.396 43.737 1.00 27.55 ? 146 ASN A C 1 ATOM 1314 O O . ASN A 1 146 ? 61.379 37.303 43.343 1.00 30.15 ? 146 ASN A O 1 ATOM 1315 C CB . ASN A 1 146 ? 59.320 37.768 45.351 1.00 31.27 ? 146 ASN A CB 1 ATOM 1316 C CG . ASN A 1 146 ? 57.891 37.777 44.725 1.00 35.03 ? 146 ASN A CG 1 ATOM 1317 O OD1 . ASN A 1 146 ? 57.671 37.285 43.607 1.00 36.19 ? 146 ASN A OD1 1 ATOM 1318 N ND2 . ASN A 1 146 ? 56.914 38.275 45.484 1.00 37.14 ? 146 ASN A ND2 1 ATOM 1319 H H . ASN A 1 146 ? 61.732 37.000 46.307 1.00 0.00 ? 146 ASN A H 1 ATOM 1320 H HD21 . ASN A 1 146 ? 57.142 38.603 46.379 1.00 0.00 ? 146 ASN A HD21 1 ATOM 1321 H HD22 . ASN A 1 146 ? 56.006 38.290 45.116 1.00 0.00 ? 146 ASN A HD22 1 ATOM 1322 N N . SER A 1 147 ? 60.381 35.336 42.997 1.00 25.43 ? 147 SER A N 1 ATOM 1323 C CA . SER A 1 147 ? 60.935 35.206 41.668 1.00 25.14 ? 147 SER A CA 1 ATOM 1324 C C . SER A 1 147 ? 59.919 34.611 40.700 1.00 22.89 ? 147 SER A C 1 ATOM 1325 O O . SER A 1 147 ? 59.897 33.398 40.479 1.00 23.07 ? 147 SER A O 1 ATOM 1326 C CB . SER A 1 147 ? 62.183 34.329 41.715 1.00 27.52 ? 147 SER A CB 1 ATOM 1327 O OG . SER A 1 147 ? 62.987 34.609 40.583 1.00 33.67 ? 147 SER A OG 1 ATOM 1328 H H . SER A 1 147 ? 59.796 34.633 43.348 1.00 0.00 ? 147 SER A H 1 ATOM 1329 H HG . SER A 1 147 ? 63.254 35.531 40.593 1.00 0.00 ? 147 SER A HG 1 ATOM 1330 N N . PRO A 1 148 ? 59.035 35.457 40.139 1.00 21.42 ? 148 PRO A N 1 ATOM 1331 C CA . PRO A 1 148 ? 58.020 34.972 39.192 1.00 19.60 ? 148 PRO A CA 1 ATOM 1332 C C . PRO A 1 148 ? 58.640 34.460 37.890 1.00 18.78 ? 148 PRO A C 1 ATOM 1333 O O . PRO A 1 148 ? 59.702 34.926 37.444 1.00 19.65 ? 148 PRO A O 1 ATOM 1334 C CB . PRO A 1 148 ? 57.130 36.195 38.971 1.00 18.81 ? 148 PRO A CB 1 ATOM 1335 C CG . PRO A 1 148 ? 58.071 37.323 39.127 1.00 21.47 ? 148 PRO A CG 1 ATOM 1336 C CD . PRO A 1 148 ? 58.939 36.914 40.315 1.00 20.82 ? 148 PRO A CD 1 ATOM 1337 N N . THR A 1 149 ? 58.014 33.444 37.325 1.00 15.53 ? 149 THR A N 1 ATOM 1338 C CA . THR A 1 149 ? 58.497 32.882 36.079 1.00 15.10 ? 149 THR A CA 1 ATOM 1339 C C . THR A 1 149 ? 57.880 33.735 34.966 1.00 13.52 ? 149 THR A C 1 ATOM 1340 O O . THR A 1 149 ? 56.958 34.548 35.214 1.00 12.29 ? 149 THR A O 1 ATOM 1341 C CB . THR A 1 149 ? 58.006 31.466 35.906 1.00 14.37 ? 149 THR A CB 1 ATOM 1342 O OG1 . THR A 1 149 ? 56.575 31.488 35.792 1.00 15.48 ? 149 THR A OG1 1 ATOM 1343 C CG2 . THR A 1 149 ? 58.411 30.627 37.115 1.00 14.37 ? 149 THR A CG2 1 ATOM 1344 H H . THR A 1 149 ? 57.214 33.071 37.751 1.00 20.00 ? 149 THR A H 1 ATOM 1345 H HG1 . THR A 1 149 ? 56.299 31.925 34.983 1.00 20.00 ? 149 THR A HG1 1 ATOM 1346 N N . ARG A 1 150 ? 58.335 33.495 33.743 1.00 11.84 ? 150 ARG A N 1 ATOM 1347 C CA . ARG A 1 150 ? 57.825 34.242 32.602 1.00 12.97 ? 150 ARG A CA 1 ATOM 1348 C C . ARG A 1 150 ? 56.347 33.938 32.357 1.00 11.98 ? 150 ARG A C 1 ATOM 1349 O O . ARG A 1 150 ? 55.614 34.777 31.831 1.00 12.22 ? 150 ARG A O 1 ATOM 1350 C CB . ARG A 1 150 ? 58.639 33.950 31.337 1.00 13.64 ? 150 ARG A CB 1 ATOM 1351 C CG . ARG A 1 150 ? 58.584 32.528 30.847 1.00 16.32 ? 150 ARG A CG 1 ATOM 1352 C CD . ARG A 1 150 ? 59.549 32.361 29.694 1.00 20.71 ? 150 ARG A CD 1 ATOM 1353 N NE . ARG A 1 150 ? 59.772 30.975 29.304 1.00 23.23 ? 150 ARG A NE 1 ATOM 1354 C CZ . ARG A 1 150 ? 60.590 30.145 29.946 1.00 25.97 ? 150 ARG A CZ 1 ATOM 1355 N NH1 . ARG A 1 150 ? 61.258 30.551 31.018 1.00 26.70 ? 150 ARG A NH1 1 ATOM 1356 N NH2 . ARG A 1 150 ? 60.757 28.903 29.508 1.00 26.90 ? 150 ARG A NH2 1 ATOM 1357 H H . ARG A 1 150 ? 59.027 32.818 33.607 1.00 20.00 ? 150 ARG A H 1 ATOM 1358 H HE . ARG A 1 150 ? 59.288 30.630 28.526 1.00 20.00 ? 150 ARG A HE 1 ATOM 1359 H HH11 . ARG A 1 150 ? 61.153 31.486 31.359 1.00 0.00 ? 150 ARG A HH11 1 ATOM 1360 H HH12 . ARG A 1 150 ? 61.866 29.915 31.493 1.00 0.00 ? 150 ARG A HH12 1 ATOM 1361 H HH21 . ARG A 1 150 ? 60.265 28.591 28.695 1.00 0.00 ? 150 ARG A HH21 1 ATOM 1362 H HH22 . ARG A 1 150 ? 61.369 28.277 29.992 1.00 0.00 ? 150 ARG A HH22 1 ATOM 1363 N N . PHE A 1 151 ? 55.906 32.760 32.790 1.00 11.54 ? 151 PHE A N 1 ATOM 1364 C CA . PHE A 1 151 ? 54.515 32.348 32.567 1.00 10.75 ? 151 PHE A CA 1 ATOM 1365 C C . PHE A 1 151 ? 53.484 33.155 33.374 1.00 11.82 ? 151 PHE A C 1 ATOM 1366 O O . PHE A 1 151 ? 52.287 33.140 33.051 1.00 11.18 ? 151 PHE A O 1 ATOM 1367 C CB . PHE A 1 151 ? 54.382 30.835 32.773 1.00 10.68 ? 151 PHE A CB 1 ATOM 1368 C CG . PHE A 1 151 ? 55.325 30.047 31.929 1.00 11.92 ? 151 PHE A CG 1 ATOM 1369 C CD1 . PHE A 1 151 ? 56.413 29.396 32.497 1.00 13.89 ? 151 PHE A CD1 1 ATOM 1370 C CD2 . PHE A 1 151 ? 55.186 30.041 30.538 1.00 12.69 ? 151 PHE A CD2 1 ATOM 1371 C CE1 . PHE A 1 151 ? 57.363 28.749 31.686 1.00 13.97 ? 151 PHE A CE1 1 ATOM 1372 C CE2 . PHE A 1 151 ? 56.114 29.411 29.725 1.00 12.54 ? 151 PHE A CE2 1 ATOM 1373 C CZ . PHE A 1 151 ? 57.215 28.757 30.296 1.00 14.39 ? 151 PHE A CZ 1 ATOM 1374 H H . PHE A 1 151 ? 56.520 32.156 33.256 1.00 20.00 ? 151 PHE A H 1 ATOM 1375 N N . VAL A 1 152 ? 53.947 33.870 34.412 1.00 11.87 ? 152 VAL A N 1 ATOM 1376 C CA . VAL A 1 152 ? 53.041 34.715 35.201 1.00 12.45 ? 152 VAL A CA 1 ATOM 1377 C C . VAL A 1 152 ? 52.612 35.907 34.318 1.00 12.83 ? 152 VAL A C 1 ATOM 1378 O O . VAL A 1 152 ? 51.415 36.152 34.112 1.00 14.26 ? 152 VAL A O 1 ATOM 1379 C CB . VAL A 1 152 ? 53.703 35.166 36.516 1.00 12.29 ? 152 VAL A CB 1 ATOM 1380 C CG1 . VAL A 1 152 ? 52.850 36.199 37.217 1.00 11.97 ? 152 VAL A CG1 1 ATOM 1381 C CG2 . VAL A 1 152 ? 53.899 33.939 37.432 1.00 13.20 ? 152 VAL A CG2 1 ATOM 1382 H H . VAL A 1 152 ? 54.896 33.823 34.650 1.00 20.00 ? 152 VAL A H 1 ATOM 1383 N N . GLU A 1 153 ? 53.582 36.594 33.722 1.00 13.04 ? 153 GLU A N 1 ATOM 1384 C CA . GLU A 1 153 ? 53.270 37.713 32.841 1.00 15.37 ? 153 GLU A CA 1 ATOM 1385 C C . GLU A 1 153 ? 52.532 37.213 31.575 1.00 13.63 ? 153 GLU A C 1 ATOM 1386 O O . GLU A 1 153 ? 51.620 37.883 31.076 1.00 13.17 ? 153 GLU A O 1 ATOM 1387 C CB . GLU A 1 153 ? 54.547 38.439 32.440 1.00 19.66 ? 153 GLU A CB 1 ATOM 1388 C CG . GLU A 1 153 ? 54.273 39.515 31.384 1.00 30.99 ? 153 GLU A CG 1 ATOM 1389 C CD . GLU A 1 153 ? 55.529 39.961 30.629 1.00 36.75 ? 153 GLU A CD 1 ATOM 1390 O OE1 . GLU A 1 153 ? 56.147 40.964 31.067 1.00 39.30 ? 153 GLU A OE1 1 ATOM 1391 O OE2 . GLU A 1 153 ? 55.887 39.317 29.598 1.00 39.65 ? 153 GLU A OE2 1 ATOM 1392 H H . GLU A 1 153 ? 54.516 36.334 33.867 1.00 20.00 ? 153 GLU A H 1 ATOM 1393 N N . TYR A 1 154 ? 52.951 36.056 31.047 1.00 11.92 ? 154 TYR A N 1 ATOM 1394 C CA . TYR A 1 154 ? 52.311 35.478 29.848 1.00 13.46 ? 154 TYR A CA 1 ATOM 1395 C C . TYR A 1 154 ? 50.812 35.204 30.030 1.00 13.17 ? 154 TYR A C 1 ATOM 1396 O O . TYR A 1 154 ? 50.035 35.343 29.073 1.00 13.99 ? 154 TYR A O 1 ATOM 1397 C CB . TYR A 1 154 ? 52.977 34.166 29.399 1.00 12.61 ? 154 TYR A CB 1 ATOM 1398 C CG . TYR A 1 154 ? 54.350 34.308 28.774 1.00 14.61 ? 154 TYR A CG 1 ATOM 1399 C CD1 . TYR A 1 154 ? 54.992 35.554 28.663 1.00 14.91 ? 154 TYR A CD1 1 ATOM 1400 C CD2 . TYR A 1 154 ? 55.027 33.184 28.311 1.00 15.93 ? 154 TYR A CD2 1 ATOM 1401 C CE1 . TYR A 1 154 ? 56.289 35.659 28.104 1.00 16.37 ? 154 TYR A CE1 1 ATOM 1402 C CE2 . TYR A 1 154 ? 56.309 33.280 27.748 1.00 16.14 ? 154 TYR A CE2 1 ATOM 1403 C CZ . TYR A 1 154 ? 56.930 34.504 27.649 1.00 15.84 ? 154 TYR A CZ 1 ATOM 1404 O OH . TYR A 1 154 ? 58.194 34.549 27.096 1.00 16.89 ? 154 TYR A OH 1 ATOM 1405 H H . TYR A 1 154 ? 53.693 35.579 31.470 1.00 20.00 ? 154 TYR A H 1 ATOM 1406 H HH . TYR A 1 154 ? 58.512 35.455 27.083 1.00 20.00 ? 154 TYR A HH 1 ATOM 1407 N N . ALA A 1 155 ? 50.424 34.745 31.223 1.00 12.34 ? 155 ALA A N 1 ATOM 1408 C CA . ALA A 1 155 ? 49.016 34.458 31.509 1.00 12.13 ? 155 ALA A CA 1 ATOM 1409 C C . ALA A 1 155 ? 48.237 35.781 31.511 1.00 12.78 ? 155 ALA A C 1 ATOM 1410 O O . ALA A 1 155 ? 47.112 35.851 31.007 1.00 13.77 ? 155 ALA A O 1 ATOM 1411 C CB . ALA A 1 155 ? 48.878 33.758 32.859 1.00 11.21 ? 155 ALA A CB 1 ATOM 1412 H H . ALA A 1 155 ? 51.099 34.593 31.917 1.00 20.00 ? 155 ALA A H 1 ATOM 1413 N N . GLU A 1 156 ? 48.858 36.834 32.039 1.00 12.60 ? 156 GLU A N 1 ATOM 1414 C CA . GLU A 1 156 ? 48.211 38.133 32.082 1.00 15.36 ? 156 GLU A CA 1 ATOM 1415 C C . GLU A 1 156 ? 48.031 38.679 30.653 1.00 16.24 ? 156 GLU A C 1 ATOM 1416 O O . GLU A 1 156 ? 46.945 39.152 30.287 1.00 15.17 ? 156 GLU A O 1 ATOM 1417 C CB . GLU A 1 156 ? 49.004 39.105 32.953 1.00 15.37 ? 156 GLU A CB 1 ATOM 1418 C CG . GLU A 1 156 ? 48.343 40.461 32.989 1.00 20.28 ? 156 GLU A CG 1 ATOM 1419 C CD . GLU A 1 156 ? 48.870 41.363 34.086 1.00 24.16 ? 156 GLU A CD 1 ATOM 1420 O OE1 . GLU A 1 156 ? 50.015 41.182 34.542 1.00 25.74 ? 156 GLU A OE1 1 ATOM 1421 O OE2 . GLU A 1 156 ? 48.127 42.282 34.489 1.00 29.43 ? 156 GLU A OE2 1 ATOM 1422 H H . GLU A 1 156 ? 49.763 36.730 32.402 1.00 20.00 ? 156 GLU A H 1 ATOM 1423 N N . LEU A 1 157 ? 49.076 38.525 29.836 1.00 15.87 ? 157 LEU A N 1 ATOM 1424 C CA . LEU A 1 157 ? 49.069 38.952 28.442 1.00 16.40 ? 157 LEU A CA 1 ATOM 1425 C C . LEU A 1 157 ? 47.980 38.198 27.684 1.00 16.08 ? 157 LEU A C 1 ATOM 1426 O O . LEU A 1 157 ? 47.233 38.793 26.903 1.00 17.05 ? 157 LEU A O 1 ATOM 1427 C CB . LEU A 1 157 ? 50.436 38.640 27.811 1.00 19.52 ? 157 LEU A CB 1 ATOM 1428 C CG . LEU A 1 157 ? 50.823 39.095 26.390 1.00 25.59 ? 157 LEU A CG 1 ATOM 1429 C CD1 . LEU A 1 157 ? 51.164 37.884 25.526 1.00 26.90 ? 157 LEU A CD1 1 ATOM 1430 C CD2 . LEU A 1 157 ? 49.746 39.976 25.721 1.00 27.41 ? 157 LEU A CD2 1 ATOM 1431 H H . LEU A 1 157 ? 49.877 38.095 30.190 1.00 20.00 ? 157 LEU A H 1 ATOM 1432 N N . ALA A 1 158 ? 47.903 36.885 27.900 1.00 13.97 ? 158 ALA A N 1 ATOM 1433 C CA . ALA A 1 158 ? 46.907 36.049 27.239 1.00 13.49 ? 158 ALA A CA 1 ATOM 1434 C C . ALA A 1 158 ? 45.469 36.474 27.523 1.00 13.08 ? 158 ALA A C 1 ATOM 1435 O O . ALA A 1 158 ? 44.626 36.476 26.621 1.00 13.60 ? 158 ALA A O 1 ATOM 1436 C CB . ALA A 1 158 ? 47.102 34.605 27.629 1.00 12.95 ? 158 ALA A CB 1 ATOM 1437 H H . ALA A 1 158 ? 48.519 36.480 28.539 1.00 20.00 ? 158 ALA A H 1 ATOM 1438 N N . ALA A 1 159 ? 45.176 36.767 28.785 1.00 13.45 ? 159 ALA A N 1 ATOM 1439 C CA . ALA A 1 159 ? 43.829 37.181 29.189 1.00 12.70 ? 159 ALA A CA 1 ATOM 1440 C C . ALA A 1 159 ? 43.472 38.495 28.485 1.00 12.72 ? 159 ALA A C 1 ATOM 1441 O O . ALA A 1 159 ? 42.352 38.680 28.053 1.00 12.54 ? 159 ALA A O 1 ATOM 1442 C CB . ALA A 1 159 ? 43.760 37.365 30.727 1.00 11.51 ? 159 ALA A CB 1 ATOM 1443 H H . ALA A 1 159 ? 45.881 36.706 29.463 1.00 20.00 ? 159 ALA A H 1 ATOM 1444 N N . GLU A 1 160 ? 44.455 39.378 28.373 1.00 12.96 ? 160 GLU A N 1 ATOM 1445 C CA . GLU A 1 160 ? 44.288 40.685 27.746 1.00 16.20 ? 160 GLU A CA 1 ATOM 1446 C C . GLU A 1 160 ? 43.962 40.531 26.253 1.00 14.76 ? 160 GLU A C 1 ATOM 1447 O O . GLU A 1 160 ? 43.006 41.119 25.762 1.00 15.23 ? 160 GLU A O 1 ATOM 1448 C CB . GLU A 1 160 ? 45.567 41.481 27.967 1.00 17.82 ? 160 GLU A CB 1 ATOM 1449 C CG . GLU A 1 160 ? 45.540 42.880 27.470 1.00 28.80 ? 160 GLU A CG 1 ATOM 1450 C CD . GLU A 1 160 ? 46.761 43.674 27.916 1.00 34.06 ? 160 GLU A CD 1 ATOM 1451 O OE1 . GLU A 1 160 ? 46.777 44.900 27.656 1.00 38.88 ? 160 GLU A OE1 1 ATOM 1452 O OE2 . GLU A 1 160 ? 47.688 43.090 28.545 1.00 38.05 ? 160 GLU A OE2 1 ATOM 1453 H H . GLU A 1 160 ? 45.337 39.137 28.728 1.00 20.00 ? 160 GLU A H 1 ATOM 1454 N N . VAL A 1 161 ? 44.722 39.687 25.562 1.00 14.71 ? 161 VAL A N 1 ATOM 1455 C CA . VAL A 1 161 ? 44.524 39.404 24.142 1.00 15.93 ? 161 VAL A CA 1 ATOM 1456 C C . VAL A 1 161 ? 43.212 38.651 23.863 1.00 16.29 ? 161 VAL A C 1 ATOM 1457 O O . VAL A 1 161 ? 42.517 38.932 22.891 1.00 17.02 ? 161 VAL A O 1 ATOM 1458 C CB . VAL A 1 161 ? 45.717 38.584 23.565 1.00 15.34 ? 161 VAL A CB 1 ATOM 1459 C CG1 . VAL A 1 161 ? 45.391 38.050 22.187 1.00 15.48 ? 161 VAL A CG1 1 ATOM 1460 C CG2 . VAL A 1 161 ? 46.967 39.458 23.494 1.00 17.03 ? 161 VAL A CG2 1 ATOM 1461 H H . VAL A 1 161 ? 45.439 39.218 26.034 1.00 20.00 ? 161 VAL A H 1 ATOM 1462 N N . ALA A 1 162 ? 42.856 37.707 24.718 1.00 14.89 ? 162 ALA A N 1 ATOM 1463 C CA . ALA A 1 162 ? 41.631 36.950 24.502 1.00 15.45 ? 162 ALA A CA 1 ATOM 1464 C C . ALA A 1 162 ? 40.371 37.679 24.977 1.00 15.04 ? 162 ALA A C 1 ATOM 1465 O O . ALA A 1 162 ? 39.263 37.279 24.643 1.00 16.73 ? 162 ALA A O 1 ATOM 1466 C CB . ALA A 1 162 ? 41.727 35.569 25.170 1.00 14.11 ? 162 ALA A CB 1 ATOM 1467 H H . ALA A 1 162 ? 43.408 37.536 25.504 1.00 20.00 ? 162 ALA A H 1 ATOM 1468 N N . GLY A 1 163 ? 40.548 38.727 25.774 1.00 14.37 ? 163 GLY A N 1 ATOM 1469 C CA . GLY A 1 163 ? 39.418 39.475 26.304 1.00 13.05 ? 163 GLY A CA 1 ATOM 1470 C C . GLY A 1 163 ? 38.684 38.770 27.445 1.00 13.46 ? 163 GLY A C 1 ATOM 1471 O O . GLY A 1 163 ? 37.455 38.911 27.601 1.00 14.02 ? 163 GLY A O 1 ATOM 1472 H H . GLY A 1 163 ? 41.458 39.007 26.007 1.00 20.00 ? 163 GLY A H 1 ATOM 1473 N N . VAL A 1 164 ? 39.424 38.013 28.249 1.00 12.14 ? 164 VAL A N 1 ATOM 1474 C CA . VAL A 1 164 ? 38.819 37.298 29.379 1.00 11.84 ? 164 VAL A CA 1 ATOM 1475 C C . VAL A 1 164 ? 39.400 37.785 30.709 1.00 11.65 ? 164 VAL A C 1 ATOM 1476 O O . VAL A 1 164 ? 40.235 38.678 30.725 1.00 13.61 ? 164 VAL A O 1 ATOM 1477 C CB . VAL A 1 164 ? 38.962 35.794 29.199 1.00 11.39 ? 164 VAL A CB 1 ATOM 1478 C CG1 . VAL A 1 164 ? 38.286 35.397 27.868 1.00 10.29 ? 164 VAL A CG1 1 ATOM 1479 C CG2 . VAL A 1 164 ? 40.442 35.376 29.232 1.00 11.15 ? 164 VAL A CG2 1 ATOM 1480 H H . VAL A 1 164 ? 40.385 37.928 28.084 1.00 20.00 ? 164 VAL A H 1 ATOM 1481 N N . GLU A 1 165 ? 38.965 37.228 31.828 1.00 10.63 ? 165 GLU A N 1 ATOM 1482 C CA . GLU A 1 165 ? 39.484 37.699 33.094 1.00 11.23 ? 165 GLU A CA 1 ATOM 1483 C C . GLU A 1 165 ? 40.808 37.060 33.492 1.00 12.79 ? 165 GLU A C 1 ATOM 1484 O O . GLU A 1 165 ? 41.134 35.958 33.052 1.00 12.86 ? 165 GLU A O 1 ATOM 1485 C CB . GLU A 1 165 ? 38.450 37.476 34.188 1.00 12.28 ? 165 GLU A CB 1 ATOM 1486 C CG . GLU A 1 165 ? 37.182 38.267 33.948 1.00 13.59 ? 165 GLU A CG 1 ATOM 1487 C CD . GLU A 1 165 ? 36.099 37.884 34.912 1.00 14.70 ? 165 GLU A CD 1 ATOM 1488 O OE1 . GLU A 1 165 ? 35.495 36.821 34.721 1.00 15.86 ? 165 GLU A OE1 1 ATOM 1489 O OE2 . GLU A 1 165 ? 35.855 38.640 35.870 1.00 14.98 ? 165 GLU A OE2 1 ATOM 1490 H H . GLU A 1 165 ? 38.299 36.508 31.802 1.00 20.00 ? 165 GLU A H 1 ATOM 1491 N N . TYR A 1 166 ? 41.572 37.782 34.315 1.00 12.63 ? 166 TYR A N 1 ATOM 1492 C CA . TYR A 1 166 ? 42.864 37.326 34.827 1.00 11.63 ? 166 TYR A CA 1 ATOM 1493 C C . TYR A 1 166 ? 42.909 37.418 36.362 1.00 12.46 ? 166 TYR A C 1 ATOM 1494 O O . TYR A 1 166 ? 42.472 38.401 36.945 1.00 13.21 ? 166 TYR A O 1 ATOM 1495 C CB . TYR A 1 166 ? 44.008 38.194 34.273 1.00 12.54 ? 166 TYR A CB 1 ATOM 1496 C CG . TYR A 1 166 ? 45.364 37.906 34.897 1.00 12.27 ? 166 TYR A CG 1 ATOM 1497 C CD1 . TYR A 1 166 ? 45.973 36.660 34.731 1.00 11.63 ? 166 TYR A CD1 1 ATOM 1498 C CD2 . TYR A 1 166 ? 46.043 38.890 35.637 1.00 11.43 ? 166 TYR A CD2 1 ATOM 1499 C CE1 . TYR A 1 166 ? 47.230 36.390 35.281 1.00 13.99 ? 166 TYR A CE1 1 ATOM 1500 C CE2 . TYR A 1 166 ? 47.314 38.643 36.192 1.00 13.12 ? 166 TYR A CE2 1 ATOM 1501 C CZ . TYR A 1 166 ? 47.906 37.383 36.008 1.00 14.45 ? 166 TYR A CZ 1 ATOM 1502 O OH . TYR A 1 166 ? 49.175 37.120 36.515 1.00 14.94 ? 166 TYR A OH 1 ATOM 1503 H H . TYR A 1 166 ? 41.239 38.647 34.614 1.00 20.00 ? 166 TYR A H 1 ATOM 1504 H HH . TYR A 1 166 ? 49.443 36.231 36.274 1.00 20.00 ? 166 TYR A HH 1 ATOM 1505 N N . VAL A 1 167 ? 43.437 36.392 37.011 1.00 11.35 ? 167 VAL A N 1 ATOM 1506 C CA . VAL A 1 167 ? 43.592 36.391 38.467 1.00 11.45 ? 167 VAL A CA 1 ATOM 1507 C C . VAL A 1 167 ? 45.068 36.082 38.710 1.00 10.35 ? 167 VAL A C 1 ATOM 1508 O O . VAL A 1 167 ? 45.599 35.092 38.197 1.00 10.02 ? 167 VAL A O 1 ATOM 1509 C CB . VAL A 1 167 ? 42.737 35.312 39.165 1.00 11.73 ? 167 VAL A CB 1 ATOM 1510 C CG1 . VAL A 1 167 ? 43.113 35.240 40.632 1.00 13.22 ? 167 VAL A CG1 1 ATOM 1511 C CG2 . VAL A 1 167 ? 41.243 35.626 39.010 1.00 13.40 ? 167 VAL A CG2 1 ATOM 1512 H H . VAL A 1 167 ? 43.729 35.606 36.508 1.00 20.00 ? 167 VAL A H 1 ATOM 1513 N N . ASP A 1 168 ? 45.736 36.960 39.448 1.00 10.35 ? 168 ASP A N 1 ATOM 1514 C CA . ASP A 1 168 ? 47.144 36.777 39.725 1.00 10.37 ? 168 ASP A CA 1 ATOM 1515 C C . ASP A 1 168 ? 47.321 35.882 40.941 1.00 10.05 ? 168 ASP A C 1 ATOM 1516 O O . ASP A 1 168 ? 47.657 36.340 42.043 1.00 9.69 ? 168 ASP A O 1 ATOM 1517 C CB . ASP A 1 168 ? 47.836 38.125 39.917 1.00 9.95 ? 168 ASP A CB 1 ATOM 1518 C CG . ASP A 1 168 ? 49.353 38.002 39.950 1.00 11.76 ? 168 ASP A CG 1 ATOM 1519 O OD1 . ASP A 1 168 ? 49.900 36.882 39.879 1.00 12.41 ? 168 ASP A OD1 1 ATOM 1520 O OD2 . ASP A 1 168 ? 50.011 39.047 40.059 1.00 15.42 ? 168 ASP A OD2 1 ATOM 1521 H H . ASP A 1 168 ? 45.273 37.731 39.814 1.00 20.00 ? 168 ASP A H 1 ATOM 1522 N N . HIS A 1 169 ? 47.088 34.592 40.726 1.00 10.40 ? 169 HIS A N 1 ATOM 1523 C CA . HIS A 1 169 ? 47.227 33.597 41.788 1.00 9.38 ? 169 HIS A CA 1 ATOM 1524 C C . HIS A 1 169 ? 48.660 33.601 42.342 1.00 10.37 ? 169 HIS A C 1 ATOM 1525 O O . HIS A 1 169 ? 48.855 33.488 43.550 1.00 11.83 ? 169 HIS A O 1 ATOM 1526 C CB . HIS A 1 169 ? 46.796 32.202 41.280 1.00 8.70 ? 169 HIS A CB 1 ATOM 1527 C CG . HIS A 1 169 ? 46.506 31.219 42.371 1.00 9.02 ? 169 HIS A CG 1 ATOM 1528 N ND1 . HIS A 1 169 ? 46.313 29.873 42.129 1.00 9.46 ? 169 HIS A ND1 1 ATOM 1529 C CD2 . HIS A 1 169 ? 46.362 31.383 43.709 1.00 9.10 ? 169 HIS A CD2 1 ATOM 1530 C CE1 . HIS A 1 169 ? 46.058 29.251 43.267 1.00 10.05 ? 169 HIS A CE1 1 ATOM 1531 N NE2 . HIS A 1 169 ? 46.084 30.143 44.242 1.00 9.78 ? 169 HIS A NE2 1 ATOM 1532 H H . HIS A 1 169 ? 46.846 34.292 39.826 1.00 20.00 ? 169 HIS A H 1 ATOM 1533 H HD1 . HIS A 1 169 ? 46.390 29.383 41.318 1.00 20.00 ? 169 HIS A HD1 1 ATOM 1534 H HE2 . HIS A 1 169 ? 45.984 29.967 45.189 1.00 20.00 ? 169 HIS A HE2 1 ATOM 1535 N N . TRP A 1 170 ? 49.656 33.743 41.470 1.00 10.48 ? 170 TRP A N 1 ATOM 1536 C CA . TRP A 1 170 ? 51.055 33.762 41.905 1.00 10.54 ? 170 TRP A CA 1 ATOM 1537 C C . TRP A 1 170 ? 51.307 34.768 43.023 1.00 11.38 ? 170 TRP A C 1 ATOM 1538 O O . TRP A 1 170 ? 51.848 34.414 44.079 1.00 12.08 ? 170 TRP A O 1 ATOM 1539 C CB . TRP A 1 170 ? 51.987 34.112 40.732 1.00 12.12 ? 170 TRP A CB 1 ATOM 1540 C CG . TRP A 1 170 ? 53.418 34.409 41.167 1.00 13.56 ? 170 TRP A CG 1 ATOM 1541 C CD1 . TRP A 1 170 ? 53.901 35.575 41.752 1.00 14.39 ? 170 TRP A CD1 1 ATOM 1542 C CD2 . TRP A 1 170 ? 54.524 33.506 41.119 1.00 15.36 ? 170 TRP A CD2 1 ATOM 1543 N NE1 . TRP A 1 170 ? 55.231 35.424 42.080 1.00 15.74 ? 170 TRP A NE1 1 ATOM 1544 C CE2 . TRP A 1 170 ? 55.640 34.170 41.704 1.00 14.39 ? 170 TRP A CE2 1 ATOM 1545 C CE3 . TRP A 1 170 ? 54.687 32.204 40.632 1.00 15.44 ? 170 TRP A CE3 1 ATOM 1546 C CZ2 . TRP A 1 170 ? 56.899 33.566 41.817 1.00 16.40 ? 170 TRP A CZ2 1 ATOM 1547 C CZ3 . TRP A 1 170 ? 55.954 31.600 40.740 1.00 18.42 ? 170 TRP A CZ3 1 ATOM 1548 C CH2 . TRP A 1 170 ? 57.042 32.290 41.333 1.00 17.30 ? 170 TRP A CH2 1 ATOM 1549 H H . TRP A 1 170 ? 49.443 33.829 40.520 1.00 20.00 ? 170 TRP A H 1 ATOM 1550 H HE1 . TRP A 1 170 ? 55.786 36.105 42.514 1.00 20.00 ? 170 TRP A HE1 1 ATOM 1551 N N . SER A 1 171 ? 50.959 36.032 42.774 1.00 11.10 ? 171 SER A N 1 ATOM 1552 C CA . SER A 1 171 ? 51.213 37.090 43.747 1.00 12.00 ? 171 SER A CA 1 ATOM 1553 C C . SER A 1 171 ? 50.482 36.905 45.067 1.00 12.16 ? 171 SER A C 1 ATOM 1554 O O . SER A 1 171 ? 51.052 37.142 46.137 1.00 12.06 ? 171 SER A O 1 ATOM 1555 C CB . SER A 1 171 ? 50.908 38.459 43.142 1.00 13.13 ? 171 SER A CB 1 ATOM 1556 O OG . SER A 1 171 ? 51.823 38.739 42.087 1.00 14.54 ? 171 SER A OG 1 ATOM 1557 H H . SER A 1 171 ? 50.505 36.249 41.935 1.00 20.00 ? 171 SER A H 1 ATOM 1558 H HG . SER A 1 171 ? 52.725 38.734 42.414 1.00 20.00 ? 171 SER A HG 1 ATOM 1559 N N . TYR A 1 172 ? 49.257 36.392 44.995 1.00 11.88 ? 172 TYR A N 1 ATOM 1560 C CA . TYR A 1 172 ? 48.478 36.187 46.192 1.00 10.57 ? 172 TYR A CA 1 ATOM 1561 C C . TYR A 1 172 ? 49.018 35.060 47.049 1.00 10.42 ? 172 TYR A C 1 ATOM 1562 O O . TYR A 1 172 ? 48.984 35.149 48.261 1.00 11.85 ? 172 TYR A O 1 ATOM 1563 C CB . TYR A 1 172 ? 46.996 36.033 45.839 1.00 11.65 ? 172 TYR A CB 1 ATOM 1564 C CG . TYR A 1 172 ? 46.344 37.384 45.718 1.00 9.80 ? 172 TYR A CG 1 ATOM 1565 C CD1 . TYR A 1 172 ? 46.385 38.104 44.511 1.00 8.90 ? 172 TYR A CD1 1 ATOM 1566 C CD2 . TYR A 1 172 ? 45.742 37.976 46.829 1.00 9.74 ? 172 TYR A CD2 1 ATOM 1567 C CE1 . TYR A 1 172 ? 45.843 39.376 44.416 1.00 9.76 ? 172 TYR A CE1 1 ATOM 1568 C CE2 . TYR A 1 172 ? 45.188 39.256 46.757 1.00 10.73 ? 172 TYR A CE2 1 ATOM 1569 C CZ . TYR A 1 172 ? 45.239 39.957 45.554 1.00 11.46 ? 172 TYR A CZ 1 ATOM 1570 O OH . TYR A 1 172 ? 44.681 41.225 45.500 1.00 12.55 ? 172 TYR A OH 1 ATOM 1571 H H . TYR A 1 172 ? 48.885 36.139 44.124 1.00 20.00 ? 172 TYR A H 1 ATOM 1572 H HH . TYR A 1 172 ? 44.336 41.467 46.362 1.00 20.00 ? 172 TYR A HH 1 ATOM 1573 N N . VAL A 1 173 ? 49.515 33.997 46.419 1.00 10.55 ? 173 VAL A N 1 ATOM 1574 C CA . VAL A 1 173 ? 50.127 32.902 47.174 1.00 10.62 ? 173 VAL A CA 1 ATOM 1575 C C . VAL A 1 173 ? 51.476 33.354 47.762 1.00 10.54 ? 173 VAL A C 1 ATOM 1576 O O . VAL A 1 173 ? 51.752 33.128 48.949 1.00 10.99 ? 173 VAL A O 1 ATOM 1577 C CB . VAL A 1 173 ? 50.360 31.645 46.310 1.00 10.61 ? 173 VAL A CB 1 ATOM 1578 C CG1 . VAL A 1 173 ? 51.075 30.599 47.148 1.00 10.66 ? 173 VAL A CG1 1 ATOM 1579 C CG2 . VAL A 1 173 ? 49.011 31.088 45.788 1.00 9.66 ? 173 VAL A CG2 1 ATOM 1580 H H . VAL A 1 173 ? 49.467 33.950 45.443 1.00 20.00 ? 173 VAL A H 1 ATOM 1581 N N . ASP A 1 174 ? 52.314 33.995 46.947 1.00 11.85 ? 174 ASP A N 1 ATOM 1582 C CA . ASP A 1 174 ? 53.610 34.476 47.441 1.00 12.53 ? 174 ASP A CA 1 ATOM 1583 C C . ASP A 1 174 ? 53.496 35.495 48.581 1.00 12.69 ? 174 ASP A C 1 ATOM 1584 O O . ASP A 1 174 ? 54.321 35.492 49.491 1.00 13.80 ? 174 ASP A O 1 ATOM 1585 C CB . ASP A 1 174 ? 54.502 35.024 46.321 1.00 13.55 ? 174 ASP A CB 1 ATOM 1586 C CG . ASP A 1 174 ? 55.733 34.141 46.066 1.00 15.01 ? 174 ASP A CG 1 ATOM 1587 O OD1 . ASP A 1 174 ? 55.906 33.086 46.717 1.00 17.24 ? 174 ASP A OD1 1 ATOM 1588 O OD2 . ASP A 1 174 ? 56.533 34.512 45.204 1.00 19.25 ? 174 ASP A OD2 1 ATOM 1589 H H . ASP A 1 174 ? 52.063 34.137 46.015 1.00 20.00 ? 174 ASP A H 1 ATOM 1590 N N . SER A 1 175 ? 52.466 36.336 48.537 1.00 12.62 ? 175 SER A N 1 ATOM 1591 C CA . SER A 1 175 ? 52.215 37.324 49.592 1.00 14.08 ? 175 SER A CA 1 ATOM 1592 C C . SER A 1 175 ? 51.880 36.610 50.916 1.00 13.95 ? 175 SER A C 1 ATOM 1593 O O . SER A 1 175 ? 52.437 36.954 51.963 1.00 14.96 ? 175 SER A O 1 ATOM 1594 C CB . SER A 1 175 ? 51.066 38.262 49.194 1.00 16.48 ? 175 SER A CB 1 ATOM 1595 O OG . SER A 1 175 ? 50.631 39.010 50.315 1.00 21.01 ? 175 SER A OG 1 ATOM 1596 H H . SER A 1 175 ? 51.852 36.280 47.777 1.00 20.00 ? 175 SER A H 1 ATOM 1597 H HG . SER A 1 175 ? 49.912 39.589 50.049 1.00 20.00 ? 175 SER A HG 1 ATOM 1598 N N . ILE A 1 176 ? 51.012 35.600 50.874 1.00 11.76 ? 176 ILE A N 1 ATOM 1599 C CA . ILE A 1 176 ? 50.680 34.869 52.095 1.00 13.02 ? 176 ILE A CA 1 ATOM 1600 C C . ILE A 1 176 ? 51.862 33.992 52.595 1.00 12.65 ? 176 ILE A C 1 ATOM 1601 O O . ILE A 1 176 ? 52.117 33.914 53.795 1.00 12.09 ? 176 ILE A O 1 ATOM 1602 C CB . ILE A 1 176 ? 49.337 34.078 51.954 1.00 15.34 ? 176 ILE A CB 1 ATOM 1603 C CG1 . ILE A 1 176 ? 48.715 33.912 53.331 1.00 18.08 ? 176 ILE A CG1 1 ATOM 1604 C CG2 . ILE A 1 176 ? 49.526 32.752 51.283 1.00 15.27 ? 176 ILE A CG2 1 ATOM 1605 C CD1 . ILE A 1 176 ? 48.301 35.267 53.896 1.00 22.53 ? 176 ILE A CD1 1 ATOM 1606 H H . ILE A 1 176 ? 50.607 35.337 50.022 1.00 20.00 ? 176 ILE A H 1 ATOM 1607 N N . TYR A 1 177 ? 52.642 33.427 51.671 1.00 12.30 ? 177 TYR A N 1 ATOM 1608 C CA . TYR A 1 177 ? 53.797 32.615 52.055 1.00 12.86 ? 177 TYR A CA 1 ATOM 1609 C C . TYR A 1 177 ? 54.820 33.489 52.762 1.00 12.72 ? 177 TYR A C 1 ATOM 1610 O O . TYR A 1 177 ? 55.442 33.058 53.731 1.00 12.68 ? 177 TYR A O 1 ATOM 1611 C CB . TYR A 1 177 ? 54.482 31.977 50.840 1.00 12.41 ? 177 TYR A CB 1 ATOM 1612 C CG . TYR A 1 177 ? 53.849 30.721 50.293 1.00 10.69 ? 177 TYR A CG 1 ATOM 1613 C CD1 . TYR A 1 177 ? 52.779 30.099 50.942 1.00 10.14 ? 177 TYR A CD1 1 ATOM 1614 C CD2 . TYR A 1 177 ? 54.339 30.145 49.109 1.00 12.12 ? 177 TYR A CD2 1 ATOM 1615 C CE1 . TYR A 1 177 ? 52.201 28.927 50.426 1.00 11.43 ? 177 TYR A CE1 1 ATOM 1616 C CE2 . TYR A 1 177 ? 53.775 28.978 48.589 1.00 11.99 ? 177 TYR A CE2 1 ATOM 1617 C CZ . TYR A 1 177 ? 52.710 28.376 49.251 1.00 10.76 ? 177 TYR A CZ 1 ATOM 1618 O OH . TYR A 1 177 ? 52.164 27.227 48.747 1.00 11.69 ? 177 TYR A OH 1 ATOM 1619 H H . TYR A 1 177 ? 52.458 33.592 50.727 1.00 20.00 ? 177 TYR A H 1 ATOM 1620 H HH . TYR A 1 177 ? 52.695 26.918 48.013 1.00 20.00 ? 177 TYR A HH 1 ATOM 1621 N N . GLU A 1 178 ? 54.996 34.709 52.274 1.00 11.56 ? 178 GLU A N 1 ATOM 1622 C CA . GLU A 1 178 ? 55.963 35.607 52.891 1.00 14.47 ? 178 GLU A CA 1 ATOM 1623 C C . GLU A 1 178 ? 55.575 35.893 54.324 1.00 15.42 ? 178 GLU A C 1 ATOM 1624 O O . GLU A 1 178 ? 56.432 35.893 55.209 1.00 16.03 ? 178 GLU A O 1 ATOM 1625 C CB . GLU A 1 178 ? 56.078 36.915 52.134 1.00 15.72 ? 178 GLU A CB 1 ATOM 1626 C CG . GLU A 1 178 ? 57.173 37.812 52.693 1.00 20.26 ? 178 GLU A CG 1 ATOM 1627 C CD . GLU A 1 178 ? 57.310 39.128 51.942 1.00 25.06 ? 178 GLU A CD 1 ATOM 1628 O OE1 . GLU A 1 178 ? 56.350 39.553 51.238 1.00 28.60 ? 178 GLU A OE1 1 ATOM 1629 O OE2 . GLU A 1 178 ? 58.389 39.743 52.053 1.00 26.17 ? 178 GLU A OE2 1 ATOM 1630 H H . GLU A 1 178 ? 54.472 35.007 51.504 1.00 20.00 ? 178 GLU A H 1 ATOM 1631 N N . THR A 1 179 ? 54.283 36.084 54.566 1.00 14.83 ? 179 THR A N 1 ATOM 1632 C CA . THR A 1 179 ? 53.846 36.367 55.923 1.00 17.23 ? 179 THR A CA 1 ATOM 1633 C C . THR A 1 179 ? 53.814 35.140 56.831 1.00 17.38 ? 179 THR A C 1 ATOM 1634 O O . THR A 1 179 ? 54.010 35.289 58.041 1.00 19.19 ? 179 THR A O 1 ATOM 1635 C CB . THR A 1 179 ? 52.490 37.084 55.992 1.00 18.71 ? 179 THR A CB 1 ATOM 1636 O OG1 . THR A 1 179 ? 51.442 36.177 55.650 1.00 23.42 ? 179 THR A OG1 1 ATOM 1637 C CG2 . THR A 1 179 ? 52.470 38.274 55.071 1.00 19.30 ? 179 THR A CG2 1 ATOM 1638 H H . THR A 1 179 ? 53.630 36.027 53.838 1.00 20.00 ? 179 THR A H 1 ATOM 1639 H HG1 . THR A 1 179 ? 51.396 35.443 56.269 1.00 20.00 ? 179 THR A HG1 1 ATOM 1640 N N . LEU A 1 180 ? 53.609 33.942 56.267 1.00 15.84 ? 180 LEU A N 1 ATOM 1641 C CA . LEU A 1 180 ? 53.568 32.716 57.079 1.00 15.48 ? 180 LEU A CA 1 ATOM 1642 C C . LEU A 1 180 ? 54.945 32.342 57.648 1.00 16.21 ? 180 LEU A C 1 ATOM 1643 O O . LEU A 1 180 ? 55.037 31.708 58.706 1.00 15.86 ? 180 LEU A O 1 ATOM 1644 C CB . LEU A 1 180 ? 52.988 31.537 56.300 1.00 14.57 ? 180 LEU A CB 1 ATOM 1645 C CG . LEU A 1 180 ? 51.498 31.705 55.968 1.00 15.84 ? 180 LEU A CG 1 ATOM 1646 C CD1 . LEU A 1 180 ? 51.017 30.583 55.076 1.00 17.26 ? 180 LEU A CD1 1 ATOM 1647 C CD2 . LEU A 1 180 ? 50.682 31.772 57.246 1.00 17.53 ? 180 LEU A CD2 1 ATOM 1648 H H . LEU A 1 180 ? 53.499 33.882 55.298 1.00 20.00 ? 180 LEU A H 1 ATOM 1649 N N . GLY A 1 181 ? 56.006 32.714 56.941 1.00 15.17 ? 181 GLY A N 1 ATOM 1650 C CA . GLY A 1 181 ? 57.328 32.420 57.450 1.00 15.01 ? 181 GLY A CA 1 ATOM 1651 C C . GLY A 1 181 ? 57.944 31.137 56.960 1.00 15.13 ? 181 GLY A C 1 ATOM 1652 O O . GLY A 1 181 ? 57.277 30.263 56.416 1.00 14.39 ? 181 GLY A O 1 ATOM 1653 H H . GLY A 1 181 ? 55.896 33.186 56.089 1.00 20.00 ? 181 GLY A H 1 ATOM 1654 N N . ASN A 1 182 ? 59.236 31.008 57.249 1.00 15.56 ? 182 ASN A N 1 ATOM 1655 C CA . ASN A 1 182 ? 60.041 29.866 56.841 1.00 15.03 ? 182 ASN A CA 1 ATOM 1656 C C . ASN A 1 182 ? 59.605 28.462 57.294 1.00 13.79 ? 182 ASN A C 1 ATOM 1657 O O . ASN A 1 182 ? 59.425 27.556 56.460 1.00 13.23 ? 182 ASN A O 1 ATOM 1658 C CB . ASN A 1 182 ? 61.513 30.126 57.207 1.00 16.46 ? 182 ASN A CB 1 ATOM 1659 C CG . ASN A 1 182 ? 62.368 28.943 56.915 1.00 17.96 ? 182 ASN A CG 1 ATOM 1660 O OD1 . ASN A 1 182 ? 62.564 28.583 55.762 1.00 18.78 ? 182 ASN A OD1 1 ATOM 1661 N ND2 . ASN A 1 182 ? 62.917 28.351 57.959 1.00 19.52 ? 182 ASN A ND2 1 ATOM 1662 H H . ASN A 1 182 ? 59.667 31.722 57.762 1.00 20.00 ? 182 ASN A H 1 ATOM 1663 H HD22 . ASN A 1 182 ? 62.654 28.622 58.863 1.00 0.00 ? 182 ASN A HD22 1 ATOM 1664 N N . ALA A 1 183 ? 59.451 28.268 58.604 1.00 14.46 ? 183 ALA A N 1 ATOM 1665 C CA . ALA A 1 183 ? 59.067 26.957 59.145 1.00 15.13 ? 183 ALA A CA 1 ATOM 1666 C C . ALA A 1 183 ? 57.732 26.457 58.617 1.00 15.26 ? 183 ALA A C 1 ATOM 1667 O O . ALA A 1 183 ? 57.630 25.321 58.152 1.00 16.15 ? 183 ALA A O 1 ATOM 1668 C CB . ALA A 1 183 ? 59.040 26.988 60.674 1.00 17.13 ? 183 ALA A CB 1 ATOM 1669 H H . ALA A 1 183 ? 59.594 29.018 59.218 1.00 20.00 ? 183 ALA A H 1 ATOM 1670 N N . THR A 1 184 ? 56.714 27.313 58.667 1.00 13.98 ? 184 THR A N 1 ATOM 1671 C CA . THR A 1 184 ? 55.385 26.924 58.203 1.00 12.96 ? 184 THR A CA 1 ATOM 1672 C C . THR A 1 184 ? 55.337 26.616 56.718 1.00 12.31 ? 184 THR A C 1 ATOM 1673 O O . THR A 1 184 ? 54.824 25.566 56.328 1.00 13.49 ? 184 THR A O 1 ATOM 1674 C CB . THR A 1 184 ? 54.363 28.006 58.503 1.00 13.78 ? 184 THR A CB 1 ATOM 1675 O OG1 . THR A 1 184 ? 54.294 28.204 59.923 1.00 17.18 ? 184 THR A OG1 1 ATOM 1676 C CG2 . THR A 1 184 ? 52.953 27.609 57.959 1.00 12.83 ? 184 THR A CG2 1 ATOM 1677 H H . THR A 1 184 ? 56.860 28.213 59.021 1.00 20.00 ? 184 THR A H 1 ATOM 1678 H HG1 . THR A 1 184 ? 55.151 28.461 60.270 1.00 20.00 ? 184 THR A HG1 1 ATOM 1679 N N . VAL A 1 185 ? 55.858 27.510 55.879 1.00 11.75 ? 185 VAL A N 1 ATOM 1680 C CA . VAL A 1 185 ? 55.812 27.247 54.439 1.00 12.74 ? 185 VAL A CA 1 ATOM 1681 C C . VAL A 1 185 ? 56.602 25.988 54.030 1.00 13.15 ? 185 VAL A C 1 ATOM 1682 O O . VAL A 1 185 ? 56.126 25.194 53.211 1.00 13.30 ? 185 VAL A O 1 ATOM 1683 C CB . VAL A 1 185 ? 56.193 28.475 53.623 1.00 12.24 ? 185 VAL A CB 1 ATOM 1684 C CG1 . VAL A 1 185 ? 56.166 28.157 52.134 1.00 13.25 ? 185 VAL A CG1 1 ATOM 1685 C CG2 . VAL A 1 185 ? 55.225 29.602 53.936 1.00 10.57 ? 185 VAL A CG2 1 ATOM 1686 H H . VAL A 1 185 ? 56.269 28.331 56.223 1.00 20.00 ? 185 VAL A H 1 ATOM 1687 N N . ASN A 1 186 ? 57.752 25.750 54.669 1.00 13.55 ? 186 ASN A N 1 ATOM 1688 C CA . ASN A 1 186 ? 58.525 24.552 54.358 1.00 13.16 ? 186 ASN A CA 1 ATOM 1689 C C . ASN A 1 186 ? 57.756 23.275 54.714 1.00 12.49 ? 186 ASN A C 1 ATOM 1690 O O . ASN A 1 186 ? 57.900 22.242 54.061 1.00 13.76 ? 186 ASN A O 1 ATOM 1691 C CB . ASN A 1 186 ? 59.893 24.587 55.048 1.00 14.08 ? 186 ASN A CB 1 ATOM 1692 C CG . ASN A 1 186 ? 60.934 25.272 54.206 1.00 14.79 ? 186 ASN A CG 1 ATOM 1693 O OD1 . ASN A 1 186 ? 61.297 24.780 53.140 1.00 16.86 ? 186 ASN A OD1 1 ATOM 1694 N ND2 . ASN A 1 186 ? 61.412 26.415 54.665 1.00 17.55 ? 186 ASN A ND2 1 ATOM 1695 H H . ASN A 1 186 ? 58.073 26.381 55.345 1.00 20.00 ? 186 ASN A H 1 ATOM 1696 H HD21 . ASN A 1 186 ? 61.078 26.749 55.522 1.00 0.00 ? 186 ASN A HD21 1 ATOM 1697 H HD22 . ASN A 1 186 ? 62.083 26.887 54.128 1.00 0.00 ? 186 ASN A HD22 1 ATOM 1698 N N . SER A 1 187 ? 56.879 23.365 55.705 1.00 13.31 ? 187 SER A N 1 ATOM 1699 C CA . SER A 1 187 ? 56.084 22.209 56.105 1.00 12.96 ? 187 SER A CA 1 ATOM 1700 C C . SER A 1 187 ? 55.031 21.881 55.039 1.00 12.04 ? 187 SER A C 1 ATOM 1701 O O . SER A 1 187 ? 54.513 20.770 54.994 1.00 12.96 ? 187 SER A O 1 ATOM 1702 C CB . SER A 1 187 ? 55.446 22.438 57.483 1.00 12.72 ? 187 SER A CB 1 ATOM 1703 O OG . SER A 1 187 ? 54.314 23.281 57.417 1.00 16.53 ? 187 SER A OG 1 ATOM 1704 H H . SER A 1 187 ? 56.765 24.217 56.175 1.00 20.00 ? 187 SER A H 1 ATOM 1705 H HG . SER A 1 187 ? 53.656 22.916 56.822 1.00 20.00 ? 187 SER A HG 1 ATOM 1706 N N . TYR A 1 188 ? 54.742 22.839 54.165 1.00 12.14 ? 188 TYR A N 1 ATOM 1707 C CA . TYR A 1 188 ? 53.783 22.612 53.093 1.00 11.41 ? 188 TYR A CA 1 ATOM 1708 C C . TYR A 1 188 ? 54.393 21.847 51.924 1.00 11.91 ? 188 TYR A C 1 ATOM 1709 O O . TYR A 1 188 ? 53.675 21.411 51.040 1.00 11.51 ? 188 TYR A O 1 ATOM 1710 C CB . TYR A 1 188 ? 53.239 23.932 52.555 1.00 11.39 ? 188 TYR A CB 1 ATOM 1711 C CG . TYR A 1 188 ? 52.443 24.760 53.540 1.00 11.27 ? 188 TYR A CG 1 ATOM 1712 C CD1 . TYR A 1 188 ? 52.276 26.133 53.332 1.00 12.75 ? 188 TYR A CD1 1 ATOM 1713 C CD2 . TYR A 1 188 ? 51.816 24.186 54.634 1.00 12.40 ? 188 TYR A CD2 1 ATOM 1714 C CE1 . TYR A 1 188 ? 51.505 26.918 54.171 1.00 13.81 ? 188 TYR A CE1 1 ATOM 1715 C CE2 . TYR A 1 188 ? 51.025 24.974 55.508 1.00 13.57 ? 188 TYR A CE2 1 ATOM 1716 C CZ . TYR A 1 188 ? 50.880 26.340 55.262 1.00 13.12 ? 188 TYR A CZ 1 ATOM 1717 O OH . TYR A 1 188 ? 50.160 27.149 56.098 1.00 12.50 ? 188 TYR A OH 1 ATOM 1718 H H . TYR A 1 188 ? 55.168 23.715 54.257 1.00 20.00 ? 188 TYR A H 1 ATOM 1719 H HH . TYR A 1 188 ? 50.170 28.046 55.758 1.00 20.00 ? 188 TYR A HH 1 ATOM 1720 N N . PHE A 1 189 ? 55.718 21.710 51.908 1.00 13.04 ? 189 PHE A N 1 ATOM 1721 C CA . PHE A 1 189 ? 56.416 21.024 50.811 1.00 14.62 ? 189 PHE A CA 1 ATOM 1722 C C . PHE A 1 189 ? 57.172 19.817 51.360 1.00 16.05 ? 189 PHE A C 1 ATOM 1723 O O . PHE A 1 189 ? 58.397 19.857 51.528 1.00 15.20 ? 189 PHE A O 1 ATOM 1724 C CB . PHE A 1 189 ? 57.358 22.009 50.128 1.00 13.20 ? 189 PHE A CB 1 ATOM 1725 C CG . PHE A 1 189 ? 56.635 23.124 49.436 1.00 13.40 ? 189 PHE A CG 1 ATOM 1726 C CD1 . PHE A 1 189 ? 56.315 24.295 50.117 1.00 13.43 ? 189 PHE A CD1 1 ATOM 1727 C CD2 . PHE A 1 189 ? 56.240 22.990 48.110 1.00 14.00 ? 189 PHE A CD2 1 ATOM 1728 C CE1 . PHE A 1 189 ? 55.611 25.315 49.484 1.00 12.87 ? 189 PHE A CE1 1 ATOM 1729 C CE2 . PHE A 1 189 ? 55.542 23.997 47.474 1.00 14.37 ? 189 PHE A CE2 1 ATOM 1730 C CZ . PHE A 1 189 ? 55.223 25.166 48.156 1.00 13.27 ? 189 PHE A CZ 1 ATOM 1731 H H . PHE A 1 189 ? 56.246 22.085 52.642 1.00 20.00 ? 189 PHE A H 1 ATOM 1732 N N . PRO A 1 190 ? 56.449 18.696 51.544 1.00 16.94 ? 190 PRO A N 1 ATOM 1733 C CA . PRO A 1 190 ? 56.996 17.450 52.089 1.00 18.10 ? 190 PRO A CA 1 ATOM 1734 C C . PRO A 1 190 ? 58.019 16.638 51.304 1.00 18.90 ? 190 PRO A C 1 ATOM 1735 O O . PRO A 1 190 ? 58.882 15.986 51.919 1.00 18.58 ? 190 PRO A O 1 ATOM 1736 C CB . PRO A 1 190 ? 55.741 16.632 52.392 1.00 18.42 ? 190 PRO A CB 1 ATOM 1737 C CG . PRO A 1 190 ? 54.800 17.063 51.278 1.00 17.57 ? 190 PRO A CG 1 ATOM 1738 C CD . PRO A 1 190 ? 55.013 18.548 51.212 1.00 16.06 ? 190 PRO A CD 1 ATOM 1739 N N . ILE A 1 191 ? 57.962 16.682 49.977 1.00 16.70 ? 191 ILE A N 1 ATOM 1740 C CA . ILE A 1 191 ? 58.867 15.852 49.211 1.00 18.24 ? 191 ILE A CA 1 ATOM 1741 C C . ILE A 1 191 ? 59.677 16.535 48.129 1.00 18.82 ? 191 ILE A C 1 ATOM 1742 O O . ILE A 1 191 ? 60.587 15.925 47.565 1.00 20.25 ? 191 ILE A O 1 ATOM 1743 C CB . ILE A 1 191 ? 58.100 14.666 48.594 1.00 19.63 ? 191 ILE A CB 1 ATOM 1744 C CG1 . ILE A 1 191 ? 56.931 15.180 47.741 1.00 20.61 ? 191 ILE A CG1 1 ATOM 1745 C CG2 . ILE A 1 191 ? 57.611 13.748 49.698 1.00 18.31 ? 191 ILE A CG2 1 ATOM 1746 C CD1 . ILE A 1 191 ? 56.354 14.130 46.858 1.00 24.10 ? 191 ILE A CD1 1 ATOM 1747 H H . ILE A 1 191 ? 57.316 17.265 49.525 1.00 20.00 ? 191 ILE A H 1 ATOM 1748 N N . ASP A 1 192 ? 59.304 17.759 47.776 1.00 16.84 ? 192 ASP A N 1 ATOM 1749 C CA . ASP A 1 192 ? 60.032 18.507 46.752 1.00 17.17 ? 192 ASP A CA 1 ATOM 1750 C C . ASP A 1 192 ? 59.607 19.959 46.896 1.00 16.73 ? 192 ASP A C 1 ATOM 1751 O O . ASP A 1 192 ? 58.765 20.265 47.743 1.00 19.22 ? 192 ASP A O 1 ATOM 1752 C CB . ASP A 1 192 ? 59.729 17.971 45.339 1.00 15.84 ? 192 ASP A CB 1 ATOM 1753 C CG . ASP A 1 192 ? 58.232 17.936 45.014 1.00 16.67 ? 192 ASP A CG 1 ATOM 1754 O OD1 . ASP A 1 192 ? 57.510 18.904 45.272 1.00 18.10 ? 192 ASP A OD1 1 ATOM 1755 O OD2 . ASP A 1 192 ? 57.762 16.926 44.479 1.00 18.14 ? 192 ASP A OD2 1 ATOM 1756 H H . ASP A 1 192 ? 58.523 18.161 48.211 1.00 20.00 ? 192 ASP A H 1 ATOM 1757 N N . HIS A 1 193 ? 60.130 20.839 46.052 1.00 15.35 ? 193 HIS A N 1 ATOM 1758 C CA . HIS A 1 193 ? 59.771 22.257 46.154 1.00 16.28 ? 193 HIS A CA 1 ATOM 1759 C C . HIS A 1 193 ? 58.516 22.693 45.375 1.00 14.99 ? 193 HIS A C 1 ATOM 1760 O O . HIS A 1 193 ? 58.211 23.880 45.311 1.00 15.70 ? 193 HIS A O 1 ATOM 1761 C CB . HIS A 1 193 ? 60.971 23.142 45.778 1.00 16.15 ? 193 HIS A CB 1 ATOM 1762 C CG . HIS A 1 193 ? 61.382 23.053 44.337 1.00 19.32 ? 193 HIS A CG 1 ATOM 1763 N ND1 . HIS A 1 193 ? 62.618 23.469 43.897 1.00 22.60 ? 193 HIS A ND1 1 ATOM 1764 C CD2 . HIS A 1 193 ? 60.718 22.630 43.232 1.00 20.91 ? 193 HIS A CD2 1 ATOM 1765 C CE1 . HIS A 1 193 ? 62.701 23.310 42.587 1.00 21.49 ? 193 HIS A CE1 1 ATOM 1766 N NE2 . HIS A 1 193 ? 61.561 22.802 42.159 1.00 22.52 ? 193 HIS A NE2 1 ATOM 1767 H H . HIS A 1 193 ? 60.747 20.549 45.353 1.00 20.00 ? 193 HIS A H 1 ATOM 1768 H HD1 . HIS A 1 193 ? 63.332 23.831 44.460 1.00 20.00 ? 193 HIS A HD1 1 ATOM 1769 H HE2 . HIS A 1 193 ? 61.352 22.578 41.229 1.00 20.00 ? 193 HIS A HE2 1 ATOM 1770 N N . THR A 1 194 ? 57.781 21.741 44.813 1.00 14.58 ? 194 THR A N 1 ATOM 1771 C CA . THR A 1 194 ? 56.603 22.059 44.020 1.00 13.56 ? 194 THR A CA 1 ATOM 1772 C C . THR A 1 194 ? 55.250 21.595 44.585 1.00 13.69 ? 194 THR A C 1 ATOM 1773 O O . THR A 1 194 ? 54.264 22.340 44.544 1.00 13.61 ? 194 THR A O 1 ATOM 1774 C CB . THR A 1 194 ? 56.755 21.438 42.588 1.00 14.76 ? 194 THR A CB 1 ATOM 1775 O OG1 . THR A 1 194 ? 57.874 22.030 41.931 1.00 15.26 ? 194 THR A OG1 1 ATOM 1776 C CG2 . THR A 1 194 ? 55.474 21.618 41.722 1.00 13.18 ? 194 THR A CG2 1 ATOM 1777 H H . THR A 1 194 ? 58.064 20.815 44.914 1.00 20.00 ? 194 THR A H 1 ATOM 1778 H HG1 . THR A 1 194 ? 57.966 21.645 41.057 1.00 20.00 ? 194 THR A HG1 1 ATOM 1779 N N . HIS A 1 195 ? 55.177 20.343 45.018 1.00 11.34 ? 195 HIS A N 1 ATOM 1780 C CA . HIS A 1 195 ? 53.910 19.777 45.469 1.00 12.69 ? 195 HIS A CA 1 ATOM 1781 C C . HIS A 1 195 ? 53.532 20.037 46.897 1.00 13.29 ? 195 HIS A C 1 ATOM 1782 O O . HIS A 1 195 ? 54.248 19.686 47.823 1.00 15.04 ? 195 HIS A O 1 ATOM 1783 C CB . HIS A 1 195 ? 53.861 18.292 45.130 1.00 13.27 ? 195 HIS A CB 1 ATOM 1784 C CG . HIS A 1 195 ? 54.195 18.024 43.696 1.00 14.12 ? 195 HIS A CG 1 ATOM 1785 N ND1 . HIS A 1 195 ? 55.437 17.595 43.294 1.00 14.23 ? 195 HIS A ND1 1 ATOM 1786 C CD2 . HIS A 1 195 ? 53.486 18.231 42.562 1.00 15.09 ? 195 HIS A CD2 1 ATOM 1787 C CE1 . HIS A 1 195 ? 55.488 17.552 41.975 1.00 15.54 ? 195 HIS A CE1 1 ATOM 1788 N NE2 . HIS A 1 195 ? 54.313 17.934 41.507 1.00 16.46 ? 195 HIS A NE2 1 ATOM 1789 H H . HIS A 1 195 ? 55.945 19.788 44.979 1.00 20.00 ? 195 HIS A H 1 ATOM 1790 H HD1 . HIS A 1 195 ? 56.084 17.332 43.932 1.00 20.00 ? 195 HIS A HD1 1 ATOM 1791 H HE2 . HIS A 1 195 ? 54.050 17.981 40.573 1.00 20.00 ? 195 HIS A HE2 1 ATOM 1792 N N . THR A 1 196 ? 52.344 20.602 47.062 1.00 12.35 ? 196 THR A N 1 ATOM 1793 C CA . THR A 1 196 ? 51.864 20.960 48.387 1.00 11.45 ? 196 THR A CA 1 ATOM 1794 C C . THR A 1 196 ? 51.174 19.812 49.122 1.00 12.58 ? 196 THR A C 1 ATOM 1795 O O . THR A 1 196 ? 50.471 18.992 48.511 1.00 12.22 ? 196 THR A O 1 ATOM 1796 C CB . THR A 1 196 ? 50.825 22.111 48.294 1.00 11.42 ? 196 THR A CB 1 ATOM 1797 O OG1 . THR A 1 196 ? 49.800 21.754 47.348 1.00 12.42 ? 196 THR A OG1 1 ATOM 1798 C CG2 . THR A 1 196 ? 51.481 23.436 47.910 1.00 8.89 ? 196 THR A CG2 1 ATOM 1799 H H . THR A 1 196 ? 51.781 20.782 46.280 1.00 20.00 ? 196 THR A H 1 ATOM 1800 H HG1 . THR A 1 196 ? 50.218 21.604 46.496 1.00 20.00 ? 196 THR A HG1 1 ATOM 1801 N N . SER A 1 197 ? 51.322 19.827 50.449 1.00 12.83 ? 197 SER A N 1 ATOM 1802 C CA . SER A 1 197 ? 50.668 18.886 51.358 1.00 13.37 ? 197 SER A CA 1 ATOM 1803 C C . SER A 1 197 ? 49.192 19.360 51.379 1.00 13.87 ? 197 SER A C 1 ATOM 1804 O O . SER A 1 197 ? 48.878 20.426 50.829 1.00 14.49 ? 197 SER A O 1 ATOM 1805 C CB . SER A 1 197 ? 51.241 19.085 52.772 1.00 13.47 ? 197 SER A CB 1 ATOM 1806 O OG . SER A 1 197 ? 50.944 20.401 53.265 1.00 12.49 ? 197 SER A OG 1 ATOM 1807 H H . SER A 1 197 ? 51.896 20.513 50.843 1.00 20.00 ? 197 SER A H 1 ATOM 1808 H HG . SER A 1 197 ? 51.336 21.057 52.684 1.00 20.00 ? 197 SER A HG 1 ATOM 1809 N N . PRO A 1 198 ? 48.276 18.603 52.015 1.00 13.30 ? 198 PRO A N 1 ATOM 1810 C CA . PRO A 1 198 ? 46.870 19.057 52.047 1.00 14.19 ? 198 PRO A CA 1 ATOM 1811 C C . PRO A 1 198 ? 46.675 20.449 52.685 1.00 14.43 ? 198 PRO A C 1 ATOM 1812 O O . PRO A 1 198 ? 45.848 21.237 52.229 1.00 13.83 ? 198 PRO A O 1 ATOM 1813 C CB . PRO A 1 198 ? 46.185 17.966 52.851 1.00 13.72 ? 198 PRO A CB 1 ATOM 1814 C CG . PRO A 1 198 ? 46.909 16.761 52.389 1.00 15.43 ? 198 PRO A CG 1 ATOM 1815 C CD . PRO A 1 198 ? 48.369 17.198 52.440 1.00 13.32 ? 198 PRO A CD 1 ATOM 1816 N N . ALA A 1 199 ? 47.466 20.775 53.704 1.00 13.87 ? 199 ALA A N 1 ATOM 1817 C CA . ALA A 1 199 ? 47.371 22.084 54.350 1.00 13.42 ? 199 ALA A CA 1 ATOM 1818 C C . ALA A 1 199 ? 47.851 23.191 53.396 1.00 13.24 ? 199 ALA A C 1 ATOM 1819 O O . ALA A 1 199 ? 47.252 24.278 53.356 1.00 13.21 ? 199 ALA A O 1 ATOM 1820 C CB . ALA A 1 199 ? 48.200 22.115 55.646 1.00 14.05 ? 199 ALA A CB 1 ATOM 1821 H H . ALA A 1 199 ? 48.135 20.131 54.016 1.00 20.00 ? 199 ALA A H 1 ATOM 1822 N N . GLY A 1 200 ? 48.945 22.933 52.663 1.00 11.13 ? 200 GLY A N 1 ATOM 1823 C CA . GLY A 1 200 ? 49.445 23.925 51.731 1.00 10.21 ? 200 GLY A CA 1 ATOM 1824 C C . GLY A 1 200 ? 48.446 24.150 50.593 1.00 11.02 ? 200 GLY A C 1 ATOM 1825 O O . GLY A 1 200 ? 48.236 25.283 50.157 1.00 10.42 ? 200 GLY A O 1 ATOM 1826 H H . GLY A 1 200 ? 49.405 22.073 52.756 1.00 20.00 ? 200 GLY A H 1 ATOM 1827 N N . ALA A 1 201 ? 47.799 23.067 50.151 1.00 10.14 ? 201 ALA A N 1 ATOM 1828 C CA . ALA A 1 201 ? 46.807 23.127 49.087 1.00 10.64 ? 201 ALA A CA 1 ATOM 1829 C C . ALA A 1 201 ? 45.600 23.989 49.513 1.00 10.91 ? 201 ALA A C 1 ATOM 1830 O O . ALA A 1 201 ? 45.052 24.758 48.716 1.00 10.33 ? 201 ALA A O 1 ATOM 1831 C CB . ALA A 1 201 ? 46.375 21.713 48.710 1.00 9.27 ? 201 ALA A CB 1 ATOM 1832 H H . ALA A 1 201 ? 47.989 22.205 50.570 1.00 20.00 ? 201 ALA A H 1 ATOM 1833 N N . GLU A 1 202 ? 45.197 23.851 50.777 1.00 10.93 ? 202 GLU A N 1 ATOM 1834 C CA . GLU A 1 202 ? 44.100 24.638 51.343 1.00 11.71 ? 202 GLU A CA 1 ATOM 1835 C C . GLU A 1 202 ? 44.499 26.130 51.334 1.00 11.45 ? 202 GLU A C 1 ATOM 1836 O O . GLU A 1 202 ? 43.721 26.980 50.905 1.00 10.89 ? 202 GLU A O 1 ATOM 1837 C CB . GLU A 1 202 ? 43.804 24.173 52.769 1.00 12.11 ? 202 GLU A CB 1 ATOM 1838 C CG . GLU A 1 202 ? 42.899 25.117 53.584 1.00 13.39 ? 202 GLU A CG 1 ATOM 1839 C CD . GLU A 1 202 ? 41.465 25.188 53.072 1.00 14.46 ? 202 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 202 ? 40.919 24.155 52.631 1.00 14.26 ? 202 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 202 ? 40.858 26.275 53.140 1.00 14.31 ? 202 GLU A OE2 1 ATOM 1842 H H . GLU A 1 202 ? 45.652 23.195 51.345 1.00 20.00 ? 202 GLU A H 1 ATOM 1843 N N . VAL A 1 203 ? 45.708 26.444 51.807 1.00 10.58 ? 203 VAL A N 1 ATOM 1844 C CA . VAL A 1 203 ? 46.212 27.820 51.808 1.00 10.07 ? 203 VAL A CA 1 ATOM 1845 C C . VAL A 1 203 ? 46.260 28.383 50.369 1.00 9.83 ? 203 VAL A C 1 ATOM 1846 O O . VAL A 1 203 ? 45.896 29.537 50.134 1.00 11.16 ? 203 VAL A O 1 ATOM 1847 C CB . VAL A 1 203 ? 47.643 27.876 52.433 1.00 10.75 ? 203 VAL A CB 1 ATOM 1848 C CG1 . VAL A 1 203 ? 48.308 29.232 52.166 1.00 9.57 ? 203 VAL A CG1 1 ATOM 1849 C CG2 . VAL A 1 203 ? 47.553 27.585 53.922 1.00 11.60 ? 203 VAL A CG2 1 ATOM 1850 H H . VAL A 1 203 ? 46.276 25.728 52.160 1.00 20.00 ? 203 VAL A H 1 ATOM 1851 N N . VAL A 1 204 ? 46.710 27.567 49.413 1.00 8.95 ? 204 VAL A N 1 ATOM 1852 C CA . VAL A 1 204 ? 46.782 27.985 48.013 1.00 9.18 ? 204 VAL A CA 1 ATOM 1853 C C . VAL A 1 204 ? 45.373 28.261 47.430 1.00 8.95 ? 204 VAL A C 1 ATOM 1854 O O . VAL A 1 204 ? 45.191 29.233 46.690 1.00 9.56 ? 204 VAL A O 1 ATOM 1855 C CB . VAL A 1 204 ? 47.549 26.931 47.170 1.00 8.61 ? 204 VAL A CB 1 ATOM 1856 C CG1 . VAL A 1 204 ? 47.456 27.258 45.673 1.00 8.91 ? 204 VAL A CG1 1 ATOM 1857 C CG2 . VAL A 1 204 ? 48.997 26.895 47.628 1.00 9.73 ? 204 VAL A CG2 1 ATOM 1858 H H . VAL A 1 204 ? 46.974 26.662 49.657 1.00 20.00 ? 204 VAL A H 1 ATOM 1859 N N . ALA A 1 205 ? 44.392 27.417 47.772 1.00 8.75 ? 205 ALA A N 1 ATOM 1860 C CA . ALA A 1 205 ? 43.003 27.609 47.314 1.00 9.01 ? 205 ALA A CA 1 ATOM 1861 C C . ALA A 1 205 ? 42.420 28.900 47.946 1.00 10.56 ? 205 ALA A C 1 ATOM 1862 O O . ALA A 1 205 ? 41.781 29.704 47.257 1.00 10.69 ? 205 ALA A O 1 ATOM 1863 C CB . ALA A 1 205 ? 42.146 26.392 47.664 1.00 7.43 ? 205 ALA A CB 1 ATOM 1864 H H . ALA A 1 205 ? 44.601 26.668 48.360 1.00 20.00 ? 205 ALA A H 1 ATOM 1865 N N . GLU A 1 206 ? 42.681 29.126 49.240 1.00 10.05 ? 206 GLU A N 1 ATOM 1866 C CA . GLU A 1 206 ? 42.209 30.346 49.915 1.00 11.23 ? 206 GLU A CA 1 ATOM 1867 C C . GLU A 1 206 ? 42.831 31.588 49.275 1.00 10.58 ? 206 GLU A C 1 ATOM 1868 O O . GLU A 1 206 ? 42.176 32.616 49.143 1.00 10.69 ? 206 GLU A O 1 ATOM 1869 C CB . GLU A 1 206 ? 42.562 30.341 51.402 1.00 12.17 ? 206 GLU A CB 1 ATOM 1870 C CG . GLU A 1 206 ? 41.851 29.241 52.198 1.00 14.36 ? 206 GLU A CG 1 ATOM 1871 C CD . GLU A 1 206 ? 42.410 29.081 53.599 1.00 16.70 ? 206 GLU A CD 1 ATOM 1872 O OE1 . GLU A 1 206 ? 43.317 29.863 53.959 1.00 18.38 ? 206 GLU A OE1 1 ATOM 1873 O OE2 . GLU A 1 206 ? 41.957 28.166 54.334 1.00 16.41 ? 206 GLU A OE2 1 ATOM 1874 H H . GLU A 1 206 ? 43.208 28.475 49.739 1.00 20.00 ? 206 GLU A H 1 ATOM 1875 N N . ALA A 1 207 ? 44.102 31.492 48.882 1.00 9.11 ? 207 ALA A N 1 ATOM 1876 C CA . ALA A 1 207 ? 44.775 32.626 48.243 1.00 10.01 ? 207 ALA A CA 1 ATOM 1877 C C . ALA A 1 207 ? 44.134 32.952 46.878 1.00 9.42 ? 207 ALA A C 1 ATOM 1878 O O . ALA A 1 207 ? 44.089 34.099 46.480 1.00 10.14 ? 207 ALA A O 1 ATOM 1879 C CB . ALA A 1 207 ? 46.289 32.335 48.087 1.00 9.71 ? 207 ALA A CB 1 ATOM 1880 H H . ALA A 1 207 ? 44.588 30.657 49.028 1.00 20.00 ? 207 ALA A H 1 ATOM 1881 N N . PHE A 1 208 ? 43.640 31.935 46.169 1.00 10.35 ? 208 PHE A N 1 ATOM 1882 C CA . PHE A 1 208 ? 42.990 32.168 44.883 1.00 10.24 ? 208 PHE A CA 1 ATOM 1883 C C . PHE A 1 208 ? 41.698 32.932 45.138 1.00 10.64 ? 208 PHE A C 1 ATOM 1884 O O . PHE A 1 208 ? 41.378 33.887 44.427 1.00 10.67 ? 208 PHE A O 1 ATOM 1885 C CB . PHE A 1 208 ? 42.655 30.847 44.188 1.00 9.96 ? 208 PHE A CB 1 ATOM 1886 C CG . PHE A 1 208 ? 41.938 31.027 42.871 1.00 10.96 ? 208 PHE A CG 1 ATOM 1887 C CD1 . PHE A 1 208 ? 42.652 31.336 41.709 1.00 9.94 ? 208 PHE A CD1 1 ATOM 1888 C CD2 . PHE A 1 208 ? 40.544 30.899 42.796 1.00 11.60 ? 208 PHE A CD2 1 ATOM 1889 C CE1 . PHE A 1 208 ? 42.007 31.513 40.504 1.00 10.61 ? 208 PHE A CE1 1 ATOM 1890 C CE2 . PHE A 1 208 ? 39.884 31.078 41.572 1.00 11.84 ? 208 PHE A CE2 1 ATOM 1891 C CZ . PHE A 1 208 ? 40.626 31.386 40.431 1.00 9.89 ? 208 PHE A CZ 1 ATOM 1892 H H . PHE A 1 208 ? 43.717 31.022 46.516 1.00 20.00 ? 208 PHE A H 1 ATOM 1893 N N . LEU A 1 209 ? 40.969 32.514 46.168 1.00 10.39 ? 209 LEU A N 1 ATOM 1894 C CA . LEU A 1 209 ? 39.707 33.159 46.506 1.00 11.02 ? 209 LEU A CA 1 ATOM 1895 C C . LEU A 1 209 ? 39.918 34.594 47.010 1.00 10.80 ? 209 LEU A C 1 ATOM 1896 O O . LEU A 1 209 ? 39.114 35.484 46.709 1.00 10.54 ? 209 LEU A O 1 ATOM 1897 C CB . LEU A 1 209 ? 38.911 32.307 47.506 1.00 11.30 ? 209 LEU A CB 1 ATOM 1898 C CG . LEU A 1 209 ? 38.489 30.958 46.891 1.00 12.73 ? 209 LEU A CG 1 ATOM 1899 C CD1 . LEU A 1 209 ? 37.771 30.070 47.911 1.00 12.62 ? 209 LEU A CD1 1 ATOM 1900 C CD2 . LEU A 1 209 ? 37.601 31.200 45.660 1.00 13.14 ? 209 LEU A CD2 1 ATOM 1901 H H . LEU A 1 209 ? 41.291 31.769 46.716 1.00 20.00 ? 209 LEU A H 1 ATOM 1902 N N . LYS A 1 210 ? 41.016 34.820 47.736 1.00 10.49 ? 210 LYS A N 1 ATOM 1903 C CA . LYS A 1 210 ? 41.349 36.164 48.230 1.00 9.94 ? 210 LYS A CA 1 ATOM 1904 C C . LYS A 1 210 ? 41.550 37.084 47.014 1.00 10.35 ? 210 LYS A C 1 ATOM 1905 O O . LYS A 1 210 ? 41.050 38.212 47.009 1.00 10.30 ? 210 LYS A O 1 ATOM 1906 C CB . LYS A 1 210 ? 42.641 36.144 49.064 1.00 10.91 ? 210 LYS A CB 1 ATOM 1907 C CG . LYS A 1 210 ? 42.974 37.512 49.737 1.00 11.74 ? 210 LYS A CG 1 ATOM 1908 C CD . LYS A 1 210 ? 41.975 37.849 50.877 1.00 11.56 ? 210 LYS A CD 1 ATOM 1909 C CE . LYS A 1 210 ? 42.364 39.136 51.611 1.00 13.15 ? 210 LYS A CE 1 ATOM 1910 N NZ . LYS A 1 210 ? 41.509 39.390 52.802 1.00 12.66 ? 210 LYS A NZ 1 ATOM 1911 H H . LYS A 1 210 ? 41.623 34.078 47.925 1.00 20.00 ? 210 LYS A H 1 ATOM 1912 H HZ1 . LYS A 1 210 ? 41.561 38.563 53.428 1.00 20.00 ? 210 LYS A HZ1 1 ATOM 1913 H HZ2 . LYS A 1 210 ? 40.524 39.548 52.514 1.00 20.00 ? 210 LYS A HZ2 1 ATOM 1914 H HZ3 . LYS A 1 210 ? 41.863 40.209 53.323 1.00 20.00 ? 210 LYS A HZ3 1 ATOM 1915 N N . ALA A 1 211 ? 42.275 36.575 45.999 1.00 9.52 ? 211 ALA A N 1 ATOM 1916 C CA . ALA A 1 211 ? 42.551 37.279 44.749 1.00 10.52 ? 211 ALA A CA 1 ATOM 1917 C C . ALA A 1 211 ? 41.239 37.595 44.005 1.00 11.30 ? 211 ALA A C 1 ATOM 1918 O O . ALA A 1 211 ? 41.046 38.699 43.530 1.00 11.52 ? 211 ALA A O 1 ATOM 1919 C CB . ALA A 1 211 ? 43.454 36.442 43.883 1.00 10.27 ? 211 ALA A CB 1 ATOM 1920 H H . ALA A 1 211 ? 42.628 35.667 46.106 1.00 20.00 ? 211 ALA A H 1 ATOM 1921 N N . VAL A 1 212 ? 40.315 36.639 43.959 1.00 11.72 ? 212 VAL A N 1 ATOM 1922 C CA . VAL A 1 212 ? 39.015 36.848 43.295 1.00 11.46 ? 212 VAL A CA 1 ATOM 1923 C C . VAL A 1 212 ? 38.211 38.005 43.945 1.00 12.30 ? 212 VAL A C 1 ATOM 1924 O O . VAL A 1 212 ? 37.716 38.894 43.251 1.00 13.66 ? 212 VAL A O 1 ATOM 1925 C CB . VAL A 1 212 ? 38.185 35.512 43.308 1.00 12.31 ? 212 VAL A CB 1 ATOM 1926 C CG1 . VAL A 1 212 ? 36.682 35.775 43.080 1.00 11.30 ? 212 VAL A CG1 1 ATOM 1927 C CG2 . VAL A 1 212 ? 38.732 34.572 42.242 1.00 11.04 ? 212 VAL A CG2 1 ATOM 1928 H H . VAL A 1 212 ? 40.502 35.775 44.379 1.00 20.00 ? 212 VAL A H 1 ATOM 1929 N N . VAL A 1 213 ? 38.119 37.990 45.279 1.00 12.37 ? 213 VAL A N 1 ATOM 1930 C CA . VAL A 1 213 ? 37.385 39.013 46.052 1.00 13.34 ? 213 VAL A CA 1 ATOM 1931 C C . VAL A 1 213 ? 38.039 40.408 45.910 1.00 13.07 ? 213 VAL A C 1 ATOM 1932 O O . VAL A 1 213 ? 37.353 41.421 45.694 1.00 13.17 ? 213 VAL A O 1 ATOM 1933 C CB . VAL A 1 213 ? 37.325 38.629 47.569 1.00 14.23 ? 213 VAL A CB 1 ATOM 1934 C CG1 . VAL A 1 213 ? 36.579 39.690 48.375 1.00 17.32 ? 213 VAL A CG1 1 ATOM 1935 C CG2 . VAL A 1 213 ? 36.638 37.312 47.732 1.00 16.72 ? 213 VAL A CG2 1 ATOM 1936 H H . VAL A 1 213 ? 38.571 37.271 45.764 1.00 20.00 ? 213 VAL A H 1 ATOM 1937 N N . CYS A 1 214 ? 39.371 40.439 45.981 1.00 11.94 ? 214 CYS A N 1 ATOM 1938 C CA . CYS A 1 214 ? 40.102 41.693 45.885 1.00 13.52 ? 214 CYS A CA 1 ATOM 1939 C C . CYS A 1 214 ? 40.007 42.346 44.530 1.00 15.32 ? 214 CYS A C 1 ATOM 1940 O O . CYS A 1 214 ? 39.954 43.573 44.444 1.00 16.87 ? 214 CYS A O 1 ATOM 1941 C CB . CYS A 1 214 ? 41.585 41.499 46.229 1.00 12.90 ? 214 CYS A CB 1 ATOM 1942 S SG . CYS A 1 214 ? 41.882 41.169 47.990 1.00 13.95 ? 214 CYS A SG 1 ATOM 1943 H H . CYS A 1 214 ? 39.866 39.603 46.089 1.00 20.00 ? 214 CYS A H 1 ATOM 1944 N N . THR A 1 215 ? 39.993 41.527 43.476 1.00 14.50 ? 215 THR A N 1 ATOM 1945 C CA . THR A 1 215 ? 39.951 42.047 42.111 1.00 16.86 ? 215 THR A CA 1 ATOM 1946 C C . THR A 1 215 ? 38.537 42.161 41.494 1.00 15.75 ? 215 THR A C 1 ATOM 1947 O O . THR A 1 215 ? 38.357 42.766 40.442 1.00 18.17 ? 215 THR A O 1 ATOM 1948 C CB . THR A 1 215 ? 40.887 41.239 41.160 1.00 18.43 ? 215 THR A CB 1 ATOM 1949 O OG1 . THR A 1 215 ? 40.247 40.018 40.803 1.00 25.54 ? 215 THR A OG1 1 ATOM 1950 C CG2 . THR A 1 215 ? 42.215 40.883 41.840 1.00 17.80 ? 215 THR A CG2 1 ATOM 1951 H H . THR A 1 215 ? 40.017 40.559 43.625 1.00 20.00 ? 215 THR A H 1 ATOM 1952 H HG1 . THR A 1 215 ? 39.438 40.196 40.317 1.00 20.00 ? 215 THR A HG1 1 ATOM 1953 N N . GLY A 1 216 ? 37.540 41.601 42.158 1.00 14.96 ? 216 GLY A N 1 ATOM 1954 C CA . GLY A 1 216 ? 36.193 41.670 41.644 1.00 13.54 ? 216 GLY A CA 1 ATOM 1955 C C . GLY A 1 216 ? 35.951 40.763 40.459 1.00 14.14 ? 216 GLY A C 1 ATOM 1956 O O . GLY A 1 216 ? 35.136 41.084 39.602 1.00 15.36 ? 216 GLY A O 1 ATOM 1957 H H . GLY A 1 216 ? 37.718 41.142 43.005 1.00 20.00 ? 216 GLY A H 1 ATOM 1958 N N . THR A 1 217 ? 36.615 39.613 40.427 1.00 12.66 ? 217 THR A N 1 ATOM 1959 C CA . THR A 1 217 ? 36.441 38.644 39.343 1.00 12.19 ? 217 THR A CA 1 ATOM 1960 C C . THR A 1 217 ? 35.008 38.129 39.388 1.00 12.66 ? 217 THR A C 1 ATOM 1961 O O . THR A 1 217 ? 34.454 37.968 40.465 1.00 13.63 ? 217 THR A O 1 ATOM 1962 C CB . THR A 1 217 ? 37.407 37.461 39.535 1.00 12.65 ? 217 THR A CB 1 ATOM 1963 O OG1 . THR A 1 217 ? 38.725 37.986 39.742 1.00 13.84 ? 217 THR A OG1 1 ATOM 1964 C CG2 . THR A 1 217 ? 37.406 36.538 38.309 1.00 12.78 ? 217 THR A CG2 1 ATOM 1965 H H . THR A 1 217 ? 37.248 39.411 41.148 1.00 20.00 ? 217 THR A H 1 ATOM 1966 H HG1 . THR A 1 217 ? 38.731 38.529 40.534 1.00 20.00 ? 217 THR A HG1 1 ATOM 1967 N N . SER A 1 218 ? 34.441 37.813 38.225 1.00 12.70 ? 218 SER A N 1 ATOM 1968 C CA . SER A 1 218 ? 33.050 37.334 38.100 1.00 14.02 ? 218 SER A CA 1 ATOM 1969 C C . SER A 1 218 ? 32.689 36.159 38.985 1.00 14.49 ? 218 SER A C 1 ATOM 1970 O O . SER A 1 218 ? 31.538 36.018 39.372 1.00 16.48 ? 218 SER A O 1 ATOM 1971 C CB . SER A 1 218 ? 32.732 36.952 36.635 1.00 14.73 ? 218 SER A CB 1 ATOM 1972 O OG . SER A 1 218 ? 33.576 35.908 36.172 1.00 15.04 ? 218 SER A OG 1 ATOM 1973 H H . SER A 1 218 ? 34.984 37.859 37.424 1.00 20.00 ? 218 SER A H 1 ATOM 1974 H HG . SER A 1 218 ? 33.462 35.132 36.725 1.00 20.00 ? 218 SER A HG 1 ATOM 1975 N N . LEU A 1 219 ? 33.671 35.314 39.298 1.00 12.88 ? 219 LEU A N 1 ATOM 1976 C CA . LEU A 1 219 ? 33.444 34.146 40.139 1.00 12.66 ? 219 LEU A CA 1 ATOM 1977 C C . LEU A 1 219 ? 32.883 34.523 41.511 1.00 13.56 ? 219 LEU A C 1 ATOM 1978 O O . LEU A 1 219 ? 32.378 33.676 42.237 1.00 14.87 ? 219 LEU A O 1 ATOM 1979 C CB . LEU A 1 219 ? 34.751 33.372 40.292 1.00 12.86 ? 219 LEU A CB 1 ATOM 1980 C CG . LEU A 1 219 ? 34.660 31.990 40.914 1.00 11.60 ? 219 LEU A CG 1 ATOM 1981 C CD1 . LEU A 1 219 ? 33.942 31.078 39.955 1.00 13.48 ? 219 LEU A CD1 1 ATOM 1982 C CD2 . LEU A 1 219 ? 36.085 31.493 41.172 1.00 13.18 ? 219 LEU A CD2 1 ATOM 1983 H H . LEU A 1 219 ? 34.572 35.484 38.953 1.00 20.00 ? 219 LEU A H 1 ATOM 1984 N N . LYS A 1 220 ? 33.073 35.789 41.866 1.00 14.66 ? 220 LYS A N 1 ATOM 1985 C CA . LYS A 1 220 ? 32.594 36.418 43.094 1.00 17.86 ? 220 LYS A CA 1 ATOM 1986 C C . LYS A 1 220 ? 31.128 36.031 43.327 1.00 17.43 ? 220 LYS A C 1 ATOM 1987 O O . LYS A 1 220 ? 30.705 35.871 44.459 1.00 18.69 ? 220 LYS A O 1 ATOM 1988 C CB . LYS A 1 220 ? 32.655 37.926 42.855 1.00 22.31 ? 220 LYS A CB 1 ATOM 1989 C CG . LYS A 1 220 ? 32.806 38.840 44.022 1.00 28.82 ? 220 LYS A CG 1 ATOM 1990 C CD . LYS A 1 220 ? 32.771 40.291 43.471 1.00 30.91 ? 220 LYS A CD 1 ATOM 1991 C CE . LYS A 1 220 ? 33.273 41.347 44.514 1.00 33.59 ? 220 LYS A CE 1 ATOM 1992 N NZ . LYS A 1 220 ? 34.751 41.305 44.873 1.00 26.36 ? 220 LYS A NZ 1 ATOM 1993 H H . LYS A 1 220 ? 33.591 36.345 41.254 1.00 20.00 ? 220 LYS A H 1 ATOM 1994 H HZ1 . LYS A 1 220 ? 35.323 41.502 44.028 1.00 20.00 ? 220 LYS A HZ1 1 ATOM 1995 H HZ2 . LYS A 1 220 ? 34.980 40.356 45.232 1.00 20.00 ? 220 LYS A HZ2 1 ATOM 1996 H HZ3 . LYS A 1 220 ? 34.956 42.003 45.612 1.00 20.00 ? 220 LYS A HZ3 1 ATOM 1997 N N . SER A 1 221 ? 30.363 35.887 42.249 1.00 16.95 ? 221 SER A N 1 ATOM 1998 C CA . SER A 1 221 ? 28.930 35.546 42.316 1.00 18.56 ? 221 SER A CA 1 ATOM 1999 C C . SER A 1 221 ? 28.550 34.200 42.933 1.00 18.50 ? 221 SER A C 1 ATOM 2000 O O . SER A 1 221 ? 27.413 34.035 43.402 1.00 19.53 ? 221 SER A O 1 ATOM 2001 C CB . SER A 1 221 ? 28.327 35.596 40.922 1.00 18.24 ? 221 SER A CB 1 ATOM 2002 O OG . SER A 1 221 ? 28.627 36.843 40.338 1.00 26.60 ? 221 SER A OG 1 ATOM 2003 H H . SER A 1 221 ? 30.770 36.011 41.368 1.00 20.00 ? 221 SER A H 1 ATOM 2004 H HG . SER A 1 221 ? 28.266 36.870 39.449 1.00 20.00 ? 221 SER A HG 1 ATOM 2005 N N . VAL A 1 222 ? 29.453 33.221 42.874 1.00 15.94 ? 222 VAL A N 1 ATOM 2006 C CA . VAL A 1 222 ? 29.159 31.918 43.439 1.00 15.40 ? 222 VAL A CA 1 ATOM 2007 C C . VAL A 1 222 ? 29.967 31.609 44.706 1.00 16.14 ? 222 VAL A C 1 ATOM 2008 O O . VAL A 1 222 ? 29.925 30.499 45.195 1.00 16.42 ? 222 VAL A O 1 ATOM 2009 C CB . VAL A 1 222 ? 29.336 30.811 42.392 1.00 17.41 ? 222 VAL A CB 1 ATOM 2010 C CG1 . VAL A 1 222 ? 28.200 30.877 41.334 1.00 17.33 ? 222 VAL A CG1 1 ATOM 2011 C CG2 . VAL A 1 222 ? 30.698 30.927 41.729 1.00 15.71 ? 222 VAL A CG2 1 ATOM 2012 H H . VAL A 1 222 ? 30.321 33.396 42.459 1.00 20.00 ? 222 VAL A H 1 ATOM 2013 N N . LEU A 1 223 ? 30.685 32.598 45.243 1.00 15.91 ? 223 LEU A N 1 ATOM 2014 C CA . LEU A 1 223 ? 31.479 32.427 46.471 1.00 15.41 ? 223 LEU A CA 1 ATOM 2015 C C . LEU A 1 223 ? 30.549 32.436 47.685 1.00 16.55 ? 223 LEU A C 1 ATOM 2016 O O . LEU A 1 223 ? 29.694 33.311 47.793 1.00 17.73 ? 223 LEU A O 1 ATOM 2017 C CB . LEU A 1 223 ? 32.468 33.579 46.649 1.00 16.13 ? 223 LEU A CB 1 ATOM 2018 C CG . LEU A 1 223 ? 33.931 33.217 46.770 1.00 19.41 ? 223 LEU A CG 1 ATOM 2019 C CD1 . LEU A 1 223 ? 34.333 32.626 45.420 1.00 21.42 ? 223 LEU A CD1 1 ATOM 2020 C CD2 . LEU A 1 223 ? 34.747 34.490 47.074 1.00 18.69 ? 223 LEU A CD2 1 ATOM 2021 H H . LEU A 1 223 ? 30.681 33.475 44.803 1.00 20.00 ? 223 LEU A H 1 ATOM 2022 N N . THR A 1 224 ? 30.755 31.505 48.616 1.00 15.36 ? 224 THR A N 1 ATOM 2023 C CA . THR A 1 224 ? 29.918 31.410 49.812 1.00 16.26 ? 224 THR A CA 1 ATOM 2024 C C . THR A 1 224 ? 30.423 32.276 50.971 1.00 15.88 ? 224 THR A C 1 ATOM 2025 O O . THR A 1 224 ? 29.678 32.526 51.919 1.00 15.87 ? 224 THR A O 1 ATOM 2026 C CB . THR A 1 224 ? 29.862 29.968 50.337 1.00 16.86 ? 224 THR A CB 1 ATOM 2027 O OG1 . THR A 1 224 ? 31.191 29.534 50.677 1.00 18.13 ? 224 THR A OG1 1 ATOM 2028 C CG2 . THR A 1 224 ? 29.227 29.041 49.316 1.00 18.05 ? 224 THR A CG2 1 ATOM 2029 H H . THR A 1 224 ? 31.497 30.887 48.515 1.00 20.00 ? 224 THR A H 1 ATOM 2030 H HG1 . THR A 1 224 ? 31.768 29.643 49.920 1.00 20.00 ? 224 THR A HG1 1 ATOM 2031 N N . THR A 1 225 ? 31.691 32.682 50.909 1.00 15.16 ? 225 THR A N 1 ATOM 2032 C CA . THR A 1 225 ? 32.290 33.489 51.965 1.00 14.91 ? 225 THR A CA 1 ATOM 2033 C C . THR A 1 225 ? 33.479 34.298 51.454 1.00 15.39 ? 225 THR A C 1 ATOM 2034 O O . THR A 1 225 ? 34.092 33.927 50.447 1.00 15.27 ? 225 THR A O 1 ATOM 2035 C CB . THR A 1 225 ? 32.764 32.571 53.138 1.00 15.09 ? 225 THR A CB 1 ATOM 2036 O OG1 . THR A 1 225 ? 33.282 33.376 54.204 1.00 14.26 ? 225 THR A OG1 1 ATOM 2037 C CG2 . THR A 1 225 ? 33.842 31.600 52.667 1.00 13.76 ? 225 THR A CG2 1 ATOM 2038 H H . THR A 1 225 ? 32.241 32.413 50.144 1.00 20.00 ? 225 THR A H 1 ATOM 2039 H HG1 . THR A 1 225 ? 32.593 33.968 54.513 1.00 20.00 ? 225 THR A HG1 1 ATOM 2040 N N . THR A 1 226 ? 33.768 35.415 52.126 1.00 14.50 ? 226 THR A N 1 ATOM 2041 C CA . THR A 1 226 ? 34.912 36.269 51.768 1.00 14.71 ? 226 THR A CA 1 ATOM 2042 C C . THR A 1 226 ? 35.893 36.380 52.943 1.00 14.20 ? 226 THR A C 1 ATOM 2043 O O . THR A 1 226 ? 36.796 37.222 52.937 1.00 15.87 ? 226 THR A O 1 ATOM 2044 C CB . THR A 1 226 ? 34.464 37.671 51.359 1.00 15.18 ? 226 THR A CB 1 ATOM 2045 O OG1 . THR A 1 226 ? 33.775 38.281 52.453 1.00 16.78 ? 226 THR A OG1 1 ATOM 2046 C CG2 . THR A 1 226 ? 33.520 37.604 50.155 1.00 15.68 ? 226 THR A CG2 1 ATOM 2047 H H . THR A 1 226 ? 33.205 35.673 52.886 1.00 20.00 ? 226 THR A H 1 ATOM 2048 H HG1 . THR A 1 226 ? 33.511 39.170 52.204 1.00 20.00 ? 226 THR A HG1 1 ATOM 2049 N N . SER A 1 227 ? 35.730 35.511 53.936 1.00 12.82 ? 227 SER A N 1 ATOM 2050 C CA . SER A 1 227 ? 36.587 35.523 55.121 1.00 13.11 ? 227 SER A CA 1 ATOM 2051 C C . SER A 1 227 ? 37.862 34.690 54.897 1.00 14.01 ? 227 SER A C 1 ATOM 2052 O O . SER A 1 227 ? 37.862 33.469 55.094 1.00 14.28 ? 227 SER A O 1 ATOM 2053 C CB . SER A 1 227 ? 35.791 35.004 56.322 1.00 12.76 ? 227 SER A CB 1 ATOM 2054 O OG . SER A 1 227 ? 36.570 35.015 57.505 1.00 12.37 ? 227 SER A OG 1 ATOM 2055 H H . SER A 1 227 ? 35.022 34.837 53.871 1.00 20.00 ? 227 SER A H 1 ATOM 2056 H HG . SER A 1 227 ? 37.329 34.435 57.407 1.00 20.00 ? 227 SER A HG 1 ATOM 2057 N N . PHE A 1 228 ? 38.913 35.366 54.416 1.00 14.34 ? 228 PHE A N 1 ATOM 2058 C CA . PHE A 1 228 ? 40.221 34.763 54.141 1.00 14.86 ? 228 PHE A CA 1 ATOM 2059 C C . PHE A 1 228 ? 41.291 35.731 54.613 1.00 15.32 ? 228 PHE A C 1 ATOM 2060 O O . PHE A 1 228 ? 41.151 36.933 54.440 1.00 15.58 ? 228 PHE A O 1 ATOM 2061 C CB . PHE A 1 228 ? 40.407 34.534 52.632 1.00 14.29 ? 228 PHE A CB 1 ATOM 2062 C CG . PHE A 1 228 ? 39.384 33.611 52.030 1.00 15.35 ? 228 PHE A CG 1 ATOM 2063 C CD1 . PHE A 1 228 ? 38.391 34.107 51.190 1.00 14.73 ? 228 PHE A CD1 1 ATOM 2064 C CD2 . PHE A 1 228 ? 39.351 32.264 52.378 1.00 14.83 ? 228 PHE A CD2 1 ATOM 2065 C CE1 . PHE A 1 228 ? 37.375 33.270 50.717 1.00 14.58 ? 228 PHE A CE1 1 ATOM 2066 C CE2 . PHE A 1 228 ? 38.331 31.432 51.900 1.00 13.78 ? 228 PHE A CE2 1 ATOM 2067 C CZ . PHE A 1 228 ? 37.350 31.950 51.073 1.00 12.74 ? 228 PHE A CZ 1 ATOM 2068 H H . PHE A 1 228 ? 38.798 36.322 54.239 1.00 20.00 ? 228 PHE A H 1 ATOM 2069 N N . GLU A 1 229 ? 42.357 35.216 55.210 1.00 17.12 ? 229 GLU A N 1 ATOM 2070 C CA . GLU A 1 229 ? 43.450 36.068 55.679 1.00 18.24 ? 229 GLU A CA 1 ATOM 2071 C C . GLU A 1 229 ? 44.245 36.704 54.519 1.00 18.41 ? 229 GLU A C 1 ATOM 2072 O O . GLU A 1 229 ? 44.082 36.337 53.351 1.00 17.03 ? 229 GLU A O 1 ATOM 2073 C CB . GLU A 1 229 ? 44.398 35.270 56.578 1.00 22.05 ? 229 GLU A CB 1 ATOM 2074 C CG . GLU A 1 229 ? 44.876 33.997 55.957 1.00 27.72 ? 229 GLU A CG 1 ATOM 2075 C CD . GLU A 1 229 ? 46.088 33.435 56.659 1.00 33.90 ? 229 GLU A CD 1 ATOM 2076 O OE1 . GLU A 1 229 ? 46.270 32.197 56.611 1.00 34.52 ? 229 GLU A OE1 1 ATOM 2077 O OE2 . GLU A 1 229 ? 46.872 34.237 57.241 1.00 36.93 ? 229 GLU A OE2 1 ATOM 2078 H H . GLU A 1 229 ? 42.402 34.245 55.334 1.00 20.00 ? 229 GLU A H 1 ATOM 2079 N N . GLY A 1 230 ? 45.159 37.605 54.870 1.00 17.76 ? 230 GLY A N 1 ATOM 2080 C CA . GLY A 1 230 ? 45.949 38.285 53.870 1.00 17.57 ? 230 GLY A CA 1 ATOM 2081 C C . GLY A 1 230 ? 45.316 39.630 53.542 1.00 18.22 ? 230 GLY A C 1 ATOM 2082 O O . GLY A 1 230 ? 44.282 39.994 54.090 1.00 18.67 ? 230 GLY A O 1 ATOM 2083 H H . GLY A 1 230 ? 45.301 37.814 55.816 1.00 20.00 ? 230 GLY A H 1 ATOM 2084 N N . THR A 1 231 ? 45.908 40.346 52.596 1.00 17.41 ? 231 THR A N 1 ATOM 2085 C CA . THR A 1 231 ? 45.415 41.656 52.213 1.00 18.12 ? 231 THR A CA 1 ATOM 2086 C C . THR A 1 231 ? 45.331 41.761 50.680 1.00 16.27 ? 231 THR A C 1 ATOM 2087 O O . THR A 1 231 ? 45.855 40.908 49.980 1.00 17.19 ? 231 THR A O 1 ATOM 2088 C CB . THR A 1 231 ? 46.350 42.744 52.800 1.00 19.56 ? 231 THR A CB 1 ATOM 2089 O OG1 . THR A 1 231 ? 45.790 44.038 52.549 1.00 24.99 ? 231 THR A OG1 1 ATOM 2090 C CG2 . THR A 1 231 ? 47.727 42.668 52.176 1.00 20.82 ? 231 THR A CG2 1 ATOM 2091 H H . THR A 1 231 ? 46.691 39.980 52.136 1.00 20.00 ? 231 THR A H 1 ATOM 2092 H HG1 . THR A 1 231 ? 44.928 44.097 52.967 1.00 20.00 ? 231 THR A HG1 1 ATOM 2093 N N . CYS A 1 232 ? 44.628 42.763 50.158 1.00 15.47 ? 232 CYS A N 1 ATOM 2094 C CA . CYS A 1 232 ? 44.536 42.938 48.706 1.00 16.76 ? 232 CYS A CA 1 ATOM 2095 C C . CYS A 1 232 ? 45.877 43.441 48.156 1.00 18.61 ? 232 CYS A C 1 ATOM 2096 O O . CYS A 1 232 ? 46.532 44.269 48.779 1.00 19.14 ? 232 CYS A O 1 ATOM 2097 C CB . CYS A 1 232 ? 43.353 43.828 48.336 1.00 14.93 ? 232 CYS A CB 1 ATOM 2098 S SG . CYS A 1 232 ? 41.781 43.038 48.815 1.00 14.79 ? 232 CYS A SG 1 ATOM 2099 H H . CYS A 1 232 ? 44.161 43.389 50.750 1.00 20.00 ? 232 CYS A H 1 ATOM 2100 N N . LEU A 1 233 ? 46.294 42.781 47.069 1.00 22.63 ? 233 LEU A N 1 ATOM 2101 C CA . LEU A 1 233 ? 47.562 42.901 46.319 1.00 25.98 ? 233 LEU A CA 1 ATOM 2102 C C . LEU A 1 233 ? 48.603 41.852 46.820 1.00 28.16 ? 233 LEU A C 1 ATOM 2103 O O . LEU A 1 233 ? 49.099 41.980 47.972 1.00 30.00 ? 233 LEU A O 1 ATOM 2104 C CB . LEU A 1 233 ? 48.139 44.300 46.384 1.00 26.44 ? 233 LEU A CB 1 ATOM 2105 C CG . LEU A 1 233 ? 47.283 45.397 45.788 1.00 25.01 ? 233 LEU A CG 1 ATOM 2106 C CD1 . LEU A 1 233 ? 48.222 46.528 45.462 1.00 27.58 ? 233 LEU A CD1 1 ATOM 2107 C CD2 . LEU A 1 233 ? 46.559 44.909 44.590 1.00 21.88 ? 233 LEU A CD2 1 ATOM 2108 O OXT . LEU A 1 233 ? 48.894 40.867 46.095 1.00 30.42 ? 233 LEU A OXT 1 ATOM 2109 H H . LEU A 1 233 ? 45.671 42.111 46.763 1.00 20.00 ? 233 LEU A H 1 HETATM 2110 C C1 . NAG B 2 . ? 63.650 27.123 57.774 1.00 23.42 ? 1001 NAG A C1 1 HETATM 2111 C C2 . NAG B 2 . ? 64.953 27.161 58.579 1.00 25.59 ? 1001 NAG A C2 1 HETATM 2112 C C3 . NAG B 2 . ? 65.565 25.778 58.827 1.00 26.59 ? 1001 NAG A C3 1 HETATM 2113 C C4 . NAG B 2 . ? 64.513 24.684 59.108 1.00 27.11 ? 1001 NAG A C4 1 HETATM 2114 C C5 . NAG B 2 . ? 63.336 24.796 58.132 1.00 26.08 ? 1001 NAG A C5 1 HETATM 2115 C C6 . NAG B 2 . ? 62.207 23.839 58.452 1.00 25.05 ? 1001 NAG A C6 1 HETATM 2116 C C7 . NAG B 2 . ? 66.466 29.020 58.389 1.00 28.62 ? 1001 NAG A C7 1 HETATM 2117 C C8 . NAG B 2 . ? 67.521 29.792 57.584 1.00 28.98 ? 1001 NAG A C8 1 HETATM 2118 N N2 . NAG B 2 . ? 65.942 27.935 57.842 1.00 27.59 ? 1001 NAG A N2 1 HETATM 2119 O O3 . NAG B 2 . ? 66.465 25.879 59.935 1.00 26.71 ? 1001 NAG A O3 1 HETATM 2120 O O4 . NAG B 2 . ? 65.125 23.379 58.947 1.00 29.85 ? 1001 NAG A O4 1 HETATM 2121 O O5 . NAG B 2 . ? 62.777 26.095 58.227 1.00 23.38 ? 1001 NAG A O5 1 HETATM 2122 O O6 . NAG B 2 . ? 61.595 24.205 59.680 1.00 27.18 ? 1001 NAG A O6 1 HETATM 2123 O O7 . NAG B 2 . ? 66.100 29.434 59.487 1.00 31.12 ? 1001 NAG A O7 1 HETATM 2124 H H1 . NAG B 2 . ? 63.869 26.903 56.711 1.00 0.00 ? 1001 NAG A H1 1 HETATM 2125 H H2 . NAG B 2 . ? 64.681 27.561 59.572 1.00 0.00 ? 1001 NAG A H2 1 HETATM 2126 H H3 . NAG B 2 . ? 66.136 25.469 57.936 1.00 0.00 ? 1001 NAG A H3 1 HETATM 2127 H H4 . NAG B 2 . ? 64.136 24.842 60.133 1.00 0.00 ? 1001 NAG A H4 1 HETATM 2128 H H5 . NAG B 2 . ? 63.697 24.586 57.110 1.00 0.00 ? 1001 NAG A H5 1 HETATM 2129 H H61 . NAG B 2 . ? 61.453 23.903 57.655 1.00 0.00 ? 1001 NAG A H61 1 HETATM 2130 H H62 . NAG B 2 . ? 62.543 22.795 58.459 1.00 0.00 ? 1001 NAG A H62 1 HETATM 2131 H H81 . NAG B 2 . ? 67.123 30.767 57.274 1.00 0.00 ? 1001 NAG A H81 1 HETATM 2132 H H82 . NAG B 2 . ? 67.829 29.227 56.692 1.00 0.00 ? 1001 NAG A H82 1 HETATM 2133 H H83 . NAG B 2 . ? 68.418 29.961 58.186 1.00 0.00 ? 1001 NAG A H83 1 HETATM 2134 H HN2 . NAG B 2 . ? 66.214 27.654 56.944 1.00 0.00 ? 1001 NAG A HN2 1 HETATM 2135 H HO3 . NAG B 2 . ? 66.865 25.022 60.097 1.00 0.00 ? 1001 NAG A HO3 1 HETATM 2136 H HO6 . NAG B 2 . ? 60.843 23.631 59.839 1.00 0.00 ? 1001 NAG A HO6 1 HETATM 2137 C C1 . NAG C 2 . ? 64.959 22.436 59.951 1.00 32.88 ? 1003 NAG A C1 1 HETATM 2138 C C2 . NAG C 2 . ? 65.415 21.073 59.426 1.00 35.85 ? 1003 NAG A C2 1 HETATM 2139 C C3 . NAG C 2 . ? 65.434 20.014 60.538 1.00 36.36 ? 1003 NAG A C3 1 HETATM 2140 C C4 . NAG C 2 . ? 66.105 20.552 61.820 1.00 35.78 ? 1003 NAG A C4 1 HETATM 2141 C C5 . NAG C 2 . ? 65.581 21.950 62.190 1.00 35.42 ? 1003 NAG A C5 1 HETATM 2142 C C6 . NAG C 2 . ? 66.318 22.576 63.364 1.00 36.74 ? 1003 NAG A C6 1 HETATM 2143 C C7 . NAG C 2 . ? 64.769 20.895 57.093 1.00 42.34 ? 1003 NAG A C7 1 HETATM 2144 C C8 . NAG C 2 . ? 63.726 20.453 56.068 1.00 43.02 ? 1003 NAG A C8 1 HETATM 2145 N N2 . NAG C 2 . ? 64.494 20.660 58.379 1.00 39.78 ? 1003 NAG A N2 1 HETATM 2146 O O3 . NAG C 2 . ? 66.154 18.881 60.065 1.00 35.63 ? 1003 NAG A O3 1 HETATM 2147 O O4 . NAG C 2 . ? 65.865 19.650 62.925 1.00 34.38 ? 1003 NAG A O4 1 HETATM 2148 O O5 . NAG C 2 . ? 65.745 22.839 61.074 1.00 33.51 ? 1003 NAG A O5 1 HETATM 2149 O O6 . NAG C 2 . ? 67.661 22.918 63.024 1.00 39.59 ? 1003 NAG A O6 1 HETATM 2150 O O7 . NAG C 2 . ? 65.832 21.402 56.711 1.00 43.26 ? 1003 NAG A O7 1 HETATM 2151 H H1 . NAG C 2 . ? 63.899 22.403 60.257 1.00 0.00 ? 1003 NAG A H1 1 HETATM 2152 H H2 . NAG C 2 . ? 66.457 21.168 59.071 1.00 0.00 ? 1003 NAG A H2 1 HETATM 2153 H H3 . NAG C 2 . ? 64.400 19.724 60.778 1.00 0.00 ? 1003 NAG A H3 1 HETATM 2154 H H4 . NAG C 2 . ? 67.173 20.676 61.568 1.00 0.00 ? 1003 NAG A H4 1 HETATM 2155 H H5 . NAG C 2 . ? 64.517 21.856 62.468 1.00 0.00 ? 1003 NAG A H5 1 HETATM 2156 H H61 . NAG C 2 . ? 66.320 21.894 64.228 1.00 0.00 ? 1003 NAG A H61 1 HETATM 2157 H H62 . NAG C 2 . ? 65.790 23.486 63.684 1.00 0.00 ? 1003 NAG A H62 1 HETATM 2158 H H81 . NAG C 2 . ? 64.010 20.779 55.057 1.00 0.00 ? 1003 NAG A H81 1 HETATM 2159 H H82 . NAG C 2 . ? 62.749 20.897 56.309 1.00 0.00 ? 1003 NAG A H82 1 HETATM 2160 H H83 . NAG C 2 . ? 63.631 19.358 56.071 1.00 0.00 ? 1003 NAG A H83 1 HETATM 2161 H HN2 . NAG C 2 . ? 63.667 20.193 58.620 1.00 0.00 ? 1003 NAG A HN2 1 HETATM 2162 H HO3 . NAG C 2 . ? 65.714 18.530 59.287 1.00 0.00 ? 1003 NAG A HO3 1 HETATM 2163 H HO6 . NAG C 2 . ? 67.664 23.444 62.221 1.00 0.00 ? 1003 NAG A HO6 1 HETATM 2164 C C1 . BMA D 3 . ? 66.978 18.965 63.389 1.00 34.98 ? 1004 BMA A C1 1 HETATM 2165 C C2 . BMA D 3 . ? 66.736 18.484 64.822 1.00 35.02 ? 1004 BMA A C2 1 HETATM 2166 C C3 . BMA D 3 . ? 67.907 17.612 65.289 1.00 34.20 ? 1004 BMA A C3 1 HETATM 2167 C C4 . BMA D 3 . ? 68.214 16.513 64.260 1.00 33.57 ? 1004 BMA A C4 1 HETATM 2168 C C5 . BMA D 3 . ? 68.372 17.103 62.861 1.00 33.57 ? 1004 BMA A C5 1 HETATM 2169 C C6 . BMA D 3 . ? 68.583 15.978 61.866 1.00 32.76 ? 1004 BMA A C6 1 HETATM 2170 O O2 . BMA D 3 . ? 65.510 17.765 64.899 1.00 35.25 ? 1004 BMA A O2 1 HETATM 2171 O O3 . BMA D 3 . ? 67.622 17.036 66.562 1.00 35.41 ? 1004 BMA A O3 1 HETATM 2172 O O4 . BMA D 3 . ? 69.429 15.862 64.606 1.00 33.73 ? 1004 BMA A O4 1 HETATM 2173 O O5 . BMA D 3 . ? 67.200 17.852 62.508 1.00 34.79 ? 1004 BMA A O5 1 HETATM 2174 O O6 . BMA D 3 . ? 69.297 16.450 60.705 1.00 33.79 ? 1004 BMA A O6 1 HETATM 2175 H H1 . BMA D 3 . ? 67.860 19.635 63.369 1.00 0.00 ? 1004 BMA A H1 1 HETATM 2176 H H2 . BMA D 3 . ? 66.617 19.372 65.467 1.00 0.00 ? 1004 BMA A H2 1 HETATM 2177 H H3 . BMA D 3 . ? 68.795 18.254 65.398 1.00 0.00 ? 1004 BMA A H3 1 HETATM 2178 H H4 . BMA D 3 . ? 67.390 15.782 64.260 1.00 0.00 ? 1004 BMA A H4 1 HETATM 2179 H H5 . BMA D 3 . ? 69.274 17.740 62.881 1.00 0.00 ? 1004 BMA A H5 1 HETATM 2180 H H61 . BMA D 3 . ? 67.629 15.457 61.680 1.00 0.00 ? 1004 BMA A H61 1 HETATM 2181 H H62 . BMA D 3 . ? 69.247 15.232 62.293 1.00 0.00 ? 1004 BMA A H62 1 HETATM 2182 H HO2 . BMA D 3 . ? 65.358 17.496 65.808 1.00 0.00 ? 1004 BMA A HO2 1 HETATM 2183 H HO3 . BMA D 3 . ? 66.859 16.458 66.485 1.00 0.00 ? 1004 BMA A HO3 1 HETATM 2184 H HO4 . BMA D 3 . ? 70.146 16.500 64.597 1.00 0.00 ? 1004 BMA A HO4 1 HETATM 2185 C C1 . BMA E 3 . ? 68.492 16.552 59.600 1.00 33.04 ? 1005 BMA A C1 1 HETATM 2186 C C2 . BMA E 3 . ? 69.137 17.158 58.369 1.00 34.07 ? 1005 BMA A C2 1 HETATM 2187 C C3 . BMA E 3 . ? 67.927 17.615 57.551 1.00 35.14 ? 1005 BMA A C3 1 HETATM 2188 C C4 . BMA E 3 . ? 66.958 16.451 57.285 1.00 32.82 ? 1005 BMA A C4 1 HETATM 2189 C C5 . BMA E 3 . ? 66.608 15.709 58.578 1.00 31.17 ? 1005 BMA A C5 1 HETATM 2190 C C6 . BMA E 3 . ? 65.792 14.477 58.336 1.00 28.86 ? 1005 BMA A C6 1 HETATM 2191 O O2 . BMA E 3 . ? 69.836 16.167 57.622 1.00 30.26 ? 1005 BMA A O2 1 HETATM 2192 O O3 . BMA E 3 . ? 68.362 18.157 56.293 1.00 41.43 ? 1005 BMA A O3 1 HETATM 2193 O O4 . BMA E 3 . ? 65.770 16.963 56.714 1.00 31.85 ? 1005 BMA A O4 1 HETATM 2194 O O5 . BMA E 3 . ? 67.814 15.373 59.261 1.00 32.30 ? 1005 BMA A O5 1 HETATM 2195 O O6 . BMA E 3 . ? 66.458 13.687 57.336 1.00 26.13 ? 1005 BMA A O6 1 HETATM 2196 H H1 . BMA E 3 . ? 67.769 17.255 60.031 1.00 0.00 ? 1005 BMA A H1 1 HETATM 2197 H H2 . BMA E 3 . ? 69.858 17.938 58.667 1.00 0.00 ? 1005 BMA A H2 1 HETATM 2198 H H3 . BMA E 3 . ? 67.386 18.407 58.085 1.00 0.00 ? 1005 BMA A H3 1 HETATM 2199 H H4 . BMA E 3 . ? 67.439 15.779 56.560 1.00 0.00 ? 1005 BMA A H4 1 HETATM 2200 H H5 . BMA E 3 . ? 65.981 16.337 59.238 1.00 0.00 ? 1005 BMA A H5 1 HETATM 2201 H H61 . BMA E 3 . ? 64.796 14.816 58.026 1.00 0.00 ? 1005 BMA A H61 1 HETATM 2202 H H62 . BMA E 3 . ? 65.685 13.903 59.268 1.00 0.00 ? 1005 BMA A H62 1 HETATM 2203 H HO2 . BMA E 3 . ? 70.210 16.568 56.834 1.00 0.00 ? 1005 BMA A HO2 1 HETATM 2204 H HO4 . BMA E 3 . ? 65.348 17.556 57.341 1.00 0.00 ? 1005 BMA A HO4 1 HETATM 2205 C C1 . MAN F 4 . ? 65.646 12.741 56.706 1.00 25.18 ? 1006 MAN A C1 1 HETATM 2206 C C2 . MAN F 4 . ? 66.395 11.928 55.658 1.00 24.22 ? 1006 MAN A C2 1 HETATM 2207 C C3 . MAN F 4 . ? 66.576 12.806 54.391 1.00 24.05 ? 1006 MAN A C3 1 HETATM 2208 C C4 . MAN F 4 . ? 65.220 13.458 53.946 1.00 24.72 ? 1006 MAN A C4 1 HETATM 2209 C C5 . MAN F 4 . ? 64.478 14.163 55.119 1.00 24.36 ? 1006 MAN A C5 1 HETATM 2210 C C6 . MAN F 4 . ? 63.072 14.631 54.737 1.00 23.33 ? 1006 MAN A C6 1 HETATM 2211 O O2 . MAN F 4 . ? 65.664 10.734 55.368 1.00 20.81 ? 1006 MAN A O2 1 HETATM 2212 O O3 . MAN F 4 . ? 67.122 12.021 53.336 1.00 24.65 ? 1006 MAN A O3 1 HETATM 2213 O O4 . MAN F 4 . ? 65.451 14.403 52.896 1.00 24.54 ? 1006 MAN A O4 1 HETATM 2214 O O5 . MAN F 4 . ? 64.387 13.266 56.256 1.00 24.53 ? 1006 MAN A O5 1 HETATM 2215 O O6 . MAN F 4 . ? 62.263 13.516 54.417 1.00 21.20 ? 1006 MAN A O6 1 HETATM 2216 H H1 . MAN F 4 . ? 66.147 13.696 56.371 1.00 0.00 ? 1006 MAN A H1 1 HETATM 2217 H H2 . MAN F 4 . ? 67.355 11.591 56.079 1.00 0.00 ? 1006 MAN A H2 1 HETATM 2218 H H3 . MAN F 4 . ? 67.320 13.602 54.564 1.00 0.00 ? 1006 MAN A H3 1 HETATM 2219 H H4 . MAN F 4 . ? 64.562 12.670 53.645 1.00 0.00 ? 1006 MAN A H4 1 HETATM 2220 H H5 . MAN F 4 . ? 64.995 15.103 55.362 1.00 0.00 ? 1006 MAN A H5 1 HETATM 2221 H H61 . MAN F 4 . ? 63.113 15.316 53.878 1.00 0.00 ? 1006 MAN A H61 1 HETATM 2222 H H62 . MAN F 4 . ? 62.616 15.180 55.576 1.00 0.00 ? 1006 MAN A H62 1 HETATM 2223 H HO2 . MAN F 4 . ? 65.546 10.231 56.177 1.00 0.00 ? 1006 MAN A HO2 1 HETATM 2224 H HO3 . MAN F 4 . ? 67.210 12.567 52.551 1.00 0.00 ? 1006 MAN A HO3 1 HETATM 2225 H HO4 . MAN F 4 . ? 65.832 13.950 52.140 1.00 0.00 ? 1006 MAN A HO4 1 HETATM 2226 H HO6 . MAN F 4 . ? 61.359 13.807 54.278 1.00 0.00 ? 1006 MAN A HO6 1 HETATM 2227 C C1 . MAN G 4 . ? 68.639 19.519 56.262 1.00 46.45 ? 1007 MAN A C1 1 HETATM 2228 C C2 . MAN G 4 . ? 68.504 20.129 54.870 1.00 48.47 ? 1007 MAN A C2 1 HETATM 2229 C C3 . MAN G 4 . ? 69.638 19.616 53.989 1.00 48.97 ? 1007 MAN A C3 1 HETATM 2230 C C4 . MAN G 4 . ? 70.994 19.908 54.647 1.00 48.21 ? 1007 MAN A C4 1 HETATM 2231 C C5 . MAN G 4 . ? 71.094 19.449 56.149 1.00 47.29 ? 1007 MAN A C5 1 HETATM 2232 C C6 . MAN G 4 . ? 72.295 20.093 56.856 1.00 46.93 ? 1007 MAN A C6 1 HETATM 2233 O O2 . MAN G 4 . ? 68.591 21.543 54.967 1.00 50.24 ? 1007 MAN A O2 1 HETATM 2234 O O3 . MAN G 4 . ? 69.574 20.230 52.705 1.00 50.12 ? 1007 MAN A O3 1 HETATM 2235 O O4 . MAN G 4 . ? 71.985 19.238 53.883 1.00 48.31 ? 1007 MAN A O4 1 HETATM 2236 O O5 . MAN G 4 . ? 69.902 19.815 56.907 1.00 47.41 ? 1007 MAN A O5 1 HETATM 2237 O O6 . MAN G 4 . ? 73.490 19.400 56.553 1.00 47.20 ? 1007 MAN A O6 1 HETATM 2238 H H1 . MAN G 4 . ? 69.157 18.570 55.955 1.00 0.00 ? 1007 MAN A H1 1 HETATM 2239 H H2 . MAN G 4 . ? 67.512 19.878 54.460 1.00 0.00 ? 1007 MAN A H2 1 HETATM 2240 H H3 . MAN G 4 . ? 69.531 18.533 53.805 1.00 0.00 ? 1007 MAN A H3 1 HETATM 2241 H H4 . MAN G 4 . ? 71.157 20.993 54.594 1.00 0.00 ? 1007 MAN A H4 1 HETATM 2242 H H5 . MAN G 4 . ? 71.241 18.359 56.257 1.00 0.00 ? 1007 MAN A H5 1 HETATM 2243 H H61 . MAN G 4 . ? 72.151 20.090 57.948 1.00 0.00 ? 1007 MAN A H61 1 HETATM 2244 H H62 . MAN G 4 . ? 72.380 21.130 56.532 1.00 0.00 ? 1007 MAN A H62 1 HETATM 2245 H HO2 . MAN G 4 . ? 69.438 21.786 55.347 1.00 0.00 ? 1007 MAN A HO2 1 HETATM 2246 H HO3 . MAN G 4 . ? 68.726 20.034 52.302 1.00 0.00 ? 1007 MAN A HO3 1 HETATM 2247 H HO4 . MAN G 4 . ? 72.829 19.285 54.332 1.00 0.00 ? 1007 MAN A HO4 1 HETATM 2248 H HO6 . MAN G 4 . ? 73.558 19.284 55.603 1.00 0.00 ? 1007 MAN A HO6 1 HETATM 2249 C C1 . NAG H 2 . ? 58.459 19.262 10.532 1.00 41.49 ? 1002 NAG A C1 1 HETATM 2250 C C2 . NAG H 2 . ? 59.799 18.911 9.839 1.00 44.77 ? 1002 NAG A C2 1 HETATM 2251 C C3 . NAG H 2 . ? 60.542 20.178 9.345 1.00 44.99 ? 1002 NAG A C3 1 HETATM 2252 C C4 . NAG H 2 . ? 59.607 21.039 8.496 1.00 44.82 ? 1002 NAG A C4 1 HETATM 2253 C C5 . NAG H 2 . ? 58.347 21.353 9.310 1.00 43.58 ? 1002 NAG A C5 1 HETATM 2254 C C6 . NAG H 2 . ? 57.345 22.205 8.546 1.00 43.79 ? 1002 NAG A C6 1 HETATM 2255 C C7 . NAG H 2 . ? 61.306 17.079 10.351 1.00 48.29 ? 1002 NAG A C7 1 HETATM 2256 C C8 . NAG H 2 . ? 62.189 16.380 11.378 1.00 47.44 ? 1002 NAG A C8 1 HETATM 2257 N N2 . NAG H 2 . ? 60.659 18.176 10.755 1.00 46.96 ? 1002 NAG A N2 1 HETATM 2258 O O3 . NAG H 2 . ? 61.679 19.808 8.569 1.00 45.65 ? 1002 NAG A O3 1 HETATM 2259 O O4 . NAG H 2 . ? 60.270 22.241 8.094 1.00 44.92 ? 1002 NAG A O4 1 HETATM 2260 O O5 . NAG H 2 . ? 57.668 20.122 9.686 1.00 42.11 ? 1002 NAG A O5 1 HETATM 2261 O O6 . NAG H 2 . ? 56.495 21.410 7.729 1.00 45.66 ? 1002 NAG A O6 1 HETATM 2262 O O7 . NAG H 2 . ? 61.213 16.621 9.202 1.00 49.51 ? 1002 NAG A O7 1 HETATM 2263 H H1 . NAG H 2 . ? 58.622 19.839 11.456 1.00 0.00 ? 1002 NAG A H1 1 HETATM 2264 H H2 . NAG H 2 . ? 59.521 18.324 8.948 1.00 0.00 ? 1002 NAG A H2 1 HETATM 2265 H H3 . NAG H 2 . ? 60.885 20.759 10.216 1.00 0.00 ? 1002 NAG A H3 1 HETATM 2266 H H4 . NAG H 2 . ? 59.321 20.475 7.594 1.00 0.00 ? 1002 NAG A H4 1 HETATM 2267 H H5 . NAG H 2 . ? 58.687 21.923 10.189 1.00 0.00 ? 1002 NAG A H5 1 HETATM 2268 H H61 . NAG H 2 . ? 56.713 22.750 9.255 1.00 0.00 ? 1002 NAG A H61 1 HETATM 2269 H H62 . NAG H 2 . ? 57.839 22.969 7.930 1.00 0.00 ? 1002 NAG A H62 1 HETATM 2270 H H81 . NAG H 2 . ? 63.248 16.487 11.100 1.00 0.00 ? 1002 NAG A H81 1 HETATM 2271 H H82 . NAG H 2 . ? 61.943 15.310 11.426 1.00 0.00 ? 1002 NAG A H82 1 HETATM 2272 H H83 . NAG H 2 . ? 62.049 16.812 12.380 1.00 0.00 ? 1002 NAG A H83 1 HETATM 2273 H HN2 . NAG H 2 . ? 60.759 18.486 11.679 1.00 0.00 ? 1002 NAG A HN2 1 HETATM 2274 H HO3 . NAG H 2 . ? 61.391 19.292 7.813 1.00 0.00 ? 1002 NAG A HO3 1 HETATM 2275 H HO4 . NAG H 2 . ? 59.698 22.747 7.513 1.00 0.00 ? 1002 NAG A HO4 1 HETATM 2276 H HO6 . NAG H 2 . ? 55.957 20.843 8.286 1.00 0.00 ? 1002 NAG A HO6 1 HETATM 2277 S S . SO4 I 5 . ? 54.044 17.582 37.710 1.00 27.15 ? 2001 SO4 A S 1 HETATM 2278 O O1 . SO4 I 5 . ? 55.023 17.324 36.658 1.00 26.98 ? 2001 SO4 A O1 1 HETATM 2279 O O2 . SO4 I 5 . ? 53.639 16.286 38.167 1.00 28.24 ? 2001 SO4 A O2 1 HETATM 2280 O O3 . SO4 I 5 . ? 54.774 18.223 38.735 1.00 27.95 ? 2001 SO4 A O3 1 HETATM 2281 O O4 . SO4 I 5 . ? 52.869 18.435 37.360 1.00 23.69 ? 2001 SO4 A O4 1 HETATM 2282 S S . SO4 J 5 . ? 61.984 32.679 33.528 1.00 52.74 ? 2002 SO4 A S 1 HETATM 2283 O O1 . SO4 J 5 . ? 61.965 33.700 32.452 1.00 51.07 ? 2002 SO4 A O1 1 HETATM 2284 O O2 . SO4 J 5 . ? 60.842 31.731 33.559 1.00 49.05 ? 2002 SO4 A O2 1 HETATM 2285 O O3 . SO4 J 5 . ? 63.227 31.930 33.301 1.00 53.66 ? 2002 SO4 A O3 1 HETATM 2286 O O4 . SO4 J 5 . ? 62.190 33.284 34.862 1.00 52.06 ? 2002 SO4 A O4 1 HETATM 2287 O O . HOH K 6 . ? 58.979 9.726 18.625 1.00 35.91 ? 2003 HOH A O 1 HETATM 2288 H H1 . HOH K 6 . ? 58.640 10.620 18.672 1.00 0.00 ? 2003 HOH A H1 1 HETATM 2289 H H2 . HOH K 6 . ? 58.281 9.185 18.995 1.00 0.00 ? 2003 HOH A H2 1 HETATM 2290 O O . HOH K 6 . ? 51.130 25.702 36.681 1.00 13.43 ? 2004 HOH A O 1 HETATM 2291 H H1 . HOH K 6 . ? 51.841 26.237 36.329 1.00 0.00 ? 2004 HOH A H1 1 HETATM 2292 H H2 . HOH K 6 . ? 50.354 26.259 36.613 1.00 0.00 ? 2004 HOH A H2 1 HETATM 2293 O O . HOH K 6 . ? 52.154 23.384 33.964 1.00 11.88 ? 2005 HOH A O 1 HETATM 2294 H H1 . HOH K 6 . ? 51.323 23.823 34.146 1.00 0.00 ? 2005 HOH A H1 1 HETATM 2295 H H2 . HOH K 6 . ? 52.739 24.088 33.684 1.00 0.00 ? 2005 HOH A H2 1 HETATM 2296 O O . HOH K 6 . ? 55.800 30.652 25.086 1.00 10.66 ? 2006 HOH A O 1 HETATM 2297 H H1 . HOH K 6 . ? 54.935 31.057 25.029 1.00 0.00 ? 2006 HOH A H1 1 HETATM 2298 H H2 . HOH K 6 . ? 56.253 30.944 24.294 1.00 0.00 ? 2006 HOH A H2 1 HETATM 2299 O O . HOH K 6 . ? 35.720 36.726 59.530 1.00 11.04 ? 2007 HOH A O 1 HETATM 2300 H H1 . HOH K 6 . ? 35.263 37.140 60.262 1.00 0.00 ? 2007 HOH A H1 1 HETATM 2301 H H2 . HOH K 6 . ? 36.532 37.223 59.443 1.00 0.00 ? 2007 HOH A H2 1 HETATM 2302 O O . HOH K 6 . ? 35.713 21.804 55.106 1.00 62.37 ? 2008 HOH A O 1 HETATM 2303 H H1 . HOH K 6 . ? 35.580 22.111 56.002 1.00 0.00 ? 2008 HOH A H1 1 HETATM 2304 H H2 . HOH K 6 . ? 35.076 22.298 54.587 1.00 0.00 ? 2008 HOH A H2 1 HETATM 2305 O O . HOH K 6 . ? 51.149 31.063 34.617 1.00 12.87 ? 2009 HOH A O 1 HETATM 2306 H H1 . HOH K 6 . ? 50.862 31.973 34.553 1.00 0.00 ? 2009 HOH A H1 1 HETATM 2307 H H2 . HOH K 6 . ? 51.830 31.074 35.291 1.00 0.00 ? 2009 HOH A H2 1 HETATM 2308 O O . HOH K 6 . ? 51.877 30.422 18.642 1.00 15.04 ? 2010 HOH A O 1 HETATM 2309 H H1 . HOH K 6 . ? 52.628 30.720 19.156 1.00 0.00 ? 2010 HOH A H1 1 HETATM 2310 H H2 . HOH K 6 . ? 52.101 30.644 17.739 1.00 0.00 ? 2010 HOH A H2 1 HETATM 2311 O O . HOH K 6 . ? 60.453 32.833 59.360 1.00 27.44 ? 2011 HOH A O 1 HETATM 2312 H H1 . HOH K 6 . ? 59.814 32.121 59.327 1.00 0.00 ? 2011 HOH A H1 1 HETATM 2313 H H2 . HOH K 6 . ? 60.698 32.973 58.444 1.00 0.00 ? 2011 HOH A H2 1 HETATM 2314 O O . HOH K 6 . ? 52.605 27.139 46.058 1.00 14.02 ? 2012 HOH A O 1 HETATM 2315 H H1 . HOH K 6 . ? 51.778 27.417 46.451 1.00 0.00 ? 2012 HOH A H1 1 HETATM 2316 H H2 . HOH K 6 . ? 53.100 27.951 45.947 1.00 0.00 ? 2012 HOH A H2 1 HETATM 2317 O O . HOH K 6 . ? 64.300 30.509 49.123 1.00 18.48 ? 2013 HOH A O 1 HETATM 2318 H H1 . HOH K 6 . ? 63.893 31.372 49.181 1.00 0.00 ? 2013 HOH A H1 1 HETATM 2319 H H2 . HOH K 6 . ? 63.599 29.895 49.343 1.00 0.00 ? 2013 HOH A H2 1 HETATM 2320 O O . HOH K 6 . ? 42.035 24.517 22.585 1.00 13.68 ? 2014 HOH A O 1 HETATM 2321 H H1 . HOH K 6 . ? 42.540 25.180 23.056 1.00 0.00 ? 2014 HOH A H1 1 HETATM 2322 H H2 . HOH K 6 . ? 42.312 23.686 22.970 1.00 0.00 ? 2014 HOH A H2 1 HETATM 2323 O O . HOH K 6 . ? 59.981 30.913 60.870 1.00 26.65 ? 2015 HOH A O 1 HETATM 2324 H H1 . HOH K 6 . ? 59.737 31.125 59.968 1.00 0.00 ? 2015 HOH A H1 1 HETATM 2325 H H2 . HOH K 6 . ? 60.023 29.957 60.885 1.00 0.00 ? 2015 HOH A H2 1 HETATM 2326 O O . HOH K 6 . ? 51.224 25.130 44.432 1.00 13.71 ? 2016 HOH A O 1 HETATM 2327 H H1 . HOH K 6 . ? 50.372 25.109 43.997 1.00 0.00 ? 2016 HOH A H1 1 HETATM 2328 H H2 . HOH K 6 . ? 51.853 24.934 43.738 1.00 0.00 ? 2016 HOH A H2 1 HETATM 2329 O O . HOH K 6 . ? 39.887 32.998 15.663 1.00 14.01 ? 2017 HOH A O 1 HETATM 2330 H H1 . HOH K 6 . ? 40.202 32.256 16.179 1.00 0.00 ? 2017 HOH A H1 1 HETATM 2331 H H2 . HOH K 6 . ? 40.505 33.063 14.935 1.00 0.00 ? 2017 HOH A H2 1 HETATM 2332 O O . HOH K 6 . ? 43.802 20.717 54.156 1.00 16.06 ? 2018 HOH A O 1 HETATM 2333 H H1 . HOH K 6 . ? 43.885 20.315 53.291 1.00 0.00 ? 2018 HOH A H1 1 HETATM 2334 H H2 . HOH K 6 . ? 44.353 21.498 54.111 1.00 0.00 ? 2018 HOH A H2 1 HETATM 2335 O O . HOH K 6 . ? 58.767 33.277 44.678 1.00 18.12 ? 2019 HOH A O 1 HETATM 2336 H H1 . HOH K 6 . ? 57.976 32.739 44.656 1.00 0.00 ? 2019 HOH A H1 1 HETATM 2337 H H2 . HOH K 6 . ? 58.573 34.013 44.097 1.00 0.00 ? 2019 HOH A H2 1 HETATM 2338 O O . HOH K 6 . ? 37.802 20.950 51.551 1.00 57.86 ? 2020 HOH A O 1 HETATM 2339 H H1 . HOH K 6 . ? 37.488 21.830 51.763 1.00 0.00 ? 2020 HOH A H1 1 HETATM 2340 H H2 . HOH K 6 . ? 38.485 21.092 50.895 1.00 0.00 ? 2020 HOH A H2 1 HETATM 2341 O O . HOH K 6 . ? 42.177 16.433 39.099 1.00 16.08 ? 2021 HOH A O 1 HETATM 2342 H H1 . HOH K 6 . ? 42.502 17.302 38.867 1.00 0.00 ? 2021 HOH A H1 1 HETATM 2343 H H2 . HOH K 6 . ? 41.239 16.558 39.247 1.00 0.00 ? 2021 HOH A H2 1 HETATM 2344 O O . HOH K 6 . ? 49.139 23.488 45.250 1.00 15.82 ? 2022 HOH A O 1 HETATM 2345 H H1 . HOH K 6 . ? 49.413 22.582 45.105 1.00 0.00 ? 2022 HOH A H1 1 HETATM 2346 H H2 . HOH K 6 . ? 48.183 23.454 45.244 1.00 0.00 ? 2022 HOH A H2 1 HETATM 2347 O O . HOH K 6 . ? 46.705 13.689 37.883 1.00 16.56 ? 2023 HOH A O 1 HETATM 2348 H H1 . HOH K 6 . ? 47.054 13.692 36.991 1.00 0.00 ? 2023 HOH A H1 1 HETATM 2349 H H2 . HOH K 6 . ? 46.870 14.574 38.207 1.00 0.00 ? 2023 HOH A H2 1 HETATM 2350 O O . HOH K 6 . ? 28.546 33.003 23.114 1.00 33.28 ? 2024 HOH A O 1 HETATM 2351 H H1 . HOH K 6 . ? 28.936 33.102 22.245 1.00 0.00 ? 2024 HOH A H1 1 HETATM 2352 H H2 . HOH K 6 . ? 29.183 32.480 23.602 1.00 0.00 ? 2024 HOH A H2 1 HETATM 2353 O O . HOH K 6 . ? 56.712 30.039 60.063 1.00 17.85 ? 2025 HOH A O 1 HETATM 2354 H H1 . HOH K 6 . ? 57.095 29.668 59.268 1.00 0.00 ? 2025 HOH A H1 1 HETATM 2355 H H2 . HOH K 6 . ? 56.870 30.979 59.989 1.00 0.00 ? 2025 HOH A H2 1 HETATM 2356 O O . HOH K 6 . ? 33.279 31.481 56.351 1.00 17.36 ? 2026 HOH A O 1 HETATM 2357 H H1 . HOH K 6 . ? 32.563 30.856 56.464 1.00 0.00 ? 2026 HOH A H1 1 HETATM 2358 H H2 . HOH K 6 . ? 33.788 31.130 55.620 1.00 0.00 ? 2026 HOH A H2 1 HETATM 2359 O O . HOH K 6 . ? 60.009 3.882 17.834 1.00 57.66 ? 2027 HOH A O 1 HETATM 2360 H H1 . HOH K 6 . ? 60.594 3.217 18.196 1.00 0.00 ? 2027 HOH A H1 1 HETATM 2361 H H2 . HOH K 6 . ? 59.134 3.504 17.918 1.00 0.00 ? 2027 HOH A H2 1 HETATM 2362 O O . HOH K 6 . ? 34.974 34.059 28.743 1.00 22.24 ? 2028 HOH A O 1 HETATM 2363 H H1 . HOH K 6 . ? 34.778 33.133 28.889 1.00 0.00 ? 2028 HOH A H1 1 HETATM 2364 H H2 . HOH K 6 . ? 35.794 34.206 29.214 1.00 0.00 ? 2028 HOH A H2 1 HETATM 2365 O O . HOH K 6 . ? 42.880 17.624 55.211 1.00 53.35 ? 2029 HOH A O 1 HETATM 2366 H H1 . HOH K 6 . ? 43.042 18.489 54.835 1.00 0.00 ? 2029 HOH A H1 1 HETATM 2367 H H2 . HOH K 6 . ? 43.227 17.011 54.563 1.00 0.00 ? 2029 HOH A H2 1 HETATM 2368 O O . HOH K 6 . ? 57.616 27.477 35.185 1.00 21.63 ? 2030 HOH A O 1 HETATM 2369 H H1 . HOH K 6 . ? 57.585 26.803 34.506 1.00 0.00 ? 2030 HOH A H1 1 HETATM 2370 H H2 . HOH K 6 . ? 56.822 27.994 35.048 1.00 0.00 ? 2030 HOH A H2 1 HETATM 2371 O O . HOH K 6 . ? 47.477 14.055 40.628 1.00 24.38 ? 2031 HOH A O 1 HETATM 2372 H H1 . HOH K 6 . ? 47.725 14.799 40.079 1.00 0.00 ? 2031 HOH A H1 1 HETATM 2373 H H2 . HOH K 6 . ? 47.320 14.436 41.492 1.00 0.00 ? 2031 HOH A H2 1 HETATM 2374 O O . HOH K 6 . ? 58.421 27.136 26.901 1.00 21.03 ? 2032 HOH A O 1 HETATM 2375 H H1 . HOH K 6 . ? 57.987 26.386 26.493 1.00 0.00 ? 2032 HOH A H1 1 HETATM 2376 H H2 . HOH K 6 . ? 59.071 26.745 27.485 1.00 0.00 ? 2032 HOH A H2 1 HETATM 2377 O O . HOH K 6 . ? 42.062 38.654 20.532 1.00 49.94 ? 2033 HOH A O 1 HETATM 2378 H H1 . HOH K 6 . ? 42.302 39.566 20.699 1.00 0.00 ? 2033 HOH A H1 1 HETATM 2379 H H2 . HOH K 6 . ? 41.257 38.520 21.033 1.00 0.00 ? 2033 HOH A H2 1 HETATM 2380 O O . HOH K 6 . ? 41.215 22.164 54.383 1.00 22.24 ? 2034 HOH A O 1 HETATM 2381 H H1 . HOH K 6 . ? 41.840 22.240 53.661 1.00 0.00 ? 2034 HOH A H1 1 HETATM 2382 H H2 . HOH K 6 . ? 41.161 23.047 54.749 1.00 0.00 ? 2034 HOH A H2 1 HETATM 2383 O O . HOH K 6 . ? 58.633 20.971 30.736 1.00 23.84 ? 2035 HOH A O 1 HETATM 2384 H H1 . HOH K 6 . ? 58.376 21.611 30.072 1.00 0.00 ? 2035 HOH A H1 1 HETATM 2385 H H2 . HOH K 6 . ? 58.248 20.147 30.437 1.00 0.00 ? 2035 HOH A H2 1 HETATM 2386 O O . HOH K 6 . ? 63.126 16.540 46.970 1.00 45.00 ? 2036 HOH A O 1 HETATM 2387 H H1 . HOH K 6 . ? 62.602 17.012 47.618 1.00 0.00 ? 2036 HOH A H1 1 HETATM 2388 H H2 . HOH K 6 . ? 62.835 15.631 47.040 1.00 0.00 ? 2036 HOH A H2 1 HETATM 2389 O O . HOH K 6 . ? 31.249 27.790 52.575 1.00 15.56 ? 2037 HOH A O 1 HETATM 2390 H H1 . HOH K 6 . ? 32.153 28.010 52.346 1.00 0.00 ? 2037 HOH A H1 1 HETATM 2391 H H2 . HOH K 6 . ? 30.871 27.458 51.761 1.00 0.00 ? 2037 HOH A H2 1 HETATM 2392 O O . HOH K 6 . ? 39.673 17.503 30.121 1.00 21.41 ? 2038 HOH A O 1 HETATM 2393 H H1 . HOH K 6 . ? 39.532 17.386 29.181 1.00 0.00 ? 2038 HOH A H1 1 HETATM 2394 H H2 . HOH K 6 . ? 40.150 18.330 30.192 1.00 0.00 ? 2038 HOH A H2 1 HETATM 2395 O O . HOH K 6 . ? 62.002 26.567 45.346 1.00 29.89 ? 2039 HOH A O 1 HETATM 2396 H H1 . HOH K 6 . ? 61.076 26.762 45.200 1.00 0.00 ? 2039 HOH A H1 1 HETATM 2397 H H2 . HOH K 6 . ? 62.005 25.978 46.100 1.00 0.00 ? 2039 HOH A H2 1 HETATM 2398 O O . HOH K 6 . ? 59.044 30.619 44.025 1.00 18.16 ? 2040 HOH A O 1 HETATM 2399 H H1 . HOH K 6 . ? 58.773 30.788 44.928 1.00 0.00 ? 2040 HOH A H1 1 HETATM 2400 H H2 . HOH K 6 . ? 58.407 29.983 43.699 1.00 0.00 ? 2040 HOH A H2 1 HETATM 2401 O O . HOH K 6 . ? 45.672 31.721 52.302 1.00 20.48 ? 2041 HOH A O 1 HETATM 2402 H H1 . HOH K 6 . ? 44.858 31.907 52.769 1.00 0.00 ? 2041 HOH A H1 1 HETATM 2403 H H2 . HOH K 6 . ? 45.614 30.792 52.080 1.00 0.00 ? 2041 HOH A H2 1 HETATM 2404 O O . HOH K 6 . ? 40.421 27.989 19.547 1.00 20.40 ? 2042 HOH A O 1 HETATM 2405 H H1 . HOH K 6 . ? 40.760 28.873 19.684 1.00 0.00 ? 2042 HOH A H1 1 HETATM 2406 H H2 . HOH K 6 . ? 40.986 27.428 20.078 1.00 0.00 ? 2042 HOH A H2 1 HETATM 2407 O O . HOH K 6 . ? 44.985 34.487 51.477 1.00 20.46 ? 2043 HOH A O 1 HETATM 2408 H H1 . HOH K 6 . ? 44.260 34.111 50.977 1.00 0.00 ? 2043 HOH A H1 1 HETATM 2409 H H2 . HOH K 6 . ? 44.938 35.427 51.299 1.00 0.00 ? 2043 HOH A H2 1 HETATM 2410 O O . HOH K 6 . ? 52.216 8.258 45.205 1.00 45.47 ? 2044 HOH A O 1 HETATM 2411 H H1 . HOH K 6 . ? 51.504 8.836 45.477 1.00 0.00 ? 2044 HOH A H1 1 HETATM 2412 H H2 . HOH K 6 . ? 51.829 7.383 45.197 1.00 0.00 ? 2044 HOH A H2 1 HETATM 2413 O O . HOH K 6 . ? 41.537 15.158 47.150 1.00 25.15 ? 2045 HOH A O 1 HETATM 2414 H H1 . HOH K 6 . ? 41.068 14.757 46.418 1.00 0.00 ? 2045 HOH A H1 1 HETATM 2415 H H2 . HOH K 6 . ? 42.234 15.666 46.736 1.00 0.00 ? 2045 HOH A H2 1 HETATM 2416 O O . HOH K 6 . ? 48.797 40.764 41.918 1.00 51.30 ? 2046 HOH A O 1 HETATM 2417 H H1 . HOH K 6 . ? 48.553 39.858 42.102 1.00 0.00 ? 2046 HOH A H1 1 HETATM 2418 H H2 . HOH K 6 . ? 49.728 40.723 41.700 1.00 0.00 ? 2046 HOH A H2 1 HETATM 2419 O O . HOH K 6 . ? 58.029 30.089 26.730 1.00 20.68 ? 2047 HOH A O 1 HETATM 2420 H H1 . HOH K 6 . ? 58.015 30.332 27.656 1.00 0.00 ? 2047 HOH A H1 1 HETATM 2421 H H2 . HOH K 6 . ? 57.674 30.852 26.275 1.00 0.00 ? 2047 HOH A H2 1 HETATM 2422 O O . HOH K 6 . ? 63.968 17.183 61.404 1.00 55.48 ? 2048 HOH A O 1 HETATM 2423 H H1 . HOH K 6 . ? 64.291 16.310 61.182 1.00 0.00 ? 2048 HOH A H1 1 HETATM 2424 H H2 . HOH K 6 . ? 64.745 17.664 61.688 1.00 0.00 ? 2048 HOH A H2 1 HETATM 2425 O O . HOH K 6 . ? 60.030 29.469 16.462 1.00 29.23 ? 2049 HOH A O 1 HETATM 2426 H H1 . HOH K 6 . ? 59.216 29.056 16.751 1.00 0.00 ? 2049 HOH A H1 1 HETATM 2427 H H2 . HOH K 6 . ? 60.564 28.744 16.138 1.00 0.00 ? 2049 HOH A H2 1 HETATM 2428 O O . HOH K 6 . ? 41.278 41.594 22.634 1.00 53.52 ? 2050 HOH A O 1 HETATM 2429 H H1 . HOH K 6 . ? 41.700 41.414 23.475 1.00 0.00 ? 2050 HOH A H1 1 HETATM 2430 H H2 . HOH K 6 . ? 41.838 41.158 21.990 1.00 0.00 ? 2050 HOH A H2 1 HETATM 2431 O O . HOH K 6 . ? 55.915 20.593 37.999 1.00 26.78 ? 2051 HOH A O 1 HETATM 2432 H H1 . HOH K 6 . ? 55.289 20.112 37.456 1.00 0.00 ? 2051 HOH A H1 1 HETATM 2433 H H2 . HOH K 6 . ? 56.011 21.437 37.557 1.00 0.00 ? 2051 HOH A H2 1 HETATM 2434 O O . HOH K 6 . ? 43.296 42.760 55.784 1.00 43.00 ? 2052 HOH A O 1 HETATM 2435 H H1 . HOH K 6 . ? 43.685 43.002 54.943 1.00 0.00 ? 2052 HOH A H1 1 HETATM 2436 H H2 . HOH K 6 . ? 43.007 41.856 55.663 1.00 0.00 ? 2052 HOH A H2 1 HETATM 2437 O O . HOH K 6 . ? 51.137 23.034 10.946 1.00 30.80 ? 2053 HOH A O 1 HETATM 2438 H H1 . HOH K 6 . ? 50.432 23.370 10.393 1.00 0.00 ? 2053 HOH A H1 1 HETATM 2439 H H2 . HOH K 6 . ? 50.896 23.296 11.834 1.00 0.00 ? 2053 HOH A H2 1 HETATM 2440 O O . HOH K 6 . ? 60.663 26.693 24.318 1.00 36.01 ? 2054 HOH A O 1 HETATM 2441 H H1 . HOH K 6 . ? 60.166 27.223 23.695 1.00 0.00 ? 2054 HOH A H1 1 HETATM 2442 H H2 . HOH K 6 . ? 61.506 27.141 24.395 1.00 0.00 ? 2054 HOH A H2 1 HETATM 2443 O O . HOH K 6 . ? 58.402 14.446 43.476 1.00 38.33 ? 2055 HOH A O 1 HETATM 2444 H H1 . HOH K 6 . ? 58.825 15.275 43.254 1.00 0.00 ? 2055 HOH A H1 1 HETATM 2445 H H2 . HOH K 6 . ? 57.512 14.692 43.732 1.00 0.00 ? 2055 HOH A H2 1 HETATM 2446 O O . HOH K 6 . ? 40.867 40.556 34.509 1.00 30.42 ? 2056 HOH A O 1 HETATM 2447 H H1 . HOH K 6 . ? 41.386 40.072 33.867 1.00 0.00 ? 2056 HOH A H1 1 HETATM 2448 H H2 . HOH K 6 . ? 40.527 39.883 35.101 1.00 0.00 ? 2056 HOH A H2 1 HETATM 2449 O O . HOH K 6 . ? 35.424 33.219 21.171 1.00 26.86 ? 2057 HOH A O 1 HETATM 2450 H H1 . HOH K 6 . ? 35.650 32.502 20.578 1.00 0.00 ? 2057 HOH A H1 1 HETATM 2451 H H2 . HOH K 6 . ? 34.971 32.793 21.899 1.00 0.00 ? 2057 HOH A H2 1 HETATM 2452 O O . HOH K 6 . ? 25.753 27.413 33.325 1.00 30.98 ? 2058 HOH A O 1 HETATM 2453 H H1 . HOH K 6 . ? 26.303 27.635 34.077 1.00 0.00 ? 2058 HOH A H1 1 HETATM 2454 H H2 . HOH K 6 . ? 26.366 27.354 32.592 1.00 0.00 ? 2058 HOH A H2 1 HETATM 2455 O O . HOH K 6 . ? 35.224 17.167 31.904 1.00 25.89 ? 2059 HOH A O 1 HETATM 2456 H H1 . HOH K 6 . ? 35.316 17.238 32.854 1.00 0.00 ? 2059 HOH A H1 1 HETATM 2457 H H2 . HOH K 6 . ? 35.349 18.061 31.584 1.00 0.00 ? 2059 HOH A H2 1 HETATM 2458 O O . HOH K 6 . ? 47.397 10.443 28.247 1.00 47.51 ? 2060 HOH A O 1 HETATM 2459 H H1 . HOH K 6 . ? 46.852 10.855 27.577 1.00 0.00 ? 2060 HOH A H1 1 HETATM 2460 H H2 . HOH K 6 . ? 47.765 11.175 28.742 1.00 0.00 ? 2060 HOH A H2 1 HETATM 2461 O O . HOH K 6 . ? 51.623 15.738 29.554 1.00 25.60 ? 2061 HOH A O 1 HETATM 2462 H H1 . HOH K 6 . ? 50.726 15.653 29.231 1.00 0.00 ? 2061 HOH A H1 1 HETATM 2463 H H2 . HOH K 6 . ? 52.171 15.624 28.777 1.00 0.00 ? 2061 HOH A H2 1 HETATM 2464 O O . HOH K 6 . ? 28.896 34.207 53.616 1.00 22.15 ? 2062 HOH A O 1 HETATM 2465 H H1 . HOH K 6 . ? 28.423 34.336 52.793 1.00 0.00 ? 2062 HOH A H1 1 HETATM 2466 H H2 . HOH K 6 . ? 28.392 33.541 54.082 1.00 0.00 ? 2062 HOH A H2 1 HETATM 2467 O O . HOH K 6 . ? 62.393 19.712 44.580 1.00 33.12 ? 2063 HOH A O 1 HETATM 2468 H H1 . HOH K 6 . ? 62.378 20.198 45.405 1.00 0.00 ? 2063 HOH A H1 1 HETATM 2469 H H2 . HOH K 6 . ? 61.607 20.003 44.118 1.00 0.00 ? 2063 HOH A H2 1 HETATM 2470 O O . HOH K 6 . ? 53.457 39.443 52.328 1.00 39.74 ? 2064 HOH A O 1 HETATM 2471 H H1 . HOH K 6 . ? 54.170 39.080 52.854 1.00 0.00 ? 2064 HOH A H1 1 HETATM 2472 H H2 . HOH K 6 . ? 53.620 39.107 51.446 1.00 0.00 ? 2064 HOH A H2 1 HETATM 2473 O O . HOH K 6 . ? 41.294 42.834 26.958 1.00 36.10 ? 2065 HOH A O 1 HETATM 2474 H H1 . HOH K 6 . ? 41.029 43.676 26.588 1.00 0.00 ? 2065 HOH A H1 1 HETATM 2475 H H2 . HOH K 6 . ? 42.249 42.885 27.005 1.00 0.00 ? 2065 HOH A H2 1 HETATM 2476 O O . HOH K 6 . ? 27.212 32.118 35.535 1.00 31.10 ? 2066 HOH A O 1 HETATM 2477 H H1 . HOH K 6 . ? 27.734 31.610 36.156 1.00 0.00 ? 2066 HOH A H1 1 HETATM 2478 H H2 . HOH K 6 . ? 27.832 32.371 34.851 1.00 0.00 ? 2066 HOH A H2 1 HETATM 2479 O O . HOH K 6 . ? 39.565 38.804 37.402 1.00 28.88 ? 2067 HOH A O 1 HETATM 2480 H H1 . HOH K 6 . ? 40.225 38.675 38.083 1.00 0.00 ? 2067 HOH A H1 1 HETATM 2481 H H2 . HOH K 6 . ? 39.721 38.090 36.782 1.00 0.00 ? 2067 HOH A H2 1 HETATM 2482 O O . HOH K 6 . ? 32.246 16.739 33.435 1.00 48.60 ? 2068 HOH A O 1 HETATM 2483 H H1 . HOH K 6 . ? 32.227 17.409 32.751 1.00 0.00 ? 2068 HOH A H1 1 HETATM 2484 H H2 . HOH K 6 . ? 32.546 17.204 34.216 1.00 0.00 ? 2068 HOH A H2 1 HETATM 2485 O O . HOH K 6 . ? 63.168 18.954 19.356 1.00 35.66 ? 2069 HOH A O 1 HETATM 2486 H H1 . HOH K 6 . ? 62.651 18.548 20.052 1.00 0.00 ? 2069 HOH A H1 1 HETATM 2487 H H2 . HOH K 6 . ? 62.931 19.881 19.392 1.00 0.00 ? 2069 HOH A H2 1 HETATM 2488 O O . HOH K 6 . ? 61.451 27.052 26.930 1.00 34.06 ? 2070 HOH A O 1 HETATM 2489 H H1 . HOH K 6 . ? 61.039 26.286 27.330 1.00 0.00 ? 2070 HOH A H1 1 HETATM 2490 H H2 . HOH K 6 . ? 61.077 27.797 27.400 1.00 0.00 ? 2070 HOH A H2 1 HETATM 2491 O O . HOH K 6 . ? 27.563 33.023 38.067 1.00 34.73 ? 2071 HOH A O 1 HETATM 2492 H H1 . HOH K 6 . ? 28.059 32.753 38.840 1.00 0.00 ? 2071 HOH A H1 1 HETATM 2493 H H2 . HOH K 6 . ? 27.867 32.442 37.370 1.00 0.00 ? 2071 HOH A H2 1 HETATM 2494 O O . HOH K 6 . ? 53.309 19.307 12.113 1.00 36.08 ? 2072 HOH A O 1 HETATM 2495 H H1 . HOH K 6 . ? 54.229 19.531 12.257 1.00 0.00 ? 2072 HOH A H1 1 HETATM 2496 H H2 . HOH K 6 . ? 52.911 19.368 12.982 1.00 0.00 ? 2072 HOH A H2 1 HETATM 2497 O O . HOH K 6 . ? 42.355 17.056 52.722 1.00 27.81 ? 2073 HOH A O 1 HETATM 2498 H H1 . HOH K 6 . ? 43.105 16.690 52.253 1.00 0.00 ? 2073 HOH A H1 1 HETATM 2499 H H2 . HOH K 6 . ? 42.603 17.963 52.902 1.00 0.00 ? 2073 HOH A H2 1 HETATM 2500 O O . HOH K 6 . ? 58.953 22.931 58.793 1.00 33.86 ? 2074 HOH A O 1 HETATM 2501 H H1 . HOH K 6 . ? 58.463 23.059 57.980 1.00 0.00 ? 2074 HOH A H1 1 HETATM 2502 H H2 . HOH K 6 . ? 59.424 23.754 58.921 1.00 0.00 ? 2074 HOH A H2 1 HETATM 2503 O O . HOH K 6 . ? 63.652 17.816 28.487 1.00 48.00 ? 2075 HOH A O 1 HETATM 2504 H H1 . HOH K 6 . ? 64.405 17.553 27.957 1.00 0.00 ? 2075 HOH A H1 1 HETATM 2505 H H2 . HOH K 6 . ? 62.946 17.947 27.854 1.00 0.00 ? 2075 HOH A H2 1 HETATM 2506 O O . HOH K 6 . ? 69.480 12.909 56.803 1.00 32.93 ? 2076 HOH A O 1 HETATM 2507 H H1 . HOH K 6 . ? 68.716 12.668 57.325 1.00 0.00 ? 2076 HOH A H1 1 HETATM 2508 H H2 . HOH K 6 . ? 69.186 13.660 56.287 1.00 0.00 ? 2076 HOH A H2 1 HETATM 2509 O O . HOH K 6 . ? 45.186 40.806 31.694 1.00 24.91 ? 2077 HOH A O 1 HETATM 2510 H H1 . HOH K 6 . ? 45.444 39.921 31.955 1.00 0.00 ? 2077 HOH A H1 1 HETATM 2511 H H2 . HOH K 6 . ? 45.741 41.004 30.940 1.00 0.00 ? 2077 HOH A H2 1 HETATM 2512 O O . HOH K 6 . ? 48.749 18.524 55.484 1.00 22.01 ? 2078 HOH A O 1 HETATM 2513 H H1 . HOH K 6 . ? 47.820 18.504 55.257 1.00 0.00 ? 2078 HOH A H1 1 HETATM 2514 H H2 . HOH K 6 . ? 49.134 19.135 54.855 1.00 0.00 ? 2078 HOH A H2 1 HETATM 2515 O O . HOH K 6 . ? 54.668 7.957 13.402 1.00 20.25 ? 2079 HOH A O 1 HETATM 2516 H H1 . HOH K 6 . ? 55.527 8.183 13.755 1.00 0.00 ? 2079 HOH A H1 1 HETATM 2517 H H2 . HOH K 6 . ? 54.662 7.000 13.381 1.00 0.00 ? 2079 HOH A H2 1 HETATM 2518 O O . HOH K 6 . ? 61.584 19.720 26.653 1.00 19.03 ? 2080 HOH A O 1 HETATM 2519 H H1 . HOH K 6 . ? 60.687 19.544 26.370 1.00 0.00 ? 2080 HOH A H1 1 HETATM 2520 H H2 . HOH K 6 . ? 62.070 18.934 26.404 1.00 0.00 ? 2080 HOH A H2 1 HETATM 2521 O O . HOH K 6 . ? 44.401 39.350 40.311 1.00 21.80 ? 2081 HOH A O 1 HETATM 2522 H H1 . HOH K 6 . ? 44.652 39.104 39.420 1.00 0.00 ? 2081 HOH A H1 1 HETATM 2523 H H2 . HOH K 6 . ? 44.340 38.518 40.781 1.00 0.00 ? 2081 HOH A H2 1 HETATM 2524 O O . HOH K 6 . ? 63.035 27.250 31.444 1.00 22.21 ? 2082 HOH A O 1 HETATM 2525 H H1 . HOH K 6 . ? 62.794 26.337 31.289 1.00 0.00 ? 2082 HOH A H1 1 HETATM 2526 H H2 . HOH K 6 . ? 62.351 27.756 31.005 1.00 0.00 ? 2082 HOH A H2 1 HETATM 2527 O O . HOH K 6 . ? 33.859 37.911 55.860 1.00 29.70 ? 2083 HOH A O 1 HETATM 2528 H H1 . HOH K 6 . ? 34.155 37.402 55.106 1.00 0.00 ? 2083 HOH A H1 1 HETATM 2529 H H2 . HOH K 6 . ? 33.696 37.259 56.542 1.00 0.00 ? 2083 HOH A H2 1 HETATM 2530 O O . HOH K 6 . ? 50.685 18.999 15.516 1.00 23.21 ? 2084 HOH A O 1 HETATM 2531 H H1 . HOH K 6 . ? 51.136 19.461 16.223 1.00 0.00 ? 2084 HOH A H1 1 HETATM 2532 H H2 . HOH K 6 . ? 51.284 19.060 14.772 1.00 0.00 ? 2084 HOH A H2 1 HETATM 2533 O O . HOH K 6 . ? 49.145 34.499 20.144 1.00 24.00 ? 2085 HOH A O 1 HETATM 2534 H H1 . HOH K 6 . ? 49.075 35.096 20.889 1.00 0.00 ? 2085 HOH A H1 1 HETATM 2535 H H2 . HOH K 6 . ? 49.759 33.824 20.436 1.00 0.00 ? 2085 HOH A H2 1 HETATM 2536 O O . HOH K 6 . ? 29.387 23.895 48.908 1.00 30.60 ? 2086 HOH A O 1 HETATM 2537 H H1 . HOH K 6 . ? 29.170 24.569 48.264 1.00 0.00 ? 2086 HOH A H1 1 HETATM 2538 H H2 . HOH K 6 . ? 30.336 23.955 49.012 1.00 0.00 ? 2086 HOH A H2 1 HETATM 2539 O O . HOH K 6 . ? 36.283 21.472 48.588 1.00 27.10 ? 2087 HOH A O 1 HETATM 2540 H H1 . HOH K 6 . ? 36.492 21.558 47.658 1.00 0.00 ? 2087 HOH A H1 1 HETATM 2541 H H2 . HOH K 6 . ? 36.306 22.369 48.921 1.00 0.00 ? 2087 HOH A H2 1 HETATM 2542 O O . HOH K 6 . ? 56.353 37.048 34.773 1.00 25.93 ? 2088 HOH A O 1 HETATM 2543 H H1 . HOH K 6 . ? 55.512 37.167 35.216 1.00 0.00 ? 2088 HOH A H1 1 HETATM 2544 H H2 . HOH K 6 . ? 56.162 36.430 34.067 1.00 0.00 ? 2088 HOH A H2 1 HETATM 2545 O O . HOH K 6 . ? 57.605 26.936 38.556 1.00 27.07 ? 2089 HOH A O 1 HETATM 2546 H H1 . HOH K 6 . ? 56.792 26.578 38.199 1.00 0.00 ? 2089 HOH A H1 1 HETATM 2547 H H2 . HOH K 6 . ? 57.606 26.655 39.472 1.00 0.00 ? 2089 HOH A H2 1 HETATM 2548 O O . HOH K 6 . ? 33.292 34.914 20.939 1.00 31.46 ? 2090 HOH A O 1 HETATM 2549 H H1 . HOH K 6 . ? 33.247 34.343 20.172 1.00 0.00 ? 2090 HOH A H1 1 HETATM 2550 H H2 . HOH K 6 . ? 33.476 34.321 21.668 1.00 0.00 ? 2090 HOH A H2 1 HETATM 2551 O O . HOH K 6 . ? 43.432 44.765 44.995 1.00 34.59 ? 2091 HOH A O 1 HETATM 2552 H H1 . HOH K 6 . ? 43.626 43.828 44.976 1.00 0.00 ? 2091 HOH A H1 1 HETATM 2553 H H2 . HOH K 6 . ? 43.922 45.095 45.749 1.00 0.00 ? 2091 HOH A H2 1 HETATM 2554 O O . HOH K 6 . ? 58.878 24.395 33.442 1.00 26.29 ? 2092 HOH A O 1 HETATM 2555 H H1 . HOH K 6 . ? 58.007 24.759 33.280 1.00 0.00 ? 2092 HOH A H1 1 HETATM 2556 H H2 . HOH K 6 . ? 59.092 23.926 32.635 1.00 0.00 ? 2092 HOH A H2 1 HETATM 2557 O O . HOH K 6 . ? 60.988 22.911 38.699 1.00 28.35 ? 2093 HOH A O 1 HETATM 2558 H H1 . HOH K 6 . ? 61.240 22.851 39.620 1.00 0.00 ? 2093 HOH A H1 1 HETATM 2559 H H2 . HOH K 6 . ? 60.209 23.467 38.700 1.00 0.00 ? 2093 HOH A H2 1 HETATM 2560 O O . HOH K 6 . ? 36.080 16.873 40.139 1.00 27.10 ? 2094 HOH A O 1 HETATM 2561 H H1 . HOH K 6 . ? 36.583 16.897 39.325 1.00 0.00 ? 2094 HOH A H1 1 HETATM 2562 H H2 . HOH K 6 . ? 35.750 17.765 40.245 1.00 0.00 ? 2094 HOH A H2 1 HETATM 2563 O O . HOH K 6 . ? 43.128 32.741 53.761 1.00 26.02 ? 2095 HOH A O 1 HETATM 2564 H H1 . HOH K 6 . ? 42.346 32.191 53.744 1.00 0.00 ? 2095 HOH A H1 1 HETATM 2565 H H2 . HOH K 6 . ? 43.844 32.150 53.525 1.00 0.00 ? 2095 HOH A H2 1 HETATM 2566 O O . HOH K 6 . ? 53.258 38.917 46.142 1.00 29.47 ? 2096 HOH A O 1 HETATM 2567 H H1 . HOH K 6 . ? 53.222 38.056 46.559 1.00 0.00 ? 2096 HOH A H1 1 HETATM 2568 H H2 . HOH K 6 . ? 52.353 39.093 45.882 1.00 0.00 ? 2096 HOH A H2 1 HETATM 2569 O O . HOH K 6 . ? 44.493 42.678 43.318 1.00 30.23 ? 2097 HOH A O 1 HETATM 2570 H H1 . HOH K 6 . ? 44.081 43.006 44.117 1.00 0.00 ? 2097 HOH A H1 1 HETATM 2571 H H2 . HOH K 6 . ? 45.345 42.349 43.605 1.00 0.00 ? 2097 HOH A H2 1 HETATM 2572 O O . HOH K 6 . ? 54.169 14.881 27.284 1.00 27.45 ? 2098 HOH A O 1 HETATM 2573 H H1 . HOH K 6 . ? 53.826 15.641 26.813 1.00 0.00 ? 2098 HOH A H1 1 HETATM 2574 H H2 . HOH K 6 . ? 55.083 14.821 27.006 1.00 0.00 ? 2098 HOH A H2 1 HETATM 2575 O O . HOH K 6 . ? 59.967 30.781 19.013 1.00 27.92 ? 2099 HOH A O 1 HETATM 2576 H H1 . HOH K 6 . ? 59.087 31.071 18.770 1.00 0.00 ? 2099 HOH A H1 1 HETATM 2577 H H2 . HOH K 6 . ? 59.826 30.162 19.730 1.00 0.00 ? 2099 HOH A H2 1 HETATM 2578 O O . HOH K 6 . ? 57.896 24.060 38.236 1.00 32.53 ? 2100 HOH A O 1 HETATM 2579 H H1 . HOH K 6 . ? 57.743 24.085 39.181 1.00 0.00 ? 2100 HOH A H1 1 HETATM 2580 H H2 . HOH K 6 . ? 57.251 24.667 37.873 1.00 0.00 ? 2100 HOH A H2 1 HETATM 2581 O O . HOH K 6 . ? 52.719 37.263 16.922 1.00 36.82 ? 2101 HOH A O 1 HETATM 2582 H H1 . HOH K 6 . ? 52.019 37.047 17.537 1.00 0.00 ? 2101 HOH A H1 1 HETATM 2583 H H2 . HOH K 6 . ? 52.364 37.031 16.064 1.00 0.00 ? 2101 HOH A H2 1 HETATM 2584 O O . HOH K 6 . ? 58.320 29.061 40.870 1.00 30.58 ? 2102 HOH A O 1 HETATM 2585 H H1 . HOH K 6 . ? 57.898 29.491 41.615 1.00 0.00 ? 2102 HOH A H1 1 HETATM 2586 H H2 . HOH K 6 . ? 57.994 28.161 40.900 1.00 0.00 ? 2102 HOH A H2 1 HETATM 2587 O O . HOH K 6 . ? 48.374 19.826 19.861 1.00 33.14 ? 2103 HOH A O 1 HETATM 2588 H H1 . HOH K 6 . ? 47.895 20.153 20.622 1.00 0.00 ? 2103 HOH A H1 1 HETATM 2589 H H2 . HOH K 6 . ? 49.239 19.598 20.203 1.00 0.00 ? 2103 HOH A H2 1 HETATM 2590 O O . HOH K 6 . ? 38.460 15.603 41.777 1.00 29.35 ? 2104 HOH A O 1 HETATM 2591 H H1 . HOH K 6 . ? 38.831 15.429 42.643 1.00 0.00 ? 2104 HOH A H1 1 HETATM 2592 H H2 . HOH K 6 . ? 39.095 16.184 41.359 1.00 0.00 ? 2104 HOH A H2 1 HETATM 2593 O O . HOH K 6 . ? 51.726 20.185 55.736 1.00 22.54 ? 2105 HOH A O 1 HETATM 2594 H H1 . HOH K 6 . ? 51.818 21.096 55.457 1.00 0.00 ? 2105 HOH A H1 1 HETATM 2595 H H2 . HOH K 6 . ? 52.455 19.731 55.313 1.00 0.00 ? 2105 HOH A H2 1 HETATM 2596 O O . HOH K 6 . ? 50.768 13.276 25.619 1.00 28.65 ? 2106 HOH A O 1 HETATM 2597 H H1 . HOH K 6 . ? 50.489 13.608 24.766 1.00 0.00 ? 2106 HOH A H1 1 HETATM 2598 H H2 . HOH K 6 . ? 51.011 14.058 26.114 1.00 0.00 ? 2106 HOH A H2 1 HETATM 2599 O O . HOH K 6 . ? 30.389 36.418 51.943 1.00 47.91 ? 2107 HOH A O 1 HETATM 2600 H H1 . HOH K 6 . ? 30.162 35.633 51.444 1.00 0.00 ? 2107 HOH A H1 1 HETATM 2601 H H2 . HOH K 6 . ? 31.345 36.412 51.976 1.00 0.00 ? 2107 HOH A H2 1 HETATM 2602 O O . HOH K 6 . ? 51.814 22.189 57.588 1.00 30.31 ? 2108 HOH A O 1 HETATM 2603 H H1 . HOH K 6 . ? 51.876 23.145 57.583 1.00 0.00 ? 2108 HOH A H1 1 HETATM 2604 H H2 . HOH K 6 . ? 52.341 21.912 56.838 1.00 0.00 ? 2108 HOH A H2 1 HETATM 2605 O O . HOH K 6 . ? 50.562 18.740 12.629 1.00 63.69 ? 2109 HOH A O 1 HETATM 2606 H H1 . HOH K 6 . ? 51.282 19.372 12.642 1.00 0.00 ? 2109 HOH A H1 1 HETATM 2607 H H2 . HOH K 6 . ? 50.458 18.480 13.544 1.00 0.00 ? 2109 HOH A H2 1 HETATM 2608 O O . HOH K 6 . ? 28.676 26.374 53.176 1.00 16.09 ? 2110 HOH A O 1 HETATM 2609 H H1 . HOH K 6 . ? 28.475 27.198 53.619 1.00 0.00 ? 2110 HOH A H1 1 HETATM 2610 H H2 . HOH K 6 . ? 28.100 25.732 53.592 1.00 0.00 ? 2110 HOH A H2 1 HETATM 2611 O O . HOH K 6 . ? 46.488 16.069 19.145 1.00 40.25 ? 2111 HOH A O 1 HETATM 2612 H H1 . HOH K 6 . ? 46.198 16.790 19.703 1.00 0.00 ? 2111 HOH A H1 1 HETATM 2613 H H2 . HOH K 6 . ? 47.022 15.521 19.720 1.00 0.00 ? 2111 HOH A H2 1 HETATM 2614 O O . HOH K 6 . ? 63.574 36.193 54.307 1.00 34.30 ? 2112 HOH A O 1 HETATM 2615 H H1 . HOH K 6 . ? 62.818 35.640 54.109 1.00 0.00 ? 2112 HOH A H1 1 HETATM 2616 H H2 . HOH K 6 . ? 64.155 36.084 53.555 1.00 0.00 ? 2112 HOH A H2 1 HETATM 2617 O O . HOH K 6 . ? 39.764 14.882 39.297 1.00 45.87 ? 2113 HOH A O 1 HETATM 2618 H H1 . HOH K 6 . ? 40.574 14.760 39.793 1.00 0.00 ? 2113 HOH A H1 1 HETATM 2619 H H2 . HOH K 6 . ? 39.456 15.751 39.552 1.00 0.00 ? 2113 HOH A H2 1 HETATM 2620 O O . HOH K 6 . ? 31.359 20.324 43.572 1.00 28.05 ? 2114 HOH A O 1 HETATM 2621 H H1 . HOH K 6 . ? 31.240 20.085 42.653 1.00 0.00 ? 2114 HOH A H1 1 HETATM 2622 H H2 . HOH K 6 . ? 31.687 21.223 43.545 1.00 0.00 ? 2114 HOH A H2 1 HETATM 2623 O O . HOH K 6 . ? 41.138 14.760 35.622 1.00 32.74 ? 2115 HOH A O 1 HETATM 2624 H H1 . HOH K 6 . ? 40.437 15.359 35.880 1.00 0.00 ? 2115 HOH A H1 1 HETATM 2625 H H2 . HOH K 6 . ? 41.901 15.326 35.502 1.00 0.00 ? 2115 HOH A H2 1 HETATM 2626 O O . HOH K 6 . ? 48.587 9.446 45.296 1.00 45.78 ? 2116 HOH A O 1 HETATM 2627 H H1 . HOH K 6 . ? 48.090 10.239 45.095 1.00 0.00 ? 2116 HOH A H1 1 HETATM 2628 H H2 . HOH K 6 . ? 49.415 9.767 45.654 1.00 0.00 ? 2116 HOH A H2 1 HETATM 2629 O O . HOH K 6 . ? 49.822 26.388 39.191 1.00 8.60 ? 2117 HOH A O 1 HETATM 2630 H H1 . HOH K 6 . ? 49.784 26.891 40.007 1.00 0.00 ? 2117 HOH A H1 1 HETATM 2631 H H2 . HOH K 6 . ? 49.165 25.703 39.303 1.00 0.00 ? 2117 HOH A H2 1 HETATM 2632 O O . HOH K 6 . ? 47.628 24.151 37.703 1.00 10.37 ? 2118 HOH A O 1 HETATM 2633 H H1 . HOH K 6 . ? 47.678 24.765 38.436 1.00 0.00 ? 2118 HOH A H1 1 HETATM 2634 H H2 . HOH K 6 . ? 47.837 23.299 38.087 1.00 0.00 ? 2118 HOH A H2 1 HETATM 2635 O O . HOH K 6 . ? 41.684 25.515 19.939 1.00 13.77 ? 2119 HOH A O 1 HETATM 2636 H H1 . HOH K 6 . ? 42.012 25.036 19.177 1.00 0.00 ? 2119 HOH A H1 1 HETATM 2637 H H2 . HOH K 6 . ? 40.767 25.695 19.731 1.00 0.00 ? 2119 HOH A H2 1 HETATM 2638 O O . HOH K 6 . ? 46.742 35.850 49.835 1.00 17.82 ? 2120 HOH A O 1 HETATM 2639 H H1 . HOH K 6 . ? 46.757 36.096 48.910 1.00 0.00 ? 2120 HOH A H1 1 HETATM 2640 H H2 . HOH K 6 . ? 47.183 35.001 49.864 1.00 0.00 ? 2120 HOH A H2 1 HETATM 2641 O O . HOH K 6 . ? 50.459 19.352 44.614 1.00 16.67 ? 2121 HOH A O 1 HETATM 2642 H H1 . HOH K 6 . ? 49.530 19.304 44.385 1.00 0.00 ? 2121 HOH A H1 1 HETATM 2643 H H2 . HOH K 6 . ? 50.863 18.635 44.123 1.00 0.00 ? 2121 HOH A H2 1 HETATM 2644 O O . HOH K 6 . ? 48.047 30.042 33.233 1.00 15.38 ? 2122 HOH A O 1 HETATM 2645 H H1 . HOH K 6 . ? 48.332 30.794 32.712 1.00 0.00 ? 2122 HOH A H1 1 HETATM 2646 H H2 . HOH K 6 . ? 48.693 29.361 33.043 1.00 0.00 ? 2122 HOH A H2 1 HETATM 2647 O O . HOH K 6 . ? 51.031 21.031 19.930 1.00 15.42 ? 2123 HOH A O 1 HETATM 2648 H H1 . HOH K 6 . ? 51.018 20.917 20.881 1.00 0.00 ? 2123 HOH A H1 1 HETATM 2649 H H2 . HOH K 6 . ? 51.947 21.223 19.726 1.00 0.00 ? 2123 HOH A H2 1 HETATM 2650 O O . HOH K 6 . ? 36.898 21.403 45.077 1.00 17.63 ? 2124 HOH A O 1 HETATM 2651 H H1 . HOH K 6 . ? 36.540 22.107 44.536 1.00 0.00 ? 2124 HOH A H1 1 HETATM 2652 H H2 . HOH K 6 . ? 37.426 21.853 45.737 1.00 0.00 ? 2124 HOH A H2 1 HETATM 2653 O O . HOH K 6 . ? 33.377 27.157 20.385 1.00 19.57 ? 2125 HOH A O 1 HETATM 2654 H H1 . HOH K 6 . ? 33.706 26.304 20.101 1.00 0.00 ? 2125 HOH A H1 1 HETATM 2655 H H2 . HOH K 6 . ? 34.114 27.754 20.253 1.00 0.00 ? 2125 HOH A H2 1 HETATM 2656 O O . HOH K 6 . ? 47.587 38.593 50.721 1.00 21.50 ? 2126 HOH A O 1 HETATM 2657 H H1 . HOH K 6 . ? 48.193 38.575 49.980 1.00 0.00 ? 2126 HOH A H1 1 HETATM 2658 H H2 . HOH K 6 . ? 47.504 39.521 50.940 1.00 0.00 ? 2126 HOH A H2 1 HETATM 2659 O O . HOH K 6 . ? 53.886 24.884 43.576 1.00 17.49 ? 2127 HOH A O 1 HETATM 2660 H H1 . HOH K 6 . ? 53.651 25.643 43.041 1.00 0.00 ? 2127 HOH A H1 1 HETATM 2661 H H2 . HOH K 6 . ? 54.769 24.652 43.289 1.00 0.00 ? 2127 HOH A H2 1 HETATM 2662 O O . HOH K 6 . ? 53.407 14.757 19.429 1.00 23.38 ? 2128 HOH A O 1 HETATM 2663 H H1 . HOH K 6 . ? 54.291 15.007 19.698 1.00 0.00 ? 2128 HOH A H1 1 HETATM 2664 H H2 . HOH K 6 . ? 53.093 15.503 18.919 1.00 0.00 ? 2128 HOH A H2 1 HETATM 2665 O O . HOH K 6 . ? 30.587 23.067 45.388 1.00 21.41 ? 2129 HOH A O 1 HETATM 2666 H H1 . HOH K 6 . ? 31.164 22.793 44.675 1.00 0.00 ? 2129 HOH A H1 1 HETATM 2667 H H2 . HOH K 6 . ? 30.827 23.979 45.552 1.00 0.00 ? 2129 HOH A H2 1 HETATM 2668 O O . HOH K 6 . ? 61.051 22.523 49.415 1.00 20.77 ? 2130 HOH A O 1 HETATM 2669 H H1 . HOH K 6 . ? 61.414 23.395 49.252 1.00 0.00 ? 2130 HOH A H1 1 HETATM 2670 H H2 . HOH K 6 . ? 60.115 22.619 49.237 1.00 0.00 ? 2130 HOH A H2 1 HETATM 2671 O O . HOH K 6 . ? 35.550 35.624 32.484 1.00 25.92 ? 2131 HOH A O 1 HETATM 2672 H H1 . HOH K 6 . ? 36.419 36.022 32.419 1.00 0.00 ? 2131 HOH A H1 1 HETATM 2673 H H2 . HOH K 6 . ? 35.666 34.892 33.089 1.00 0.00 ? 2131 HOH A H2 1 HETATM 2674 O O . HOH K 6 . ? 35.199 16.827 20.575 1.00 20.48 ? 2132 HOH A O 1 HETATM 2675 H H1 . HOH K 6 . ? 34.779 17.676 20.438 1.00 0.00 ? 2132 HOH A H1 1 HETATM 2676 H H2 . HOH K 6 . ? 35.763 16.961 21.338 1.00 0.00 ? 2132 HOH A H2 1 HETATM 2677 O O . HOH K 6 . ? 59.146 32.532 25.687 1.00 19.33 ? 2133 HOH A O 1 HETATM 2678 H H1 . HOH K 6 . ? 58.557 31.830 25.410 1.00 0.00 ? 2133 HOH A H1 1 HETATM 2679 H H2 . HOH K 6 . ? 58.844 33.301 25.202 1.00 0.00 ? 2133 HOH A H2 1 HETATM 2680 O O . HOH K 6 . ? 51.855 29.635 60.991 1.00 23.38 ? 2134 HOH A O 1 HETATM 2681 H H1 . HOH K 6 . ? 52.790 29.826 60.916 1.00 0.00 ? 2134 HOH A H1 1 HETATM 2682 H H2 . HOH K 6 . ? 51.738 29.367 61.903 1.00 0.00 ? 2134 HOH A H2 1 HETATM 2683 O O . HOH K 6 . ? 28.509 22.122 31.901 1.00 21.68 ? 2135 HOH A O 1 HETATM 2684 H H1 . HOH K 6 . ? 29.372 22.394 31.590 1.00 0.00 ? 2135 HOH A H1 1 HETATM 2685 H H2 . HOH K 6 . ? 27.896 22.565 31.315 1.00 0.00 ? 2135 HOH A H2 1 HETATM 2686 O O . HOH K 6 . ? 44.725 25.217 23.231 1.00 11.66 ? 2136 HOH A O 1 HETATM 2687 H H1 . HOH K 6 . ? 45.575 25.357 23.647 1.00 0.00 ? 2136 HOH A H1 1 HETATM 2688 H H2 . HOH K 6 . ? 44.386 24.421 23.642 1.00 0.00 ? 2136 HOH A H2 1 HETATM 2689 O O . HOH K 6 . ? 50.466 39.299 36.662 1.00 36.64 ? 2137 HOH A O 1 HETATM 2690 H H1 . HOH K 6 . ? 50.853 38.523 37.067 1.00 0.00 ? 2137 HOH A H1 1 HETATM 2691 H H2 . HOH K 6 . ? 50.283 39.036 35.760 1.00 0.00 ? 2137 HOH A H2 1 HETATM 2692 O O . HOH K 6 . ? 62.198 26.825 42.087 1.00 32.62 ? 2138 HOH A O 1 HETATM 2693 H H1 . HOH K 6 . ? 61.669 26.043 42.251 1.00 0.00 ? 2138 HOH A H1 1 HETATM 2694 H H2 . HOH K 6 . ? 62.806 26.858 42.825 1.00 0.00 ? 2138 HOH A H2 1 HETATM 2695 O O . HOH K 6 . ? 52.820 32.168 60.626 1.00 35.62 ? 2139 HOH A O 1 HETATM 2696 H H1 . HOH K 6 . ? 52.160 31.724 61.159 1.00 0.00 ? 2139 HOH A H1 1 HETATM 2697 H H2 . HOH K 6 . ? 52.843 31.668 59.810 1.00 0.00 ? 2139 HOH A H2 1 HETATM 2698 O O . HOH K 6 . ? 49.611 12.708 22.920 1.00 44.22 ? 2140 HOH A O 1 HETATM 2699 H H1 . HOH K 6 . ? 50.218 12.940 23.623 1.00 0.00 ? 2140 HOH A H1 1 HETATM 2700 H H2 . HOH K 6 . ? 48.831 13.235 23.094 1.00 0.00 ? 2140 HOH A H2 1 HETATM 2701 O O . HOH K 6 . ? 24.850 18.545 39.862 1.00 37.55 ? 2141 HOH A O 1 HETATM 2702 H H1 . HOH K 6 . ? 24.485 17.669 39.990 1.00 0.00 ? 2141 HOH A H1 1 HETATM 2703 H H2 . HOH K 6 . ? 25.743 18.486 40.201 1.00 0.00 ? 2141 HOH A H2 1 HETATM 2704 O O . HOH K 6 . ? 32.356 41.343 47.157 1.00 57.60 ? 2142 HOH A O 1 HETATM 2705 H H1 . HOH K 6 . ? 33.200 41.744 47.368 1.00 0.00 ? 2142 HOH A H1 1 HETATM 2706 H H2 . HOH K 6 . ? 32.537 40.403 47.140 1.00 0.00 ? 2142 HOH A H2 1 HETATM 2707 O O . HOH K 6 . ? 32.305 17.587 40.447 1.00 48.45 ? 2143 HOH A O 1 HETATM 2708 H H1 . HOH K 6 . ? 31.740 18.342 40.609 1.00 0.00 ? 2143 HOH A H1 1 HETATM 2709 H H2 . HOH K 6 . ? 32.734 17.780 39.614 1.00 0.00 ? 2143 HOH A H2 1 HETATM 2710 O O . HOH K 6 . ? 64.669 32.365 58.008 1.00 30.69 ? 2144 HOH A O 1 HETATM 2711 H H1 . HOH K 6 . ? 64.961 33.134 58.499 1.00 0.00 ? 2144 HOH A H1 1 HETATM 2712 H H2 . HOH K 6 . ? 63.998 32.703 57.413 1.00 0.00 ? 2144 HOH A H2 1 HETATM 2713 O O . HOH K 6 . ? 48.827 33.252 17.692 1.00 69.12 ? 2145 HOH A O 1 HETATM 2714 H H1 . HOH K 6 . ? 49.308 33.946 18.144 1.00 0.00 ? 2145 HOH A H1 1 HETATM 2715 H H2 . HOH K 6 . ? 49.326 32.456 17.875 1.00 0.00 ? 2145 HOH A H2 1 HETATM 2716 O O . HOH K 6 . ? 59.334 37.011 56.566 1.00 61.41 ? 2146 HOH A O 1 HETATM 2717 H H1 . HOH K 6 . ? 59.950 36.370 56.922 1.00 0.00 ? 2146 HOH A H1 1 HETATM 2718 H H2 . HOH K 6 . ? 58.809 36.516 55.936 1.00 0.00 ? 2146 HOH A H2 1 HETATM 2719 O O . HOH K 6 . ? 36.694 14.929 35.701 1.00 57.71 ? 2147 HOH A O 1 HETATM 2720 H H1 . HOH K 6 . ? 37.474 15.398 35.999 1.00 0.00 ? 2147 HOH A H1 1 HETATM 2721 H H2 . HOH K 6 . ? 36.139 15.609 35.318 1.00 0.00 ? 2147 HOH A H2 1 HETATM 2722 O O . HOH K 6 . ? 39.313 36.002 22.032 1.00 56.76 ? 2148 HOH A O 1 HETATM 2723 H H1 . HOH K 6 . ? 40.233 35.893 21.792 1.00 0.00 ? 2148 HOH A H1 1 HETATM 2724 H H2 . HOH K 6 . ? 39.244 35.614 22.904 1.00 0.00 ? 2148 HOH A H2 1 HETATM 2725 O O . HOH K 6 . ? 59.543 40.885 49.246 1.00 49.72 ? 2149 HOH A O 1 HETATM 2726 H H1 . HOH K 6 . ? 59.734 39.957 49.109 1.00 0.00 ? 2149 HOH A H1 1 HETATM 2727 H H2 . HOH K 6 . ? 58.895 40.894 49.951 1.00 0.00 ? 2149 HOH A H2 1 HETATM 2728 O O . HOH K 6 . ? 57.868 12.428 27.210 1.00 46.96 ? 2150 HOH A O 1 HETATM 2729 H H1 . HOH K 6 . ? 57.124 12.977 27.457 1.00 0.00 ? 2150 HOH A H1 1 HETATM 2730 H H2 . HOH K 6 . ? 58.421 13.003 26.680 1.00 0.00 ? 2150 HOH A H2 1 HETATM 2731 O O . HOH K 6 . ? 55.775 14.284 42.111 1.00 40.21 ? 2151 HOH A O 1 HETATM 2732 H H1 . HOH K 6 . ? 56.258 14.709 42.819 1.00 0.00 ? 2151 HOH A H1 1 HETATM 2733 H H2 . HOH K 6 . ? 54.930 14.734 42.091 1.00 0.00 ? 2151 HOH A H2 1 HETATM 2734 O O . HOH K 6 . ? 60.840 39.136 52.856 1.00 48.37 ? 2152 HOH A O 1 HETATM 2735 H H1 . HOH K 6 . ? 60.151 39.006 53.507 1.00 0.00 ? 2152 HOH A H1 1 HETATM 2736 H H2 . HOH K 6 . ? 60.551 38.627 52.098 1.00 0.00 ? 2152 HOH A H2 1 HETATM 2737 O O . HOH K 6 . ? 50.612 15.380 17.972 1.00 49.78 ? 2153 HOH A O 1 HETATM 2738 H H1 . HOH K 6 . ? 51.506 15.445 17.638 1.00 0.00 ? 2153 HOH A H1 1 HETATM 2739 H H2 . HOH K 6 . ? 50.655 15.767 18.847 1.00 0.00 ? 2153 HOH A H2 1 HETATM 2740 O O . HOH K 6 . ? 30.013 35.824 49.336 1.00 33.04 ? 2154 HOH A O 1 HETATM 2741 H H1 . HOH K 6 . ? 30.141 35.289 50.121 1.00 0.00 ? 2154 HOH A H1 1 HETATM 2742 H H2 . HOH K 6 . ? 30.519 35.375 48.659 1.00 0.00 ? 2154 HOH A H2 1 HETATM 2743 O O . HOH K 6 . ? 32.797 22.307 55.430 1.00 32.75 ? 2155 HOH A O 1 HETATM 2744 H H1 . HOH K 6 . ? 33.083 21.864 56.229 1.00 0.00 ? 2155 HOH A H1 1 HETATM 2745 H H2 . HOH K 6 . ? 32.154 22.950 55.733 1.00 0.00 ? 2155 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 3 BMA 4 1005 1005 BMA 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 SO4 1 2001 2001 SO4 SO4 A . J 5 SO4 1 2002 2002 SO4 SO4 A . K 6 HOH 1 2003 1 HOH HOH A . K 6 HOH 2 2004 2 HOH HOH A . K 6 HOH 3 2005 3 HOH HOH A . K 6 HOH 4 2006 4 HOH HOH A . K 6 HOH 5 2007 5 HOH HOH A . K 6 HOH 6 2008 6 HOH HOH A . K 6 HOH 7 2009 7 HOH HOH A . K 6 HOH 8 2010 8 HOH HOH A . K 6 HOH 9 2011 9 HOH HOH A . K 6 HOH 10 2012 10 HOH HOH A . K 6 HOH 11 2013 11 HOH HOH A . K 6 HOH 12 2014 12 HOH HOH A . K 6 HOH 13 2015 13 HOH HOH A . K 6 HOH 14 2016 14 HOH HOH A . K 6 HOH 15 2017 15 HOH HOH A . K 6 HOH 16 2018 16 HOH HOH A . K 6 HOH 17 2019 17 HOH HOH A . K 6 HOH 18 2020 18 HOH HOH A . K 6 HOH 19 2021 19 HOH HOH A . K 6 HOH 20 2022 20 HOH HOH A . K 6 HOH 21 2023 21 HOH HOH A . K 6 HOH 22 2024 22 HOH HOH A . K 6 HOH 23 2025 23 HOH HOH A . K 6 HOH 24 2026 24 HOH HOH A . K 6 HOH 25 2027 25 HOH HOH A . K 6 HOH 26 2028 26 HOH HOH A . K 6 HOH 27 2029 27 HOH HOH A . K 6 HOH 28 2030 28 HOH HOH A . K 6 HOH 29 2031 29 HOH HOH A . K 6 HOH 30 2032 30 HOH HOH A . K 6 HOH 31 2033 31 HOH HOH A . K 6 HOH 32 2034 32 HOH HOH A . K 6 HOH 33 2035 33 HOH HOH A . K 6 HOH 34 2036 34 HOH HOH A . K 6 HOH 35 2037 35 HOH HOH A . K 6 HOH 36 2038 36 HOH HOH A . K 6 HOH 37 2039 37 HOH HOH A . K 6 HOH 38 2040 38 HOH HOH A . K 6 HOH 39 2041 39 HOH HOH A . K 6 HOH 40 2042 40 HOH HOH A . K 6 HOH 41 2043 41 HOH HOH A . K 6 HOH 42 2044 42 HOH HOH A . K 6 HOH 43 2045 43 HOH HOH A . K 6 HOH 44 2046 44 HOH HOH A . K 6 HOH 45 2047 45 HOH HOH A . K 6 HOH 46 2048 46 HOH HOH A . K 6 HOH 47 2049 47 HOH HOH A . K 6 HOH 48 2050 48 HOH HOH A . K 6 HOH 49 2051 49 HOH HOH A . K 6 HOH 50 2052 50 HOH HOH A . K 6 HOH 51 2053 51 HOH HOH A . K 6 HOH 52 2054 52 HOH HOH A . K 6 HOH 53 2055 53 HOH HOH A . K 6 HOH 54 2056 54 HOH HOH A . K 6 HOH 55 2057 55 HOH HOH A . K 6 HOH 56 2058 56 HOH HOH A . K 6 HOH 57 2059 57 HOH HOH A . K 6 HOH 58 2060 58 HOH HOH A . K 6 HOH 59 2061 59 HOH HOH A . K 6 HOH 60 2062 60 HOH HOH A . K 6 HOH 61 2063 61 HOH HOH A . K 6 HOH 62 2064 62 HOH HOH A . K 6 HOH 63 2065 63 HOH HOH A . K 6 HOH 64 2066 64 HOH HOH A . K 6 HOH 65 2067 65 HOH HOH A . K 6 HOH 66 2068 66 HOH HOH A . K 6 HOH 67 2069 67 HOH HOH A . K 6 HOH 68 2070 68 HOH HOH A . K 6 HOH 69 2071 69 HOH HOH A . K 6 HOH 70 2072 70 HOH HOH A . K 6 HOH 71 2073 71 HOH HOH A . K 6 HOH 72 2074 72 HOH HOH A . K 6 HOH 73 2075 73 HOH HOH A . K 6 HOH 74 2076 74 HOH HOH A . K 6 HOH 75 2077 75 HOH HOH A . K 6 HOH 76 2078 76 HOH HOH A . K 6 HOH 77 2079 77 HOH HOH A . K 6 HOH 78 2080 78 HOH HOH A . K 6 HOH 79 2081 79 HOH HOH A . K 6 HOH 80 2082 80 HOH HOH A . K 6 HOH 81 2083 81 HOH HOH A . K 6 HOH 82 2084 82 HOH HOH A . K 6 HOH 83 2085 83 HOH HOH A . K 6 HOH 84 2086 84 HOH HOH A . K 6 HOH 85 2087 85 HOH HOH A . K 6 HOH 86 2088 86 HOH HOH A . K 6 HOH 87 2089 87 HOH HOH A . K 6 HOH 88 2090 88 HOH HOH A . K 6 HOH 89 2091 89 HOH HOH A . K 6 HOH 90 2092 90 HOH HOH A . K 6 HOH 91 2093 91 HOH HOH A . K 6 HOH 92 2094 92 HOH HOH A . K 6 HOH 93 2095 93 HOH HOH A . K 6 HOH 94 2096 94 HOH HOH A . K 6 HOH 95 2097 95 HOH HOH A . K 6 HOH 96 2098 96 HOH HOH A . K 6 HOH 97 2099 97 HOH HOH A . K 6 HOH 98 2100 98 HOH HOH A . K 6 HOH 99 2101 99 HOH HOH A . K 6 HOH 100 2102 100 HOH HOH A . K 6 HOH 101 2103 101 HOH HOH A . K 6 HOH 102 2104 102 HOH HOH A . K 6 HOH 103 2105 103 HOH HOH A . K 6 HOH 104 2106 104 HOH HOH A . K 6 HOH 105 2107 105 HOH HOH A . K 6 HOH 106 2108 106 HOH HOH A . K 6 HOH 107 2109 107 HOH HOH A . K 6 HOH 108 2110 108 HOH HOH A . K 6 HOH 109 2111 109 HOH HOH A . K 6 HOH 110 2112 110 HOH HOH A . K 6 HOH 111 2113 111 HOH HOH A . K 6 HOH 112 2114 112 HOH HOH A . K 6 HOH 113 2115 113 HOH HOH A . K 6 HOH 114 2116 114 HOH HOH A . K 6 HOH 115 2117 115 HOH HOH A . K 6 HOH 116 2118 116 HOH HOH A . K 6 HOH 117 2119 117 HOH HOH A . K 6 HOH 118 2120 118 HOH HOH A . K 6 HOH 119 2121 119 HOH HOH A . K 6 HOH 120 2122 120 HOH HOH A . K 6 HOH 121 2123 121 HOH HOH A . K 6 HOH 122 2124 122 HOH HOH A . K 6 HOH 123 2125 123 HOH HOH A . K 6 HOH 124 2126 124 HOH HOH A . K 6 HOH 125 2127 125 HOH HOH A . K 6 HOH 126 2128 126 HOH HOH A . K 6 HOH 127 2129 127 HOH HOH A . K 6 HOH 128 2130 128 HOH HOH A . K 6 HOH 129 2131 129 HOH HOH A . K 6 HOH 130 2132 130 HOH HOH A . K 6 HOH 131 2133 131 HOH HOH A . K 6 HOH 132 2134 132 HOH HOH A . K 6 HOH 133 2135 133 HOH HOH A . K 6 HOH 134 2136 134 HOH HOH A . K 6 HOH 135 2137 135 HOH HOH A . K 6 HOH 136 2138 136 HOH HOH A . K 6 HOH 137 2139 137 HOH HOH A . K 6 HOH 138 2140 138 HOH HOH A . K 6 HOH 139 2141 139 HOH HOH A . K 6 HOH 140 2142 140 HOH HOH A . K 6 HOH 141 2143 141 HOH HOH A . K 6 HOH 142 2144 142 HOH HOH A . K 6 HOH 143 2145 143 HOH HOH A . K 6 HOH 144 2146 144 HOH HOH A . K 6 HOH 145 2147 145 HOH HOH A . K 6 HOH 146 2148 146 HOH HOH A . K 6 HOH 147 2149 147 HOH HOH A . K 6 HOH 148 2150 148 HOH HOH A . K 6 HOH 149 2151 149 HOH HOH A . K 6 HOH 150 2152 150 HOH HOH A . K 6 HOH 151 2153 151 HOH HOH A . K 6 HOH 152 2154 152 HOH HOH A . K 6 HOH 153 2155 153 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 182 A ASN 182 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 104 A ASN 104 ? 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,J,K # _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 O3 A BMA 1005 ? ? H1 A MAN 1007 ? ? 0.96 2 1 O6 A BMA 1005 ? ? H1 A MAN 1006 ? ? 1.01 3 1 H1 A HOH 2011 ? ? H1 A HOH 2015 ? ? 1.19 4 1 H1 A HOH 2091 ? ? H1 A HOH 2097 ? ? 1.27 5 1 H1 A HOH 2041 ? ? H2 A HOH 2095 ? ? 1.29 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 NE A ARG 50 ? ? CZ A ARG 50 ? ? NH1 A ARG 50 ? ? 123.82 120.30 3.52 0.50 N 2 1 NE A ARG 50 ? ? CZ A ARG 50 ? ? NH2 A ARG 50 ? ? 115.98 120.30 -4.32 0.50 N # _pdbx_validate_torsion.id 1 _pdbx_validate_torsion.PDB_model_num 1 _pdbx_validate_torsion.auth_comp_id ASP _pdbx_validate_torsion.auth_asym_id A _pdbx_validate_torsion.auth_seq_id 8 _pdbx_validate_torsion.PDB_ins_code ? _pdbx_validate_torsion.label_alt_id ? _pdbx_validate_torsion.phi -113.49 _pdbx_validate_torsion.psi -156.43 # 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 'SULFATE ION' SO4 6 water HOH #