data_5FBA # _entry.id 5FBA # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5FBA WWPDB D_1000215726 # loop_ _pdbx_database_related.db_name _pdbx_database_related.details _pdbx_database_related.db_id _pdbx_database_related.content_type PDB '5FB9 contains the same protein with unoccupied active site' 5FB9 unspecified PDB ;5FBB CONTAINS THE WILD TYPE OF THE SAME PROTEIN IN COMPLEX WITH PHOSPHATE AND ADENOSINE 5'-MONOPHOSPHATE ; 5FBB unspecified PDB ;5FBC CONTAINS THE WILD TYPE OF THE SAME PROTEIN IN COMPLEX WITH 2'-DEOXYADENOSINE-5'-THIO-MONOPHOSPHATE (5'DAMP(S)) ; 5FBC unspecified PDB ;5FBD CONTAINS THE WILD TYPE OF THE SAME PROTEIN IN COMPLEX WITH PHOSPHATE AND 2'-DEOXYCYTIDINE ; 5FBD unspecified PDB ;5FBF CONTAINS THE WILD TYPE OF THE SAME PROTEIN IN COMPLEX WITH TWO MOLECULES OF 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE ; 5FBF unspecified PDB ;5FBG CONTAINS THE D65N MUTANT OF THE SAME PROTEIN IN COMPLEX WITH PHOSPHATE, 2'-DEOXYCYTIDINE AND 2'-DEOXY-GUANOSINE ; 5FBG unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5FBA _pdbx_database_status.recvd_initial_deposition_date 2015-12-14 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Koval, T.' 1 'Oestergaard, L.H.' 2 'Dohnalek, J.' 3 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'PLoS ONE' _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 1932-6203 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 11 _citation.language ? _citation.page_first e0168832 _citation.page_last e0168832 _citation.title ;Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition. ; _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1371/journal.pone.0168832 _citation.pdbx_database_id_PubMed 28036383 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Koval, T.' 1 primary 'stergaard, L.H.' 2 primary 'Lehmbeck, J.' 3 primary 'Nrgaard, A.' 4 primary 'Lipovova, P.' 5 primary 'Duskova, J.' 6 primary 'Skalova, T.' 7 primary 'Trundova, M.' 8 primary 'Kolenko, P.' 9 primary 'Fejfarova, K.' 10 primary 'Stransky, J.' 11 primary 'Svecova, L.' 12 primary 'Hasek, J.' 13 primary 'Dohnalek, J.' 14 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 106.75 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5FBA _cell.details ? _cell.formula_units_Z ? _cell.length_a 41.765 _cell.length_a_esd ? _cell.length_b 62.307 _cell.length_b_esd ? _cell.length_c 48.003 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 2 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5FBA _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? # 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 'Nuclease S1' 29083.660 1 3.1.30.1 ? ? 'Mature protein without signal sequence.' 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 non-polymer syn 'ZINC ION' 65.409 3 ? ? ? ? 4 non-polymer syn 'PHOSPHATE ION' 94.971 1 ? ? ? ? 5 non-polymer syn GLYCEROL 92.094 1 ? ? ? ? 6 water nat water 18.015 214 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Deoxyribonuclease S1,Endonuclease S1,Single-stranded-nucleate endonuclease' # _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 ;WGNLGHETVAYIAQSFVASSTESFCQNILGDDSTSYLANVATWADTYKYTDAGEFSKPYHFIDAQDNPPQSCGVDYDRDC GSAGCSISAIQNYTNILLESPNGSEALNALKFVVHIIGDIHQPLHDENLEAGGNGIDVTYDGETTNLHHIWDTNMPEEAA GGYSLSVAKTYADLLTERIKTGTYSSKKDSWTDGIDIKDPVSTSMIWAADANTYVCSTVLDDGLAYINSTDLSGEYYDKS QPVFEELIAKAGYRLAAWLDLIASQPS ; _entity_poly.pdbx_seq_one_letter_code_can ;WGNLGHETVAYIAQSFVASSTESFCQNILGDDSTSYLANVATWADTYKYTDAGEFSKPYHFIDAQDNPPQSCGVDYDRDC GSAGCSISAIQNYTNILLESPNGSEALNALKFVVHIIGDIHQPLHDENLEAGGNGIDVTYDGETTNLHHIWDTNMPEEAA GGYSLSVAKTYADLLTERIKTGTYSSKKDSWTDGIDIKDPVSTSMIWAADANTYVCSTVLDDGLAYINSTDLSGEYYDKS QPVFEELIAKAGYRLAAWLDLIASQPS ; _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 TRP n 1 2 GLY n 1 3 ASN n 1 4 LEU n 1 5 GLY n 1 6 HIS n 1 7 GLU n 1 8 THR n 1 9 VAL n 1 10 ALA n 1 11 TYR n 1 12 ILE n 1 13 ALA n 1 14 GLN n 1 15 SER n 1 16 PHE n 1 17 VAL n 1 18 ALA n 1 19 SER n 1 20 SER n 1 21 THR n 1 22 GLU n 1 23 SER n 1 24 PHE n 1 25 CYS n 1 26 GLN n 1 27 ASN n 1 28 ILE n 1 29 LEU n 1 30 GLY n 1 31 ASP n 1 32 ASP n 1 33 SER n 1 34 THR n 1 35 SER n 1 36 TYR n 1 37 LEU n 1 38 ALA n 1 39 ASN n 1 40 VAL n 1 41 ALA n 1 42 THR n 1 43 TRP n 1 44 ALA n 1 45 ASP n 1 46 THR n 1 47 TYR n 1 48 LYS n 1 49 TYR n 1 50 THR n 1 51 ASP n 1 52 ALA n 1 53 GLY n 1 54 GLU n 1 55 PHE n 1 56 SER n 1 57 LYS n 1 58 PRO n 1 59 TYR n 1 60 HIS n 1 61 PHE n 1 62 ILE n 1 63 ASP n 1 64 ALA n 1 65 GLN n 1 66 ASP n 1 67 ASN n 1 68 PRO n 1 69 PRO n 1 70 GLN n 1 71 SER n 1 72 CYS n 1 73 GLY n 1 74 VAL n 1 75 ASP n 1 76 TYR n 1 77 ASP n 1 78 ARG n 1 79 ASP n 1 80 CYS n 1 81 GLY n 1 82 SER n 1 83 ALA n 1 84 GLY n 1 85 CYS n 1 86 SER n 1 87 ILE n 1 88 SER n 1 89 ALA n 1 90 ILE n 1 91 GLN n 1 92 ASN n 1 93 TYR n 1 94 THR n 1 95 ASN n 1 96 ILE n 1 97 LEU n 1 98 LEU n 1 99 GLU n 1 100 SER n 1 101 PRO n 1 102 ASN n 1 103 GLY n 1 104 SER n 1 105 GLU n 1 106 ALA n 1 107 LEU n 1 108 ASN n 1 109 ALA n 1 110 LEU n 1 111 LYS n 1 112 PHE n 1 113 VAL n 1 114 VAL n 1 115 HIS n 1 116 ILE n 1 117 ILE n 1 118 GLY n 1 119 ASP n 1 120 ILE n 1 121 HIS n 1 122 GLN n 1 123 PRO n 1 124 LEU n 1 125 HIS n 1 126 ASP n 1 127 GLU n 1 128 ASN n 1 129 LEU n 1 130 GLU n 1 131 ALA n 1 132 GLY n 1 133 GLY n 1 134 ASN n 1 135 GLY n 1 136 ILE n 1 137 ASP n 1 138 VAL n 1 139 THR n 1 140 TYR n 1 141 ASP n 1 142 GLY n 1 143 GLU n 1 144 THR n 1 145 THR n 1 146 ASN n 1 147 LEU n 1 148 HIS n 1 149 HIS n 1 150 ILE n 1 151 TRP n 1 152 ASP n 1 153 THR n 1 154 ASN n 1 155 MET n 1 156 PRO n 1 157 GLU n 1 158 GLU n 1 159 ALA n 1 160 ALA n 1 161 GLY n 1 162 GLY n 1 163 TYR n 1 164 SER n 1 165 LEU n 1 166 SER n 1 167 VAL n 1 168 ALA n 1 169 LYS n 1 170 THR n 1 171 TYR n 1 172 ALA n 1 173 ASP n 1 174 LEU n 1 175 LEU n 1 176 THR n 1 177 GLU n 1 178 ARG n 1 179 ILE n 1 180 LYS n 1 181 THR n 1 182 GLY n 1 183 THR n 1 184 TYR n 1 185 SER n 1 186 SER n 1 187 LYS n 1 188 LYS n 1 189 ASP n 1 190 SER n 1 191 TRP n 1 192 THR n 1 193 ASP n 1 194 GLY n 1 195 ILE n 1 196 ASP n 1 197 ILE n 1 198 LYS n 1 199 ASP n 1 200 PRO n 1 201 VAL n 1 202 SER n 1 203 THR n 1 204 SER n 1 205 MET n 1 206 ILE n 1 207 TRP n 1 208 ALA n 1 209 ALA n 1 210 ASP n 1 211 ALA n 1 212 ASN n 1 213 THR n 1 214 TYR n 1 215 VAL n 1 216 CYS n 1 217 SER n 1 218 THR n 1 219 VAL n 1 220 LEU n 1 221 ASP n 1 222 ASP n 1 223 GLY n 1 224 LEU n 1 225 ALA n 1 226 TYR n 1 227 ILE n 1 228 ASN n 1 229 SER n 1 230 THR n 1 231 ASP n 1 232 LEU n 1 233 SER n 1 234 GLY n 1 235 GLU n 1 236 TYR n 1 237 TYR n 1 238 ASP n 1 239 LYS n 1 240 SER n 1 241 GLN n 1 242 PRO n 1 243 VAL n 1 244 PHE n 1 245 GLU n 1 246 GLU n 1 247 LEU n 1 248 ILE n 1 249 ALA n 1 250 LYS n 1 251 ALA n 1 252 GLY n 1 253 TYR n 1 254 ARG n 1 255 LEU n 1 256 ALA n 1 257 ALA n 1 258 TRP n 1 259 LEU n 1 260 ASP n 1 261 LEU n 1 262 ILE n 1 263 ALA n 1 264 SER n 1 265 GLN n 1 266 PRO n 1 267 SER 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 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 267 _entity_src_gen.gene_src_common_name 'Yellow koji mold' _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'nucS, AO090001000075' _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Aspergillus oryzae RIB40' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 510516 _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 ? _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 ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code NUS1_ASPOR _struct_ref.pdbx_db_accession P24021 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;WGNLGHETVAYIAQSFVASSTESFCQNILGDDSTSYLANVATWADTYKYTDAGEFSKPYHFIDAQDNPPQSCGVDYDRDC GSAGCSISAIQNYTNILLESPNGSEALNALKFVVHIIGDIHQPLHDENLEAGGNGIDVTYDGETTNLHHIWDTNMPEEAA GGYSLSVAKTYADLLTERIKTGTYSSKKDSWTDGIDIKDPVSTSMIWAADANTYVCSTVLDDGLAYINSTDLSGEYYDKS QPVFEELIAKAGYRLAAWLDLIASQPS ; _struct_ref.pdbx_align_begin 21 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5FBA _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 267 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P24021 _struct_ref_seq.db_align_beg 21 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 287 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 21 _struct_ref_seq.pdbx_auth_seq_align_end 287 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PO4 non-polymer . 'PHOSPHATE ION' ? 'O4 P -3' 94.971 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5FBA _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.07 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 40.6 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 5.5 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 291 _exptl_crystal_grow.temp_details stable _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.2 M Sodium chloride, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS PILATUS 6M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2013-05-30 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.91842 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'BESSY BEAMLINE 14.1' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.91842 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline 14.1 _diffrn_source.pdbx_synchrotron_site BESSY # _reflns.B_iso_Wilson_estimate 17.6 _reflns.entry_id 5FBA _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.8 _reflns.d_resolution_low 45.97 _reflns.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.number_all ? _reflns.number_obs 20922 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 95.3 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 3.1 _reflns.pdbx_Rmerge_I_obs 0.074 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 11.7 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 1.80 _reflns_shell.d_res_low 1.84 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 2.2 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 69.0 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.386 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 2.2 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] -1.45 _refine.aniso_B[1][2] -0.00 _refine.aniso_B[1][3] -1.36 _refine.aniso_B[2][2] -0.52 _refine.aniso_B[2][3] -0.00 _refine.aniso_B[3][3] 2.36 _refine.B_iso_max ? _refine.B_iso_mean 21.293 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.971 _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5FBA _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.80 _refine.ls_d_res_low 45.97 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 20820 _refine.ls_number_reflns_R_free 1078 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 94.86 _refine.ls_percent_reflns_R_free 5.2 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.15304 _refine.ls_R_factor_R_free 0.19864 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.15202 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details MASK _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 1AK0 _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_R_Free_selection_details 'Random selection' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R 0.125 _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B 2.865 _refine.overall_SU_ML 0.080 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2042 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 28 _refine_hist.number_atoms_solvent 214 _refine_hist.number_atoms_total 2284 _refine_hist.d_res_high 1.80 _refine_hist.d_res_low 45.97 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.016 0.020 2148 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? 0.008 0.020 1888 ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 1.688 1.943 2937 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? 1.066 3.000 4375 ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 6.159 5.000 269 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 38.358 25.882 102 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 13.868 15.000 322 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 14.398 15.000 3 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.109 0.200 327 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.008 0.020 2474 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? 0.002 0.020 479 ? r_gen_planes_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? 1.433 1.994 1067 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? 1.431 1.991 1066 ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 1.969 2.983 1333 ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? 1.969 2.986 1334 ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? 1.909 2.166 1081 ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? 1.908 2.166 1081 ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? 2.812 3.180 1603 ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? 4.400 17.287 2760 ? r_long_range_B_refined ? ? 'X-RAY DIFFRACTION' ? 4.213 16.931 2695 ? r_long_range_B_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_rigid_bond_restr ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_free ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_bonded ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 1.800 _refine_ls_shell.d_res_low 1.847 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 52 _refine_ls_shell.number_reflns_R_work 1000 _refine_ls_shell.percent_reflns_obs 66.16 _refine_ls_shell.percent_reflns_R_free 4.9 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.340 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.326 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used ? _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # _struct.entry_id 5FBA _struct.title 'S1 nuclease from Aspergillus oryzae in complex with phosphate' _struct.pdbx_descriptor 'Nuclease S1 (E.C.3.1.30.1)' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5FBA _struct_keywords.text 'Endonuclease, Zinc dependent, Complex, hydrolase' _struct_keywords.pdbx_keywords 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 3 ? D N N 3 ? E N N 3 ? F N N 4 ? G N N 5 ? H N N 6 ? # 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 AA1 GLY A 2 ? SER A 15 ? GLY A 22 SER A 35 1 ? 14 HELX_P HELX_P2 AA2 ALA A 18 ? GLY A 30 ? ALA A 38 GLY A 50 1 ? 13 HELX_P HELX_P3 AA3 LEU A 37 ? ALA A 41 ? LEU A 57 ALA A 61 5 ? 5 HELX_P HELX_P4 AA4 THR A 42 ? LYS A 48 ? THR A 62 LYS A 68 1 ? 7 HELX_P HELX_P5 AA5 GLY A 53 ? PHE A 61 ? GLY A 73 PHE A 81 5 ? 9 HELX_P HELX_P6 AA6 ASP A 75 ? CYS A 80 ? ASP A 95 CYS A 100 1 ? 6 HELX_P HELX_P7 AA7 CYS A 85 ? SER A 100 ? CYS A 105 SER A 120 1 ? 16 HELX_P HELX_P8 AA8 GLU A 105 ? HIS A 121 ? GLU A 125 HIS A 141 1 ? 17 HELX_P HELX_P9 AA9 GLN A 122 ? ASP A 126 ? GLN A 142 ASP A 146 5 ? 5 HELX_P HELX_P10 AB1 ASN A 128 ? GLY A 133 ? ASN A 148 GLY A 153 1 ? 6 HELX_P HELX_P11 AB2 LEU A 147 ? THR A 153 ? LEU A 167 THR A 173 1 ? 7 HELX_P HELX_P12 AB3 THR A 153 ? GLY A 161 ? THR A 173 GLY A 181 1 ? 9 HELX_P HELX_P13 AB4 SER A 164 ? THR A 181 ? SER A 184 THR A 201 1 ? 18 HELX_P HELX_P14 AB5 SER A 186 ? TRP A 191 ? SER A 206 TRP A 211 5 ? 6 HELX_P HELX_P15 AB6 ASP A 199 ? THR A 218 ? ASP A 219 THR A 238 1 ? 20 HELX_P HELX_P16 AB7 GLY A 223 ? THR A 230 ? GLY A 243 THR A 250 1 ? 8 HELX_P HELX_P17 AB8 GLY A 234 ? GLN A 265 ? GLY A 254 GLN A 285 1 ? 32 # _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 72 SG ? ? ? 1_555 A CYS 216 SG ? ? A CYS 92 A CYS 236 1_555 ? ? ? ? ? ? ? 2.045 ? disulf2 disulf ? ? A CYS 80 SG ? ? ? 1_555 A CYS 85 SG ? ? A CYS 100 A CYS 105 1_555 ? ? ? ? ? ? ? 2.074 ? metalc1 metalc ? ? A TRP 1 N ? ? ? 1_555 E ZN . ZN ? ? A TRP 21 A ZN 401 1_555 ? ? ? ? ? ? ? 2.116 ? metalc2 metalc ? ? A TRP 1 O ? ? ? 1_555 E ZN . ZN ? ? A TRP 21 A ZN 401 1_555 ? ? ? ? ? ? ? 2.230 ? metalc3 metalc ? ? A HIS 6 NE2 ? ? ? 1_555 E ZN . ZN ? ? A HIS 26 A ZN 401 1_555 ? ? ? ? ? ? ? 2.103 ? metalc4 metalc ? ? A ASP 45 OD1 ? ? ? 1_555 C ZN . ZN ? ? A ASP 65 A ZN 402 1_555 ? ? ? ? ? ? ? 2.576 ? metalc5 metalc ? ? A HIS 60 ND1 ? ? ? 1_555 C ZN . ZN ? ? A HIS 80 A ZN 402 1_555 ? ? ? ? ? ? ? 2.067 ? metalc6 metalc ? ? A HIS 115 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 135 A ZN 402 1_555 ? ? ? ? ? ? ? 2.099 ? metalc7 metalc ? ? A ASP 119 OD1 ? ? ? 1_555 E ZN . ZN ? ? A ASP 139 A ZN 401 1_555 ? ? ? ? ? ? ? 2.145 ? metalc8 metalc ? ? A ASP 119 OD2 ? ? ? 1_555 C ZN . ZN ? ? A ASP 139 A ZN 402 1_555 ? ? ? ? ? ? ? 2.064 ? metalc9 metalc ? ? A HIS 125 NE2 ? ? ? 1_555 D ZN . ZN ? ? A HIS 145 A ZN 403 1_555 ? ? ? ? ? ? ? 2.058 ? metalc10 metalc ? ? A HIS 148 NE2 ? ? ? 1_555 D ZN . ZN ? ? A HIS 168 A ZN 403 1_555 ? ? ? ? ? ? ? 2.087 ? metalc11 metalc ? ? A ASP 152 OD1 ? ? ? 1_555 D ZN . ZN ? ? A ASP 172 A ZN 403 1_555 ? ? ? ? ? ? ? 2.678 ? metalc12 metalc ? ? A ASP 152 OD2 ? ? ? 1_555 D ZN . ZN ? ? A ASP 172 A ZN 403 1_555 ? ? ? ? ? ? ? 1.979 ? covale1 covale one ? A ASN 228 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 248 A NAG 502 1_555 ? ? ? ? ? ? ? 1.428 ? metalc13 metalc ? ? C ZN . ZN ? ? ? 1_555 F PO4 . O1 ? ? A ZN 402 A PO4 601 1_555 ? ? ? ? ? ? ? 1.859 ? metalc14 metalc ? ? C ZN . ZN ? ? ? 1_555 H HOH . O ? ? A ZN 402 A HOH 801 1_555 ? ? ? ? ? ? ? 1.997 ? metalc15 metalc ? ? D ZN . ZN ? ? ? 1_555 F PO4 . O3 ? ? A ZN 403 A PO4 601 1_555 ? ? ? ? ? ? ? 2.021 ? metalc16 metalc ? ? D ZN . ZN ? ? ? 1_555 H HOH . O ? ? A ZN 403 A HOH 802 1_555 ? ? ? ? ? ? ? 2.331 ? metalc17 metalc ? ? D ZN . ZN ? ? ? 1_555 H HOH . O ? ? A ZN 403 A HOH 803 1_555 ? ? ? ? ? ? ? 2.033 ? metalc18 metalc ? ? E ZN . ZN ? ? ? 1_555 F PO4 . O1 ? ? A ZN 401 A PO4 601 1_555 ? ? ? ? ? ? ? 1.967 ? metalc19 metalc ? ? E ZN . ZN ? ? ? 1_555 H HOH . O ? ? A ZN 401 A HOH 801 1_555 ? ? ? ? ? ? ? 2.051 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? metalc ? ? covale ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id PRO _struct_mon_prot_cis.label_seq_id 68 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id PRO _struct_mon_prot_cis.auth_seq_id 88 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 69 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 89 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle 0.38 # _struct_sheet.id AA1 _struct_sheet.type ? _struct_sheet.number_strands 2 _struct_sheet.details ? # _struct_sheet_order.sheet_id AA1 _struct_sheet_order.range_id_1 1 _struct_sheet_order.range_id_2 2 _struct_sheet_order.offset ? _struct_sheet_order.sense anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 ASP A 137 ? TYR A 140 ? ASP A 157 TYR A 160 AA1 2 GLU A 143 ? ASN A 146 ? GLU A 163 ASN A 166 # _pdbx_struct_sheet_hbond.sheet_id AA1 _pdbx_struct_sheet_hbond.range_id_1 1 _pdbx_struct_sheet_hbond.range_id_2 2 _pdbx_struct_sheet_hbond.range_1_label_atom_id N _pdbx_struct_sheet_hbond.range_1_label_comp_id TYR _pdbx_struct_sheet_hbond.range_1_label_asym_id A _pdbx_struct_sheet_hbond.range_1_label_seq_id 140 _pdbx_struct_sheet_hbond.range_1_PDB_ins_code ? _pdbx_struct_sheet_hbond.range_1_auth_atom_id N _pdbx_struct_sheet_hbond.range_1_auth_comp_id TYR _pdbx_struct_sheet_hbond.range_1_auth_asym_id A _pdbx_struct_sheet_hbond.range_1_auth_seq_id 160 _pdbx_struct_sheet_hbond.range_2_label_atom_id O _pdbx_struct_sheet_hbond.range_2_label_comp_id GLU _pdbx_struct_sheet_hbond.range_2_label_asym_id A _pdbx_struct_sheet_hbond.range_2_label_seq_id 143 _pdbx_struct_sheet_hbond.range_2_PDB_ins_code ? _pdbx_struct_sheet_hbond.range_2_auth_atom_id O _pdbx_struct_sheet_hbond.range_2_auth_comp_id GLU _pdbx_struct_sheet_hbond.range_2_auth_asym_id A _pdbx_struct_sheet_hbond.range_2_auth_seq_id 163 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A ZN 402 ? 7 'binding site for residue ZN A 402' AC2 Software A ZN 403 ? 6 'binding site for residue ZN A 403' AC3 Software A ZN 401 ? 6 'binding site for residue ZN A 401' AC4 Software A PO4 601 ? 17 'binding site for residue PO4 A 601' AC5 Software A GOL 701 ? 8 'binding site for residue GOL A 701' AC6 Software A NAG 502 ? 9 'binding site for Mono-Saccharide NAG A 502 bound to ASN A 248' # 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 7 ASP A 45 ? ASP A 65 . ? 1_555 ? 2 AC1 7 HIS A 60 ? HIS A 80 . ? 1_555 ? 3 AC1 7 HIS A 115 ? HIS A 135 . ? 1_555 ? 4 AC1 7 ASP A 119 ? ASP A 139 . ? 1_555 ? 5 AC1 7 ZN E . ? ZN A 401 . ? 1_555 ? 6 AC1 7 PO4 F . ? PO4 A 601 . ? 1_555 ? 7 AC1 7 HOH H . ? HOH A 801 . ? 1_555 ? 8 AC2 6 HIS A 125 ? HIS A 145 . ? 1_555 ? 9 AC2 6 HIS A 148 ? HIS A 168 . ? 1_555 ? 10 AC2 6 ASP A 152 ? ASP A 172 . ? 1_555 ? 11 AC2 6 PO4 F . ? PO4 A 601 . ? 1_555 ? 12 AC2 6 HOH H . ? HOH A 802 . ? 1_555 ? 13 AC2 6 HOH H . ? HOH A 803 . ? 1_555 ? 14 AC3 6 TRP A 1 ? TRP A 21 . ? 1_555 ? 15 AC3 6 HIS A 6 ? HIS A 26 . ? 1_555 ? 16 AC3 6 ASP A 119 ? ASP A 139 . ? 1_555 ? 17 AC3 6 ZN C . ? ZN A 402 . ? 1_555 ? 18 AC3 6 PO4 F . ? PO4 A 601 . ? 1_555 ? 19 AC3 6 HOH H . ? HOH A 801 . ? 1_555 ? 20 AC4 17 TRP A 1 ? TRP A 21 . ? 1_555 ? 21 AC4 17 HIS A 6 ? HIS A 26 . ? 1_555 ? 22 AC4 17 ASP A 45 ? ASP A 65 . ? 1_555 ? 23 AC4 17 LYS A 48 ? LYS A 68 . ? 1_555 ? 24 AC4 17 HIS A 60 ? HIS A 80 . ? 1_555 ? 25 AC4 17 HIS A 115 ? HIS A 135 . ? 1_555 ? 26 AC4 17 ASP A 119 ? ASP A 139 . ? 1_555 ? 27 AC4 17 HIS A 125 ? HIS A 145 . ? 1_555 ? 28 AC4 17 ASP A 152 ? ASP A 172 . ? 1_555 ? 29 AC4 17 ZN E . ? ZN A 401 . ? 1_555 ? 30 AC4 17 ZN C . ? ZN A 402 . ? 1_555 ? 31 AC4 17 ZN D . ? ZN A 403 . ? 1_555 ? 32 AC4 17 HOH H . ? HOH A 801 . ? 1_555 ? 33 AC4 17 HOH H . ? HOH A 802 . ? 1_555 ? 34 AC4 17 HOH H . ? HOH A 803 . ? 1_555 ? 35 AC4 17 HOH H . ? HOH A 1115 . ? 1_555 ? 36 AC4 17 HOH H . ? HOH A 1122 . ? 1_555 ? 37 AC5 8 PHE A 24 ? PHE A 44 . ? 1_555 ? 38 AC5 8 ASN A 27 ? ASN A 47 . ? 1_555 ? 39 AC5 8 ILE A 28 ? ILE A 48 . ? 1_555 ? 40 AC5 8 PRO A 101 ? PRO A 121 . ? 1_555 ? 41 AC5 8 ASN A 102 ? ASN A 122 . ? 1_555 ? 42 AC5 8 ALA A 225 ? ALA A 245 . ? 1_454 ? 43 AC5 8 ASN A 228 ? ASN A 248 . ? 1_454 ? 44 AC5 8 NAG B . ? NAG A 502 . ? 1_454 ? 45 AC6 9 ASN A 102 ? ASN A 122 . ? 1_656 ? 46 AC6 9 GLU A 130 ? GLU A 150 . ? 1_555 ? 47 AC6 9 GLY A 135 ? GLY A 155 . ? 1_555 ? 48 AC6 9 ILE A 136 ? ILE A 156 . ? 1_555 ? 49 AC6 9 ASP A 137 ? ASP A 157 . ? 1_555 ? 50 AC6 9 ALA A 225 ? ALA A 245 . ? 1_555 ? 51 AC6 9 ASN A 228 ? ASN A 248 . ? 1_555 ? 52 AC6 9 GOL G . ? GOL A 701 . ? 1_656 ? 53 AC6 9 HOH H . ? HOH A 1057 . ? 1_555 ? # _atom_sites.entry_id 5FBA _atom_sites.fract_transf_matrix[1][1] 0.023943 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.007204 _atom_sites.fract_transf_matrix[2][1] -0.000000 _atom_sites.fract_transf_matrix[2][2] 0.016050 _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] 0.021754 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O P S ZN # 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 . TRP A 1 1 ? 18.939 -4.579 4.407 1.00 15.30 ? 21 TRP A N 1 ATOM 2 C CA . TRP A 1 1 ? 17.959 -5.315 5.235 1.00 15.78 ? 21 TRP A CA 1 ATOM 3 C C . TRP A 1 1 ? 18.072 -6.788 4.858 1.00 16.04 ? 21 TRP A C 1 ATOM 4 O O . TRP A 1 1 ? 18.547 -7.159 3.765 1.00 15.55 ? 21 TRP A O 1 ATOM 5 C CB . TRP A 1 1 ? 16.507 -4.859 5.007 1.00 16.32 ? 21 TRP A CB 1 ATOM 6 C CG . TRP A 1 1 ? 16.238 -3.393 5.171 1.00 16.77 ? 21 TRP A CG 1 ATOM 7 C CD1 . TRP A 1 1 ? 16.091 -2.479 4.171 1.00 16.41 ? 21 TRP A CD1 1 ATOM 8 C CD2 . TRP A 1 1 ? 16.125 -2.648 6.418 1.00 15.67 ? 21 TRP A CD2 1 ATOM 9 N NE1 . TRP A 1 1 ? 15.831 -1.233 4.697 1.00 16.18 ? 21 TRP A NE1 1 ATOM 10 C CE2 . TRP A 1 1 ? 15.891 -1.294 6.069 1.00 14.60 ? 21 TRP A CE2 1 ATOM 11 C CE3 . TRP A 1 1 ? 16.210 -2.996 7.769 1.00 15.15 ? 21 TRP A CE3 1 ATOM 12 C CZ2 . TRP A 1 1 ? 15.727 -0.289 7.006 1.00 14.12 ? 21 TRP A CZ2 1 ATOM 13 C CZ3 . TRP A 1 1 ? 16.047 -1.974 8.753 1.00 16.28 ? 21 TRP A CZ3 1 ATOM 14 C CH2 . TRP A 1 1 ? 15.813 -0.622 8.352 1.00 15.86 ? 21 TRP A CH2 1 ATOM 15 N N . GLY A 1 2 ? 17.605 -7.622 5.759 1.00 15.87 ? 22 GLY A N 1 ATOM 16 C CA . GLY A 1 2 ? 17.367 -9.048 5.437 1.00 16.38 ? 22 GLY A CA 1 ATOM 17 C C . GLY A 1 2 ? 16.073 -9.174 4.676 1.00 17.33 ? 22 GLY A C 1 ATOM 18 O O . GLY A 1 2 ? 15.476 -8.155 4.297 1.00 16.03 ? 22 GLY A O 1 ATOM 19 N N . ASN A 1 3 ? 15.614 -10.405 4.479 1.00 16.73 ? 23 ASN A N 1 ATOM 20 C CA . ASN A 1 3 ? 14.487 -10.676 3.579 1.00 17.95 ? 23 ASN A CA 1 ATOM 21 C C . ASN A 1 3 ? 13.207 -10.018 4.033 1.00 16.74 ? 23 ASN A C 1 ATOM 22 O O . ASN A 1 3 ? 12.498 -9.455 3.244 1.00 14.91 ? 23 ASN A O 1 ATOM 23 C CB . ASN A 1 3 ? 14.294 -12.189 3.437 1.00 20.02 ? 23 ASN A CB 1 ATOM 24 C CG . ASN A 1 3 ? 15.490 -12.850 2.765 1.00 21.89 ? 23 ASN A CG 1 ATOM 25 O OD1 . ASN A 1 3 ? 16.337 -12.206 2.118 1.00 24.38 ? 23 ASN A OD1 1 ATOM 26 N ND2 . ASN A 1 3 ? 15.587 -14.120 2.936 1.00 27.33 ? 23 ASN A ND2 1 ATOM 27 N N . LEU A 1 4 ? 12.942 -10.067 5.342 1.00 17.20 ? 24 LEU A N 1 ATOM 28 C CA . LEU A 1 4 ? 11.720 -9.514 5.895 1.00 16.62 ? 24 LEU A CA 1 ATOM 29 C C . LEU A 1 4 ? 11.594 -8.012 5.636 1.00 16.22 ? 24 LEU A C 1 ATOM 30 O O . LEU A 1 4 ? 10.557 -7.534 5.136 1.00 15.97 ? 24 LEU A O 1 ATOM 31 C CB . LEU A 1 4 ? 11.661 -9.823 7.379 1.00 18.42 ? 24 LEU A CB 1 ATOM 32 C CG . LEU A 1 4 ? 10.552 -9.325 8.234 1.00 18.10 ? 24 LEU A CG 1 ATOM 33 C CD1 . LEU A 1 4 ? 10.736 -7.885 8.631 1.00 20.72 ? 24 LEU A CD1 1 ATOM 34 C CD2 . LEU A 1 4 ? 9.170 -9.517 7.636 1.00 19.37 ? 24 LEU A CD2 1 ATOM 35 N N . GLY A 1 5 ? 12.669 -7.282 5.934 1.00 14.96 ? 25 GLY A N 1 ATOM 36 C CA . GLY A 1 5 ? 12.786 -5.871 5.601 1.00 14.07 ? 25 GLY A CA 1 ATOM 37 C C . GLY A 1 5 ? 12.502 -5.562 4.124 1.00 13.65 ? 25 GLY A C 1 ATOM 38 O O . GLY A 1 5 ? 11.709 -4.704 3.821 1.00 11.98 ? 25 GLY A O 1 ATOM 39 N N . HIS A 1 6 ? 13.171 -6.254 3.217 1.00 13.18 ? 26 HIS A N 1 ATOM 40 C CA . HIS A 1 6 ? 12.945 -6.043 1.783 1.00 13.85 ? 26 HIS A CA 1 ATOM 41 C C . HIS A 1 6 ? 11.547 -6.337 1.309 1.00 14.34 ? 26 HIS A C 1 ATOM 42 O O . HIS A 1 6 ? 10.991 -5.599 0.481 1.00 15.10 ? 26 HIS A O 1 ATOM 43 C CB . HIS A 1 6 ? 13.943 -6.844 1.007 1.00 14.65 ? 26 HIS A CB 1 ATOM 44 C CG . HIS A 1 6 ? 15.274 -6.202 1.014 1.00 16.37 ? 26 HIS A CG 1 ATOM 45 N ND1 . HIS A 1 6 ? 15.480 -4.939 0.500 1.00 17.30 ? 26 HIS A ND1 1 ATOM 46 C CD2 . HIS A 1 6 ? 16.444 -6.589 1.551 1.00 17.55 ? 26 HIS A CD2 1 ATOM 47 C CE1 . HIS A 1 6 ? 16.751 -4.615 0.636 1.00 17.40 ? 26 HIS A CE1 1 ATOM 48 N NE2 . HIS A 1 6 ? 17.355 -5.590 1.293 1.00 19.37 ? 26 HIS A NE2 1 ATOM 49 N N . GLU A 1 7 ? 10.964 -7.412 1.829 1.00 15.28 ? 27 GLU A N 1 ATOM 50 C CA . GLU A 1 7 ? 9.572 -7.735 1.513 1.00 15.57 ? 27 GLU A CA 1 ATOM 51 C C . GLU A 1 7 ? 8.557 -6.742 2.047 1.00 15.11 ? 27 GLU A C 1 ATOM 52 O O . GLU A 1 7 ? 7.570 -6.482 1.384 1.00 14.70 ? 27 GLU A O 1 ATOM 53 C CB . GLU A 1 7 ? 9.237 -9.191 1.934 1.00 17.30 ? 27 GLU A CB 1 ATOM 54 C CG . GLU A 1 7 ? 10.102 -10.207 1.179 1.00 17.59 ? 27 GLU A CG 1 ATOM 55 C CD . GLU A 1 7 ? 10.206 -11.572 1.858 1.00 19.64 ? 27 GLU A CD 1 ATOM 56 O OE1 . GLU A 1 7 ? 9.619 -11.753 2.951 1.00 19.10 ? 27 GLU A OE1 1 ATOM 57 O OE2 . GLU A 1 7 ? 10.912 -12.442 1.282 1.00 22.33 ? 27 GLU A OE2 1 ATOM 58 N N . THR A 1 8 ? 8.788 -6.213 3.253 1.00 15.00 ? 28 THR A N 1 ATOM 59 C CA . THR A 1 8 ? 7.924 -5.214 3.833 1.00 14.64 ? 28 THR A CA 1 ATOM 60 C C . THR A 1 8 ? 7.996 -3.900 3.016 1.00 14.33 ? 28 THR A C 1 ATOM 61 O O . THR A 1 8 ? 6.986 -3.297 2.702 1.00 13.98 ? 28 THR A O 1 ATOM 62 C CB . THR A 1 8 ? 8.321 -4.950 5.275 1.00 15.38 ? 28 THR A CB 1 ATOM 63 O OG1 . THR A 1 8 ? 8.405 -6.192 6.007 1.00 16.21 ? 28 THR A OG1 1 ATOM 64 C CG2 . THR A 1 8 ? 7.347 -3.960 5.947 1.00 15.44 ? 28 THR A CG2 1 ATOM 65 N N . VAL A 1 9 ? 9.191 -3.469 2.681 1.00 12.83 ? 29 VAL A N 1 ATOM 66 C CA . VAL A 1 9 ? 9.359 -2.317 1.807 1.00 15.08 ? 29 VAL A CA 1 ATOM 67 C C . VAL A 1 9 ? 8.557 -2.487 0.442 1.00 15.40 ? 29 VAL A C 1 ATOM 68 O O . VAL A 1 9 ? 7.875 -1.566 0.032 1.00 17.84 ? 29 VAL A O 1 ATOM 69 C CB . VAL A 1 9 ? 10.846 -2.061 1.543 1.00 14.56 ? 29 VAL A CB 1 ATOM 70 C CG1 . VAL A 1 9 ? 11.071 -1.111 0.358 1.00 14.74 ? 29 VAL A CG1 1 ATOM 71 C CG2 . VAL A 1 9 ? 11.501 -1.558 2.815 1.00 16.76 ? 29 VAL A CG2 1 ATOM 72 N N . ALA A 1 10 ? 8.672 -3.657 -0.199 1.00 15.27 ? 30 ALA A N 1 ATOM 73 C CA . ALA A 1 10 ? 8.023 -4.004 -1.433 1.00 14.45 ? 30 ALA A CA 1 ATOM 74 C C . ALA A 1 10 ? 6.497 -3.967 -1.290 1.00 16.39 ? 30 ALA A C 1 ATOM 75 O O . ALA A 1 10 ? 5.809 -3.396 -2.134 1.00 15.19 ? 30 ALA A O 1 ATOM 76 C CB . ALA A 1 10 ? 8.426 -5.386 -1.860 1.00 14.66 ? 30 ALA A CB 1 ATOM 77 N N . TYR A 1 11 ? 5.973 -4.586 -0.227 1.00 16.00 ? 31 TYR A N 1 ATOM 78 C CA . TYR A 1 11 ? 4.500 -4.597 -0.027 1.00 16.41 ? 31 TYR A CA 1 ATOM 79 C C . TYR A 1 11 ? 3.963 -3.174 0.250 1.00 16.50 ? 31 TYR A C 1 ATOM 80 O O . TYR A 1 11 ? 2.830 -2.843 -0.148 1.00 15.86 ? 31 TYR A O 1 ATOM 81 C CB . TYR A 1 11 ? 4.075 -5.553 1.095 1.00 17.84 ? 31 TYR A CB 1 ATOM 82 C CG . TYR A 1 11 ? 3.967 -7.032 0.742 1.00 18.25 ? 31 TYR A CG 1 ATOM 83 C CD1 . TYR A 1 11 ? 3.124 -7.480 -0.274 1.00 18.72 ? 31 TYR A CD1 1 ATOM 84 C CD2 . TYR A 1 11 ? 4.597 -7.998 1.518 1.00 18.96 ? 31 TYR A CD2 1 ATOM 85 C CE1 . TYR A 1 11 ? 2.991 -8.850 -0.547 1.00 18.02 ? 31 TYR A CE1 1 ATOM 86 C CE2 . TYR A 1 11 ? 4.482 -9.350 1.253 1.00 18.57 ? 31 TYR A CE2 1 ATOM 87 C CZ . TYR A 1 11 ? 3.672 -9.770 0.226 1.00 18.13 ? 31 TYR A CZ 1 ATOM 88 O OH . TYR A 1 11 ? 3.555 -11.087 -0.048 1.00 18.04 ? 31 TYR A OH 1 ATOM 89 N N . ILE A 1 12 ? 4.743 -2.360 0.969 1.00 16.41 ? 32 ILE A N 1 ATOM 90 C CA . ILE A 1 12 ? 4.367 -0.977 1.186 1.00 15.54 ? 32 ILE A CA 1 ATOM 91 C C . ILE A 1 12 ? 4.213 -0.296 -0.167 1.00 15.79 ? 32 ILE A C 1 ATOM 92 O O . ILE A 1 12 ? 3.173 0.283 -0.423 1.00 15.58 ? 32 ILE A O 1 ATOM 93 C CB . ILE A 1 12 ? 5.343 -0.214 2.126 1.00 16.15 ? 32 ILE A CB 1 ATOM 94 C CG1 . ILE A 1 12 ? 5.246 -0.779 3.561 1.00 15.13 ? 32 ILE A CG1 1 ATOM 95 C CG2 . ILE A 1 12 ? 5.004 1.265 2.139 1.00 14.68 ? 32 ILE A CG2 1 ATOM 96 C CD1 . ILE A 1 12 ? 6.355 -0.262 4.461 1.00 15.73 ? 32 ILE A CD1 1 ATOM 97 N N . ALA A 1 13 ? 5.227 -0.395 -1.020 1.00 14.94 ? 33 ALA A N 1 ATOM 98 C CA . ALA A 1 13 ? 5.241 0.222 -2.325 1.00 16.93 ? 33 ALA A CA 1 ATOM 99 C C . ALA A 1 13 ? 4.029 -0.262 -3.174 1.00 17.07 ? 33 ALA A C 1 ATOM 100 O O . ALA A 1 13 ? 3.359 0.544 -3.830 1.00 17.07 ? 33 ALA A O 1 ATOM 101 C CB . ALA A 1 13 ? 6.579 -0.033 -3.043 1.00 15.77 ? 33 ALA A CB 1 ATOM 102 N N . GLN A 1 14 ? 3.708 -1.549 -3.082 1.00 18.69 ? 34 GLN A N 1 ATOM 103 C CA . GLN A 1 14 ? 2.576 -2.112 -3.817 1.00 19.21 ? 34 GLN A CA 1 ATOM 104 C C . GLN A 1 14 ? 1.288 -1.373 -3.439 1.00 19.95 ? 34 GLN A C 1 ATOM 105 O O . GLN A 1 14 ? 0.448 -1.171 -4.315 1.00 19.19 ? 34 GLN A O 1 ATOM 106 C CB . GLN A 1 14 ? 2.419 -3.585 -3.584 1.00 17.77 ? 34 GLN A CB 1 ATOM 107 C CG . GLN A 1 14 ? 3.463 -4.436 -4.255 1.00 17.46 ? 34 GLN A CG 1 ATOM 108 C CD . GLN A 1 14 ? 3.258 -5.913 -4.007 1.00 16.94 ? 34 GLN A CD 1 ATOM 109 O OE1 . GLN A 1 14 ? 4.190 -6.716 -4.122 1.00 17.35 ? 34 GLN A OE1 1 ATOM 110 N NE2 . GLN A 1 14 ? 2.018 -6.291 -3.648 1.00 17.08 ? 34 GLN A NE2 1 ATOM 111 N N . SER A 1 15 ? 1.178 -0.924 -2.178 1.00 19.12 ? 35 SER A N 1 ATOM 112 C CA . SER A 1 15 ? 0.005 -0.202 -1.694 1.00 19.41 ? 35 SER A CA 1 ATOM 113 C C . SER A 1 15 ? -0.122 1.203 -2.182 1.00 19.64 ? 35 SER A C 1 ATOM 114 O O . SER A 1 15 ? -1.179 1.776 -2.005 1.00 21.09 ? 35 SER A O 1 ATOM 115 C CB . SER A 1 15 ? -0.080 -0.192 -0.152 1.00 21.77 ? 35 SER A CB 1 ATOM 116 O OG . SER A 1 15 ? -0.176 -1.521 0.347 1.00 22.92 ? 35 SER A OG 1 ATOM 117 N N . PHE A 1 16 ? 0.927 1.782 -2.756 1.00 19.23 ? 36 PHE A N 1 ATOM 118 C CA . PHE A 1 16 ? 0.900 3.209 -3.156 1.00 19.63 ? 36 PHE A CA 1 ATOM 119 C C . PHE A 1 16 ? 1.072 3.440 -4.630 1.00 19.20 ? 36 PHE A C 1 ATOM 120 O O . PHE A 1 16 ? 0.895 4.565 -5.074 1.00 19.34 ? 36 PHE A O 1 ATOM 121 C CB . PHE A 1 16 ? 1.975 4.057 -2.399 1.00 18.13 ? 36 PHE A CB 1 ATOM 122 C CG . PHE A 1 16 ? 1.650 4.263 -0.948 1.00 17.47 ? 36 PHE A CG 1 ATOM 123 C CD1 . PHE A 1 16 ? 0.833 5.312 -0.541 1.00 19.12 ? 36 PHE A CD1 1 ATOM 124 C CD2 . PHE A 1 16 ? 2.117 3.385 0.019 1.00 17.25 ? 36 PHE A CD2 1 ATOM 125 C CE1 . PHE A 1 16 ? 0.514 5.487 0.797 1.00 18.18 ? 36 PHE A CE1 1 ATOM 126 C CE2 . PHE A 1 16 ? 1.802 3.563 1.347 1.00 16.85 ? 36 PHE A CE2 1 ATOM 127 C CZ . PHE A 1 16 ? 0.994 4.608 1.727 1.00 17.41 ? 36 PHE A CZ 1 ATOM 128 N N . VAL A 1 17 ? 1.488 2.435 -5.378 1.00 19.50 ? 37 VAL A N 1 ATOM 129 C CA . VAL A 1 17 ? 1.623 2.620 -6.833 1.00 20.48 ? 37 VAL A CA 1 ATOM 130 C C . VAL A 1 17 ? 0.266 2.732 -7.532 1.00 20.78 ? 37 VAL A C 1 ATOM 131 O O . VAL A 1 17 ? -0.716 2.207 -7.086 1.00 20.30 ? 37 VAL A O 1 ATOM 132 C CB . VAL A 1 17 ? 2.496 1.551 -7.512 1.00 20.61 ? 37 VAL A CB 1 ATOM 133 C CG1 . VAL A 1 17 ? 3.940 1.689 -7.048 1.00 20.46 ? 37 VAL A CG1 1 ATOM 134 C CG2 . VAL A 1 17 ? 1.949 0.134 -7.282 1.00 21.76 ? 37 VAL A CG2 1 ATOM 135 N N . ALA A 1 18 ? 0.265 3.434 -8.646 1.00 23.11 ? 38 ALA A N 1 ATOM 136 C CA . ALA A 1 18 ? -0.895 3.547 -9.524 1.00 22.90 ? 38 ALA A CA 1 ATOM 137 C C . ALA A 1 18 ? -1.097 2.207 -10.212 1.00 21.90 ? 38 ALA A C 1 ATOM 138 O O . ALA A 1 18 ? -0.171 1.399 -10.337 1.00 18.90 ? 38 ALA A O 1 ATOM 139 C CB . ALA A 1 18 ? -0.630 4.652 -10.533 1.00 23.20 ? 38 ALA A CB 1 ATOM 140 N N . SER A 1 19 ? -2.312 1.948 -10.669 1.00 23.86 ? 39 SER A N 1 ATOM 141 C CA . SER A 1 19 ? -2.597 0.644 -11.294 1.00 24.89 ? 39 SER A CA 1 ATOM 142 C C . SER A 1 19 ? -1.831 0.427 -12.605 1.00 21.78 ? 39 SER A C 1 ATOM 143 O O . SER A 1 19 ? -1.443 -0.681 -12.868 1.00 23.64 ? 39 SER A O 1 ATOM 144 C CB . SER A 1 19 ? -4.107 0.456 -11.512 1.00 28.76 ? 39 SER A CB 1 ATOM 145 O OG . SER A 1 19 ? -4.489 1.279 -12.575 1.00 33.28 ? 39 SER A OG 1 ATOM 146 N N . SER A 1 20 ? -1.559 1.480 -13.370 1.00 21.91 ? 40 SER A N 1 ATOM 147 C CA . SER A 1 20 ? -0.681 1.383 -14.559 1.00 22.10 ? 40 SER A CA 1 ATOM 148 C C . SER A 1 20 ? 0.798 1.047 -14.196 1.00 21.62 ? 40 SER A C 1 ATOM 149 O O . SER A 1 20 ? 1.492 0.346 -14.922 1.00 19.70 ? 40 SER A O 1 ATOM 150 C CB A SER A 1 20 ? -0.724 2.674 -15.347 0.50 23.21 ? 40 SER A CB 1 ATOM 151 C CB B SER A 1 20 ? -0.732 2.657 -15.408 0.50 21.73 ? 40 SER A CB 1 ATOM 152 O OG A SER A 1 20 ? -1.982 2.805 -15.976 0.50 24.54 ? 40 SER A OG 1 ATOM 153 O OG B SER A 1 20 ? -0.642 3.855 -14.655 0.50 19.94 ? 40 SER A OG 1 ATOM 154 N N . THR A 1 21 ? 1.232 1.517 -13.037 1.00 21.01 ? 41 THR A N 1 ATOM 155 C CA . THR A 1 21 ? 2.548 1.194 -12.528 1.00 22.55 ? 41 THR A CA 1 ATOM 156 C C . THR A 1 21 ? 2.624 -0.290 -12.118 1.00 20.04 ? 41 THR A C 1 ATOM 157 O O . THR A 1 21 ? 3.544 -0.987 -12.473 1.00 20.65 ? 41 THR A O 1 ATOM 158 C CB . THR A 1 21 ? 2.887 2.120 -11.351 1.00 22.07 ? 41 THR A CB 1 ATOM 159 O OG1 . THR A 1 21 ? 2.784 3.482 -11.769 1.00 22.37 ? 41 THR A OG1 1 ATOM 160 C CG2 . THR A 1 21 ? 4.289 1.869 -10.862 1.00 20.65 ? 41 THR A CG2 1 ATOM 161 N N . GLU A 1 22 ? 1.590 -0.769 -11.460 1.00 20.49 ? 42 GLU A N 1 ATOM 162 C CA . GLU A 1 22 ? 1.454 -2.159 -11.099 1.00 21.64 ? 42 GLU A CA 1 ATOM 163 C C . GLU A 1 22 ? 1.530 -3.066 -12.326 1.00 21.00 ? 42 GLU A C 1 ATOM 164 O O . GLU A 1 22 ? 2.326 -3.988 -12.363 1.00 20.05 ? 42 GLU A O 1 ATOM 165 C CB A GLU A 1 22 ? 0.123 -2.373 -10.353 0.50 24.35 ? 42 GLU A CB 1 ATOM 166 C CB B GLU A 1 22 ? 0.118 -2.348 -10.351 0.50 23.63 ? 42 GLU A CB 1 ATOM 167 C CG A GLU A 1 22 ? -0.186 -3.826 -9.978 0.50 26.01 ? 42 GLU A CG 1 ATOM 168 C CG B GLU A 1 22 ? -0.366 -3.784 -10.170 0.50 24.60 ? 42 GLU A CG 1 ATOM 169 C CD A GLU A 1 22 ? -1.453 -3.964 -9.146 0.50 28.51 ? 42 GLU A CD 1 ATOM 170 C CD B GLU A 1 22 ? -1.581 -3.853 -9.255 0.50 26.24 ? 42 GLU A CD 1 ATOM 171 O OE1 A GLU A 1 22 ? -2.073 -2.913 -8.842 0.50 30.20 ? 42 GLU A OE1 1 ATOM 172 O OE1 B GLU A 1 22 ? -1.393 -3.767 -8.032 0.50 25.94 ? 42 GLU A OE1 1 ATOM 173 O OE2 A GLU A 1 22 ? -1.828 -5.122 -8.811 0.50 28.73 ? 42 GLU A OE2 1 ATOM 174 O OE2 B GLU A 1 22 ? -2.731 -3.976 -9.746 0.50 25.47 ? 42 GLU A OE2 1 ATOM 175 N N . SER A 1 23 ? 0.712 -2.771 -13.341 1.00 23.72 ? 43 SER A N 1 ATOM 176 C CA . SER A 1 23 ? 0.730 -3.522 -14.620 1.00 22.37 ? 43 SER A CA 1 ATOM 177 C C . SER A 1 23 ? 2.111 -3.429 -15.235 1.00 18.47 ? 43 SER A C 1 ATOM 178 O O . SER A 1 23 ? 2.641 -4.448 -15.630 1.00 18.46 ? 43 SER A O 1 ATOM 179 C CB . SER A 1 23 ? -0.294 -2.936 -15.640 1.00 24.51 ? 43 SER A CB 1 ATOM 180 O OG . SER A 1 23 ? -1.585 -2.748 -15.071 1.00 27.35 ? 43 SER A OG 1 ATOM 181 N N . PHE A 1 24 ? 2.663 -2.218 -15.301 1.00 17.56 ? 44 PHE A N 1 ATOM 182 C CA . PHE A 1 24 ? 4.040 -1.978 -15.817 1.00 18.03 ? 44 PHE A CA 1 ATOM 183 C C . PHE A 1 24 ? 5.048 -2.946 -15.196 1.00 19.76 ? 44 PHE A C 1 ATOM 184 O O . PHE A 1 24 ? 5.804 -3.645 -15.911 1.00 18.68 ? 44 PHE A O 1 ATOM 185 C CB . PHE A 1 24 ? 4.459 -0.549 -15.557 1.00 20.15 ? 44 PHE A CB 1 ATOM 186 C CG . PHE A 1 24 ? 5.890 -0.204 -15.995 1.00 22.00 ? 44 PHE A CG 1 ATOM 187 C CD1 . PHE A 1 24 ? 6.173 0.159 -17.310 1.00 23.09 ? 44 PHE A CD1 1 ATOM 188 C CD2 . PHE A 1 24 ? 6.921 -0.124 -15.062 1.00 22.19 ? 44 PHE A CD2 1 ATOM 189 C CE1 . PHE A 1 24 ? 7.460 0.537 -17.691 1.00 23.70 ? 44 PHE A CE1 1 ATOM 190 C CE2 . PHE A 1 24 ? 8.212 0.224 -15.448 1.00 23.70 ? 44 PHE A CE2 1 ATOM 191 C CZ . PHE A 1 24 ? 8.485 0.537 -16.765 1.00 22.88 ? 44 PHE A CZ 1 ATOM 192 N N . CYS A 1 25 ? 4.998 -3.040 -13.849 1.00 18.13 ? 45 CYS A N 1 ATOM 193 C CA . CYS A 1 25 ? 5.867 -3.968 -13.094 1.00 18.33 ? 45 CYS A CA 1 ATOM 194 C C . CYS A 1 25 ? 5.553 -5.455 -13.252 1.00 18.12 ? 45 CYS A C 1 ATOM 195 O O . CYS A 1 25 ? 6.470 -6.307 -13.467 1.00 17.90 ? 45 CYS A O 1 ATOM 196 C CB . CYS A 1 25 ? 5.908 -3.552 -11.573 1.00 18.33 ? 45 CYS A CB 1 ATOM 197 S SG . CYS A 1 25 ? 6.591 -1.908 -11.286 1.00 20.00 ? 45 CYS A SG 1 ATOM 198 N N . GLN A 1 26 ? 4.273 -5.801 -13.112 1.00 18.69 ? 46 GLN A N 1 ATOM 199 C CA . GLN A 1 26 ? 3.839 -7.176 -13.238 1.00 19.47 ? 46 GLN A CA 1 ATOM 200 C C . GLN A 1 26 ? 4.222 -7.725 -14.617 1.00 18.81 ? 46 GLN A C 1 ATOM 201 O O . GLN A 1 26 ? 4.697 -8.869 -14.715 1.00 18.74 ? 46 GLN A O 1 ATOM 202 C CB . GLN A 1 26 ? 2.343 -7.270 -13.006 1.00 21.34 ? 46 GLN A CB 1 ATOM 203 C CG . GLN A 1 26 ? 1.971 -7.069 -11.548 1.00 22.55 ? 46 GLN A CG 1 ATOM 204 C CD . GLN A 1 26 ? 0.461 -7.237 -11.329 1.00 25.74 ? 46 GLN A CD 1 ATOM 205 O OE1 . GLN A 1 26 ? -0.335 -6.882 -12.175 1.00 25.45 ? 46 GLN A OE1 1 ATOM 206 N NE2 . GLN A 1 26 ? 0.081 -7.749 -10.172 1.00 25.79 ? 46 GLN A NE2 1 ATOM 207 N N . ASN A 1 27 ? 4.131 -6.890 -15.646 1.00 19.21 ? 47 ASN A N 1 ATOM 208 C CA . ASN A 1 27 ? 4.471 -7.333 -17.018 1.00 21.34 ? 47 ASN A CA 1 ATOM 209 C C . ASN A 1 27 ? 5.977 -7.639 -17.160 1.00 22.02 ? 47 ASN A C 1 ATOM 210 O O . ASN A 1 27 ? 6.353 -8.705 -17.627 1.00 21.90 ? 47 ASN A O 1 ATOM 211 C CB . ASN A 1 27 ? 4.006 -6.305 -18.055 1.00 22.66 ? 47 ASN A CB 1 ATOM 212 C CG . ASN A 1 27 ? 4.242 -6.758 -19.498 1.00 23.44 ? 47 ASN A CG 1 ATOM 213 O OD1 . ASN A 1 27 ? 4.922 -6.079 -20.288 1.00 26.91 ? 47 ASN A OD1 1 ATOM 214 N ND2 . ASN A 1 27 ? 3.686 -7.872 -19.849 1.00 23.71 ? 47 ASN A ND2 1 ATOM 215 N N . ILE A 1 28 ? 6.828 -6.735 -16.670 1.00 21.12 ? 48 ILE A N 1 ATOM 216 C CA . ILE A 1 28 ? 8.253 -6.974 -16.636 1.00 21.94 ? 48 ILE A CA 1 ATOM 217 C C . ILE A 1 28 ? 8.627 -8.236 -15.856 1.00 21.20 ? 48 ILE A C 1 ATOM 218 O O . ILE A 1 28 ? 9.499 -9.026 -16.268 1.00 18.88 ? 48 ILE A O 1 ATOM 219 C CB . ILE A 1 28 ? 9.003 -5.740 -16.059 1.00 23.60 ? 48 ILE A CB 1 ATOM 220 C CG1 . ILE A 1 28 ? 8.906 -4.602 -17.097 1.00 23.18 ? 48 ILE A CG1 1 ATOM 221 C CG2 . ILE A 1 28 ? 10.461 -6.083 -15.751 1.00 23.43 ? 48 ILE A CG2 1 ATOM 222 C CD1 . ILE A 1 28 ? 9.294 -3.243 -16.607 1.00 22.94 ? 48 ILE A CD1 1 ATOM 223 N N . LEU A 1 29 ? 8.023 -8.383 -14.689 1.00 21.02 ? 49 LEU A N 1 ATOM 224 C CA . LEU A 1 29 ? 8.394 -9.452 -13.787 1.00 21.62 ? 49 LEU A CA 1 ATOM 225 C C . LEU A 1 29 ? 7.741 -10.795 -14.169 1.00 24.53 ? 49 LEU A C 1 ATOM 226 O O . LEU A 1 29 ? 8.107 -11.824 -13.616 1.00 23.85 ? 49 LEU A O 1 ATOM 227 C CB . LEU A 1 29 ? 8.019 -9.045 -12.342 1.00 24.41 ? 49 LEU A CB 1 ATOM 228 C CG . LEU A 1 29 ? 8.629 -7.760 -11.771 1.00 24.18 ? 49 LEU A CG 1 ATOM 229 C CD1 . LEU A 1 29 ? 7.990 -7.320 -10.468 1.00 24.73 ? 49 LEU A CD1 1 ATOM 230 C CD2 . LEU A 1 29 ? 10.139 -7.918 -11.602 1.00 25.72 ? 49 LEU A CD2 1 ATOM 231 N N . GLY A 1 30 ? 6.759 -10.791 -15.080 1.00 23.99 ? 50 GLY A N 1 ATOM 232 C CA . GLY A 1 30 ? 6.023 -12.009 -15.406 1.00 23.79 ? 50 GLY A CA 1 ATOM 233 C C . GLY A 1 30 ? 5.253 -12.543 -14.188 1.00 25.16 ? 50 GLY A C 1 ATOM 234 O O . GLY A 1 30 ? 5.178 -13.740 -13.964 1.00 23.47 ? 50 GLY A O 1 ATOM 235 N N . ASP A 1 31 ? 4.699 -11.657 -13.374 1.00 25.72 ? 51 ASP A N 1 ATOM 236 C CA . ASP A 1 31 ? 4.112 -12.100 -12.113 1.00 26.32 ? 51 ASP A CA 1 ATOM 237 C C . ASP A 1 31 ? 2.910 -11.241 -11.932 1.00 25.20 ? 51 ASP A C 1 ATOM 238 O O . ASP A 1 31 ? 3.058 -10.050 -11.792 1.00 25.26 ? 51 ASP A O 1 ATOM 239 C CB . ASP A 1 31 ? 5.127 -12.005 -10.956 1.00 25.92 ? 51 ASP A CB 1 ATOM 240 C CG . ASP A 1 31 ? 4.528 -12.377 -9.578 1.00 26.35 ? 51 ASP A CG 1 ATOM 241 O OD1 . ASP A 1 31 ? 3.299 -12.454 -9.423 1.00 26.91 ? 51 ASP A OD1 1 ATOM 242 O OD2 . ASP A 1 31 ? 5.299 -12.537 -8.614 1.00 24.74 ? 51 ASP A OD2 1 ATOM 243 N N . ASP A 1 32 ? 1.720 -11.851 -11.979 1.00 28.43 ? 52 ASP A N 1 ATOM 244 C CA . ASP A 1 32 ? 0.444 -11.127 -11.728 1.00 30.66 ? 52 ASP A CA 1 ATOM 245 C C . ASP A 1 32 ? -0.123 -11.362 -10.331 1.00 27.26 ? 52 ASP A C 1 ATOM 246 O O . ASP A 1 32 ? -1.254 -10.980 -10.059 1.00 29.09 ? 52 ASP A O 1 ATOM 247 C CB . ASP A 1 32 ? -0.629 -11.387 -12.829 1.00 35.76 ? 52 ASP A CB 1 ATOM 248 C CG . ASP A 1 32 ? -0.964 -12.869 -13.033 1.00 41.38 ? 52 ASP A CG 1 ATOM 249 O OD1 . ASP A 1 32 ? -0.796 -13.729 -12.132 1.00 42.39 ? 52 ASP A OD1 1 ATOM 250 O OD2 . ASP A 1 32 ? -1.410 -13.187 -14.159 1.00 56.65 ? 52 ASP A OD2 1 ATOM 251 N N . SER A 1 33 ? 0.658 -11.954 -9.436 1.00 24.85 ? 53 SER A N 1 ATOM 252 C CA . SER A 1 33 ? 0.214 -12.102 -8.034 1.00 26.61 ? 53 SER A CA 1 ATOM 253 C C . SER A 1 33 ? 0.126 -10.768 -7.276 1.00 25.62 ? 53 SER A C 1 ATOM 254 O O . SER A 1 33 ? 0.717 -9.775 -7.649 1.00 25.58 ? 53 SER A O 1 ATOM 255 C CB . SER A 1 33 ? 1.119 -13.086 -7.282 1.00 25.71 ? 53 SER A CB 1 ATOM 256 O OG . SER A 1 33 ? 2.375 -12.532 -6.955 1.00 23.95 ? 53 SER A OG 1 ATOM 257 N N . THR A 1 34 ? -0.609 -10.777 -6.189 1.00 24.88 ? 54 THR A N 1 ATOM 258 C CA . THR A 1 34 ? -0.626 -9.671 -5.254 1.00 25.39 ? 54 THR A CA 1 ATOM 259 C C . THR A 1 34 ? 0.685 -9.637 -4.398 1.00 23.06 ? 54 THR A C 1 ATOM 260 O O . THR A 1 34 ? 0.732 -8.944 -3.407 1.00 22.38 ? 54 THR A O 1 ATOM 261 C CB . THR A 1 34 ? -1.812 -9.808 -4.273 1.00 26.84 ? 54 THR A CB 1 ATOM 262 O OG1 . THR A 1 34 ? -1.756 -11.106 -3.670 1.00 26.46 ? 54 THR A OG1 1 ATOM 263 C CG2 . THR A 1 34 ? -3.160 -9.630 -4.964 1.00 30.47 ? 54 THR A CG2 1 ATOM 264 N N . SER A 1 35 ? 1.724 -10.405 -4.755 1.00 23.06 ? 55 SER A N 1 ATOM 265 C CA . SER A 1 35 ? 3.039 -10.257 -4.145 1.00 20.00 ? 55 SER A CA 1 ATOM 266 C C . SER A 1 35 ? 4.100 -9.937 -5.159 1.00 18.45 ? 55 SER A C 1 ATOM 267 O O . SER A 1 35 ? 5.272 -10.179 -4.921 1.00 18.50 ? 55 SER A O 1 ATOM 268 C CB . SER A 1 35 ? 3.373 -11.557 -3.440 1.00 20.69 ? 55 SER A CB 1 ATOM 269 O OG . SER A 1 35 ? 2.529 -11.725 -2.329 1.00 19.41 ? 55 SER A OG 1 ATOM 270 N N . TYR A 1 36 ? 3.709 -9.420 -6.316 1.00 18.03 ? 56 TYR A N 1 ATOM 271 C CA . TYR A 1 36 ? 4.654 -9.254 -7.421 1.00 17.68 ? 56 TYR A CA 1 ATOM 272 C C . TYR A 1 36 ? 6.013 -8.557 -7.059 1.00 18.52 ? 56 TYR A C 1 ATOM 273 O O . TYR A 1 36 ? 7.115 -9.006 -7.466 1.00 19.39 ? 56 TYR A O 1 ATOM 274 C CB . TYR A 1 36 ? 3.957 -8.524 -8.593 1.00 18.44 ? 56 TYR A CB 1 ATOM 275 C CG . TYR A 1 36 ? 3.543 -7.118 -8.391 1.00 18.17 ? 56 TYR A CG 1 ATOM 276 C CD1 . TYR A 1 36 ? 2.415 -6.810 -7.703 1.00 18.62 ? 56 TYR A CD1 1 ATOM 277 C CD2 . TYR A 1 36 ? 4.276 -6.078 -8.926 1.00 18.25 ? 56 TYR A CD2 1 ATOM 278 C CE1 . TYR A 1 36 ? 2.018 -5.509 -7.511 1.00 19.95 ? 56 TYR A CE1 1 ATOM 279 C CE2 . TYR A 1 36 ? 3.845 -4.790 -8.788 1.00 17.29 ? 56 TYR A CE2 1 ATOM 280 C CZ . TYR A 1 36 ? 2.758 -4.493 -8.045 1.00 19.47 ? 56 TYR A CZ 1 ATOM 281 O OH . TYR A 1 36 ? 2.339 -3.179 -7.840 1.00 17.11 ? 56 TYR A OH 1 ATOM 282 N N . LEU A 1 37 ? 5.953 -7.458 -6.328 1.00 17.83 ? 57 LEU A N 1 ATOM 283 C CA . LEU A 1 37 ? 7.225 -6.788 -5.885 1.00 20.20 ? 57 LEU A CA 1 ATOM 284 C C . LEU A 1 37 ? 7.862 -7.577 -4.771 1.00 19.27 ? 57 LEU A C 1 ATOM 285 O O . LEU A 1 37 ? 9.044 -7.827 -4.812 1.00 20.08 ? 57 LEU A O 1 ATOM 286 C CB . LEU A 1 37 ? 7.033 -5.331 -5.432 1.00 20.62 ? 57 LEU A CB 1 ATOM 287 C CG . LEU A 1 37 ? 6.426 -4.368 -6.456 1.00 21.01 ? 57 LEU A CG 1 ATOM 288 C CD1 . LEU A 1 37 ? 6.492 -2.932 -5.950 1.00 21.54 ? 57 LEU A CD1 1 ATOM 289 C CD2 . LEU A 1 37 ? 7.170 -4.527 -7.764 1.00 20.13 ? 57 LEU A CD2 1 ATOM 290 N N . ALA A 1 38 ? 7.078 -7.948 -3.779 1.00 18.99 ? 58 ALA A N 1 ATOM 291 C CA . ALA A 1 38 ? 7.624 -8.703 -2.639 1.00 20.97 ? 58 ALA A CA 1 ATOM 292 C C . ALA A 1 38 ? 8.373 -9.977 -3.056 1.00 20.82 ? 58 ALA A C 1 ATOM 293 O O . ALA A 1 38 ? 9.405 -10.336 -2.450 1.00 20.58 ? 58 ALA A O 1 ATOM 294 C CB . ALA A 1 38 ? 6.552 -8.985 -1.627 1.00 20.38 ? 58 ALA A CB 1 ATOM 295 N N . ASN A 1 39 ? 7.931 -10.599 -4.160 1.00 20.85 ? 59 ASN A N 1 ATOM 296 C CA . ASN A 1 39 ? 8.482 -11.886 -4.585 1.00 20.25 ? 59 ASN A CA 1 ATOM 297 C C . ASN A 1 39 ? 9.868 -11.756 -5.152 1.00 19.58 ? 59 ASN A C 1 ATOM 298 O O . ASN A 1 39 ? 10.582 -12.750 -5.192 1.00 21.66 ? 59 ASN A O 1 ATOM 299 C CB . ASN A 1 39 ? 7.594 -12.558 -5.668 1.00 22.97 ? 59 ASN A CB 1 ATOM 300 C CG . ASN A 1 39 ? 6.355 -13.266 -5.093 1.00 24.17 ? 59 ASN A CG 1 ATOM 301 O OD1 . ASN A 1 39 ? 6.297 -13.600 -3.908 1.00 26.78 ? 59 ASN A OD1 1 ATOM 302 N ND2 . ASN A 1 39 ? 5.360 -13.493 -5.954 1.00 24.20 ? 59 ASN A ND2 1 ATOM 303 N N . VAL A 1 40 ? 10.210 -10.558 -5.634 1.00 18.17 ? 60 VAL A N 1 ATOM 304 C CA . VAL A 1 40 ? 11.520 -10.290 -6.233 1.00 20.28 ? 60 VAL A CA 1 ATOM 305 C C . VAL A 1 40 ? 12.388 -9.381 -5.336 1.00 18.97 ? 60 VAL A C 1 ATOM 306 O O . VAL A 1 40 ? 13.509 -9.135 -5.661 1.00 20.05 ? 60 VAL A O 1 ATOM 307 C CB . VAL A 1 40 ? 11.397 -9.640 -7.623 1.00 20.24 ? 60 VAL A CB 1 ATOM 308 C CG1 . VAL A 1 40 ? 10.674 -10.606 -8.542 1.00 22.90 ? 60 VAL A CG1 1 ATOM 309 C CG2 . VAL A 1 40 ? 10.675 -8.270 -7.544 1.00 21.21 ? 60 VAL A CG2 1 ATOM 310 N N . ALA A 1 41 ? 11.884 -8.985 -4.182 1.00 19.16 ? 61 ALA A N 1 ATOM 311 C CA . ALA A 1 41 ? 12.527 -7.976 -3.366 1.00 19.97 ? 61 ALA A CA 1 ATOM 312 C C . ALA A 1 41 ? 13.855 -8.467 -2.747 1.00 20.17 ? 61 ALA A C 1 ATOM 313 O O . ALA A 1 41 ? 14.635 -7.624 -2.307 1.00 21.37 ? 61 ALA A O 1 ATOM 314 C CB . ALA A 1 41 ? 11.574 -7.467 -2.275 1.00 18.57 ? 61 ALA A CB 1 ATOM 315 N N . THR A 1 42 ? 14.088 -9.777 -2.675 1.00 18.66 ? 62 THR A N 1 ATOM 316 C CA . THR A 1 42 ? 15.343 -10.328 -2.069 1.00 19.98 ? 62 THR A CA 1 ATOM 317 C C . THR A 1 42 ? 16.296 -10.858 -3.108 1.00 17.99 ? 62 THR A C 1 ATOM 318 O O . THR A 1 42 ? 17.412 -11.287 -2.767 1.00 17.56 ? 62 THR A O 1 ATOM 319 C CB . THR A 1 42 ? 15.050 -11.457 -1.072 1.00 20.79 ? 62 THR A CB 1 ATOM 320 O OG1 . THR A 1 42 ? 14.528 -12.550 -1.816 1.00 21.31 ? 62 THR A OG1 1 ATOM 321 C CG2 . THR A 1 42 ? 13.966 -11.054 -0.086 1.00 21.69 ? 62 THR A CG2 1 ATOM 322 N N . TRP A 1 43 ? 15.884 -10.818 -4.385 1.00 17.19 ? 63 TRP A N 1 ATOM 323 C CA . TRP A 1 43 ? 16.626 -11.461 -5.443 1.00 16.25 ? 63 TRP A CA 1 ATOM 324 C C . TRP A 1 43 ? 18.063 -10.942 -5.468 1.00 16.74 ? 63 TRP A C 1 ATOM 325 O O . TRP A 1 43 ? 19.026 -11.708 -5.633 1.00 18.84 ? 63 TRP A O 1 ATOM 326 C CB . TRP A 1 43 ? 15.926 -11.324 -6.842 1.00 16.02 ? 63 TRP A CB 1 ATOM 327 C CG . TRP A 1 43 ? 16.829 -11.710 -7.950 1.00 17.28 ? 63 TRP A CG 1 ATOM 328 C CD1 . TRP A 1 43 ? 17.053 -12.953 -8.441 1.00 17.84 ? 63 TRP A CD1 1 ATOM 329 C CD2 . TRP A 1 43 ? 17.695 -10.828 -8.695 1.00 19.51 ? 63 TRP A CD2 1 ATOM 330 N NE1 . TRP A 1 43 ? 17.995 -12.923 -9.441 1.00 18.29 ? 63 TRP A NE1 1 ATOM 331 C CE2 . TRP A 1 43 ? 18.409 -11.636 -9.635 1.00 19.24 ? 63 TRP A CE2 1 ATOM 332 C CE3 . TRP A 1 43 ? 17.944 -9.449 -8.655 1.00 20.40 ? 63 TRP A CE3 1 ATOM 333 C CZ2 . TRP A 1 43 ? 19.366 -11.100 -10.530 1.00 20.56 ? 63 TRP A CZ2 1 ATOM 334 C CZ3 . TRP A 1 43 ? 18.897 -8.894 -9.589 1.00 20.55 ? 63 TRP A CZ3 1 ATOM 335 C CH2 . TRP A 1 43 ? 19.581 -9.729 -10.501 1.00 20.26 ? 63 TRP A CH2 1 ATOM 336 N N . ALA A 1 44 ? 18.250 -9.638 -5.317 1.00 16.47 ? 64 ALA A N 1 ATOM 337 C CA . ALA A 1 44 ? 19.601 -9.103 -5.423 1.00 16.27 ? 64 ALA A CA 1 ATOM 338 C C . ALA A 1 44 ? 20.563 -9.667 -4.353 1.00 15.70 ? 64 ALA A C 1 ATOM 339 O O . ALA A 1 44 ? 21.771 -9.803 -4.621 1.00 15.08 ? 64 ALA A O 1 ATOM 340 C CB . ALA A 1 44 ? 19.579 -7.581 -5.432 1.00 16.97 ? 64 ALA A CB 1 ATOM 341 N N . ASP A 1 45 ? 20.026 -10.059 -3.206 1.00 14.69 ? 65 ASP A N 1 ATOM 342 C CA . ASP A 1 45 ? 20.786 -10.647 -2.121 1.00 16.77 ? 65 ASP A CA 1 ATOM 343 C C . ASP A 1 45 ? 21.222 -12.119 -2.433 1.00 19.87 ? 65 ASP A C 1 ATOM 344 O O . ASP A 1 45 ? 22.301 -12.514 -2.040 1.00 21.45 ? 65 ASP A O 1 ATOM 345 C CB . ASP A 1 45 ? 20.062 -10.575 -0.765 1.00 16.81 ? 65 ASP A CB 1 ATOM 346 C CG . ASP A 1 45 ? 20.284 -9.233 -0.037 1.00 18.82 ? 65 ASP A CG 1 ATOM 347 O OD1 . ASP A 1 45 ? 21.128 -8.389 -0.475 1.00 14.60 ? 65 ASP A OD1 1 ATOM 348 O OD2 . ASP A 1 45 ? 19.567 -9.012 0.990 1.00 21.31 ? 65 ASP A OD2 1 ATOM 349 N N . THR A 1 46 ? 20.438 -12.831 -3.223 1.00 18.93 ? 66 THR A N 1 ATOM 350 C CA . THR A 1 46 ? 20.893 -14.074 -3.867 1.00 19.89 ? 66 THR A CA 1 ATOM 351 C C . THR A 1 46 ? 21.955 -13.867 -4.930 1.00 18.88 ? 66 THR A C 1 ATOM 352 O O . THR A 1 46 ? 22.998 -14.525 -4.947 1.00 19.93 ? 66 THR A O 1 ATOM 353 C CB . THR A 1 46 ? 19.654 -14.782 -4.444 1.00 21.76 ? 66 THR A CB 1 ATOM 354 O OG1 . THR A 1 46 ? 18.922 -15.287 -3.337 1.00 19.01 ? 66 THR A OG1 1 ATOM 355 C CG2 . THR A 1 46 ? 19.996 -15.922 -5.399 1.00 21.84 ? 66 THR A CG2 1 ATOM 356 N N . TYR A 1 47 ? 21.665 -12.970 -5.842 1.00 18.41 ? 67 TYR A N 1 ATOM 357 C CA . TYR A 1 47 ? 22.479 -12.786 -7.014 1.00 19.14 ? 67 TYR A CA 1 ATOM 358 C C . TYR A 1 47 ? 23.908 -12.397 -6.674 1.00 20.46 ? 67 TYR A C 1 ATOM 359 O O . TYR A 1 47 ? 24.851 -12.848 -7.309 1.00 18.66 ? 67 TYR A O 1 ATOM 360 C CB . TYR A 1 47 ? 21.839 -11.701 -7.878 1.00 20.39 ? 67 TYR A CB 1 ATOM 361 C CG . TYR A 1 47 ? 22.472 -11.447 -9.229 1.00 22.22 ? 67 TYR A CG 1 ATOM 362 C CD1 . TYR A 1 47 ? 22.619 -12.483 -10.165 1.00 21.42 ? 67 TYR A CD1 1 ATOM 363 C CD2 . TYR A 1 47 ? 22.886 -10.177 -9.578 1.00 23.42 ? 67 TYR A CD2 1 ATOM 364 C CE1 . TYR A 1 47 ? 23.172 -12.250 -11.413 1.00 25.96 ? 67 TYR A CE1 1 ATOM 365 C CE2 . TYR A 1 47 ? 23.423 -9.921 -10.825 1.00 27.39 ? 67 TYR A CE2 1 ATOM 366 C CZ . TYR A 1 47 ? 23.566 -10.953 -11.747 1.00 27.71 ? 67 TYR A CZ 1 ATOM 367 O OH . TYR A 1 47 ? 24.110 -10.641 -12.965 1.00 27.83 ? 67 TYR A OH 1 ATOM 368 N N . LYS A 1 48 ? 24.070 -11.564 -5.638 1.00 19.78 ? 68 LYS A N 1 ATOM 369 C CA . LYS A 1 48 ? 25.410 -11.142 -5.257 1.00 21.42 ? 68 LYS A CA 1 ATOM 370 C C . LYS A 1 48 ? 26.324 -12.267 -4.741 1.00 21.71 ? 68 LYS A C 1 ATOM 371 O O . LYS A 1 48 ? 27.524 -12.076 -4.677 1.00 21.20 ? 68 LYS A O 1 ATOM 372 C CB . LYS A 1 48 ? 25.315 -9.981 -4.228 1.00 21.13 ? 68 LYS A CB 1 ATOM 373 C CG . LYS A 1 48 ? 25.040 -10.442 -2.829 1.00 20.47 ? 68 LYS A CG 1 ATOM 374 C CD . LYS A 1 48 ? 24.732 -9.282 -1.943 1.00 23.04 ? 68 LYS A CD 1 ATOM 375 C CE . LYS A 1 48 ? 24.473 -9.690 -0.511 1.00 23.68 ? 68 LYS A CE 1 ATOM 376 N NZ . LYS A 1 48 ? 23.920 -8.530 0.212 1.00 26.78 ? 68 LYS A NZ 1 ATOM 377 N N . TYR A 1 49 ? 25.744 -13.398 -4.320 1.00 22.90 ? 69 TYR A N 1 ATOM 378 C CA . TYR A 1 49 ? 26.510 -14.561 -3.842 1.00 23.12 ? 69 TYR A CA 1 ATOM 379 C C . TYR A 1 49 ? 26.774 -15.642 -4.890 1.00 25.36 ? 69 TYR A C 1 ATOM 380 O O . TYR A 1 49 ? 27.280 -16.716 -4.552 1.00 24.55 ? 69 TYR A O 1 ATOM 381 C CB . TYR A 1 49 ? 25.792 -15.187 -2.636 1.00 23.86 ? 69 TYR A CB 1 ATOM 382 C CG . TYR A 1 49 ? 25.825 -14.346 -1.407 1.00 24.52 ? 69 TYR A CG 1 ATOM 383 C CD1 . TYR A 1 49 ? 27.018 -13.916 -0.869 1.00 25.47 ? 69 TYR A CD1 1 ATOM 384 C CD2 . TYR A 1 49 ? 24.660 -13.945 -0.791 1.00 25.14 ? 69 TYR A CD2 1 ATOM 385 C CE1 . TYR A 1 49 ? 27.032 -13.121 0.266 1.00 27.47 ? 69 TYR A CE1 1 ATOM 386 C CE2 . TYR A 1 49 ? 24.674 -13.162 0.351 1.00 24.52 ? 69 TYR A CE2 1 ATOM 387 C CZ . TYR A 1 49 ? 25.859 -12.754 0.868 1.00 27.16 ? 69 TYR A CZ 1 ATOM 388 O OH . TYR A 1 49 ? 25.888 -11.973 2.019 1.00 32.67 ? 69 TYR A OH 1 ATOM 389 N N . THR A 1 50 ? 26.397 -15.356 -6.137 1.00 26.52 ? 70 THR A N 1 ATOM 390 C CA . THR A 1 50 ? 26.641 -16.221 -7.288 1.00 26.02 ? 70 THR A CA 1 ATOM 391 C C . THR A 1 50 ? 27.914 -15.693 -7.970 1.00 29.06 ? 70 THR A C 1 ATOM 392 O O . THR A 1 50 ? 28.282 -14.493 -7.807 1.00 24.82 ? 70 THR A O 1 ATOM 393 C CB . THR A 1 50 ? 25.433 -16.270 -8.256 1.00 24.29 ? 70 THR A CB 1 ATOM 394 O OG1 . THR A 1 50 ? 25.214 -15.011 -8.936 1.00 23.34 ? 70 THR A OG1 1 ATOM 395 C CG2 . THR A 1 50 ? 24.147 -16.691 -7.516 1.00 23.02 ? 70 THR A CG2 1 ATOM 396 N N . ASP A 1 51 ? 28.570 -16.558 -8.744 1.00 28.72 ? 71 ASP A N 1 ATOM 397 C CA . ASP A 1 51 ? 29.758 -16.135 -9.502 1.00 28.39 ? 71 ASP A CA 1 ATOM 398 C C . ASP A 1 51 ? 29.337 -15.020 -10.464 1.00 28.45 ? 71 ASP A C 1 ATOM 399 O O . ASP A 1 51 ? 30.049 -14.007 -10.580 1.00 29.50 ? 71 ASP A O 1 ATOM 400 C CB . ASP A 1 51 ? 30.377 -17.228 -10.356 1.00 29.56 ? 71 ASP A CB 1 ATOM 401 C CG . ASP A 1 51 ? 30.957 -18.405 -9.562 1.00 32.18 ? 71 ASP A CG 1 ATOM 402 O OD1 . ASP A 1 51 ? 31.395 -18.329 -8.369 1.00 27.00 ? 71 ASP A OD1 1 ATOM 403 O OD2 . ASP A 1 51 ? 31.029 -19.441 -10.249 1.00 33.73 ? 71 ASP A OD2 1 ATOM 404 N N . ALA A 1 52 ? 28.210 -15.199 -11.136 1.00 24.55 ? 72 ALA A N 1 ATOM 405 C CA . ALA A 1 52 ? 27.807 -14.253 -12.164 1.00 28.31 ? 72 ALA A CA 1 ATOM 406 C C . ALA A 1 52 ? 27.382 -12.897 -11.588 1.00 27.58 ? 72 ALA A C 1 ATOM 407 O O . ALA A 1 52 ? 27.426 -11.916 -12.301 1.00 25.00 ? 72 ALA A O 1 ATOM 408 C CB . ALA A 1 52 ? 26.668 -14.824 -13.024 1.00 29.60 ? 72 ALA A CB 1 ATOM 409 N N . GLY A 1 53 ? 26.921 -12.883 -10.328 1.00 26.73 ? 73 GLY A N 1 ATOM 410 C CA . GLY A 1 53 ? 26.394 -11.669 -9.712 1.00 26.23 ? 73 GLY A CA 1 ATOM 411 C C . GLY A 1 53 ? 27.319 -11.056 -8.671 1.00 26.46 ? 73 GLY A C 1 ATOM 412 O O . GLY A 1 53 ? 26.912 -10.088 -8.029 1.00 25.04 ? 73 GLY A O 1 ATOM 413 N N . GLU A 1 54 ? 28.535 -11.613 -8.504 1.00 26.35 ? 74 GLU A N 1 ATOM 414 C CA . GLU A 1 54 ? 29.529 -11.153 -7.507 1.00 28.57 ? 74 GLU A CA 1 ATOM 415 C C . GLU A 1 54 ? 29.813 -9.607 -7.628 1.00 26.89 ? 74 GLU A C 1 ATOM 416 O O . GLU A 1 54 ? 29.973 -8.901 -6.597 1.00 23.43 ? 74 GLU A O 1 ATOM 417 C CB . GLU A 1 54 ? 30.861 -11.929 -7.642 1.00 29.01 ? 74 GLU A CB 1 ATOM 418 C CG . GLU A 1 54 ? 31.802 -11.747 -6.443 1.00 32.38 ? 74 GLU A CG 1 ATOM 419 C CD . GLU A 1 54 ? 33.266 -12.056 -6.720 0.50 32.44 ? 74 GLU A CD 1 ATOM 420 O OE1 . GLU A 1 54 ? 34.133 -11.495 -6.000 0.50 31.49 ? 74 GLU A OE1 1 ATOM 421 O OE2 . GLU A 1 54 ? 33.548 -12.857 -7.634 0.50 28.45 ? 74 GLU A OE2 1 ATOM 422 N N . PHE A 1 55 ? 29.856 -9.149 -8.879 1.00 23.20 ? 75 PHE A N 1 ATOM 423 C CA . PHE A 1 55 ? 30.109 -7.759 -9.254 1.00 23.67 ? 75 PHE A CA 1 ATOM 424 C C . PHE A 1 55 ? 29.123 -6.742 -8.674 1.00 23.39 ? 75 PHE A C 1 ATOM 425 O O . PHE A 1 55 ? 29.485 -5.554 -8.558 1.00 21.17 ? 75 PHE A O 1 ATOM 426 C CB . PHE A 1 55 ? 30.136 -7.597 -10.785 1.00 23.11 ? 75 PHE A CB 1 ATOM 427 C CG . PHE A 1 55 ? 28.791 -7.495 -11.410 1.00 24.85 ? 75 PHE A CG 1 ATOM 428 C CD1 . PHE A 1 55 ? 28.166 -6.244 -11.569 1.00 26.44 ? 75 PHE A CD1 1 ATOM 429 C CD2 . PHE A 1 55 ? 28.099 -8.639 -11.819 1.00 24.54 ? 75 PHE A CD2 1 ATOM 430 C CE1 . PHE A 1 55 ? 26.885 -6.151 -12.113 1.00 25.50 ? 75 PHE A CE1 1 ATOM 431 C CE2 . PHE A 1 55 ? 26.837 -8.535 -12.350 1.00 25.19 ? 75 PHE A CE2 1 ATOM 432 C CZ . PHE A 1 55 ? 26.223 -7.291 -12.494 1.00 25.25 ? 75 PHE A CZ 1 ATOM 433 N N . SER A 1 56 ? 27.888 -7.203 -8.406 1.00 20.75 ? 76 SER A N 1 ATOM 434 C CA . SER A 1 56 ? 26.830 -6.429 -7.803 1.00 20.61 ? 76 SER A CA 1 ATOM 435 C C . SER A 1 56 ? 26.869 -6.295 -6.269 1.00 19.29 ? 76 SER A C 1 ATOM 436 O O . SER A 1 56 ? 26.029 -5.599 -5.740 1.00 18.34 ? 76 SER A O 1 ATOM 437 C CB . SER A 1 56 ? 25.453 -7.009 -8.236 1.00 20.92 ? 76 SER A CB 1 ATOM 438 O OG . SER A 1 56 ? 25.231 -8.344 -7.766 1.00 20.32 ? 76 SER A OG 1 ATOM 439 N N . LYS A 1 57 ? 27.796 -6.947 -5.565 1.00 19.30 ? 77 LYS A N 1 ATOM 440 C CA . LYS A 1 57 ? 27.858 -6.830 -4.090 1.00 20.83 ? 77 LYS A CA 1 ATOM 441 C C . LYS A 1 57 ? 27.932 -5.350 -3.572 1.00 19.19 ? 77 LYS A C 1 ATOM 442 O O . LYS A 1 57 ? 27.230 -4.999 -2.652 1.00 18.64 ? 77 LYS A O 1 ATOM 443 C CB . LYS A 1 57 ? 29.066 -7.558 -3.511 1.00 22.33 ? 77 LYS A CB 1 ATOM 444 C CG . LYS A 1 57 ? 28.945 -9.071 -3.392 1.00 26.14 ? 77 LYS A CG 1 ATOM 445 C CD . LYS A 1 57 ? 30.214 -9.586 -2.742 1.00 29.42 ? 77 LYS A CD 1 ATOM 446 C CE . LYS A 1 57 ? 30.542 -11.026 -3.148 1.00 35.88 ? 77 LYS A CE 1 ATOM 447 N NZ . LYS A 1 57 ? 30.036 -12.018 -2.147 1.00 36.47 ? 77 LYS A NZ 1 ATOM 448 N N . PRO A 1 58 ? 28.782 -4.510 -4.182 1.00 18.59 ? 78 PRO A N 1 ATOM 449 C CA . PRO A 1 58 ? 28.867 -3.128 -3.724 1.00 19.39 ? 78 PRO A CA 1 ATOM 450 C C . PRO A 1 58 ? 27.618 -2.277 -3.976 1.00 18.16 ? 78 PRO A C 1 ATOM 451 O O . PRO A 1 58 ? 27.474 -1.211 -3.342 1.00 15.76 ? 78 PRO A O 1 ATOM 452 C CB . PRO A 1 58 ? 30.040 -2.533 -4.535 1.00 19.23 ? 78 PRO A CB 1 ATOM 453 C CG . PRO A 1 58 ? 30.629 -3.673 -5.288 1.00 19.84 ? 78 PRO A CG 1 ATOM 454 C CD . PRO A 1 58 ? 29.627 -4.739 -5.369 1.00 18.46 ? 78 PRO A CD 1 ATOM 455 N N . TYR A 1 59 ? 26.716 -2.751 -4.853 1.00 17.42 ? 79 TYR A N 1 ATOM 456 C CA . TYR A 1 59 ? 25.476 -2.015 -5.169 1.00 16.52 ? 79 TYR A CA 1 ATOM 457 C C . TYR A 1 59 ? 24.510 -1.954 -4.025 1.00 16.95 ? 79 TYR A C 1 ATOM 458 O O . TYR A 1 59 ? 23.504 -1.240 -4.110 1.00 15.92 ? 79 TYR A O 1 ATOM 459 C CB . TYR A 1 59 ? 24.776 -2.537 -6.428 1.00 17.21 ? 79 TYR A CB 1 ATOM 460 C CG . TYR A 1 59 ? 25.617 -2.614 -7.740 1.00 16.94 ? 79 TYR A CG 1 ATOM 461 C CD1 . TYR A 1 59 ? 26.920 -2.098 -7.829 1.00 18.70 ? 79 TYR A CD1 1 ATOM 462 C CD2 . TYR A 1 59 ? 25.054 -3.151 -8.898 1.00 16.80 ? 79 TYR A CD2 1 ATOM 463 C CE1 . TYR A 1 59 ? 27.635 -2.181 -9.031 1.00 19.18 ? 79 TYR A CE1 1 ATOM 464 C CE2 . TYR A 1 59 ? 25.734 -3.185 -10.084 1.00 18.52 ? 79 TYR A CE2 1 ATOM 465 C CZ . TYR A 1 59 ? 27.028 -2.701 -10.145 1.00 19.21 ? 79 TYR A CZ 1 ATOM 466 O OH . TYR A 1 59 ? 27.716 -2.822 -11.313 1.00 20.49 ? 79 TYR A OH 1 ATOM 467 N N . HIS A 1 60 ? 24.814 -2.635 -2.908 1.00 16.03 ? 80 HIS A N 1 ATOM 468 C CA . HIS A 1 60 ? 23.905 -2.633 -1.789 1.00 16.79 ? 80 HIS A CA 1 ATOM 469 C C . HIS A 1 60 ? 24.132 -1.504 -0.808 1.00 17.11 ? 80 HIS A C 1 ATOM 470 O O . HIS A 1 60 ? 23.296 -1.330 0.094 1.00 15.51 ? 80 HIS A O 1 ATOM 471 C CB . HIS A 1 60 ? 23.963 -3.991 -1.083 1.00 16.85 ? 80 HIS A CB 1 ATOM 472 C CG . HIS A 1 60 ? 23.512 -5.100 -1.980 1.00 17.37 ? 80 HIS A CG 1 ATOM 473 N ND1 . HIS A 1 60 ? 22.360 -5.825 -1.743 1.00 15.15 ? 80 HIS A ND1 1 ATOM 474 C CD2 . HIS A 1 60 ? 23.947 -5.466 -3.211 1.00 16.18 ? 80 HIS A CD2 1 ATOM 475 C CE1 . HIS A 1 60 ? 22.150 -6.635 -2.764 1.00 17.01 ? 80 HIS A CE1 1 ATOM 476 N NE2 . HIS A 1 60 ? 23.109 -6.453 -3.652 1.00 17.36 ? 80 HIS A NE2 1 ATOM 477 N N . PHE A 1 61 ? 25.238 -0.775 -0.982 1.00 16.43 ? 81 PHE A N 1 ATOM 478 C CA A PHE A 1 61 ? 25.602 0.224 -0.009 0.70 16.99 ? 81 PHE A CA 1 ATOM 479 C CA B PHE A 1 61 ? 25.746 0.167 0.022 0.30 16.41 ? 81 PHE A CA 1 ATOM 480 C C . PHE A 1 61 ? 26.361 1.404 -0.607 1.00 15.38 ? 81 PHE A C 1 ATOM 481 O O . PHE A 1 61 ? 26.789 1.391 -1.756 1.00 14.75 ? 81 PHE A O 1 ATOM 482 C CB A PHE A 1 61 ? 26.405 -0.425 1.145 0.70 17.39 ? 81 PHE A CB 1 ATOM 483 C CB B PHE A 1 61 ? 26.914 -0.384 0.875 0.30 16.46 ? 81 PHE A CB 1 ATOM 484 C CG A PHE A 1 61 ? 27.596 -1.210 0.695 0.70 17.46 ? 81 PHE A CG 1 ATOM 485 C CG B PHE A 1 61 ? 26.842 -1.827 1.238 0.30 16.81 ? 81 PHE A CG 1 ATOM 486 C CD1 A PHE A 1 61 ? 28.815 -0.606 0.501 0.70 18.22 ? 81 PHE A CD1 1 ATOM 487 C CD1 B PHE A 1 61 ? 27.329 -2.784 0.374 0.30 17.46 ? 81 PHE A CD1 1 ATOM 488 C CD2 A PHE A 1 61 ? 27.490 -2.582 0.487 0.70 19.13 ? 81 PHE A CD2 1 ATOM 489 C CD2 B PHE A 1 61 ? 26.425 -2.218 2.492 0.30 16.72 ? 81 PHE A CD2 1 ATOM 490 C CE1 A PHE A 1 61 ? 29.914 -1.334 0.089 0.70 20.83 ? 81 PHE A CE1 1 ATOM 491 C CE1 B PHE A 1 61 ? 27.325 -4.108 0.727 0.30 17.54 ? 81 PHE A CE1 1 ATOM 492 C CE2 A PHE A 1 61 ? 28.586 -3.326 0.073 0.70 18.57 ? 81 PHE A CE2 1 ATOM 493 C CE2 B PHE A 1 61 ? 26.429 -3.540 2.854 0.30 16.96 ? 81 PHE A CE2 1 ATOM 494 C CZ A PHE A 1 61 ? 29.807 -2.699 -0.124 0.70 19.60 ? 81 PHE A CZ 1 ATOM 495 C CZ B PHE A 1 61 ? 26.875 -4.491 1.971 0.30 17.23 ? 81 PHE A CZ 1 ATOM 496 N N . ILE A 1 62 ? 26.459 2.446 0.197 1.00 15.11 ? 82 ILE A N 1 ATOM 497 C CA . ILE A 1 62 ? 27.393 3.554 -0.044 1.00 15.08 ? 82 ILE A CA 1 ATOM 498 C C . ILE A 1 62 ? 28.076 3.776 1.289 1.00 15.31 ? 82 ILE A C 1 ATOM 499 O O . ILE A 1 62 ? 27.462 4.218 2.255 1.00 14.45 ? 82 ILE A O 1 ATOM 500 C CB . ILE A 1 62 ? 26.789 4.792 -0.708 1.00 14.84 ? 82 ILE A CB 1 ATOM 501 C CG1 . ILE A 1 62 ? 27.885 5.829 -0.954 1.00 13.73 ? 82 ILE A CG1 1 ATOM 502 C CG2 . ILE A 1 62 ? 25.588 5.305 0.056 1.00 15.14 ? 82 ILE A CG2 1 ATOM 503 C CD1 . ILE A 1 62 ? 27.432 6.962 -1.825 1.00 14.50 ? 82 ILE A CD1 1 ATOM 504 N N . ASP A 1 63 ? 29.340 3.377 1.338 1.00 15.11 ? 83 ASP A N 1 ATOM 505 C CA . ASP A 1 63 ? 30.119 3.385 2.601 1.00 16.40 ? 83 ASP A CA 1 ATOM 506 C C . ASP A 1 63 ? 30.596 4.808 2.986 1.00 15.06 ? 83 ASP A C 1 ATOM 507 O O . ASP A 1 63 ? 31.749 5.202 2.729 1.00 15.67 ? 83 ASP A O 1 ATOM 508 C CB . ASP A 1 63 ? 31.308 2.420 2.471 1.00 16.49 ? 83 ASP A CB 1 ATOM 509 C CG . ASP A 1 63 ? 30.958 0.964 2.816 1.00 18.55 ? 83 ASP A CG 1 ATOM 510 O OD1 . ASP A 1 63 ? 29.842 0.620 3.294 1.00 20.36 ? 83 ASP A OD1 1 ATOM 511 O OD2 . ASP A 1 63 ? 31.853 0.127 2.606 1.00 20.46 ? 83 ASP A OD2 1 ATOM 512 N N . ALA A 1 64 ? 29.702 5.567 3.597 1.00 15.33 ? 84 ALA A N 1 ATOM 513 C CA . ALA A 1 64 ? 29.958 6.974 3.927 1.00 16.60 ? 84 ALA A CA 1 ATOM 514 C C . ALA A 1 64 ? 31.178 7.141 4.831 1.00 15.95 ? 84 ALA A C 1 ATOM 515 O O . ALA A 1 64 ? 31.227 6.562 5.878 1.00 15.47 ? 84 ALA A O 1 ATOM 516 C CB . ALA A 1 64 ? 28.741 7.565 4.586 1.00 17.00 ? 84 ALA A CB 1 ATOM 517 N N . GLN A 1 65 ? 32.165 7.910 4.402 1.00 16.85 ? 85 GLN A N 1 ATOM 518 C CA . GLN A 1 65 ? 33.411 8.048 5.134 1.00 17.33 ? 85 GLN A CA 1 ATOM 519 C C . GLN A 1 65 ? 33.247 9.213 6.105 1.00 18.68 ? 85 GLN A C 1 ATOM 520 O O . GLN A 1 65 ? 33.832 10.305 5.931 1.00 16.74 ? 85 GLN A O 1 ATOM 521 C CB . GLN A 1 65 ? 34.577 8.213 4.180 1.00 17.60 ? 85 GLN A CB 1 ATOM 522 C CG . GLN A 1 65 ? 34.773 6.944 3.325 1.00 17.60 ? 85 GLN A CG 1 ATOM 523 C CD . GLN A 1 65 ? 35.802 7.128 2.206 1.00 20.30 ? 85 GLN A CD 1 ATOM 524 O OE1 . GLN A 1 65 ? 36.779 7.798 2.401 1.00 21.62 ? 85 GLN A OE1 1 ATOM 525 N NE2 . GLN A 1 65 ? 35.588 6.506 1.055 1.00 24.59 ? 85 GLN A NE2 1 ATOM 526 N N . ASP A 1 66 ? 32.459 8.962 7.144 1.00 15.86 ? 86 ASP A N 1 ATOM 527 C CA . ASP A 1 66 ? 32.147 10.015 8.104 1.00 18.03 ? 86 ASP A CA 1 ATOM 528 C C . ASP A 1 66 ? 32.657 9.628 9.475 1.00 17.48 ? 86 ASP A C 1 ATOM 529 O O . ASP A 1 66 ? 33.486 8.759 9.556 1.00 22.72 ? 86 ASP A O 1 ATOM 530 C CB . ASP A 1 66 ? 30.646 10.387 8.018 1.00 17.56 ? 86 ASP A CB 1 ATOM 531 C CG . ASP A 1 66 ? 29.708 9.231 8.338 1.00 18.27 ? 86 ASP A CG 1 ATOM 532 O OD1 . ASP A 1 66 ? 30.143 8.125 8.728 1.00 18.01 ? 86 ASP A OD1 1 ATOM 533 O OD2 . ASP A 1 66 ? 28.478 9.457 8.213 1.00 19.37 ? 86 ASP A OD2 1 ATOM 534 N N . ASN A 1 67 ? 32.193 10.232 10.554 1.00 21.21 ? 87 ASN A N 1 ATOM 535 C CA . ASN A 1 67 ? 32.808 10.006 11.877 1.00 21.92 ? 87 ASN A CA 1 ATOM 536 C C . ASN A 1 67 ? 31.751 9.909 12.985 1.00 23.05 ? 87 ASN A C 1 ATOM 537 O O . ASN A 1 67 ? 31.676 10.763 13.881 1.00 21.77 ? 87 ASN A O 1 ATOM 538 C CB . ASN A 1 67 ? 33.813 11.120 12.170 1.00 23.88 ? 87 ASN A CB 1 ATOM 539 C CG . ASN A 1 67 ? 35.070 10.983 11.350 1.00 27.68 ? 87 ASN A CG 1 ATOM 540 O OD1 . ASN A 1 67 ? 35.278 11.688 10.346 1.00 32.65 ? 87 ASN A OD1 1 ATOM 541 N ND2 . ASN A 1 67 ? 35.916 10.039 11.750 1.00 29.55 ? 87 ASN A ND2 1 ATOM 542 N N . PRO A 1 68 ? 30.902 8.872 12.922 1.00 21.89 ? 88 PRO A N 1 ATOM 543 C CA . PRO A 1 68 ? 29.769 8.874 13.799 1.00 22.26 ? 88 PRO A CA 1 ATOM 544 C C . PRO A 1 68 ? 30.161 8.372 15.200 1.00 21.88 ? 88 PRO A C 1 ATOM 545 O O . PRO A 1 68 ? 31.109 7.602 15.320 1.00 21.09 ? 88 PRO A O 1 ATOM 546 C CB . PRO A 1 68 ? 28.814 7.896 13.099 1.00 21.35 ? 88 PRO A CB 1 ATOM 547 C CG . PRO A 1 68 ? 29.748 6.861 12.553 1.00 21.62 ? 88 PRO A CG 1 ATOM 548 C CD . PRO A 1 68 ? 30.943 7.672 12.090 1.00 22.00 ? 88 PRO A CD 1 ATOM 549 N N . PRO A 1 69 ? 29.409 8.726 16.249 1.00 22.14 ? 89 PRO A N 1 ATOM 550 C CA . PRO A 1 69 ? 28.199 9.569 16.199 1.00 24.36 ? 89 PRO A CA 1 ATOM 551 C C . PRO A 1 69 ? 28.408 11.081 16.170 1.00 24.38 ? 89 PRO A C 1 ATOM 552 O O . PRO A 1 69 ? 27.441 11.773 16.078 1.00 24.18 ? 89 PRO A O 1 ATOM 553 C CB . PRO A 1 69 ? 27.467 9.191 17.505 1.00 23.73 ? 89 PRO A CB 1 ATOM 554 C CG . PRO A 1 69 ? 28.586 8.801 18.433 1.00 24.43 ? 89 PRO A CG 1 ATOM 555 C CD . PRO A 1 69 ? 29.542 8.041 17.548 1.00 24.56 ? 89 PRO A CD 1 ATOM 556 N N . GLN A 1 70 ? 29.659 11.550 16.166 1.00 27.70 ? 90 GLN A N 1 ATOM 557 C CA A GLN A 1 70 ? 29.966 12.984 16.264 0.50 27.58 ? 90 GLN A CA 1 ATOM 558 C CA B GLN A 1 70 ? 30.023 12.996 16.228 0.50 28.28 ? 90 GLN A CA 1 ATOM 559 C C . GLN A 1 70 ? 29.579 13.689 14.972 1.00 27.05 ? 90 GLN A C 1 ATOM 560 O O . GLN A 1 70 ? 29.109 14.820 15.000 1.00 26.13 ? 90 GLN A O 1 ATOM 561 C CB A GLN A 1 70 ? 31.460 13.222 16.535 0.50 28.31 ? 90 GLN A CB 1 ATOM 562 C CB B GLN A 1 70 ? 31.556 13.207 16.326 0.50 29.90 ? 90 GLN A CB 1 ATOM 563 C CG A GLN A 1 70 ? 32.026 12.469 17.725 0.50 30.79 ? 90 GLN A CG 1 ATOM 564 C CG B GLN A 1 70 ? 32.000 14.642 16.667 0.50 33.68 ? 90 GLN A CG 1 ATOM 565 C CD A GLN A 1 70 ? 32.551 11.079 17.365 0.50 31.43 ? 90 GLN A CD 1 ATOM 566 C CD B GLN A 1 70 ? 32.414 15.565 15.494 0.50 35.11 ? 90 GLN A CD 1 ATOM 567 O OE1 A GLN A 1 70 ? 33.491 10.908 16.577 0.50 30.05 ? 90 GLN A OE1 1 ATOM 568 O OE1 B GLN A 1 70 ? 33.149 15.172 14.570 0.50 37.79 ? 90 GLN A OE1 1 ATOM 569 N NE2 A GLN A 1 70 ? 31.969 10.087 17.987 0.50 30.00 ? 90 GLN A NE2 1 ATOM 570 N NE2 B GLN A 1 70 ? 31.978 16.831 15.570 0.50 34.84 ? 90 GLN A NE2 1 ATOM 571 N N . SER A 1 71 ? 29.813 13.034 13.852 1.00 22.44 ? 91 SER A N 1 ATOM 572 C CA . SER A 1 71 ? 29.635 13.682 12.606 1.00 21.85 ? 91 SER A CA 1 ATOM 573 C C . SER A 1 71 ? 29.205 12.662 11.543 1.00 22.89 ? 91 SER A C 1 ATOM 574 O O . SER A 1 71 ? 29.896 11.654 11.327 1.00 22.33 ? 91 SER A O 1 ATOM 575 C CB . SER A 1 71 ? 30.957 14.348 12.228 1.00 23.57 ? 91 SER A CB 1 ATOM 576 O OG . SER A 1 71 ? 30.944 14.702 10.875 1.00 24.25 ? 91 SER A OG 1 ATOM 577 N N . CYS A 1 72 ? 28.092 12.971 10.866 1.00 21.54 ? 92 CYS A N 1 ATOM 578 C CA . CYS A 1 72 ? 27.563 12.115 9.800 1.00 22.04 ? 92 CYS A CA 1 ATOM 579 C C . CYS A 1 72 ? 27.451 12.852 8.494 1.00 18.99 ? 92 CYS A C 1 ATOM 580 O O . CYS A 1 72 ? 27.035 13.993 8.470 1.00 20.55 ? 92 CYS A O 1 ATOM 581 C CB . CYS A 1 72 ? 26.167 11.595 10.200 1.00 23.51 ? 92 CYS A CB 1 ATOM 582 S SG . CYS A 1 72 ? 26.206 10.106 11.206 1.00 23.24 ? 92 CYS A SG 1 ATOM 583 N N . GLY A 1 73 ? 27.740 12.171 7.404 1.00 18.64 ? 93 GLY A N 1 ATOM 584 C CA . GLY A 1 73 ? 27.521 12.686 6.078 1.00 19.52 ? 93 GLY A CA 1 ATOM 585 C C . GLY A 1 73 ? 27.988 11.782 4.963 1.00 19.35 ? 93 GLY A C 1 ATOM 586 O O . GLY A 1 73 ? 28.942 11.024 5.138 1.00 20.77 ? 93 GLY A O 1 ATOM 587 N N . VAL A 1 74 ? 27.347 11.920 3.806 1.00 19.74 ? 94 VAL A N 1 ATOM 588 C CA . VAL A 1 74 ? 27.596 11.086 2.626 1.00 19.96 ? 94 VAL A CA 1 ATOM 589 C C . VAL A 1 74 ? 27.922 11.970 1.461 1.00 20.17 ? 94 VAL A C 1 ATOM 590 O O . VAL A 1 74 ? 27.284 13.012 1.258 1.00 21.50 ? 94 VAL A O 1 ATOM 591 C CB . VAL A 1 74 ? 26.328 10.300 2.195 1.00 20.77 ? 94 VAL A CB 1 ATOM 592 C CG1 . VAL A 1 74 ? 26.673 9.182 1.241 1.00 20.15 ? 94 VAL A CG1 1 ATOM 593 C CG2 . VAL A 1 74 ? 25.601 9.751 3.403 1.00 20.89 ? 94 VAL A CG2 1 ATOM 594 N N . ASP A 1 75 ? 28.871 11.544 0.647 1.00 19.92 ? 95 ASP A N 1 ATOM 595 C CA . ASP A 1 75 ? 29.264 12.292 -0.533 1.00 22.28 ? 95 ASP A CA 1 ATOM 596 C C . ASP A 1 75 ? 29.449 11.276 -1.651 1.00 20.07 ? 95 ASP A C 1 ATOM 597 O O . ASP A 1 75 ? 30.241 10.363 -1.496 1.00 19.36 ? 95 ASP A O 1 ATOM 598 C CB . ASP A 1 75 ? 30.565 13.055 -0.270 1.00 24.47 ? 95 ASP A CB 1 ATOM 599 C CG . ASP A 1 75 ? 31.112 13.714 -1.525 1.00 26.88 ? 95 ASP A CG 1 ATOM 600 O OD1 . ASP A 1 75 ? 31.632 13.014 -2.428 1.00 28.46 ? 95 ASP A OD1 1 ATOM 601 O OD2 . ASP A 1 75 ? 31.088 14.956 -1.573 1.00 33.13 ? 95 ASP A OD2 1 ATOM 602 N N . TYR A 1 76 ? 28.783 11.486 -2.789 1.00 20.07 ? 96 TYR A N 1 ATOM 603 C CA . TYR A 1 76 ? 28.717 10.485 -3.864 1.00 18.38 ? 96 TYR A CA 1 ATOM 604 C C . TYR A 1 76 ? 30.104 10.119 -4.370 1.00 20.03 ? 96 TYR A C 1 ATOM 605 O O . TYR A 1 76 ? 30.483 8.941 -4.395 1.00 17.75 ? 96 TYR A O 1 ATOM 606 C CB . TYR A 1 76 ? 27.860 11.012 -5.010 1.00 17.70 ? 96 TYR A CB 1 ATOM 607 C CG . TYR A 1 76 ? 27.722 10.111 -6.190 1.00 16.90 ? 96 TYR A CG 1 ATOM 608 C CD1 . TYR A 1 76 ? 27.424 8.755 -6.026 1.00 17.47 ? 96 TYR A CD1 1 ATOM 609 C CD2 . TYR A 1 76 ? 27.826 10.607 -7.490 1.00 18.37 ? 96 TYR A CD2 1 ATOM 610 C CE1 . TYR A 1 76 ? 27.312 7.911 -7.125 1.00 18.63 ? 96 TYR A CE1 1 ATOM 611 C CE2 . TYR A 1 76 ? 27.723 9.768 -8.596 1.00 17.66 ? 96 TYR A CE2 1 ATOM 612 C CZ . TYR A 1 76 ? 27.435 8.420 -8.393 1.00 18.07 ? 96 TYR A CZ 1 ATOM 613 O OH . TYR A 1 76 ? 27.270 7.563 -9.426 1.00 19.61 ? 96 TYR A OH 1 ATOM 614 N N . ASP A 1 77 ? 30.872 11.128 -4.784 1.00 18.99 ? 97 ASP A N 1 ATOM 615 C CA . ASP A 1 77 ? 32.205 10.838 -5.342 1.00 20.47 ? 97 ASP A CA 1 ATOM 616 C C . ASP A 1 77 ? 33.219 10.308 -4.296 1.00 19.48 ? 97 ASP A C 1 ATOM 617 O O . ASP A 1 77 ? 34.060 9.474 -4.604 1.00 19.53 ? 97 ASP A O 1 ATOM 618 C CB . ASP A 1 77 ? 32.795 12.044 -6.081 1.00 23.18 ? 97 ASP A CB 1 ATOM 619 C CG . ASP A 1 77 ? 33.980 11.658 -6.943 1.00 26.55 ? 97 ASP A CG 1 ATOM 620 O OD1 . ASP A 1 77 ? 33.794 11.001 -7.976 1.00 31.59 ? 97 ASP A OD1 1 ATOM 621 O OD2 . ASP A 1 77 ? 35.123 11.952 -6.570 1.00 29.34 ? 97 ASP A OD2 1 ATOM 622 N N . ARG A 1 78 ? 33.120 10.773 -3.070 1.00 17.14 ? 98 ARG A N 1 ATOM 623 C CA . ARG A 1 78 ? 34.046 10.359 -2.047 1.00 18.67 ? 98 ARG A CA 1 ATOM 624 C C . ARG A 1 78 ? 33.786 8.894 -1.679 1.00 17.92 ? 98 ARG A C 1 ATOM 625 O O . ARG A 1 78 ? 34.715 8.112 -1.546 1.00 18.07 ? 98 ARG A O 1 ATOM 626 C CB . ARG A 1 78 ? 33.855 11.233 -0.810 1.00 19.56 ? 98 ARG A CB 1 ATOM 627 C CG . ARG A 1 78 ? 34.876 10.969 0.305 1.00 21.38 ? 98 ARG A CG 1 ATOM 628 C CD . ARG A 1 78 ? 34.503 11.758 1.531 1.00 21.86 ? 98 ARG A CD 1 ATOM 629 N NE . ARG A 1 78 ? 33.272 11.244 2.125 1.00 22.99 ? 98 ARG A NE 1 ATOM 630 C CZ . ARG A 1 78 ? 32.517 11.872 3.021 1.00 25.45 ? 98 ARG A CZ 1 ATOM 631 N NH1 . ARG A 1 78 ? 32.831 13.089 3.450 1.00 26.77 ? 98 ARG A NH1 1 ATOM 632 N NH2 . ARG A 1 78 ? 31.401 11.289 3.513 1.00 28.07 ? 98 ARG A NH2 1 ATOM 633 N N . ASP A 1 79 ? 32.504 8.562 -1.524 1.00 15.92 ? 99 ASP A N 1 ATOM 634 C CA . ASP A 1 79 ? 32.074 7.329 -0.885 1.00 16.56 ? 99 ASP A CA 1 ATOM 635 C C . ASP A 1 79 ? 31.661 6.192 -1.804 1.00 16.20 ? 99 ASP A C 1 ATOM 636 O O . ASP A 1 79 ? 31.696 5.043 -1.360 1.00 17.13 ? 99 ASP A O 1 ATOM 637 C CB . ASP A 1 79 ? 30.911 7.637 0.057 1.00 15.29 ? 99 ASP A CB 1 ATOM 638 C CG . ASP A 1 79 ? 31.274 8.653 1.120 1.00 17.57 ? 99 ASP A CG 1 ATOM 639 O OD1 . ASP A 1 79 ? 32.425 8.661 1.586 1.00 17.08 ? 99 ASP A OD1 1 ATOM 640 O OD2 . ASP A 1 79 ? 30.401 9.424 1.563 1.00 16.61 ? 99 ASP A OD2 1 ATOM 641 N N . CYS A 1 80 ? 31.202 6.486 -3.043 1.00 17.49 ? 100 CYS A N 1 ATOM 642 C CA . CYS A 1 80 ? 30.714 5.429 -3.918 1.00 17.30 ? 100 CYS A CA 1 ATOM 643 C C . CYS A 1 80 ? 31.743 4.363 -4.170 1.00 17.74 ? 100 CYS A C 1 ATOM 644 O O . CYS A 1 80 ? 31.535 3.228 -3.835 1.00 18.11 ? 100 CYS A O 1 ATOM 645 C CB . CYS A 1 80 ? 30.214 5.998 -5.242 1.00 19.08 ? 100 CYS A CB 1 ATOM 646 S SG . CYS A 1 80 ? 29.300 4.824 -6.256 1.00 19.96 ? 100 CYS A SG 1 ATOM 647 N N . GLY A 1 81 ? 32.874 4.757 -4.750 1.00 19.70 ? 101 GLY A N 1 ATOM 648 C CA . GLY A 1 81 ? 34.010 3.885 -4.919 1.00 20.95 ? 101 GLY A CA 1 ATOM 649 C C . GLY A 1 81 ? 34.209 3.417 -6.330 1.00 22.85 ? 101 GLY A C 1 ATOM 650 O O . GLY A 1 81 ? 33.364 3.622 -7.181 1.00 24.84 ? 101 GLY A O 1 ATOM 651 N N . SER A 1 82 ? 35.315 2.733 -6.545 1.00 25.94 ? 102 SER A N 1 ATOM 652 C CA . SER A 1 82 ? 35.705 2.249 -7.887 1.00 33.16 ? 102 SER A CA 1 ATOM 653 C C . SER A 1 82 ? 34.749 1.175 -8.478 1.00 31.04 ? 102 SER A C 1 ATOM 654 O O . SER A 1 82 ? 34.568 1.110 -9.690 1.00 35.55 ? 102 SER A O 1 ATOM 655 C CB . SER A 1 82 ? 37.157 1.720 -7.836 1.00 33.69 ? 102 SER A CB 1 ATOM 656 O OG . SER A 1 82 ? 37.296 0.607 -6.936 1.00 34.63 ? 102 SER A OG 1 ATOM 657 N N . ALA A 1 83 ? 34.095 0.403 -7.615 1.00 27.39 ? 103 ALA A N 1 ATOM 658 C CA . ALA A 1 83 ? 33.253 -0.708 -8.065 1.00 26.67 ? 103 ALA A CA 1 ATOM 659 C C . ALA A 1 83 ? 31.754 -0.407 -8.018 1.00 25.22 ? 103 ALA A C 1 ATOM 660 O O . ALA A 1 83 ? 30.934 -1.312 -8.112 1.00 26.97 ? 103 ALA A O 1 ATOM 661 C CB . ALA A 1 83 ? 33.592 -1.932 -7.230 1.00 27.99 ? 103 ALA A CB 1 ATOM 662 N N . GLY A 1 84 ? 31.388 0.865 -7.874 1.00 22.38 ? 104 GLY A N 1 ATOM 663 C CA . GLY A 1 84 ? 29.981 1.237 -7.831 1.00 19.98 ? 104 GLY A CA 1 ATOM 664 C C . GLY A 1 84 ? 29.381 1.101 -6.455 1.00 17.89 ? 104 GLY A C 1 ATOM 665 O O . GLY A 1 84 ? 30.044 0.641 -5.502 1.00 17.33 ? 104 GLY A O 1 ATOM 666 N N . CYS A 1 85 ? 28.139 1.572 -6.348 1.00 15.69 ? 105 CYS A N 1 ATOM 667 C CA . CYS A 1 85 ? 27.471 1.648 -5.058 1.00 16.19 ? 105 CYS A CA 1 ATOM 668 C C . CYS A 1 85 ? 25.955 1.653 -5.259 1.00 15.26 ? 105 CYS A C 1 ATOM 669 O O . CYS A 1 85 ? 25.501 1.663 -6.398 1.00 14.66 ? 105 CYS A O 1 ATOM 670 C CB . CYS A 1 85 ? 27.959 2.876 -4.277 1.00 16.58 ? 105 CYS A CB 1 ATOM 671 S SG . CYS A 1 85 ? 27.596 4.434 -5.139 1.00 17.44 ? 105 CYS A SG 1 ATOM 672 N N . SER A 1 86 ? 25.204 1.678 -4.172 1.00 15.04 ? 106 SER A N 1 ATOM 673 C CA . SER A 1 86 ? 23.746 1.860 -4.232 1.00 15.97 ? 106 SER A CA 1 ATOM 674 C C . SER A 1 86 ? 23.283 2.999 -5.178 1.00 17.80 ? 106 SER A C 1 ATOM 675 O O . SER A 1 86 ? 22.354 2.809 -6.010 1.00 16.55 ? 106 SER A O 1 ATOM 676 C CB . SER A 1 86 ? 23.167 1.994 -2.835 1.00 16.68 ? 106 SER A CB 1 ATOM 677 O OG . SER A 1 86 ? 23.806 3.022 -2.150 1.00 16.35 ? 106 SER A OG 1 ATOM 678 N N . ILE A 1 87 ? 23.967 4.150 -5.079 1.00 16.35 ? 107 ILE A N 1 ATOM 679 C CA . ILE A 1 87 ? 23.566 5.370 -5.787 1.00 16.03 ? 107 ILE A CA 1 ATOM 680 C C . ILE A 1 87 ? 23.806 5.238 -7.289 1.00 15.31 ? 107 ILE A C 1 ATOM 681 O O . ILE A 1 87 ? 22.964 5.587 -8.092 1.00 13.36 ? 107 ILE A O 1 ATOM 682 C CB . ILE A 1 87 ? 24.322 6.589 -5.248 1.00 15.33 ? 107 ILE A CB 1 ATOM 683 C CG1 . ILE A 1 87 ? 24.137 6.742 -3.714 1.00 14.79 ? 107 ILE A CG1 1 ATOM 684 C CG2 . ILE A 1 87 ? 23.927 7.857 -5.990 1.00 14.84 ? 107 ILE A CG2 1 ATOM 685 C CD1 . ILE A 1 87 ? 22.709 6.834 -3.247 1.00 16.88 ? 107 ILE A CD1 1 ATOM 686 N N . SER A 1 88 ? 24.972 4.728 -7.653 1.00 16.30 ? 108 SER A N 1 ATOM 687 C CA . SER A 1 88 ? 25.277 4.544 -9.047 1.00 17.26 ? 108 SER A CA 1 ATOM 688 C C . SER A 1 88 ? 24.414 3.411 -9.656 1.00 18.00 ? 108 SER A C 1 ATOM 689 O O . SER A 1 88 ? 24.052 3.497 -10.811 1.00 16.68 ? 108 SER A O 1 ATOM 690 C CB . SER A 1 88 ? 26.788 4.348 -9.261 1.00 16.41 ? 108 SER A CB 1 ATOM 691 O OG . SER A 1 88 ? 27.214 3.067 -8.865 1.00 18.12 ? 108 SER A OG 1 ATOM 692 N N . ALA A 1 89 ? 24.112 2.355 -8.883 1.00 17.69 ? 109 ALA A N 1 ATOM 693 C CA . ALA A 1 89 ? 23.181 1.342 -9.302 1.00 18.32 ? 109 ALA A CA 1 ATOM 694 C C . ALA A 1 89 ? 21.762 1.910 -9.503 1.00 19.14 ? 109 ALA A C 1 ATOM 695 O O . ALA A 1 89 ? 21.117 1.621 -10.535 1.00 19.28 ? 109 ALA A O 1 ATOM 696 C CB . ALA A 1 89 ? 23.156 0.195 -8.322 1.00 17.97 ? 109 ALA A CB 1 ATOM 697 N N . ILE A 1 90 ? 21.255 2.732 -8.573 1.00 18.54 ? 110 ILE A N 1 ATOM 698 C CA . ILE A 1 90 ? 19.934 3.306 -8.813 1.00 19.46 ? 110 ILE A CA 1 ATOM 699 C C . ILE A 1 90 ? 19.924 4.116 -10.145 1.00 20.24 ? 110 ILE A C 1 ATOM 700 O O . ILE A 1 90 ? 18.984 4.040 -10.931 1.00 18.61 ? 110 ILE A O 1 ATOM 701 C CB . ILE A 1 90 ? 19.423 4.166 -7.664 1.00 19.31 ? 110 ILE A CB 1 ATOM 702 C CG1 . ILE A 1 90 ? 19.153 3.320 -6.431 1.00 20.08 ? 110 ILE A CG1 1 ATOM 703 C CG2 . ILE A 1 90 ? 18.179 4.936 -8.106 1.00 21.37 ? 110 ILE A CG2 1 ATOM 704 C CD1 . ILE A 1 90 ? 18.020 2.335 -6.514 1.00 20.81 ? 110 ILE A CD1 1 ATOM 705 N N . GLN A 1 91 ? 20.959 4.894 -10.398 1.00 22.61 ? 111 GLN A N 1 ATOM 706 C CA . GLN A 1 91 ? 21.034 5.633 -11.645 1.00 21.38 ? 111 GLN A CA 1 ATOM 707 C C . GLN A 1 91 ? 20.963 4.705 -12.833 1.00 21.86 ? 111 GLN A C 1 ATOM 708 O O . GLN A 1 91 ? 20.127 4.897 -13.745 1.00 22.25 ? 111 GLN A O 1 ATOM 709 C CB . GLN A 1 91 ? 22.309 6.489 -11.720 1.00 22.69 ? 111 GLN A CB 1 ATOM 710 C CG . GLN A 1 91 ? 22.485 7.174 -13.052 1.00 23.58 ? 111 GLN A CG 1 ATOM 711 C CD . GLN A 1 91 ? 23.744 7.996 -13.124 1.00 23.69 ? 111 GLN A CD 1 ATOM 712 O OE1 . GLN A 1 91 ? 24.822 7.528 -12.766 1.00 27.18 ? 111 GLN A OE1 1 ATOM 713 N NE2 . GLN A 1 91 ? 23.629 9.195 -13.634 1.00 24.39 ? 111 GLN A NE2 1 ATOM 714 N N . ASN A 1 92 ? 21.853 3.746 -12.853 1.00 21.79 ? 112 ASN A N 1 ATOM 715 C CA . ASN A 1 92 ? 21.985 2.853 -13.991 1.00 22.88 ? 112 ASN A CA 1 ATOM 716 C C . ASN A 1 92 ? 20.732 1.990 -14.257 1.00 20.81 ? 112 ASN A C 1 ATOM 717 O O . ASN A 1 92 ? 20.223 1.901 -15.389 1.00 17.57 ? 112 ASN A O 1 ATOM 718 C CB . ASN A 1 92 ? 23.195 1.967 -13.776 1.00 25.88 ? 112 ASN A CB 1 ATOM 719 C CG . ASN A 1 92 ? 23.521 1.132 -14.985 1.00 33.18 ? 112 ASN A CG 1 ATOM 720 O OD1 . ASN A 1 92 ? 23.627 1.663 -16.067 1.00 35.97 ? 112 ASN A OD1 1 ATOM 721 N ND2 . ASN A 1 92 ? 23.708 -0.193 -14.800 1.00 36.34 ? 112 ASN A ND2 1 ATOM 722 N N . TYR A 1 93 ? 20.225 1.370 -13.205 1.00 20.15 ? 113 TYR A N 1 ATOM 723 C CA . TYR A 1 93 ? 19.003 0.575 -13.338 1.00 19.31 ? 113 TYR A CA 1 ATOM 724 C C . TYR A 1 93 ? 17.725 1.401 -13.574 1.00 20.15 ? 113 TYR A C 1 ATOM 725 O O . TYR A 1 93 ? 16.843 0.969 -14.359 1.00 21.14 ? 113 TYR A O 1 ATOM 726 C CB . TYR A 1 93 ? 18.928 -0.479 -12.231 1.00 19.23 ? 113 TYR A CB 1 ATOM 727 C CG . TYR A 1 93 ? 20.116 -1.423 -12.287 1.00 18.75 ? 113 TYR A CG 1 ATOM 728 C CD1 . TYR A 1 93 ? 20.355 -2.194 -13.405 1.00 19.03 ? 113 TYR A CD1 1 ATOM 729 C CD2 . TYR A 1 93 ? 20.998 -1.536 -11.212 1.00 19.47 ? 113 TYR A CD2 1 ATOM 730 C CE1 . TYR A 1 93 ? 21.469 -3.035 -13.479 1.00 19.95 ? 113 TYR A CE1 1 ATOM 731 C CE2 . TYR A 1 93 ? 22.081 -2.393 -11.252 1.00 20.75 ? 113 TYR A CE2 1 ATOM 732 C CZ . TYR A 1 93 ? 22.313 -3.136 -12.373 1.00 19.78 ? 113 TYR A CZ 1 ATOM 733 O OH . TYR A 1 93 ? 23.377 -3.951 -12.387 1.00 22.01 ? 113 TYR A OH 1 ATOM 734 N N . THR A 1 94 ? 17.638 2.604 -13.009 1.00 20.65 ? 114 THR A N 1 ATOM 735 C CA . THR A 1 94 ? 16.531 3.480 -13.332 1.00 19.51 ? 114 THR A CA 1 ATOM 736 C C . THR A 1 94 ? 16.525 3.849 -14.841 1.00 21.11 ? 114 THR A C 1 ATOM 737 O O . THR A 1 94 ? 15.478 3.783 -15.506 1.00 18.56 ? 114 THR A O 1 ATOM 738 C CB . THR A 1 94 ? 16.511 4.721 -12.479 1.00 20.19 ? 114 THR A CB 1 ATOM 739 O OG1 . THR A 1 94 ? 16.325 4.349 -11.076 1.00 20.69 ? 114 THR A OG1 1 ATOM 740 C CG2 . THR A 1 94 ? 15.387 5.637 -12.950 1.00 21.13 ? 114 THR A CG2 1 ATOM 741 N N . ASN A 1 95 ? 17.696 4.193 -15.367 1.00 20.06 ? 115 ASN A N 1 ATOM 742 C CA . ASN A 1 95 ? 17.816 4.613 -16.772 1.00 22.26 ? 115 ASN A CA 1 ATOM 743 C C . ASN A 1 95 ? 17.583 3.491 -17.759 1.00 23.22 ? 115 ASN A C 1 ATOM 744 O O . ASN A 1 95 ? 17.051 3.739 -18.858 1.00 27.31 ? 115 ASN A O 1 ATOM 745 C CB . ASN A 1 95 ? 19.133 5.364 -17.046 1.00 22.99 ? 115 ASN A CB 1 ATOM 746 C CG . ASN A 1 95 ? 19.202 6.715 -16.324 1.00 24.54 ? 115 ASN A CG 1 ATOM 747 O OD1 . ASN A 1 95 ? 18.193 7.297 -15.885 1.00 24.25 ? 115 ASN A OD1 1 ATOM 748 N ND2 . ASN A 1 95 ? 20.433 7.201 -16.147 1.00 27.90 ? 115 ASN A ND2 1 ATOM 749 N N . ILE A 1 96 ? 17.907 2.263 -17.372 1.00 22.16 ? 116 ILE A N 1 ATOM 750 C CA . ILE A 1 96 ? 17.548 1.112 -18.157 1.00 23.52 ? 116 ILE A CA 1 ATOM 751 C C . ILE A 1 96 ? 16.031 1.023 -18.283 1.00 24.14 ? 116 ILE A C 1 ATOM 752 O O . ILE A 1 96 ? 15.530 0.810 -19.395 1.00 23.62 ? 116 ILE A O 1 ATOM 753 C CB . ILE A 1 96 ? 18.145 -0.200 -17.596 1.00 24.03 ? 116 ILE A CB 1 ATOM 754 C CG1 . ILE A 1 96 ? 19.651 -0.247 -17.897 1.00 24.00 ? 116 ILE A CG1 1 ATOM 755 C CG2 . ILE A 1 96 ? 17.446 -1.431 -18.188 1.00 25.74 ? 116 ILE A CG2 1 ATOM 756 C CD1 . ILE A 1 96 ? 20.432 -1.352 -17.207 1.00 25.54 ? 116 ILE A CD1 1 ATOM 757 N N . LEU A 1 97 ? 15.317 1.168 -17.177 1.00 21.90 ? 117 LEU A N 1 ATOM 758 C CA . LEU A 1 97 ? 13.848 1.111 -17.198 1.00 24.20 ? 117 LEU A CA 1 ATOM 759 C C . LEU A 1 97 ? 13.175 2.316 -17.890 1.00 26.09 ? 117 LEU A C 1 ATOM 760 O O . LEU A 1 97 ? 12.066 2.176 -18.434 1.00 25.15 ? 117 LEU A O 1 ATOM 761 C CB . LEU A 1 97 ? 13.244 0.920 -15.808 1.00 23.35 ? 117 LEU A CB 1 ATOM 762 C CG . LEU A 1 97 ? 13.647 -0.374 -15.118 1.00 22.93 ? 117 LEU A CG 1 ATOM 763 C CD1 . LEU A 1 97 ? 13.369 -0.311 -13.649 1.00 22.78 ? 117 LEU A CD1 1 ATOM 764 C CD2 . LEU A 1 97 ? 12.948 -1.611 -15.695 1.00 24.09 ? 117 LEU A CD2 1 ATOM 765 N N . LEU A 1 98 ? 13.830 3.472 -17.858 1.00 22.61 ? 118 LEU A N 1 ATOM 766 C CA . LEU A 1 98 ? 13.422 4.626 -18.665 1.00 24.28 ? 118 LEU A CA 1 ATOM 767 C C . LEU A 1 98 ? 13.664 4.485 -20.172 1.00 26.77 ? 118 LEU A C 1 ATOM 768 O O . LEU A 1 98 ? 12.879 5.023 -20.961 1.00 26.24 ? 118 LEU A O 1 ATOM 769 C CB . LEU A 1 98 ? 14.115 5.898 -18.176 1.00 22.15 ? 118 LEU A CB 1 ATOM 770 C CG . LEU A 1 98 ? 13.747 6.393 -16.778 1.00 21.76 ? 118 LEU A CG 1 ATOM 771 C CD1 . LEU A 1 98 ? 14.617 7.597 -16.434 1.00 21.05 ? 118 LEU A CD1 1 ATOM 772 C CD2 . LEU A 1 98 ? 12.264 6.765 -16.605 1.00 23.78 ? 118 LEU A CD2 1 ATOM 773 N N . GLU A 1 99 ? 14.693 3.721 -20.558 1.00 27.39 ? 119 GLU A N 1 ATOM 774 C CA . GLU A 1 99 ? 15.159 3.655 -21.940 1.00 26.00 ? 119 GLU A CA 1 ATOM 775 C C . GLU A 1 99 ? 14.664 2.419 -22.664 1.00 28.45 ? 119 GLU A C 1 ATOM 776 O O . GLU A 1 99 ? 14.306 2.517 -23.853 1.00 25.78 ? 119 GLU A O 1 ATOM 777 C CB . GLU A 1 99 ? 16.705 3.669 -22.015 1.00 28.17 ? 119 GLU A CB 1 ATOM 778 C CG . GLU A 1 99 ? 17.305 5.022 -21.748 1.00 31.49 ? 119 GLU A CG 1 ATOM 779 C CD . GLU A 1 99 ? 18.815 5.036 -21.566 0.50 31.74 ? 119 GLU A CD 1 ATOM 780 O OE1 . GLU A 1 99 ? 19.322 6.026 -20.998 0.50 31.27 ? 119 GLU A OE1 1 ATOM 781 O OE2 . GLU A 1 99 ? 19.496 4.087 -21.996 0.50 34.88 ? 119 GLU A OE2 1 ATOM 782 N N . SER A 1 100 ? 14.712 1.251 -21.992 1.00 26.61 ? 120 SER A N 1 ATOM 783 C CA . SER A 1 100 ? 14.265 -0.026 -22.546 1.00 25.08 ? 120 SER A CA 1 ATOM 784 C C . SER A 1 100 ? 13.474 -0.864 -21.536 1.00 22.55 ? 120 SER A C 1 ATOM 785 O O . SER A 1 100 ? 13.914 -1.945 -21.125 1.00 21.69 ? 120 SER A O 1 ATOM 786 C CB . SER A 1 100 ? 15.451 -0.837 -23.025 1.00 27.80 ? 120 SER A CB 1 ATOM 787 O OG . SER A 1 100 ? 16.435 0.033 -23.476 1.00 33.25 ? 120 SER A OG 1 ATOM 788 N N . PRO A 1 101 ? 12.289 -0.409 -21.151 1.00 21.60 ? 121 PRO A N 1 ATOM 789 C CA . PRO A 1 101 ? 11.511 -1.211 -20.193 1.00 21.89 ? 121 PRO A CA 1 ATOM 790 C C . PRO A 1 101 ? 11.100 -2.567 -20.703 1.00 23.27 ? 121 PRO A C 1 ATOM 791 O O . PRO A 1 101 ? 10.897 -3.485 -19.913 1.00 23.48 ? 121 PRO A O 1 ATOM 792 C CB . PRO A 1 101 ? 10.301 -0.321 -19.894 1.00 22.01 ? 121 PRO A CB 1 ATOM 793 C CG . PRO A 1 101 ? 10.216 0.580 -21.027 1.00 23.13 ? 121 PRO A CG 1 ATOM 794 C CD . PRO A 1 101 ? 11.630 0.860 -21.459 1.00 23.75 ? 121 PRO A CD 1 ATOM 795 N N . ASN A 1 102 ? 10.980 -2.716 -22.029 1.00 25.92 ? 122 ASN A N 1 ATOM 796 C CA . ASN A 1 102 ? 10.611 -4.000 -22.640 1.00 27.76 ? 122 ASN A CA 1 ATOM 797 C C . ASN A 1 102 ? 11.789 -4.832 -23.085 1.00 27.91 ? 122 ASN A C 1 ATOM 798 O O . ASN A 1 102 ? 11.596 -5.939 -23.532 1.00 25.17 ? 122 ASN A O 1 ATOM 799 C CB . ASN A 1 102 ? 9.675 -3.731 -23.848 1.00 33.83 ? 122 ASN A CB 1 ATOM 800 C CG . ASN A 1 102 ? 8.748 -4.897 -24.167 1.00 36.85 ? 122 ASN A CG 1 ATOM 801 O OD1 . ASN A 1 102 ? 7.963 -5.333 -23.320 1.00 36.26 ? 122 ASN A OD1 1 ATOM 802 N ND2 . ASN A 1 102 ? 8.802 -5.386 -25.420 1.00 38.03 ? 122 ASN A ND2 1 ATOM 803 N N . GLY A 1 103 ? 13.018 -4.328 -22.930 1.00 25.88 ? 123 GLY A N 1 ATOM 804 C CA . GLY A 1 103 ? 14.215 -5.094 -23.226 1.00 27.94 ? 123 GLY A CA 1 ATOM 805 C C . GLY A 1 103 ? 14.623 -6.127 -22.186 1.00 28.26 ? 123 GLY A C 1 ATOM 806 O O . GLY A 1 103 ? 14.037 -6.225 -21.130 1.00 26.15 ? 123 GLY A O 1 ATOM 807 N N . SER A 1 104 ? 15.683 -6.866 -22.508 1.00 30.64 ? 124 SER A N 1 ATOM 808 C CA . SER A 1 104 ? 16.128 -8.029 -21.728 1.00 35.45 ? 124 SER A CA 1 ATOM 809 C C . SER A 1 104 ? 16.727 -7.645 -20.362 1.00 32.44 ? 124 SER A C 1 ATOM 810 O O . SER A 1 104 ? 16.621 -8.416 -19.427 1.00 36.79 ? 124 SER A O 1 ATOM 811 C CB . SER A 1 104 ? 17.162 -8.835 -22.525 1.00 34.77 ? 124 SER A CB 1 ATOM 812 O OG . SER A 1 104 ? 18.270 -7.975 -22.906 1.00 39.51 ? 124 SER A OG 1 ATOM 813 N N . GLU A 1 105 ? 17.301 -6.449 -20.265 1.00 29.84 ? 125 GLU A N 1 ATOM 814 C CA . GLU A 1 105 ? 17.908 -5.962 -19.028 1.00 28.52 ? 125 GLU A CA 1 ATOM 815 C C . GLU A 1 105 ? 16.913 -5.427 -17.985 1.00 25.40 ? 125 GLU A C 1 ATOM 816 O O . GLU A 1 105 ? 17.276 -5.228 -16.844 1.00 24.43 ? 125 GLU A O 1 ATOM 817 C CB . GLU A 1 105 ? 18.966 -4.905 -19.343 1.00 31.09 ? 125 GLU A CB 1 ATOM 818 C CG . GLU A 1 105 ? 20.006 -5.261 -20.423 1.00 35.56 ? 125 GLU A CG 1 ATOM 819 C CD . GLU A 1 105 ? 20.611 -6.663 -20.296 0.50 35.24 ? 125 GLU A CD 1 ATOM 820 O OE1 . GLU A 1 105 ? 20.365 -7.529 -21.178 0.50 36.79 ? 125 GLU A OE1 1 ATOM 821 O OE2 . GLU A 1 105 ? 21.337 -6.907 -19.318 0.50 33.37 ? 125 GLU A OE2 1 ATOM 822 N N . ALA A 1 106 ? 15.667 -5.204 -18.378 1.00 23.26 ? 126 ALA A N 1 ATOM 823 C CA . ALA A 1 106 ? 14.664 -4.585 -17.554 1.00 21.59 ? 126 ALA A CA 1 ATOM 824 C C . ALA A 1 106 ? 14.199 -5.435 -16.366 1.00 20.51 ? 126 ALA A C 1 ATOM 825 O O . ALA A 1 106 ? 13.854 -4.912 -15.317 1.00 21.12 ? 126 ALA A O 1 ATOM 826 C CB . ALA A 1 106 ? 13.460 -4.227 -18.415 1.00 22.36 ? 126 ALA A CB 1 ATOM 827 N N . LEU A 1 107 ? 14.188 -6.730 -16.531 1.00 19.21 ? 127 LEU A N 1 ATOM 828 C CA . LEU A 1 107 ? 13.832 -7.620 -15.481 1.00 19.25 ? 127 LEU A CA 1 ATOM 829 C C . LEU A 1 107 ? 14.759 -7.482 -14.268 1.00 20.04 ? 127 LEU A C 1 ATOM 830 O O . LEU A 1 107 ? 14.312 -7.146 -13.183 1.00 19.15 ? 127 LEU A O 1 ATOM 831 C CB . LEU A 1 107 ? 13.838 -9.049 -15.984 1.00 20.16 ? 127 LEU A CB 1 ATOM 832 C CG . LEU A 1 107 ? 13.668 -10.108 -14.918 1.00 20.99 ? 127 LEU A CG 1 ATOM 833 C CD1 . LEU A 1 107 ? 12.317 -10.018 -14.258 1.00 22.26 ? 127 LEU A CD1 1 ATOM 834 C CD2 . LEU A 1 107 ? 13.833 -11.431 -15.607 1.00 23.10 ? 127 LEU A CD2 1 ATOM 835 N N . ASN A 1 108 ? 16.045 -7.729 -14.453 1.00 20.58 ? 128 ASN A N 1 ATOM 836 C CA . ASN A 1 108 ? 16.984 -7.446 -13.374 1.00 20.40 ? 128 ASN A CA 1 ATOM 837 C C . ASN A 1 108 ? 17.028 -5.986 -12.916 1.00 18.87 ? 128 ASN A C 1 ATOM 838 O O . ASN A 1 108 ? 17.116 -5.729 -11.710 1.00 19.12 ? 128 ASN A O 1 ATOM 839 C CB . ASN A 1 108 ? 18.353 -7.986 -13.727 1.00 22.25 ? 128 ASN A CB 1 ATOM 840 C CG . ASN A 1 108 ? 18.374 -9.482 -13.792 1.00 22.13 ? 128 ASN A CG 1 ATOM 841 O OD1 . ASN A 1 108 ? 17.396 -10.141 -13.444 1.00 22.22 ? 128 ASN A OD1 1 ATOM 842 N ND2 . ASN A 1 108 ? 19.502 -10.041 -14.232 1.00 23.11 ? 128 ASN A ND2 1 ATOM 843 N N . ALA A 1 109 ? 16.906 -5.025 -13.837 1.00 17.48 ? 129 ALA A N 1 ATOM 844 C CA . ALA A 1 109 ? 16.892 -3.625 -13.433 1.00 19.00 ? 129 ALA A CA 1 ATOM 845 C C . ALA A 1 109 ? 15.809 -3.367 -12.400 1.00 18.38 ? 129 ALA A C 1 ATOM 846 O O . ALA A 1 109 ? 16.054 -2.725 -11.374 1.00 18.76 ? 129 ALA A O 1 ATOM 847 C CB . ALA A 1 109 ? 16.674 -2.691 -14.626 1.00 20.95 ? 129 ALA A CB 1 ATOM 848 N N . LEU A 1 110 ? 14.601 -3.832 -12.693 1.00 17.38 ? 130 LEU A N 1 ATOM 849 C CA . LEU A 1 110 ? 13.477 -3.630 -11.787 1.00 16.60 ? 130 LEU A CA 1 ATOM 850 C C . LEU A 1 110 ? 13.703 -4.335 -10.431 1.00 16.83 ? 130 LEU A C 1 ATOM 851 O O . LEU A 1 110 ? 13.416 -3.779 -9.380 1.00 16.64 ? 130 LEU A O 1 ATOM 852 C CB . LEU A 1 110 ? 12.177 -4.095 -12.416 1.00 16.94 ? 130 LEU A CB 1 ATOM 853 C CG . LEU A 1 110 ? 10.867 -3.953 -11.584 1.00 16.42 ? 130 LEU A CG 1 ATOM 854 C CD1 . LEU A 1 110 ? 10.644 -2.554 -11.067 1.00 17.29 ? 130 LEU A CD1 1 ATOM 855 C CD2 . LEU A 1 110 ? 9.696 -4.361 -12.427 1.00 16.41 ? 130 LEU A CD2 1 ATOM 856 N N . LYS A 1 111 ? 14.216 -5.549 -10.475 1.00 17.91 ? 131 LYS A N 1 ATOM 857 C CA . LYS A 1 111 ? 14.552 -6.295 -9.256 1.00 19.05 ? 131 LYS A CA 1 ATOM 858 C C . LYS A 1 111 ? 15.564 -5.555 -8.374 1.00 17.29 ? 131 LYS A C 1 ATOM 859 O O . LYS A 1 111 ? 15.412 -5.485 -7.164 1.00 16.98 ? 131 LYS A O 1 ATOM 860 C CB . LYS A 1 111 ? 15.079 -7.692 -9.618 1.00 20.09 ? 131 LYS A CB 1 ATOM 861 C CG . LYS A 1 111 ? 14.022 -8.562 -10.356 1.00 20.69 ? 131 LYS A CG 1 ATOM 862 C CD . LYS A 1 111 ? 14.222 -10.064 -10.164 1.00 23.08 ? 131 LYS A CD 1 ATOM 863 C CE . LYS A 1 111 ? 15.157 -10.758 -11.149 1.00 26.91 ? 131 LYS A CE 1 ATOM 864 N NZ . LYS A 1 111 ? 14.956 -12.284 -11.105 1.00 29.39 ? 131 LYS A NZ 1 ATOM 865 N N . PHE A 1 112 ? 16.579 -5.015 -9.028 1.00 16.22 ? 132 PHE A N 1 ATOM 866 C CA . PHE A 1 112 ? 17.543 -4.147 -8.410 1.00 16.56 ? 132 PHE A CA 1 ATOM 867 C C . PHE A 1 112 ? 16.926 -2.914 -7.758 1.00 16.09 ? 132 PHE A C 1 ATOM 868 O O . PHE A 1 112 ? 17.180 -2.651 -6.572 1.00 16.33 ? 132 PHE A O 1 ATOM 869 C CB . PHE A 1 112 ? 18.633 -3.714 -9.402 1.00 15.98 ? 132 PHE A CB 1 ATOM 870 C CG . PHE A 1 112 ? 19.745 -4.711 -9.541 1.00 16.01 ? 132 PHE A CG 1 ATOM 871 C CD1 . PHE A 1 112 ? 20.423 -5.178 -8.412 1.00 15.72 ? 132 PHE A CD1 1 ATOM 872 C CD2 . PHE A 1 112 ? 20.116 -5.215 -10.800 1.00 16.79 ? 132 PHE A CD2 1 ATOM 873 C CE1 . PHE A 1 112 ? 21.433 -6.095 -8.524 1.00 15.84 ? 132 PHE A CE1 1 ATOM 874 C CE2 . PHE A 1 112 ? 21.137 -6.154 -10.914 1.00 16.24 ? 132 PHE A CE2 1 ATOM 875 C CZ . PHE A 1 112 ? 21.810 -6.578 -9.788 1.00 17.13 ? 132 PHE A CZ 1 ATOM 876 N N . VAL A 1 113 ? 16.128 -2.181 -8.516 1.00 15.77 ? 133 VAL A N 1 ATOM 877 C CA . VAL A 1 113 ? 15.537 -0.958 -8.015 1.00 16.12 ? 133 VAL A CA 1 ATOM 878 C C . VAL A 1 113 ? 14.723 -1.242 -6.737 1.00 16.23 ? 133 VAL A C 1 ATOM 879 O O . VAL A 1 113 ? 14.816 -0.517 -5.757 1.00 16.14 ? 133 VAL A O 1 ATOM 880 C CB . VAL A 1 113 ? 14.688 -0.259 -9.081 1.00 16.64 ? 133 VAL A CB 1 ATOM 881 C CG1 . VAL A 1 113 ? 13.898 0.882 -8.489 1.00 17.54 ? 133 VAL A CG1 1 ATOM 882 C CG2 . VAL A 1 113 ? 15.586 0.305 -10.168 1.00 17.58 ? 133 VAL A CG2 1 ATOM 883 N N . VAL A 1 114 ? 13.912 -2.301 -6.776 1.00 17.83 ? 134 VAL A N 1 ATOM 884 C CA . VAL A 1 114 ? 13.032 -2.652 -5.640 1.00 16.85 ? 134 VAL A CA 1 ATOM 885 C C . VAL A 1 114 ? 13.918 -2.929 -4.400 1.00 16.38 ? 134 VAL A C 1 ATOM 886 O O . VAL A 1 114 ? 13.601 -2.493 -3.269 1.00 18.21 ? 134 VAL A O 1 ATOM 887 C CB . VAL A 1 114 ? 12.135 -3.901 -5.940 1.00 17.36 ? 134 VAL A CB 1 ATOM 888 C CG1 . VAL A 1 114 ? 11.407 -4.374 -4.679 1.00 17.06 ? 134 VAL A CG1 1 ATOM 889 C CG2 . VAL A 1 114 ? 11.152 -3.621 -7.058 1.00 17.30 ? 134 VAL A CG2 1 ATOM 890 N N . HIS A 1 115 ? 15.004 -3.684 -4.601 1.00 16.42 ? 135 HIS A N 1 ATOM 891 C CA . HIS A 1 115 ? 15.874 -4.105 -3.509 1.00 16.40 ? 135 HIS A CA 1 ATOM 892 C C . HIS A 1 115 ? 16.669 -2.907 -2.961 1.00 15.41 ? 135 HIS A C 1 ATOM 893 O O . HIS A 1 115 ? 16.666 -2.618 -1.768 1.00 14.02 ? 135 HIS A O 1 ATOM 894 C CB . HIS A 1 115 ? 16.828 -5.217 -3.959 1.00 15.56 ? 135 HIS A CB 1 ATOM 895 C CG . HIS A 1 115 ? 17.656 -5.754 -2.849 1.00 17.56 ? 135 HIS A CG 1 ATOM 896 N ND1 . HIS A 1 115 ? 17.201 -6.736 -1.993 1.00 17.88 ? 135 HIS A ND1 1 ATOM 897 C CD2 . HIS A 1 115 ? 18.906 -5.435 -2.428 1.00 17.57 ? 135 HIS A CD2 1 ATOM 898 C CE1 . HIS A 1 115 ? 18.125 -6.993 -1.083 1.00 18.01 ? 135 HIS A CE1 1 ATOM 899 N NE2 . HIS A 1 115 ? 19.165 -6.212 -1.312 1.00 19.70 ? 135 HIS A NE2 1 ATOM 900 N N . ILE A 1 116 ? 17.289 -2.185 -3.877 1.00 15.84 ? 136 ILE A N 1 ATOM 901 C CA . ILE A 1 116 ? 18.296 -1.153 -3.489 1.00 16.17 ? 136 ILE A CA 1 ATOM 902 C C . ILE A 1 116 ? 17.675 0.067 -2.864 1.00 15.51 ? 136 ILE A C 1 ATOM 903 O O . ILE A 1 116 ? 18.218 0.562 -1.883 1.00 16.03 ? 136 ILE A O 1 ATOM 904 C CB . ILE A 1 116 ? 19.241 -0.812 -4.615 1.00 16.42 ? 136 ILE A CB 1 ATOM 905 C CG1 . ILE A 1 116 ? 20.096 -2.044 -4.902 1.00 17.72 ? 136 ILE A CG1 1 ATOM 906 C CG2 . ILE A 1 116 ? 20.183 0.351 -4.258 1.00 16.95 ? 136 ILE A CG2 1 ATOM 907 C CD1 . ILE A 1 116 ? 20.767 -2.019 -6.278 1.00 19.00 ? 136 ILE A CD1 1 ATOM 908 N N . ILE A 1 117 ? 16.479 0.460 -3.309 1.00 16.03 ? 137 ILE A N 1 ATOM 909 C CA . ILE A 1 117 ? 15.762 1.541 -2.625 1.00 15.94 ? 137 ILE A CA 1 ATOM 910 C C . ILE A 1 117 ? 15.559 1.139 -1.175 1.00 16.99 ? 137 ILE A C 1 ATOM 911 O O . ILE A 1 117 ? 15.714 1.987 -0.259 1.00 15.57 ? 137 ILE A O 1 ATOM 912 C CB . ILE A 1 117 ? 14.491 2.006 -3.372 1.00 16.59 ? 137 ILE A CB 1 ATOM 913 C CG1 . ILE A 1 117 ? 14.954 2.683 -4.693 1.00 16.78 ? 137 ILE A CG1 1 ATOM 914 C CG2 . ILE A 1 117 ? 13.648 2.975 -2.531 1.00 15.87 ? 137 ILE A CG2 1 ATOM 915 C CD1 . ILE A 1 117 ? 13.879 3.259 -5.547 1.00 17.39 ? 137 ILE A CD1 1 ATOM 916 N N . GLY A 1 118 ? 15.258 -0.155 -0.964 1.00 17.14 ? 138 GLY A N 1 ATOM 917 C CA . GLY A 1 118 ? 15.255 -0.735 0.427 1.00 17.54 ? 138 GLY A CA 1 ATOM 918 C C . GLY A 1 118 ? 16.556 -0.535 1.195 1.00 16.12 ? 138 GLY A C 1 ATOM 919 O O . GLY A 1 118 ? 16.572 0.074 2.284 1.00 17.56 ? 138 GLY A O 1 ATOM 920 N N . ASP A 1 119 ? 17.641 -1.047 0.632 1.00 15.62 ? 139 ASP A N 1 ATOM 921 C CA . ASP A 1 119 ? 18.962 -0.944 1.242 1.00 15.35 ? 139 ASP A CA 1 ATOM 922 C C . ASP A 1 119 ? 19.433 0.496 1.620 1.00 14.11 ? 139 ASP A C 1 ATOM 923 O O . ASP A 1 119 ? 20.044 0.716 2.678 1.00 15.71 ? 139 ASP A O 1 ATOM 924 C CB . ASP A 1 119 ? 19.994 -1.590 0.332 1.00 14.87 ? 139 ASP A CB 1 ATOM 925 C CG . ASP A 1 119 ? 20.097 -3.079 0.562 1.00 15.91 ? 139 ASP A CG 1 ATOM 926 O OD1 . ASP A 1 119 ? 19.538 -3.517 1.600 1.00 14.08 ? 139 ASP A OD1 1 ATOM 927 O OD2 . ASP A 1 119 ? 20.786 -3.772 -0.230 1.00 13.74 ? 139 ASP A OD2 1 ATOM 928 N N . ILE A 1 120 ? 19.115 1.438 0.758 1.00 14.16 ? 140 ILE A N 1 ATOM 929 C CA . ILE A 1 120 ? 19.482 2.843 0.947 1.00 15.55 ? 140 ILE A CA 1 ATOM 930 C C . ILE A 1 120 ? 18.891 3.373 2.254 1.00 14.99 ? 140 ILE A C 1 ATOM 931 O O . ILE A 1 120 ? 19.454 4.285 2.862 1.00 15.35 ? 140 ILE A O 1 ATOM 932 C CB . ILE A 1 120 ? 19.069 3.659 -0.287 1.00 16.60 ? 140 ILE A CB 1 ATOM 933 C CG1 . ILE A 1 120 ? 20.057 3.396 -1.424 1.00 17.10 ? 140 ILE A CG1 1 ATOM 934 C CG2 . ILE A 1 120 ? 19.032 5.147 0.034 1.00 19.61 ? 140 ILE A CG2 1 ATOM 935 C CD1 . ILE A 1 120 ? 19.564 3.892 -2.773 1.00 19.70 ? 140 ILE A CD1 1 ATOM 936 N N . HIS A 1 121 ? 17.751 2.796 2.682 1.00 13.29 ? 141 HIS A N 1 ATOM 937 C CA . HIS A 1 121 ? 17.144 3.208 3.905 1.00 13.27 ? 141 HIS A CA 1 ATOM 938 C C . HIS A 1 121 ? 17.575 2.481 5.152 1.00 13.65 ? 141 HIS A C 1 ATOM 939 O O . HIS A 1 121 ? 17.124 2.830 6.226 1.00 13.74 ? 141 HIS A O 1 ATOM 940 C CB . HIS A 1 121 ? 15.635 3.199 3.733 1.00 12.95 ? 141 HIS A CB 1 ATOM 941 C CG . HIS A 1 121 ? 15.166 4.251 2.812 1.00 12.27 ? 141 HIS A CG 1 ATOM 942 N ND1 . HIS A 1 121 ? 15.206 4.108 1.450 1.00 12.14 ? 141 HIS A ND1 1 ATOM 943 C CD2 . HIS A 1 121 ? 14.685 5.485 3.049 1.00 13.29 ? 141 HIS A CD2 1 ATOM 944 C CE1 . HIS A 1 121 ? 14.762 5.210 0.887 1.00 13.30 ? 141 HIS A CE1 1 ATOM 945 N NE2 . HIS A 1 121 ? 14.416 6.049 1.836 1.00 12.80 ? 141 HIS A NE2 1 ATOM 946 N N . GLN A 1 122 ? 18.456 1.497 5.016 1.00 14.20 ? 142 GLN A N 1 ATOM 947 C CA . GLN A 1 122 ? 19.027 0.814 6.209 1.00 15.21 ? 142 GLN A CA 1 ATOM 948 C C . GLN A 1 122 ? 20.252 1.690 6.527 1.00 14.55 ? 142 GLN A C 1 ATOM 949 O O . GLN A 1 122 ? 21.191 1.696 5.743 1.00 12.54 ? 142 GLN A O 1 ATOM 950 C CB . GLN A 1 122 ? 19.410 -0.638 5.862 1.00 14.70 ? 142 GLN A CB 1 ATOM 951 C CG . GLN A 1 122 ? 19.449 -1.620 7.013 1.00 14.90 ? 142 GLN A CG 1 ATOM 952 C CD . GLN A 1 122 ? 20.628 -1.388 7.960 1.00 13.69 ? 142 GLN A CD 1 ATOM 953 O OE1 . GLN A 1 122 ? 20.797 -0.314 8.508 1.00 13.99 ? 142 GLN A OE1 1 ATOM 954 N NE2 . GLN A 1 122 ? 21.429 -2.407 8.159 1.00 13.37 ? 142 GLN A NE2 1 ATOM 955 N N . PRO A 1 123 ? 20.257 2.411 7.668 1.00 14.34 ? 143 PRO A N 1 ATOM 956 C CA . PRO A 1 123 ? 21.345 3.408 7.876 1.00 15.04 ? 143 PRO A CA 1 ATOM 957 C C . PRO A 1 123 ? 22.776 2.850 7.776 1.00 15.36 ? 143 PRO A C 1 ATOM 958 O O . PRO A 1 123 ? 23.693 3.537 7.269 1.00 14.25 ? 143 PRO A O 1 ATOM 959 C CB . PRO A 1 123 ? 21.081 3.906 9.281 1.00 15.32 ? 143 PRO A CB 1 ATOM 960 C CG . PRO A 1 123 ? 19.612 3.696 9.518 1.00 14.90 ? 143 PRO A CG 1 ATOM 961 C CD . PRO A 1 123 ? 19.256 2.455 8.746 1.00 15.48 ? 143 PRO A CD 1 ATOM 962 N N . LEU A 1 124 ? 22.962 1.586 8.193 1.00 14.97 ? 144 LEU A N 1 ATOM 963 C CA . LEU A 1 124 ? 24.261 0.947 8.081 1.00 15.75 ? 144 LEU A CA 1 ATOM 964 C C . LEU A 1 124 ? 24.646 0.419 6.705 1.00 16.53 ? 144 LEU A C 1 ATOM 965 O O . LEU A 1 124 ? 25.808 -0.056 6.534 1.00 17.71 ? 144 LEU A O 1 ATOM 966 C CB . LEU A 1 124 ? 24.417 -0.161 9.136 1.00 15.26 ? 144 LEU A CB 1 ATOM 967 C CG . LEU A 1 124 ? 24.547 0.339 10.599 1.00 14.85 ? 144 LEU A CG 1 ATOM 968 C CD1 . LEU A 1 124 ? 24.552 -0.810 11.552 1.00 15.75 ? 144 LEU A CD1 1 ATOM 969 C CD2 . LEU A 1 124 ? 25.853 1.075 10.717 1.00 15.18 ? 144 LEU A CD2 1 ATOM 970 N N . HIS A 1 125 ? 23.743 0.565 5.732 1.00 15.38 ? 145 HIS A N 1 ATOM 971 C CA . HIS A 1 125 ? 24.107 0.460 4.347 1.00 15.68 ? 145 HIS A CA 1 ATOM 972 C C . HIS A 1 125 ? 24.593 1.836 3.787 1.00 16.18 ? 145 HIS A C 1 ATOM 973 O O . HIS A 1 125 ? 24.902 1.950 2.591 1.00 16.40 ? 145 HIS A O 1 ATOM 974 C CB . HIS A 1 125 ? 22.928 -0.068 3.582 1.00 15.81 ? 145 HIS A CB 1 ATOM 975 C CG . HIS A 1 125 ? 22.774 -1.556 3.661 1.00 16.02 ? 145 HIS A CG 1 ATOM 976 N ND1 . HIS A 1 125 ? 22.881 -2.354 2.554 1.00 15.85 ? 145 HIS A ND1 1 ATOM 977 C CD2 . HIS A 1 125 ? 22.538 -2.383 4.700 1.00 14.90 ? 145 HIS A CD2 1 ATOM 978 C CE1 . HIS A 1 125 ? 22.704 -3.608 2.899 1.00 16.13 ? 145 HIS A CE1 1 ATOM 979 N NE2 . HIS A 1 125 ? 22.496 -3.653 4.196 1.00 15.11 ? 145 HIS A NE2 1 ATOM 980 N N . ASP A 1 126 ? 24.625 2.867 4.647 1.00 15.50 ? 146 ASP A N 1 ATOM 981 C CA . ASP A 1 126 ? 25.126 4.184 4.268 1.00 17.24 ? 146 ASP A CA 1 ATOM 982 C C . ASP A 1 126 ? 26.271 4.607 5.204 1.00 17.54 ? 146 ASP A C 1 ATOM 983 O O . ASP A 1 126 ? 26.347 5.776 5.587 1.00 16.11 ? 146 ASP A O 1 ATOM 984 C CB . ASP A 1 126 ? 24.005 5.242 4.278 1.00 17.08 ? 146 ASP A CB 1 ATOM 985 C CG . ASP A 1 126 ? 22.788 4.842 3.422 1.00 18.35 ? 146 ASP A CG 1 ATOM 986 O OD1 . ASP A 1 126 ? 22.904 4.642 2.199 1.00 21.20 ? 146 ASP A OD1 1 ATOM 987 O OD2 . ASP A 1 126 ? 21.706 4.689 4.005 1.00 19.63 ? 146 ASP A OD2 1 ATOM 988 N N . GLU A 1 127 ? 27.183 3.685 5.532 1.00 16.01 ? 147 GLU A N 1 ATOM 989 C CA . GLU A 1 127 ? 28.149 3.919 6.589 1.00 14.61 ? 147 GLU A CA 1 ATOM 990 C C . GLU A 1 127 ? 29.344 3.035 6.493 1.00 15.49 ? 147 GLU A C 1 ATOM 991 O O . GLU A 1 127 ? 29.214 1.821 6.498 1.00 14.72 ? 147 GLU A O 1 ATOM 992 C CB . GLU A 1 127 ? 27.499 3.723 7.955 1.00 15.28 ? 147 GLU A CB 1 ATOM 993 C CG . GLU A 1 127 ? 28.403 3.971 9.179 1.00 16.40 ? 147 GLU A CG 1 ATOM 994 C CD . GLU A 1 127 ? 29.202 5.248 9.118 1.00 15.45 ? 147 GLU A CD 1 ATOM 995 O OE1 . GLU A 1 127 ? 28.608 6.336 8.896 1.00 16.01 ? 147 GLU A OE1 1 ATOM 996 O OE2 . GLU A 1 127 ? 30.428 5.135 9.269 1.00 16.66 ? 147 GLU A OE2 1 ATOM 997 N N . ASN A 1 128 ? 30.516 3.649 6.422 1.00 15.60 ? 148 ASN A N 1 ATOM 998 C CA . ASN A 1 128 ? 31.769 2.898 6.298 1.00 17.67 ? 148 ASN A CA 1 ATOM 999 C C . ASN A 1 128 ? 32.255 2.191 7.550 1.00 18.06 ? 148 ASN A C 1 ATOM 1000 O O . ASN A 1 128 ? 32.866 1.139 7.430 1.00 18.17 ? 148 ASN A O 1 ATOM 1001 C CB . ASN A 1 128 ? 32.901 3.811 5.857 1.00 17.91 ? 148 ASN A CB 1 ATOM 1002 C CG . ASN A 1 128 ? 34.158 3.023 5.445 1.00 19.31 ? 148 ASN A CG 1 ATOM 1003 O OD1 . ASN A 1 128 ? 34.093 2.266 4.525 1.00 18.74 ? 148 ASN A OD1 1 ATOM 1004 N ND2 . ASN A 1 128 ? 35.283 3.240 6.113 1.00 18.55 ? 148 ASN A ND2 1 ATOM 1005 N N . LEU A 1 129 ? 32.024 2.764 8.733 1.00 18.36 ? 149 LEU A N 1 ATOM 1006 C CA . LEU A 1 129 ? 32.565 2.229 9.997 1.00 19.43 ? 149 LEU A CA 1 ATOM 1007 C C . LEU A 1 129 ? 32.489 0.712 10.144 1.00 19.21 ? 149 LEU A C 1 ATOM 1008 O O . LEU A 1 129 ? 31.403 0.132 10.258 1.00 15.90 ? 149 LEU A O 1 ATOM 1009 C CB . LEU A 1 129 ? 31.884 2.850 11.233 1.00 20.10 ? 149 LEU A CB 1 ATOM 1010 C CG . LEU A 1 129 ? 32.524 2.508 12.594 1.00 22.40 ? 149 LEU A CG 1 ATOM 1011 C CD1 . LEU A 1 129 ? 33.905 3.155 12.717 1.00 24.70 ? 149 LEU A CD1 1 ATOM 1012 C CD2 . LEU A 1 129 ? 31.651 2.977 13.764 1.00 22.14 ? 149 LEU A CD2 1 ATOM 1013 N N . GLU A 1 130 ? 33.683 0.101 10.140 1.00 20.42 ? 150 GLU A N 1 ATOM 1014 C CA . GLU A 1 130 ? 33.867 -1.304 10.420 1.00 20.33 ? 150 GLU A CA 1 ATOM 1015 C C . GLU A 1 130 ? 33.037 -2.123 9.501 1.00 19.11 ? 150 GLU A C 1 ATOM 1016 O O . GLU A 1 130 ? 32.305 -2.982 9.954 1.00 20.27 ? 150 GLU A O 1 ATOM 1017 C CB . GLU A 1 130 ? 33.508 -1.595 11.878 1.00 23.51 ? 150 GLU A CB 1 ATOM 1018 C CG . GLU A 1 130 ? 34.261 -0.757 12.897 1.00 23.33 ? 150 GLU A CG 1 ATOM 1019 C CD . GLU A 1 130 ? 35.248 -1.539 13.723 0.50 26.75 ? 150 GLU A CD 1 ATOM 1020 O OE1 . GLU A 1 130 ? 35.531 -1.083 14.860 0.50 30.70 ? 150 GLU A OE1 1 ATOM 1021 O OE2 . GLU A 1 130 ? 35.752 -2.564 13.228 0.50 27.34 ? 150 GLU A OE2 1 ATOM 1022 N N . ALA A 1 131 ? 33.175 -1.871 8.197 1.00 20.00 ? 151 ALA A N 1 ATOM 1023 C CA . ALA A 1 131 ? 32.383 -2.567 7.158 1.00 20.15 ? 151 ALA A CA 1 ATOM 1024 C C . ALA A 1 131 ? 30.874 -2.460 7.443 1.00 20.62 ? 151 ALA A C 1 ATOM 1025 O O . ALA A 1 131 ? 30.140 -3.457 7.561 1.00 21.33 ? 151 ALA A O 1 ATOM 1026 C CB . ALA A 1 131 ? 32.818 -4.033 7.051 1.00 22.80 ? 151 ALA A CB 1 ATOM 1027 N N . GLY A 1 132 ? 30.424 -1.228 7.579 1.00 18.74 ? 152 GLY A N 1 ATOM 1028 C CA . GLY A 1 132 ? 29.021 -0.964 7.817 1.00 19.63 ? 152 GLY A CA 1 ATOM 1029 C C . GLY A 1 132 ? 28.519 -1.591 9.091 1.00 19.06 ? 152 GLY A C 1 ATOM 1030 O O . GLY A 1 132 ? 27.348 -1.978 9.166 1.00 18.15 ? 152 GLY A O 1 ATOM 1031 N N . GLY A 1 133 ? 29.399 -1.709 10.080 1.00 18.39 ? 153 GLY A N 1 ATOM 1032 C CA . GLY A 1 133 ? 29.038 -2.358 11.364 1.00 18.42 ? 153 GLY A CA 1 ATOM 1033 C C . GLY A 1 133 ? 29.075 -3.873 11.398 1.00 18.60 ? 153 GLY A C 1 ATOM 1034 O O . GLY A 1 133 ? 28.806 -4.468 12.461 1.00 19.23 ? 153 GLY A O 1 ATOM 1035 N N . ASN A 1 134 ? 29.402 -4.518 10.269 1.00 19.56 ? 154 ASN A N 1 ATOM 1036 C CA . ASN A 1 134 ? 29.599 -5.978 10.254 1.00 21.70 ? 154 ASN A CA 1 ATOM 1037 C C . ASN A 1 134 ? 30.748 -6.460 11.135 1.00 20.97 ? 154 ASN A C 1 ATOM 1038 O O . ASN A 1 134 ? 30.726 -7.598 11.611 1.00 18.85 ? 154 ASN A O 1 ATOM 1039 C CB . ASN A 1 134 ? 29.846 -6.483 8.832 1.00 23.11 ? 154 ASN A CB 1 ATOM 1040 C CG . ASN A 1 134 ? 28.567 -6.616 8.035 1.00 25.90 ? 154 ASN A CG 1 ATOM 1041 O OD1 . ASN A 1 134 ? 27.706 -7.469 8.322 1.00 27.22 ? 154 ASN A OD1 1 ATOM 1042 N ND2 . ASN A 1 134 ? 28.385 -5.736 7.087 1.00 26.42 ? 154 ASN A ND2 1 ATOM 1043 N N . GLY A 1 135 ? 31.750 -5.597 11.287 1.00 20.99 ? 155 GLY A N 1 ATOM 1044 C CA . GLY A 1 135 ? 32.861 -5.824 12.161 1.00 23.64 ? 155 GLY A CA 1 ATOM 1045 C C . GLY A 1 135 ? 32.649 -5.535 13.641 1.00 24.45 ? 155 GLY A C 1 ATOM 1046 O O . GLY A 1 135 ? 33.557 -5.710 14.397 1.00 26.70 ? 155 GLY A O 1 ATOM 1047 N N . ILE A 1 136 ? 31.475 -5.029 14.042 1.00 25.03 ? 156 ILE A N 1 ATOM 1048 C CA . ILE A 1 136 ? 31.196 -4.705 15.426 1.00 23.10 ? 156 ILE A CA 1 ATOM 1049 C C . ILE A 1 136 ? 30.368 -5.889 15.999 1.00 25.65 ? 156 ILE A C 1 ATOM 1050 O O . ILE A 1 136 ? 29.141 -5.985 15.809 1.00 20.54 ? 156 ILE A O 1 ATOM 1051 C CB . ILE A 1 136 ? 30.460 -3.369 15.548 1.00 23.35 ? 156 ILE A CB 1 ATOM 1052 C CG1 . ILE A 1 136 ? 31.286 -2.240 14.883 1.00 23.93 ? 156 ILE A CG1 1 ATOM 1053 C CG2 . ILE A 1 136 ? 30.112 -3.051 17.003 1.00 22.22 ? 156 ILE A CG2 1 ATOM 1054 C CD1 . ILE A 1 136 ? 30.554 -0.946 14.754 1.00 24.09 ? 156 ILE A CD1 1 ATOM 1055 N N . ASP A 1 137 ? 31.057 -6.778 16.723 1.00 25.08 ? 157 ASP A N 1 ATOM 1056 C CA . ASP A 1 137 ? 30.410 -7.902 17.379 1.00 25.60 ? 157 ASP A CA 1 ATOM 1057 C C . ASP A 1 137 ? 29.624 -7.353 18.543 1.00 21.65 ? 157 ASP A C 1 ATOM 1058 O O . ASP A 1 137 ? 30.090 -6.446 19.221 1.00 22.74 ? 157 ASP A O 1 ATOM 1059 C CB . ASP A 1 137 ? 31.439 -8.923 17.864 1.00 30.99 ? 157 ASP A CB 1 ATOM 1060 C CG . ASP A 1 137 ? 31.961 -9.822 16.731 1.00 36.41 ? 157 ASP A CG 1 ATOM 1061 O OD1 . ASP A 1 137 ? 31.329 -9.961 15.651 1.00 36.38 ? 157 ASP A OD1 1 ATOM 1062 O OD2 . ASP A 1 137 ? 33.017 -10.418 16.953 1.00 46.33 ? 157 ASP A OD2 1 ATOM 1063 N N . VAL A 1 138 ? 28.410 -7.867 18.713 1.00 19.29 ? 158 VAL A N 1 ATOM 1064 C CA . VAL A 1 138 ? 27.467 -7.436 19.774 1.00 19.61 ? 158 VAL A CA 1 ATOM 1065 C C . VAL A 1 138 ? 26.728 -8.645 20.270 1.00 20.02 ? 158 VAL A C 1 ATOM 1066 O O . VAL A 1 138 ? 26.694 -9.719 19.623 1.00 24.48 ? 158 VAL A O 1 ATOM 1067 C CB . VAL A 1 138 ? 26.394 -6.417 19.286 1.00 19.67 ? 158 VAL A CB 1 ATOM 1068 C CG1 . VAL A 1 138 ? 27.043 -5.202 18.699 1.00 19.37 ? 158 VAL A CG1 1 ATOM 1069 C CG2 . VAL A 1 138 ? 25.461 -7.039 18.218 1.00 20.46 ? 158 VAL A CG2 1 ATOM 1070 N N . THR A 1 139 ? 26.099 -8.464 21.411 1.00 20.70 ? 159 THR A N 1 ATOM 1071 C CA . THR A 1 139 ? 25.242 -9.475 21.991 1.00 20.65 ? 159 THR A CA 1 ATOM 1072 C C . THR A 1 139 ? 23.809 -9.003 21.803 1.00 19.15 ? 159 THR A C 1 ATOM 1073 O O . THR A 1 139 ? 23.504 -7.892 22.147 1.00 18.39 ? 159 THR A O 1 ATOM 1074 C CB . THR A 1 139 ? 25.546 -9.622 23.487 1.00 21.43 ? 159 THR A CB 1 ATOM 1075 O OG1 . THR A 1 139 ? 26.890 -10.053 23.619 1.00 21.81 ? 159 THR A OG1 1 ATOM 1076 C CG2 . THR A 1 139 ? 24.557 -10.577 24.209 1.00 21.46 ? 159 THR A CG2 1 ATOM 1077 N N . TYR A 1 140 ? 22.985 -9.876 21.254 1.00 20.77 ? 160 TYR A N 1 ATOM 1078 C CA . TYR A 1 140 ? 21.589 -9.622 21.020 1.00 22.40 ? 160 TYR A CA 1 ATOM 1079 C C . TYR A 1 140 ? 20.843 -10.838 21.568 1.00 22.04 ? 160 TYR A C 1 ATOM 1080 O O . TYR A 1 140 ? 20.978 -11.981 21.072 1.00 22.12 ? 160 TYR A O 1 ATOM 1081 C CB . TYR A 1 140 ? 21.263 -9.357 19.529 1.00 19.60 ? 160 TYR A CB 1 ATOM 1082 C CG . TYR A 1 140 ? 19.900 -8.742 19.365 1.00 19.94 ? 160 TYR A CG 1 ATOM 1083 C CD1 . TYR A 1 140 ? 18.774 -9.531 19.224 1.00 21.39 ? 160 TYR A CD1 1 ATOM 1084 C CD2 . TYR A 1 140 ? 19.719 -7.372 19.424 1.00 20.53 ? 160 TYR A CD2 1 ATOM 1085 C CE1 . TYR A 1 140 ? 17.522 -8.959 19.096 1.00 21.20 ? 160 TYR A CE1 1 ATOM 1086 C CE2 . TYR A 1 140 ? 18.468 -6.799 19.287 1.00 19.56 ? 160 TYR A CE2 1 ATOM 1087 C CZ . TYR A 1 140 ? 17.383 -7.585 19.164 1.00 19.60 ? 160 TYR A CZ 1 ATOM 1088 O OH . TYR A 1 140 ? 16.162 -6.994 19.072 1.00 19.55 ? 160 TYR A OH 1 ATOM 1089 N N . ASP A 1 141 ? 20.063 -10.586 22.607 1.00 24.47 ? 161 ASP A N 1 ATOM 1090 C CA . ASP A 1 141 ? 19.224 -11.630 23.225 1.00 26.36 ? 161 ASP A CA 1 ATOM 1091 C C . ASP A 1 141 ? 20.079 -12.827 23.662 1.00 25.15 ? 161 ASP A C 1 ATOM 1092 O O . ASP A 1 141 ? 19.796 -13.980 23.342 1.00 23.58 ? 161 ASP A O 1 ATOM 1093 C CB . ASP A 1 141 ? 18.097 -12.050 22.262 1.00 28.27 ? 161 ASP A CB 1 ATOM 1094 C CG . ASP A 1 141 ? 16.988 -12.865 22.960 1.00 30.55 ? 161 ASP A CG 1 ATOM 1095 O OD1 . ASP A 1 141 ? 16.718 -12.669 24.174 1.00 33.61 ? 161 ASP A OD1 1 ATOM 1096 O OD2 . ASP A 1 141 ? 16.417 -13.722 22.283 1.00 32.51 ? 161 ASP A OD2 1 ATOM 1097 N N . GLY A 1 142 ? 21.155 -12.511 24.370 1.00 26.02 ? 162 GLY A N 1 ATOM 1098 C CA . GLY A 1 142 ? 22.088 -13.511 24.860 1.00 27.41 ? 162 GLY A CA 1 ATOM 1099 C C . GLY A 1 142 ? 22.923 -14.243 23.829 1.00 26.82 ? 162 GLY A C 1 ATOM 1100 O O . GLY A 1 142 ? 23.620 -15.160 24.201 1.00 27.62 ? 162 GLY A O 1 ATOM 1101 N N . GLU A 1 143 ? 22.907 -13.824 22.568 1.00 27.51 ? 163 GLU A N 1 ATOM 1102 C CA . GLU A 1 143 ? 23.658 -14.513 21.514 1.00 30.09 ? 163 GLU A CA 1 ATOM 1103 C C . GLU A 1 143 ? 24.559 -13.505 20.801 1.00 29.25 ? 163 GLU A C 1 ATOM 1104 O O . GLU A 1 143 ? 24.156 -12.349 20.607 1.00 29.08 ? 163 GLU A O 1 ATOM 1105 C CB . GLU A 1 143 ? 22.718 -15.192 20.494 1.00 33.97 ? 163 GLU A CB 1 ATOM 1106 C CG . GLU A 1 143 ? 21.821 -16.305 21.066 1.00 39.09 ? 163 GLU A CG 1 ATOM 1107 C CD . GLU A 1 143 ? 22.597 -17.476 21.669 1.00 41.58 ? 163 GLU A CD 1 ATOM 1108 O OE1 . GLU A 1 143 ? 22.088 -18.083 22.630 1.00 43.58 ? 163 GLU A OE1 1 ATOM 1109 O OE2 . GLU A 1 143 ? 23.731 -17.797 21.214 1.00 44.45 ? 163 GLU A OE2 1 ATOM 1110 N N . THR A 1 144 ? 25.742 -13.979 20.369 1.00 24.42 ? 164 THR A N 1 ATOM 1111 C CA . THR A 1 144 ? 26.688 -13.167 19.647 1.00 24.90 ? 164 THR A CA 1 ATOM 1112 C C . THR A 1 144 ? 26.244 -12.997 18.178 1.00 24.45 ? 164 THR A C 1 ATOM 1113 O O . THR A 1 144 ? 25.887 -13.967 17.493 1.00 27.18 ? 164 THR A O 1 ATOM 1114 C CB . THR A 1 144 ? 28.099 -13.775 19.686 1.00 26.29 ? 164 THR A CB 1 ATOM 1115 O OG1 . THR A 1 144 ? 28.593 -13.696 21.015 1.00 26.15 ? 164 THR A OG1 1 ATOM 1116 C CG2 . THR A 1 144 ? 29.122 -12.997 18.798 1.00 27.46 ? 164 THR A CG2 1 ATOM 1117 N N . THR A 1 145 ? 26.332 -11.772 17.694 1.00 22.50 ? 165 THR A N 1 ATOM 1118 C CA . THR A 1 145 ? 26.076 -11.461 16.267 1.00 22.01 ? 165 THR A CA 1 ATOM 1119 C C . THR A 1 145 ? 26.869 -10.190 16.007 1.00 20.13 ? 165 THR A C 1 ATOM 1120 O O . THR A 1 145 ? 27.866 -9.949 16.676 1.00 20.46 ? 165 THR A O 1 ATOM 1121 C CB . THR A 1 145 ? 24.531 -11.341 15.959 1.00 22.09 ? 165 THR A CB 1 ATOM 1122 O OG1 . THR A 1 145 ? 24.290 -11.100 14.553 1.00 24.74 ? 165 THR A OG1 1 ATOM 1123 C CG2 . THR A 1 145 ? 23.933 -10.245 16.724 1.00 21.56 ? 165 THR A CG2 1 ATOM 1124 N N . ASN A 1 146 ? 26.468 -9.400 15.011 1.00 20.08 ? 166 ASN A N 1 ATOM 1125 C CA . ASN A 1 146 ? 27.054 -8.085 14.802 1.00 19.30 ? 166 ASN A CA 1 ATOM 1126 C C . ASN A 1 146 ? 25.987 -7.005 14.578 1.00 18.37 ? 166 ASN A C 1 ATOM 1127 O O . ASN A 1 146 ? 24.788 -7.291 14.354 1.00 17.44 ? 166 ASN A O 1 ATOM 1128 C CB . ASN A 1 146 ? 28.051 -8.131 13.655 1.00 19.66 ? 166 ASN A CB 1 ATOM 1129 C CG . ASN A 1 146 ? 27.379 -8.380 12.327 1.00 19.67 ? 166 ASN A CG 1 ATOM 1130 O OD1 . ASN A 1 146 ? 26.676 -7.494 11.772 1.00 19.13 ? 166 ASN A OD1 1 ATOM 1131 N ND2 . ASN A 1 146 ? 27.533 -9.582 11.824 1.00 18.91 ? 166 ASN A ND2 1 ATOM 1132 N N . LEU A 1 147 ? 26.458 -5.766 14.689 1.00 17.85 ? 167 LEU A N 1 ATOM 1133 C CA . LEU A 1 147 ? 25.616 -4.619 14.719 1.00 18.37 ? 167 LEU A CA 1 ATOM 1134 C C . LEU A 1 147 ? 24.855 -4.468 13.385 1.00 17.58 ? 167 LEU A C 1 ATOM 1135 O O . LEU A 1 147 ? 23.675 -4.095 13.373 1.00 15.41 ? 167 LEU A O 1 ATOM 1136 C CB . LEU A 1 147 ? 26.430 -3.347 14.943 1.00 18.50 ? 167 LEU A CB 1 ATOM 1137 C CG . LEU A 1 147 ? 25.570 -2.103 15.153 1.00 18.63 ? 167 LEU A CG 1 ATOM 1138 C CD1 . LEU A 1 147 ? 24.734 -2.180 16.444 1.00 18.02 ? 167 LEU A CD1 1 ATOM 1139 C CD2 . LEU A 1 147 ? 26.471 -0.892 15.175 1.00 21.01 ? 167 LEU A CD2 1 ATOM 1140 N N . HIS A 1 148 ? 25.551 -4.710 12.278 1.00 16.38 ? 168 HIS A N 1 ATOM 1141 C CA . HIS A 1 148 ? 24.871 -4.681 10.987 1.00 17.28 ? 168 HIS A CA 1 ATOM 1142 C C . HIS A 1 148 ? 23.711 -5.688 10.884 1.00 17.62 ? 168 HIS A C 1 ATOM 1143 O O . HIS A 1 148 ? 22.610 -5.349 10.412 1.00 19.95 ? 168 HIS A O 1 ATOM 1144 C CB . HIS A 1 148 ? 25.861 -4.925 9.877 1.00 17.71 ? 168 HIS A CB 1 ATOM 1145 C CG . HIS A 1 148 ? 25.265 -4.702 8.540 1.00 18.83 ? 168 HIS A CG 1 ATOM 1146 N ND1 . HIS A 1 148 ? 25.546 -3.603 7.769 1.00 16.98 ? 168 HIS A ND1 1 ATOM 1147 C CD2 . HIS A 1 148 ? 24.360 -5.437 7.857 1.00 17.37 ? 168 HIS A CD2 1 ATOM 1148 C CE1 . HIS A 1 148 ? 24.864 -3.693 6.646 1.00 16.99 ? 168 HIS A CE1 1 ATOM 1149 N NE2 . HIS A 1 148 ? 24.087 -4.761 6.710 1.00 17.23 ? 168 HIS A NE2 1 ATOM 1150 N N . HIS A 1 149 ? 23.961 -6.909 11.362 1.00 16.75 ? 169 HIS A N 1 ATOM 1151 C CA . HIS A 1 149 ? 22.996 -7.991 11.378 1.00 17.72 ? 169 HIS A CA 1 ATOM 1152 C C . HIS A 1 149 ? 21.734 -7.634 12.163 1.00 17.23 ? 169 HIS A C 1 ATOM 1153 O O . HIS A 1 149 ? 20.623 -7.989 11.737 1.00 17.66 ? 169 HIS A O 1 ATOM 1154 C CB . HIS A 1 149 ? 23.650 -9.256 11.941 1.00 18.43 ? 169 HIS A CB 1 ATOM 1155 C CG . HIS A 1 149 ? 22.989 -10.540 11.566 1.00 19.07 ? 169 HIS A CG 1 ATOM 1156 N ND1 . HIS A 1 149 ? 21.916 -11.054 12.259 1.00 20.95 ? 169 HIS A ND1 1 ATOM 1157 C CD2 . HIS A 1 149 ? 23.321 -11.482 10.659 1.00 22.06 ? 169 HIS A CD2 1 ATOM 1158 C CE1 . HIS A 1 149 ? 21.562 -12.212 11.745 1.00 21.54 ? 169 HIS A CE1 1 ATOM 1159 N NE2 . HIS A 1 149 ? 22.399 -12.497 10.765 1.00 22.16 ? 169 HIS A NE2 1 ATOM 1160 N N . ILE A 1 150 ? 21.868 -6.972 13.309 1.00 17.00 ? 170 ILE A N 1 ATOM 1161 C CA . ILE A 1 150 ? 20.665 -6.727 14.125 1.00 16.94 ? 170 ILE A CA 1 ATOM 1162 C C . ILE A 1 150 ? 19.812 -5.654 13.461 1.00 16.65 ? 170 ILE A C 1 ATOM 1163 O O . ILE A 1 150 ? 18.601 -5.685 13.615 1.00 16.37 ? 170 ILE A O 1 ATOM 1164 C CB . ILE A 1 150 ? 20.944 -6.415 15.619 1.00 15.52 ? 170 ILE A CB 1 ATOM 1165 C CG1 . ILE A 1 150 ? 21.631 -5.071 15.820 1.00 16.10 ? 170 ILE A CG1 1 ATOM 1166 C CG2 . ILE A 1 150 ? 21.718 -7.607 16.241 1.00 16.04 ? 170 ILE A CG2 1 ATOM 1167 C CD1 . ILE A 1 150 ? 21.602 -4.671 17.309 1.00 16.53 ? 170 ILE A CD1 1 ATOM 1168 N N . TRP A 1 151 ? 20.452 -4.735 12.737 1.00 15.54 ? 171 TRP A N 1 ATOM 1169 C CA . TRP A 1 151 ? 19.687 -3.747 11.946 1.00 16.87 ? 171 TRP A CA 1 ATOM 1170 C C . TRP A 1 151 ? 19.039 -4.364 10.689 1.00 16.99 ? 171 TRP A C 1 ATOM 1171 O O . TRP A 1 151 ? 17.891 -4.055 10.404 1.00 18.31 ? 171 TRP A O 1 ATOM 1172 C CB . TRP A 1 151 ? 20.540 -2.505 11.611 1.00 16.27 ? 171 TRP A CB 1 ATOM 1173 C CG . TRP A 1 151 ? 20.556 -1.578 12.760 1.00 16.30 ? 171 TRP A CG 1 ATOM 1174 C CD1 . TRP A 1 151 ? 21.375 -1.647 13.876 1.00 17.66 ? 171 TRP A CD1 1 ATOM 1175 C CD2 . TRP A 1 151 ? 19.716 -0.459 12.961 1.00 15.80 ? 171 TRP A CD2 1 ATOM 1176 N NE1 . TRP A 1 151 ? 21.101 -0.630 14.732 1.00 16.80 ? 171 TRP A NE1 1 ATOM 1177 C CE2 . TRP A 1 151 ? 20.064 0.106 14.233 1.00 16.39 ? 171 TRP A CE2 1 ATOM 1178 C CE3 . TRP A 1 151 ? 18.686 0.121 12.225 1.00 16.37 ? 171 TRP A CE3 1 ATOM 1179 C CZ2 . TRP A 1 151 ? 19.423 1.209 14.758 1.00 16.80 ? 171 TRP A CZ2 1 ATOM 1180 C CZ3 . TRP A 1 151 ? 18.029 1.250 12.751 1.00 16.22 ? 171 TRP A CZ3 1 ATOM 1181 C CH2 . TRP A 1 151 ? 18.401 1.788 14.008 1.00 16.20 ? 171 TRP A CH2 1 ATOM 1182 N N . ASP A 1 152 ? 19.781 -5.197 9.949 1.00 16.70 ? 172 ASP A N 1 ATOM 1183 C CA . ASP A 1 152 ? 19.236 -5.938 8.835 1.00 17.03 ? 172 ASP A CA 1 ATOM 1184 C C . ASP A 1 152 ? 18.063 -6.839 9.171 1.00 17.11 ? 172 ASP A C 1 ATOM 1185 O O . ASP A 1 152 ? 17.077 -6.867 8.421 1.00 17.90 ? 172 ASP A O 1 ATOM 1186 C CB . ASP A 1 152 ? 20.297 -6.786 8.145 1.00 16.82 ? 172 ASP A CB 1 ATOM 1187 C CG . ASP A 1 152 ? 21.011 -6.033 7.032 1.00 17.63 ? 172 ASP A CG 1 ATOM 1188 O OD1 . ASP A 1 152 ? 20.680 -4.872 6.729 1.00 18.01 ? 172 ASP A OD1 1 ATOM 1189 O OD2 . ASP A 1 152 ? 21.956 -6.631 6.515 1.00 18.04 ? 172 ASP A OD2 1 ATOM 1190 N N . THR A 1 153 ? 18.178 -7.563 10.291 1.00 18.08 ? 173 THR A N 1 ATOM 1191 C CA . THR A 1 153 ? 17.423 -8.785 10.508 1.00 17.53 ? 173 THR A CA 1 ATOM 1192 C C . THR A 1 153 ? 16.845 -8.985 11.901 1.00 18.20 ? 173 THR A C 1 ATOM 1193 O O . THR A 1 153 ? 15.622 -9.042 12.042 1.00 16.34 ? 173 THR A O 1 ATOM 1194 C CB . THR A 1 153 ? 18.317 -9.961 10.139 1.00 18.18 ? 173 THR A CB 1 ATOM 1195 O OG1 . THR A 1 153 ? 18.546 -9.881 8.749 1.00 19.00 ? 173 THR A OG1 1 ATOM 1196 C CG2 . THR A 1 153 ? 17.660 -11.355 10.465 1.00 18.73 ? 173 THR A CG2 1 ATOM 1197 N N . ASN A 1 154 ? 17.691 -9.110 12.929 1.00 18.71 ? 174 ASN A N 1 ATOM 1198 C CA . ASN A 1 154 ? 17.180 -9.410 14.279 1.00 17.71 ? 174 ASN A CA 1 ATOM 1199 C C . ASN A 1 154 ? 16.081 -8.444 14.744 1.00 17.07 ? 174 ASN A C 1 ATOM 1200 O O . ASN A 1 154 ? 14.984 -8.852 15.224 1.00 16.08 ? 174 ASN A O 1 ATOM 1201 C CB . ASN A 1 154 ? 18.283 -9.417 15.317 1.00 18.37 ? 174 ASN A CB 1 ATOM 1202 C CG . ASN A 1 154 ? 19.388 -10.380 14.970 1.00 19.94 ? 174 ASN A CG 1 ATOM 1203 O OD1 . ASN A 1 154 ? 20.188 -10.111 14.110 1.00 17.84 ? 174 ASN A OD1 1 ATOM 1204 N ND2 . ASN A 1 154 ? 19.417 -11.539 15.639 1.00 20.92 ? 174 ASN A ND2 1 ATOM 1205 N N . MET A 1 155 ? 16.344 -7.152 14.584 1.00 15.87 ? 175 MET A N 1 ATOM 1206 C CA . MET A 1 155 ? 15.422 -6.178 15.159 1.00 17.11 ? 175 MET A CA 1 ATOM 1207 C C . MET A 1 155 ? 14.138 -6.048 14.336 1.00 15.78 ? 175 MET A C 1 ATOM 1208 O O . MET A 1 155 ? 13.004 -6.048 14.907 1.00 16.60 ? 175 MET A O 1 ATOM 1209 C CB . MET A 1 155 ? 16.112 -4.830 15.391 1.00 17.06 ? 175 MET A CB 1 ATOM 1210 C CG . MET A 1 155 ? 17.163 -4.882 16.491 1.00 19.45 ? 175 MET A CG 1 ATOM 1211 S SD . MET A 1 155 ? 17.708 -3.264 17.129 1.00 19.63 ? 175 MET A SD 1 ATOM 1212 C CE . MET A 1 155 ? 18.153 -2.473 15.569 1.00 22.21 ? 175 MET A CE 1 ATOM 1213 N N . PRO A 1 156 ? 14.271 -5.972 13.005 1.00 15.29 ? 176 PRO A N 1 ATOM 1214 C CA . PRO A 1 156 ? 12.999 -5.998 12.255 1.00 16.01 ? 176 PRO A CA 1 ATOM 1215 C C . PRO A 1 156 ? 12.134 -7.240 12.404 1.00 15.98 ? 176 PRO A C 1 ATOM 1216 O O . PRO A 1 156 ? 10.896 -7.109 12.510 1.00 17.29 ? 176 PRO A O 1 ATOM 1217 C CB . PRO A 1 156 ? 13.422 -5.789 10.782 1.00 16.63 ? 176 PRO A CB 1 ATOM 1218 C CG . PRO A 1 156 ? 14.757 -5.118 10.856 1.00 15.93 ? 176 PRO A CG 1 ATOM 1219 C CD . PRO A 1 156 ? 15.419 -5.573 12.150 1.00 16.03 ? 176 PRO A CD 1 ATOM 1220 N N . GLU A 1 157 ? 12.764 -8.402 12.438 1.00 16.81 ? 177 GLU A N 1 ATOM 1221 C CA . GLU A 1 157 ? 12.038 -9.670 12.574 1.00 18.15 ? 177 GLU A CA 1 ATOM 1222 C C . GLU A 1 157 ? 11.367 -9.716 13.943 1.00 18.60 ? 177 GLU A C 1 ATOM 1223 O O . GLU A 1 157 ? 10.227 -10.163 14.092 1.00 20.36 ? 177 GLU A O 1 ATOM 1224 C CB . GLU A 1 157 ? 12.966 -10.881 12.364 1.00 18.23 ? 177 GLU A CB 1 ATOM 1225 C CG . GLU A 1 157 ? 13.287 -11.154 10.890 1.00 19.75 ? 177 GLU A CG 1 ATOM 1226 C CD . GLU A 1 157 ? 14.129 -12.406 10.642 1.00 18.99 ? 177 GLU A CD 1 ATOM 1227 O OE1 . GLU A 1 157 ? 14.464 -12.705 9.459 1.00 22.44 ? 177 GLU A OE1 1 ATOM 1228 O OE2 . GLU A 1 157 ? 14.464 -13.103 11.612 1.00 19.52 ? 177 GLU A OE2 1 ATOM 1229 N N . GLU A 1 158 ? 12.047 -9.240 14.955 1.00 17.94 ? 178 GLU A N 1 ATOM 1230 C CA . GLU A 1 158 ? 11.397 -9.120 16.267 1.00 19.96 ? 178 GLU A CA 1 ATOM 1231 C C . GLU A 1 158 ? 10.209 -8.193 16.252 1.00 17.87 ? 178 GLU A C 1 ATOM 1232 O O . GLU A 1 158 ? 9.138 -8.522 16.732 1.00 18.10 ? 178 GLU A O 1 ATOM 1233 C CB . GLU A 1 158 ? 12.420 -8.642 17.322 1.00 20.66 ? 178 GLU A CB 1 ATOM 1234 C CG . GLU A 1 158 ? 11.846 -8.509 18.697 1.00 23.27 ? 178 GLU A CG 1 ATOM 1235 C CD . GLU A 1 158 ? 12.894 -8.290 19.803 1.00 27.32 ? 178 GLU A CD 1 ATOM 1236 O OE1 . GLU A 1 158 ? 12.433 -7.876 20.899 1.00 30.10 ? 178 GLU A OE1 1 ATOM 1237 O OE2 . GLU A 1 158 ? 14.126 -8.531 19.612 1.00 25.99 ? 178 GLU A OE2 1 ATOM 1238 N N . ALA A 1 159 ? 10.392 -6.988 15.742 1.00 17.38 ? 179 ALA A N 1 ATOM 1239 C CA . ALA A 1 159 ? 9.258 -6.071 15.691 1.00 18.85 ? 179 ALA A CA 1 ATOM 1240 C C . ALA A 1 159 ? 8.072 -6.626 14.816 1.00 19.35 ? 179 ALA A C 1 ATOM 1241 O O . ALA A 1 159 ? 6.920 -6.405 15.155 1.00 19.33 ? 179 ALA A O 1 ATOM 1242 C CB . ALA A 1 159 ? 9.684 -4.708 15.210 1.00 17.42 ? 179 ALA A CB 1 ATOM 1243 N N . ALA A 1 160 ? 8.366 -7.286 13.682 1.00 19.23 ? 180 ALA A N 1 ATOM 1244 C CA . ALA A 1 160 ? 7.329 -7.769 12.779 1.00 18.63 ? 180 ALA A CA 1 ATOM 1245 C C . ALA A 1 160 ? 6.619 -8.998 13.387 1.00 20.30 ? 180 ALA A C 1 ATOM 1246 O O . ALA A 1 160 ? 5.484 -9.322 12.986 1.00 20.74 ? 180 ALA A O 1 ATOM 1247 C CB . ALA A 1 160 ? 7.924 -8.139 11.424 1.00 18.60 ? 180 ALA A CB 1 ATOM 1248 N N . GLY A 1 161 ? 7.317 -9.685 14.317 1.00 19.53 ? 181 GLY A N 1 ATOM 1249 C CA . GLY A 1 161 ? 6.879 -10.967 14.872 1.00 19.91 ? 181 GLY A CA 1 ATOM 1250 C C . GLY A 1 161 ? 7.180 -12.149 13.979 1.00 20.24 ? 181 GLY A C 1 ATOM 1251 O O . GLY A 1 161 ? 6.442 -13.116 14.028 1.00 23.02 ? 181 GLY A O 1 ATOM 1252 N N . GLY A 1 162 ? 8.258 -12.125 13.184 1.00 19.25 ? 182 GLY A N 1 ATOM 1253 C CA . GLY A 1 162 ? 8.582 -13.257 12.307 1.00 20.29 ? 182 GLY A CA 1 ATOM 1254 C C . GLY A 1 162 ? 9.254 -12.822 11.028 1.00 21.70 ? 182 GLY A C 1 ATOM 1255 O O . GLY A 1 162 ? 9.736 -11.695 10.929 1.00 22.28 ? 182 GLY A O 1 ATOM 1256 N N . TYR A 1 163 ? 9.258 -13.702 10.035 1.00 20.76 ? 183 TYR A N 1 ATOM 1257 C CA . TYR A 1 163 ? 9.995 -13.487 8.841 1.00 21.83 ? 183 TYR A CA 1 ATOM 1258 C C . TYR A 1 163 ? 9.383 -14.020 7.550 1.00 21.27 ? 183 TYR A C 1 ATOM 1259 O O . TYR A 1 163 ? 10.051 -14.019 6.493 1.00 24.79 ? 183 TYR A O 1 ATOM 1260 C CB . TYR A 1 163 ? 11.410 -14.053 9.037 1.00 22.48 ? 183 TYR A CB 1 ATOM 1261 C CG . TYR A 1 163 ? 11.448 -15.526 9.404 1.00 24.29 ? 183 TYR A CG 1 ATOM 1262 C CD1 . TYR A 1 163 ? 11.318 -16.529 8.422 1.00 22.13 ? 183 TYR A CD1 1 ATOM 1263 C CD2 . TYR A 1 163 ? 11.669 -15.933 10.734 1.00 26.12 ? 183 TYR A CD2 1 ATOM 1264 C CE1 . TYR A 1 163 ? 11.378 -17.885 8.768 1.00 23.72 ? 183 TYR A CE1 1 ATOM 1265 C CE2 . TYR A 1 163 ? 11.742 -17.293 11.074 1.00 27.05 ? 183 TYR A CE2 1 ATOM 1266 C CZ . TYR A 1 163 ? 11.568 -18.255 10.066 1.00 24.52 ? 183 TYR A CZ 1 ATOM 1267 O OH . TYR A 1 163 ? 11.617 -19.585 10.383 1.00 25.28 ? 183 TYR A OH 1 ATOM 1268 N N . SER A 1 164 ? 8.157 -14.491 7.594 1.00 23.15 ? 184 SER A N 1 ATOM 1269 C CA . SER A 1 164 ? 7.546 -15.084 6.400 1.00 23.71 ? 184 SER A CA 1 ATOM 1270 C C . SER A 1 164 ? 6.970 -13.961 5.526 1.00 24.83 ? 184 SER A C 1 ATOM 1271 O O . SER A 1 164 ? 6.826 -12.822 5.981 1.00 20.26 ? 184 SER A O 1 ATOM 1272 C CB . SER A 1 164 ? 6.459 -16.045 6.850 1.00 22.64 ? 184 SER A CB 1 ATOM 1273 O OG . SER A 1 164 ? 5.427 -15.340 7.470 1.00 23.10 ? 184 SER A OG 1 ATOM 1274 N N . LEU A 1 165 ? 6.637 -14.280 4.283 1.00 25.72 ? 185 LEU A N 1 ATOM 1275 C CA . LEU A 1 165 ? 5.979 -13.334 3.421 1.00 27.74 ? 185 LEU A CA 1 ATOM 1276 C C . LEU A 1 165 ? 4.696 -12.783 4.074 1.00 25.27 ? 185 LEU A C 1 ATOM 1277 O O . LEU A 1 165 ? 4.446 -11.585 3.984 1.00 21.65 ? 185 LEU A O 1 ATOM 1278 C CB . LEU A 1 165 ? 5.702 -13.927 2.019 1.00 30.80 ? 185 LEU A CB 1 ATOM 1279 C CG . LEU A 1 165 ? 6.972 -13.997 1.134 1.00 34.64 ? 185 LEU A CG 1 ATOM 1280 C CD1 . LEU A 1 165 ? 6.922 -15.154 0.105 1.00 37.77 ? 185 LEU A CD1 1 ATOM 1281 C CD2 . LEU A 1 165 ? 7.263 -12.653 0.411 1.00 34.57 ? 185 LEU A CD2 1 ATOM 1282 N N . SER A 1 166 ? 3.898 -13.638 4.718 1.00 23.97 ? 186 SER A N 1 ATOM 1283 C CA . SER A 1 166 ? 2.634 -13.199 5.300 1.00 22.96 ? 186 SER A CA 1 ATOM 1284 C C . SER A 1 166 ? 2.881 -12.294 6.473 1.00 21.35 ? 186 SER A C 1 ATOM 1285 O O . SER A 1 166 ? 2.103 -11.326 6.672 1.00 20.88 ? 186 SER A O 1 ATOM 1286 C CB . SER A 1 166 ? 1.771 -14.372 5.784 1.00 26.35 ? 186 SER A CB 1 ATOM 1287 O OG . SER A 1 166 ? 2.589 -15.246 6.512 1.00 30.00 ? 186 SER A OG 1 ATOM 1288 N N . VAL A 1 167 ? 3.934 -12.577 7.261 1.00 19.38 ? 187 VAL A N 1 ATOM 1289 C CA . VAL A 1 167 ? 4.344 -11.614 8.326 1.00 18.51 ? 187 VAL A CA 1 ATOM 1290 C C . VAL A 1 167 ? 4.807 -10.242 7.733 1.00 16.94 ? 187 VAL A C 1 ATOM 1291 O O . VAL A 1 167 ? 4.477 -9.193 8.270 1.00 16.19 ? 187 VAL A O 1 ATOM 1292 C CB . VAL A 1 167 ? 5.436 -12.221 9.231 1.00 19.62 ? 187 VAL A CB 1 ATOM 1293 C CG1 . VAL A 1 167 ? 6.065 -11.174 10.155 1.00 20.99 ? 187 VAL A CG1 1 ATOM 1294 C CG2 . VAL A 1 167 ? 4.855 -13.399 10.048 1.00 18.94 ? 187 VAL A CG2 1 ATOM 1295 N N . ALA A 1 168 ? 5.567 -10.280 6.650 1.00 16.43 ? 188 ALA A N 1 ATOM 1296 C CA . ALA A 1 168 ? 5.999 -9.052 5.926 1.00 17.31 ? 188 ALA A CA 1 ATOM 1297 C C . ALA A 1 168 ? 4.813 -8.241 5.423 1.00 17.90 ? 188 ALA A C 1 ATOM 1298 O O . ALA A 1 168 ? 4.736 -7.006 5.581 1.00 18.36 ? 188 ALA A O 1 ATOM 1299 C CB . ALA A 1 168 ? 6.909 -9.406 4.773 1.00 16.75 ? 188 ALA A CB 1 ATOM 1300 N N . LYS A 1 169 ? 3.831 -8.947 4.887 1.00 19.17 ? 189 LYS A N 1 ATOM 1301 C CA . LYS A 1 169 ? 2.596 -8.327 4.483 1.00 18.99 ? 189 LYS A CA 1 ATOM 1302 C C . LYS A 1 169 ? 1.824 -7.664 5.624 1.00 18.59 ? 189 LYS A C 1 ATOM 1303 O O . LYS A 1 169 ? 1.302 -6.551 5.510 1.00 18.25 ? 189 LYS A O 1 ATOM 1304 C CB . LYS A 1 169 ? 1.731 -9.331 3.774 1.00 19.85 ? 189 LYS A CB 1 ATOM 1305 C CG . LYS A 1 169 ? 0.357 -8.826 3.371 1.00 20.84 ? 189 LYS A CG 1 ATOM 1306 C CD . LYS A 1 169 ? 0.394 -7.570 2.553 1.00 23.67 ? 189 LYS A CD 1 ATOM 1307 C CE . LYS A 1 169 ? -1.008 -7.338 1.947 1.00 27.08 ? 189 LYS A CE 1 ATOM 1308 N NZ . LYS A 1 169 ? -1.037 -5.999 1.308 1.00 27.81 ? 189 LYS A NZ 1 ATOM 1309 N N . THR A 1 170 ? 1.707 -8.355 6.724 1.00 19.99 ? 190 THR A N 1 ATOM 1310 C CA . THR A 1 170 ? 1.031 -7.780 7.874 1.00 20.52 ? 190 THR A CA 1 ATOM 1311 C C . THR A 1 170 ? 1.784 -6.544 8.379 1.00 18.57 ? 190 THR A C 1 ATOM 1312 O O . THR A 1 170 ? 1.169 -5.505 8.728 1.00 18.07 ? 190 THR A O 1 ATOM 1313 C CB . THR A 1 170 ? 0.875 -8.850 8.965 1.00 21.34 ? 190 THR A CB 1 ATOM 1314 O OG1 . THR A 1 170 ? 0.002 -9.876 8.449 1.00 19.80 ? 190 THR A OG1 1 ATOM 1315 C CG2 . THR A 1 170 ? 0.223 -8.253 10.221 1.00 21.14 ? 190 THR A CG2 1 ATOM 1316 N N . TYR A 1 171 ? 3.111 -6.655 8.384 1.00 17.21 ? 191 TYR A N 1 ATOM 1317 C CA . TYR A 1 171 ? 3.971 -5.534 8.807 1.00 17.05 ? 191 TYR A CA 1 ATOM 1318 C C . TYR A 1 171 ? 3.834 -4.321 7.877 1.00 15.42 ? 191 TYR A C 1 ATOM 1319 O O . TYR A 1 171 ? 3.785 -3.167 8.322 1.00 15.79 ? 191 TYR A O 1 ATOM 1320 C CB . TYR A 1 171 ? 5.423 -5.993 8.873 1.00 15.91 ? 191 TYR A CB 1 ATOM 1321 C CG . TYR A 1 171 ? 6.360 -5.191 9.785 1.00 17.65 ? 191 TYR A CG 1 ATOM 1322 C CD1 . TYR A 1 171 ? 5.948 -4.670 11.012 1.00 18.61 ? 191 TYR A CD1 1 ATOM 1323 C CD2 . TYR A 1 171 ? 7.677 -5.047 9.456 1.00 17.50 ? 191 TYR A CD2 1 ATOM 1324 C CE1 . TYR A 1 171 ? 6.842 -3.992 11.827 1.00 18.56 ? 191 TYR A CE1 1 ATOM 1325 C CE2 . TYR A 1 171 ? 8.556 -4.404 10.262 1.00 17.63 ? 191 TYR A CE2 1 ATOM 1326 C CZ . TYR A 1 171 ? 8.146 -3.885 11.438 1.00 18.13 ? 191 TYR A CZ 1 ATOM 1327 O OH . TYR A 1 171 ? 9.040 -3.271 12.217 1.00 17.41 ? 191 TYR A OH 1 ATOM 1328 N N . ALA A 1 172 ? 3.892 -4.591 6.585 1.00 16.48 ? 192 ALA A N 1 ATOM 1329 C CA . ALA A 1 172 ? 3.688 -3.580 5.566 1.00 16.91 ? 192 ALA A CA 1 ATOM 1330 C C . ALA A 1 172 ? 2.338 -2.861 5.781 1.00 16.93 ? 192 ALA A C 1 ATOM 1331 O O . ALA A 1 172 ? 2.287 -1.651 5.786 1.00 16.99 ? 192 ALA A O 1 ATOM 1332 C CB . ALA A 1 172 ? 3.736 -4.195 4.199 1.00 16.42 ? 192 ALA A CB 1 ATOM 1333 N N . ASP A 1 173 ? 1.282 -3.640 6.042 1.00 17.65 ? 193 ASP A N 1 ATOM 1334 C CA . ASP A 1 173 ? -0.060 -3.067 6.280 1.00 18.60 ? 193 ASP A CA 1 ATOM 1335 C C . ASP A 1 173 ? -0.098 -2.129 7.432 1.00 17.08 ? 193 ASP A C 1 ATOM 1336 O O . ASP A 1 173 ? -0.715 -1.042 7.350 1.00 16.58 ? 193 ASP A O 1 ATOM 1337 C CB . ASP A 1 173 ? -1.170 -4.147 6.377 1.00 19.04 ? 193 ASP A CB 1 ATOM 1338 C CG . ASP A 1 173 ? -1.503 -4.739 4.971 1.00 20.25 ? 193 ASP A CG 1 ATOM 1339 O OD1 . ASP A 1 173 ? -1.000 -4.250 3.945 1.00 20.56 ? 193 ASP A OD1 1 ATOM 1340 O OD2 . ASP A 1 173 ? -2.175 -5.744 4.868 1.00 21.91 ? 193 ASP A OD2 1 ATOM 1341 N N . LEU A 1 174 ? 0.589 -2.517 8.504 1.00 18.09 ? 194 LEU A N 1 ATOM 1342 C CA . LEU A 1 174 ? 0.630 -1.702 9.721 1.00 17.48 ? 194 LEU A CA 1 ATOM 1343 C C . LEU A 1 174 ? 1.326 -0.348 9.377 1.00 15.90 ? 194 LEU A C 1 ATOM 1344 O O . LEU A 1 174 ? 0.834 0.758 9.688 1.00 16.40 ? 194 LEU A O 1 ATOM 1345 C CB . LEU A 1 174 ? 1.384 -2.466 10.788 1.00 19.35 ? 194 LEU A CB 1 ATOM 1346 C CG . LEU A 1 174 ? 1.627 -1.698 12.078 1.00 22.56 ? 194 LEU A CG 1 ATOM 1347 C CD1 . LEU A 1 174 ? 0.314 -1.740 12.880 1.00 24.78 ? 194 LEU A CD1 1 ATOM 1348 C CD2 . LEU A 1 174 ? 2.795 -2.272 12.876 1.00 25.69 ? 194 LEU A CD2 1 ATOM 1349 N N . LEU A 1 175 ? 2.456 -0.452 8.724 1.00 14.26 ? 195 LEU A N 1 ATOM 1350 C CA . LEU A 1 175 ? 3.237 0.749 8.379 1.00 16.28 ? 195 LEU A CA 1 ATOM 1351 C C . LEU A 1 175 ? 2.533 1.633 7.337 1.00 15.80 ? 195 LEU A C 1 ATOM 1352 O O . LEU A 1 175 ? 2.655 2.854 7.383 1.00 15.73 ? 195 LEU A O 1 ATOM 1353 C CB . LEU A 1 175 ? 4.672 0.339 7.910 1.00 15.77 ? 195 LEU A CB 1 ATOM 1354 C CG . LEU A 1 175 ? 5.502 -0.375 9.031 1.00 16.94 ? 195 LEU A CG 1 ATOM 1355 C CD1 . LEU A 1 175 ? 6.867 -0.822 8.518 1.00 16.66 ? 195 LEU A CD1 1 ATOM 1356 C CD2 . LEU A 1 175 ? 5.640 0.452 10.298 1.00 18.07 ? 195 LEU A CD2 1 ATOM 1357 N N . THR A 1 176 ? 1.828 1.005 6.396 1.00 15.95 ? 196 THR A N 1 ATOM 1358 C CA . THR A 1 176 ? 1.131 1.738 5.333 1.00 16.38 ? 196 THR A CA 1 ATOM 1359 C C . THR A 1 176 ? 0.043 2.590 5.990 1.00 16.74 ? 196 THR A C 1 ATOM 1360 O O . THR A 1 176 ? -0.164 3.719 5.625 1.00 16.38 ? 196 THR A O 1 ATOM 1361 C CB . THR A 1 176 ? 0.506 0.735 4.357 1.00 16.76 ? 196 THR A CB 1 ATOM 1362 O OG1 . THR A 1 176 ? 1.561 0.141 3.609 1.00 15.93 ? 196 THR A OG1 1 ATOM 1363 C CG2 . THR A 1 176 ? -0.552 1.316 3.454 1.00 16.58 ? 196 THR A CG2 1 ATOM 1364 N N . GLU A 1 177 ? -0.608 2.042 7.004 1.00 18.01 ? 197 GLU A N 1 ATOM 1365 C CA . GLU A 1 177 ? -1.620 2.769 7.725 1.00 17.04 ? 197 GLU A CA 1 ATOM 1366 C C . GLU A 1 177 ? -0.986 3.909 8.486 1.00 18.69 ? 197 GLU A C 1 ATOM 1367 O O . GLU A 1 177 ? -1.585 5.011 8.511 1.00 19.03 ? 197 GLU A O 1 ATOM 1368 C CB . GLU A 1 177 ? -2.430 1.871 8.610 1.00 17.58 ? 197 GLU A CB 1 ATOM 1369 C CG . GLU A 1 177 ? -3.635 2.597 9.225 1.00 20.60 ? 197 GLU A CG 1 ATOM 1370 C CD . GLU A 1 177 ? -4.766 1.679 9.724 1.00 22.13 ? 197 GLU A CD 1 ATOM 1371 O OE1 . GLU A 1 177 ? -4.573 0.484 9.894 1.00 24.90 ? 197 GLU A OE1 1 ATOM 1372 O OE2 . GLU A 1 177 ? -5.872 2.177 9.947 1.00 23.82 ? 197 GLU A OE2 1 ATOM 1373 N N . ARG A 1 178 ? 0.223 3.727 9.033 1.00 16.77 ? 198 ARG A N 1 ATOM 1374 C CA . ARG A 1 178 ? 0.884 4.855 9.679 1.00 18.70 ? 198 ARG A CA 1 ATOM 1375 C C . ARG A 1 178 ? 1.105 6.021 8.718 1.00 16.99 ? 198 ARG A C 1 ATOM 1376 O O . ARG A 1 178 ? 1.020 7.175 9.130 1.00 17.63 ? 198 ARG A O 1 ATOM 1377 C CB . ARG A 1 178 ? 2.237 4.486 10.326 1.00 19.73 ? 198 ARG A CB 1 ATOM 1378 C CG . ARG A 1 178 ? 2.120 3.609 11.531 1.00 22.43 ? 198 ARG A CG 1 ATOM 1379 C CD . ARG A 1 178 ? 3.480 3.423 12.135 1.00 20.77 ? 198 ARG A CD 1 ATOM 1380 N NE . ARG A 1 178 ? 3.426 2.380 13.138 1.00 20.04 ? 198 ARG A NE 1 ATOM 1381 C CZ . ARG A 1 178 ? 4.487 1.774 13.650 1.00 19.55 ? 198 ARG A CZ 1 ATOM 1382 N NH1 . ARG A 1 178 ? 5.733 2.070 13.247 1.00 17.65 ? 198 ARG A NH1 1 ATOM 1383 N NH2 . ARG A 1 178 ? 4.299 0.854 14.578 1.00 20.69 ? 198 ARG A NH2 1 ATOM 1384 N N . ILE A 1 179 ? 1.398 5.702 7.469 1.00 16.35 ? 199 ILE A N 1 ATOM 1385 C CA . ILE A 1 179 ? 1.636 6.667 6.407 1.00 16.74 ? 199 ILE A CA 1 ATOM 1386 C C . ILE A 1 179 ? 0.337 7.353 5.986 1.00 17.33 ? 199 ILE A C 1 ATOM 1387 O O . ILE A 1 179 ? 0.302 8.568 5.768 1.00 17.64 ? 199 ILE A O 1 ATOM 1388 C CB . ILE A 1 179 ? 2.223 5.987 5.155 1.00 16.27 ? 199 ILE A CB 1 ATOM 1389 C CG1 . ILE A 1 179 ? 3.630 5.454 5.427 1.00 15.19 ? 199 ILE A CG1 1 ATOM 1390 C CG2 . ILE A 1 179 ? 2.271 6.961 3.990 1.00 16.81 ? 199 ILE A CG2 1 ATOM 1391 C CD1 . ILE A 1 179 ? 4.139 4.595 4.302 1.00 14.83 ? 199 ILE A CD1 1 ATOM 1392 N N . LYS A 1 180 ? -0.722 6.570 5.859 1.00 17.62 ? 200 LYS A N 1 ATOM 1393 C CA . LYS A 1 180 ? -2.000 7.113 5.407 1.00 18.03 ? 200 LYS A CA 1 ATOM 1394 C C . LYS A 1 180 ? -2.677 7.994 6.406 1.00 18.44 ? 200 LYS A C 1 ATOM 1395 O O . LYS A 1 180 ? -3.094 9.078 6.019 1.00 18.91 ? 200 LYS A O 1 ATOM 1396 C CB . LYS A 1 180 ? -2.947 6.000 4.962 1.00 19.73 ? 200 LYS A CB 1 ATOM 1397 C CG . LYS A 1 180 ? -2.566 5.519 3.597 1.00 21.86 ? 200 LYS A CG 1 ATOM 1398 C CD . LYS A 1 180 ? -3.358 4.310 3.208 1.00 24.88 ? 200 LYS A CD 1 ATOM 1399 C CE . LYS A 1 180 ? -3.045 3.995 1.763 1.00 25.90 ? 200 LYS A CE 1 ATOM 1400 N NZ . LYS A 1 180 ? -3.673 2.680 1.531 1.00 30.80 ? 200 LYS A NZ 1 ATOM 1401 N N . THR A 1 181 ? -2.872 7.504 7.640 1.00 17.90 ? 201 THR A N 1 ATOM 1402 C CA . THR A 1 181 ? -3.642 8.248 8.654 1.00 18.84 ? 201 THR A CA 1 ATOM 1403 C C . THR A 1 181 ? -2.977 8.364 10.039 1.00 18.28 ? 201 THR A C 1 ATOM 1404 O O . THR A 1 181 ? -3.433 9.132 10.868 1.00 15.91 ? 201 THR A O 1 ATOM 1405 C CB . THR A 1 181 ? -4.980 7.530 8.882 1.00 17.79 ? 201 THR A CB 1 ATOM 1406 O OG1 . THR A 1 181 ? -4.680 6.181 9.225 1.00 16.86 ? 201 THR A OG1 1 ATOM 1407 C CG2 . THR A 1 181 ? -5.848 7.565 7.607 1.00 17.36 ? 201 THR A CG2 1 ATOM 1408 N N . GLY A 1 182 ? -1.902 7.607 10.275 1.00 17.39 ? 202 GLY A N 1 ATOM 1409 C CA . GLY A 1 182 ? -1.275 7.526 11.598 1.00 17.62 ? 202 GLY A CA 1 ATOM 1410 C C . GLY A 1 182 ? -0.073 8.465 11.758 1.00 17.43 ? 202 GLY A C 1 ATOM 1411 O O . GLY A 1 182 ? -0.034 9.547 11.146 1.00 16.43 ? 202 GLY A O 1 ATOM 1412 N N . THR A 1 183 ? 0.910 8.046 12.558 1.00 18.11 ? 203 THR A N 1 ATOM 1413 C CA . THR A 1 183 ? 1.982 8.946 12.988 1.00 19.49 ? 203 THR A CA 1 ATOM 1414 C C . THR A 1 183 ? 2.829 9.532 11.875 1.00 18.60 ? 203 THR A C 1 ATOM 1415 O O . THR A 1 183 ? 3.449 10.532 12.101 1.00 19.11 ? 203 THR A O 1 ATOM 1416 C CB . THR A 1 183 ? 2.886 8.303 14.049 1.00 24.47 ? 203 THR A CB 1 ATOM 1417 O OG1 . THR A 1 183 ? 3.278 7.029 13.583 1.00 26.18 ? 203 THR A OG1 1 ATOM 1418 C CG2 . THR A 1 183 ? 2.087 8.043 15.363 1.00 27.65 ? 203 THR A CG2 1 ATOM 1419 N N . TYR A 1 184 ? 2.878 8.925 10.686 1.00 17.90 ? 204 TYR A N 1 ATOM 1420 C CA . TYR A 1 184 ? 3.693 9.489 9.609 1.00 16.59 ? 204 TYR A CA 1 ATOM 1421 C C . TYR A 1 184 ? 2.865 10.364 8.694 1.00 16.99 ? 204 TYR A C 1 ATOM 1422 O O . TYR A 1 184 ? 3.375 10.874 7.722 1.00 15.94 ? 204 TYR A O 1 ATOM 1423 C CB . TYR A 1 184 ? 4.380 8.365 8.773 1.00 16.95 ? 204 TYR A CB 1 ATOM 1424 C CG . TYR A 1 184 ? 5.104 7.308 9.569 1.00 16.56 ? 204 TYR A CG 1 ATOM 1425 C CD1 . TYR A 1 184 ? 5.736 7.604 10.808 1.00 17.09 ? 204 TYR A CD1 1 ATOM 1426 C CD2 . TYR A 1 184 ? 5.175 5.988 9.103 1.00 16.65 ? 204 TYR A CD2 1 ATOM 1427 C CE1 . TYR A 1 184 ? 6.405 6.611 11.536 1.00 16.99 ? 204 TYR A CE1 1 ATOM 1428 C CE2 . TYR A 1 184 ? 5.811 5.011 9.823 1.00 16.32 ? 204 TYR A CE2 1 ATOM 1429 C CZ . TYR A 1 184 ? 6.456 5.340 11.030 1.00 15.77 ? 204 TYR A CZ 1 ATOM 1430 O OH . TYR A 1 184 ? 7.046 4.366 11.748 1.00 16.10 ? 204 TYR A OH 1 ATOM 1431 N N . SER A 1 185 ? 1.564 10.520 8.952 1.00 16.82 ? 205 SER A N 1 ATOM 1432 C CA . SER A 1 185 ? 0.691 10.982 7.847 1.00 18.21 ? 205 SER A CA 1 ATOM 1433 C C . SER A 1 185 ? 0.857 12.468 7.499 1.00 17.64 ? 205 SER A C 1 ATOM 1434 O O . SER A 1 185 ? 0.532 12.844 6.392 1.00 20.19 ? 205 SER A O 1 ATOM 1435 C CB . SER A 1 185 ? -0.771 10.653 8.125 1.00 17.26 ? 205 SER A CB 1 ATOM 1436 O OG . SER A 1 185 ? -1.203 11.399 9.228 1.00 16.66 ? 205 SER A OG 1 ATOM 1437 N N . SER A 1 186 ? 1.398 13.273 8.420 1.00 19.54 ? 206 SER A N 1 ATOM 1438 C CA . SER A 1 186 ? 1.822 14.626 8.118 1.00 20.95 ? 206 SER A CA 1 ATOM 1439 C C . SER A 1 186 ? 3.221 14.680 7.509 1.00 23.27 ? 206 SER A C 1 ATOM 1440 O O . SER A 1 186 ? 3.409 15.218 6.375 1.00 24.33 ? 206 SER A O 1 ATOM 1441 C CB . SER A 1 186 ? 1.705 15.511 9.358 1.00 25.17 ? 206 SER A CB 1 ATOM 1442 O OG . SER A 1 186 ? 0.317 15.599 9.667 1.00 28.52 ? 206 SER A OG 1 ATOM 1443 N N . LYS A 1 187 ? 4.180 14.067 8.185 1.00 24.15 ? 207 LYS A N 1 ATOM 1444 C CA . LYS A 1 187 ? 5.579 14.094 7.696 1.00 25.43 ? 207 LYS A CA 1 ATOM 1445 C C . LYS A 1 187 ? 5.699 13.522 6.300 1.00 23.42 ? 207 LYS A C 1 ATOM 1446 O O . LYS A 1 187 ? 6.510 13.987 5.534 1.00 23.20 ? 207 LYS A O 1 ATOM 1447 C CB A LYS A 1 187 ? 6.458 13.254 8.605 0.50 27.18 ? 207 LYS A CB 1 ATOM 1448 C CB B LYS A 1 187 ? 6.628 13.421 8.589 0.50 28.33 ? 207 LYS A CB 1 ATOM 1449 C CG A LYS A 1 187 ? 6.667 13.774 10.023 0.50 29.64 ? 207 LYS A CG 1 ATOM 1450 C CG B LYS A 1 187 ? 6.240 12.917 9.961 0.50 31.45 ? 207 LYS A CG 1 ATOM 1451 C CD A LYS A 1 187 ? 7.341 12.654 10.831 0.50 31.40 ? 207 LYS A CD 1 ATOM 1452 C CD B LYS A 1 187 ? 7.448 12.957 10.870 0.50 33.04 ? 207 LYS A CD 1 ATOM 1453 C CE A LYS A 1 187 ? 7.978 13.139 12.138 0.50 33.54 ? 207 LYS A CE 1 ATOM 1454 C CE B LYS A 1 187 ? 7.302 11.989 12.017 0.50 33.41 ? 207 LYS A CE 1 ATOM 1455 N NZ A LYS A 1 187 ? 7.279 12.580 13.330 0.50 32.90 ? 207 LYS A NZ 1 ATOM 1456 N NZ B LYS A 1 187 ? 7.202 10.659 11.408 0.50 32.52 ? 207 LYS A NZ 1 ATOM 1457 N N . LYS A 1 188 ? 4.881 12.528 5.975 1.00 21.91 ? 208 LYS A N 1 ATOM 1458 C CA . LYS A 1 188 ? 5.003 11.818 4.720 1.00 22.09 ? 208 LYS A CA 1 ATOM 1459 C C . LYS A 1 188 ? 4.811 12.683 3.461 1.00 23.21 ? 208 LYS A C 1 ATOM 1460 O O . LYS A 1 188 ? 5.351 12.377 2.385 1.00 23.98 ? 208 LYS A O 1 ATOM 1461 C CB . LYS A 1 188 ? 4.071 10.599 4.726 1.00 23.45 ? 208 LYS A CB 1 ATOM 1462 C CG . LYS A 1 188 ? 2.590 10.895 4.570 1.00 21.28 ? 208 LYS A CG 1 ATOM 1463 C CD . LYS A 1 188 ? 2.165 10.751 3.131 1.00 21.14 ? 208 LYS A CD 1 ATOM 1464 C CE . LYS A 1 188 ? 0.638 10.612 3.011 1.00 22.28 ? 208 LYS A CE 1 ATOM 1465 N NZ . LYS A 1 188 ? -0.059 11.741 3.663 1.00 23.39 ? 208 LYS A NZ 1 ATOM 1466 N N . ASP A 1 189 ? 4.105 13.794 3.623 1.00 23.56 ? 209 ASP A N 1 ATOM 1467 C CA . ASP A 1 189 ? 3.911 14.759 2.552 1.00 25.66 ? 209 ASP A CA 1 ATOM 1468 C C . ASP A 1 189 ? 5.234 15.335 2.035 1.00 26.09 ? 209 ASP A C 1 ATOM 1469 O O . ASP A 1 189 ? 5.310 15.718 0.892 1.00 28.36 ? 209 ASP A O 1 ATOM 1470 C CB . ASP A 1 189 ? 2.970 15.887 3.021 1.00 26.75 ? 209 ASP A CB 1 ATOM 1471 C CG . ASP A 1 189 ? 1.545 15.399 3.218 1.00 28.77 ? 209 ASP A CG 1 ATOM 1472 O OD1 . ASP A 1 189 ? 1.177 14.388 2.573 1.00 28.86 ? 209 ASP A OD1 1 ATOM 1473 O OD2 . ASP A 1 189 ? 0.800 16.013 4.027 1.00 32.15 ? 209 ASP A OD2 1 ATOM 1474 N N . SER A 1 190 ? 6.272 15.342 2.863 1.00 23.10 ? 210 SER A N 1 ATOM 1475 C CA . SER A 1 190 ? 7.548 15.847 2.435 1.00 23.87 ? 210 SER A CA 1 ATOM 1476 C C . SER A 1 190 ? 8.580 14.774 2.149 1.00 21.69 ? 210 SER A C 1 ATOM 1477 O O . SER A 1 190 ? 9.720 15.088 1.785 1.00 20.48 ? 210 SER A O 1 ATOM 1478 C CB . SER A 1 190 ? 8.047 16.814 3.485 1.00 25.25 ? 210 SER A CB 1 ATOM 1479 O OG . SER A 1 190 ? 8.319 16.084 4.630 1.00 31.48 ? 210 SER A OG 1 ATOM 1480 N N . TRP A 1 191 ? 8.186 13.497 2.250 1.00 22.02 ? 211 TRP A N 1 ATOM 1481 C CA . TRP A 1 191 ? 9.134 12.387 1.949 1.00 20.45 ? 211 TRP A CA 1 ATOM 1482 C C . TRP A 1 191 ? 9.538 12.270 0.472 1.00 20.26 ? 211 TRP A C 1 ATOM 1483 O O . TRP A 1 191 ? 10.539 11.650 0.174 1.00 19.76 ? 211 TRP A O 1 ATOM 1484 C CB . TRP A 1 191 ? 8.582 11.056 2.406 1.00 18.51 ? 211 TRP A CB 1 ATOM 1485 C CG . TRP A 1 191 ? 8.491 10.873 3.891 1.00 18.16 ? 211 TRP A CG 1 ATOM 1486 C CD1 . TRP A 1 191 ? 8.908 11.702 4.877 1.00 19.22 ? 211 TRP A CD1 1 ATOM 1487 C CD2 . TRP A 1 191 ? 7.934 9.735 4.537 1.00 18.78 ? 211 TRP A CD2 1 ATOM 1488 N NE1 . TRP A 1 191 ? 8.661 11.147 6.117 1.00 19.88 ? 211 TRP A NE1 1 ATOM 1489 C CE2 . TRP A 1 191 ? 8.038 9.943 5.934 1.00 17.98 ? 211 TRP A CE2 1 ATOM 1490 C CE3 . TRP A 1 191 ? 7.374 8.544 4.069 1.00 17.98 ? 211 TRP A CE3 1 ATOM 1491 C CZ2 . TRP A 1 191 ? 7.630 8.995 6.862 1.00 18.03 ? 211 TRP A CZ2 1 ATOM 1492 C CZ3 . TRP A 1 191 ? 6.919 7.604 5.034 1.00 17.60 ? 211 TRP A CZ3 1 ATOM 1493 C CH2 . TRP A 1 191 ? 7.062 7.837 6.383 1.00 17.71 ? 211 TRP A CH2 1 ATOM 1494 N N . THR A 1 192 ? 8.770 12.846 -0.436 1.00 19.59 ? 212 THR A N 1 ATOM 1495 C CA . THR A 1 192 ? 9.163 12.868 -1.834 1.00 20.87 ? 212 THR A CA 1 ATOM 1496 C C . THR A 1 192 ? 9.765 14.198 -2.277 1.00 20.67 ? 212 THR A C 1 ATOM 1497 O O . THR A 1 192 ? 10.014 14.374 -3.460 1.00 18.58 ? 212 THR A O 1 ATOM 1498 C CB . THR A 1 192 ? 8.008 12.509 -2.747 1.00 21.77 ? 212 THR A CB 1 ATOM 1499 O OG1 . THR A 1 192 ? 6.952 13.432 -2.571 1.00 23.25 ? 212 THR A OG1 1 ATOM 1500 C CG2 . THR A 1 192 ? 7.502 11.126 -2.406 1.00 25.90 ? 212 THR A CG2 1 ATOM 1501 N N . ASP A 1 193 ? 9.986 15.126 -1.343 1.00 23.08 ? 213 ASP A N 1 ATOM 1502 C CA . ASP A 1 193 ? 10.665 16.417 -1.727 1.00 27.73 ? 213 ASP A CA 1 ATOM 1503 C C . ASP A 1 193 ? 12.023 16.127 -2.305 1.00 26.75 ? 213 ASP A C 1 ATOM 1504 O O . ASP A 1 193 ? 12.770 15.284 -1.754 1.00 26.33 ? 213 ASP A O 1 ATOM 1505 C CB . ASP A 1 193 ? 10.884 17.361 -0.559 1.00 31.01 ? 213 ASP A CB 1 ATOM 1506 C CG . ASP A 1 193 ? 9.608 17.925 0.014 1.00 34.30 ? 213 ASP A CG 1 ATOM 1507 O OD1 . ASP A 1 193 ? 8.488 17.598 -0.444 1.00 31.68 ? 213 ASP A OD1 1 ATOM 1508 O OD2 . ASP A 1 193 ? 9.758 18.711 0.993 1.00 44.96 ? 213 ASP A OD2 1 ATOM 1509 N N . GLY A 1 194 ? 12.290 16.768 -3.451 1.00 25.62 ? 214 GLY A N 1 ATOM 1510 C CA . GLY A 1 194 ? 13.561 16.663 -4.138 1.00 24.99 ? 214 GLY A CA 1 ATOM 1511 C C . GLY A 1 194 ? 13.623 15.526 -5.107 1.00 25.42 ? 214 GLY A C 1 ATOM 1512 O O . GLY A 1 194 ? 14.641 15.359 -5.749 1.00 28.60 ? 214 GLY A O 1 ATOM 1513 N N . ILE A 1 195 ? 12.545 14.740 -5.238 1.00 24.16 ? 215 ILE A N 1 ATOM 1514 C CA . ILE A 1 195 ? 12.536 13.595 -6.129 1.00 23.51 ? 215 ILE A CA 1 ATOM 1515 C C . ILE A 1 195 ? 12.572 14.101 -7.558 1.00 23.56 ? 215 ILE A C 1 ATOM 1516 O O . ILE A 1 195 ? 11.874 15.041 -7.891 1.00 22.99 ? 215 ILE A O 1 ATOM 1517 C CB . ILE A 1 195 ? 11.287 12.720 -5.924 1.00 25.86 ? 215 ILE A CB 1 ATOM 1518 C CG1 . ILE A 1 195 ? 11.342 11.460 -6.773 1.00 29.71 ? 215 ILE A CG1 1 ATOM 1519 C CG2 . ILE A 1 195 ? 9.977 13.441 -6.309 1.00 28.26 ? 215 ILE A CG2 1 ATOM 1520 C CD1 . ILE A 1 195 ? 10.537 10.334 -6.116 1.00 35.35 ? 215 ILE A CD1 1 ATOM 1521 N N . ASP A 1 196 ? 13.345 13.438 -8.411 1.00 22.44 ? 216 ASP A N 1 ATOM 1522 C CA . ASP A 1 196 ? 13.567 13.902 -9.749 1.00 21.38 ? 216 ASP A CA 1 ATOM 1523 C C . ASP A 1 196 ? 14.042 12.740 -10.580 1.00 21.39 ? 216 ASP A C 1 ATOM 1524 O O . ASP A 1 196 ? 15.185 12.265 -10.472 1.00 19.54 ? 216 ASP A O 1 ATOM 1525 C CB . ASP A 1 196 ? 14.594 15.046 -9.748 1.00 24.98 ? 216 ASP A CB 1 ATOM 1526 C CG . ASP A 1 196 ? 14.779 15.714 -11.125 1.00 28.56 ? 216 ASP A CG 1 ATOM 1527 O OD1 . ASP A 1 196 ? 14.332 15.182 -12.182 1.00 26.02 ? 216 ASP A OD1 1 ATOM 1528 O OD2 . ASP A 1 196 ? 15.446 16.793 -11.099 1.00 30.50 ? 216 ASP A OD2 1 ATOM 1529 N N . ILE A 1 197 ? 13.152 12.315 -11.463 1.00 20.26 ? 217 ILE A N 1 ATOM 1530 C CA . ILE A 1 197 ? 13.359 11.169 -12.286 1.00 21.58 ? 217 ILE A CA 1 ATOM 1531 C C . ILE A 1 197 ? 14.492 11.395 -13.281 1.00 22.43 ? 217 ILE A C 1 ATOM 1532 O O . ILE A 1 197 ? 15.112 10.416 -13.707 1.00 22.05 ? 217 ILE A O 1 ATOM 1533 C CB . ILE A 1 197 ? 12.049 10.764 -12.988 1.00 22.83 ? 217 ILE A CB 1 ATOM 1534 C CG1 . ILE A 1 197 ? 12.184 9.386 -13.607 1.00 23.36 ? 217 ILE A CG1 1 ATOM 1535 C CG2 . ILE A 1 197 ? 11.593 11.811 -14.040 1.00 23.62 ? 217 ILE A CG2 1 ATOM 1536 C CD1 . ILE A 1 197 ? 12.406 8.282 -12.612 1.00 22.64 ? 217 ILE A CD1 1 ATOM 1537 N N . LYS A 1 198 ? 14.781 12.663 -13.596 1.00 23.06 ? 218 LYS A N 1 ATOM 1538 C CA . LYS A 1 198 ? 15.898 13.028 -14.461 1.00 25.93 ? 218 LYS A CA 1 ATOM 1539 C C . LYS A 1 198 ? 17.205 13.207 -13.682 1.00 24.99 ? 218 LYS A C 1 ATOM 1540 O O . LYS A 1 198 ? 18.226 13.408 -14.294 1.00 25.21 ? 218 LYS A O 1 ATOM 1541 C CB . LYS A 1 198 ? 15.587 14.327 -15.269 1.00 28.13 ? 218 LYS A CB 1 ATOM 1542 C CG . LYS A 1 198 ? 14.308 14.288 -16.127 1.00 29.97 ? 218 LYS A CG 1 ATOM 1543 C CD . LYS A 1 198 ? 14.538 13.336 -17.287 1.00 33.85 ? 218 LYS A CD 1 ATOM 1544 C CE . LYS A 1 198 ? 13.352 13.268 -18.247 1.00 41.03 ? 218 LYS A CE 1 ATOM 1545 N NZ . LYS A 1 198 ? 13.521 12.101 -19.154 1.00 40.82 ? 218 LYS A NZ 1 ATOM 1546 N N . ASP A 1 199 ? 17.176 13.158 -12.353 1.00 22.31 ? 219 ASP A N 1 ATOM 1547 C CA . ASP A 1 199 ? 18.395 13.176 -11.548 1.00 21.28 ? 219 ASP A CA 1 ATOM 1548 C C . ASP A 1 199 ? 18.426 12.028 -10.487 1.00 21.57 ? 219 ASP A C 1 ATOM 1549 O O . ASP A 1 199 ? 18.263 12.278 -9.250 1.00 17.51 ? 219 ASP A O 1 ATOM 1550 C CB . ASP A 1 199 ? 18.512 14.513 -10.881 1.00 22.77 ? 219 ASP A CB 1 ATOM 1551 C CG . ASP A 1 199 ? 19.920 14.813 -10.428 1.00 24.73 ? 219 ASP A CG 1 ATOM 1552 O OD1 . ASP A 1 199 ? 20.796 13.891 -10.372 1.00 20.87 ? 219 ASP A OD1 1 ATOM 1553 O OD2 . ASP A 1 199 ? 20.102 16.001 -10.088 1.00 26.70 ? 219 ASP A OD2 1 ATOM 1554 N N . PRO A 1 200 ? 18.619 10.780 -10.962 1.00 19.14 ? 220 PRO A N 1 ATOM 1555 C CA . PRO A 1 200 ? 18.609 9.650 -10.024 1.00 21.10 ? 220 PRO A CA 1 ATOM 1556 C C . PRO A 1 200 ? 19.710 9.690 -8.933 1.00 21.12 ? 220 PRO A C 1 ATOM 1557 O O . PRO A 1 200 ? 19.451 9.228 -7.810 1.00 22.45 ? 220 PRO A O 1 ATOM 1558 C CB . PRO A 1 200 ? 18.765 8.413 -10.904 1.00 21.40 ? 220 PRO A CB 1 ATOM 1559 C CG . PRO A 1 200 ? 18.608 8.867 -12.303 1.00 23.16 ? 220 PRO A CG 1 ATOM 1560 C CD . PRO A 1 200 ? 18.669 10.363 -12.362 1.00 21.16 ? 220 PRO A CD 1 ATOM 1561 N N . VAL A 1 201 ? 20.898 10.208 -9.282 1.00 19.43 ? 221 VAL A N 1 ATOM 1562 C CA . VAL A 1 201 ? 21.960 10.391 -8.351 1.00 19.14 ? 221 VAL A CA 1 ATOM 1563 C C . VAL A 1 201 ? 21.530 11.308 -7.233 1.00 19.14 ? 221 VAL A C 1 ATOM 1564 O O . VAL A 1 201 ? 21.626 10.934 -6.091 1.00 18.93 ? 221 VAL A O 1 ATOM 1565 C CB . VAL A 1 201 ? 23.247 10.908 -9.015 1.00 20.37 ? 221 VAL A CB 1 ATOM 1566 C CG1 . VAL A 1 201 ? 24.286 11.268 -7.950 1.00 20.72 ? 221 VAL A CG1 1 ATOM 1567 C CG2 . VAL A 1 201 ? 23.806 9.850 -9.980 1.00 19.39 ? 221 VAL A CG2 1 ATOM 1568 N N . SER A 1 202 ? 21.069 12.512 -7.542 1.00 18.20 ? 222 SER A N 1 ATOM 1569 C CA . SER A 1 202 ? 20.638 13.431 -6.534 1.00 18.25 ? 222 SER A CA 1 ATOM 1570 C C . SER A 1 202 ? 19.488 12.893 -5.701 1.00 17.57 ? 222 SER A C 1 ATOM 1571 O O . SER A 1 202 ? 19.538 12.996 -4.482 1.00 17.40 ? 222 SER A O 1 ATOM 1572 C CB A SER A 1 202 ? 20.172 14.752 -7.172 0.50 19.17 ? 222 SER A CB 1 ATOM 1573 C CB B SER A 1 202 ? 20.278 14.792 -7.136 0.50 18.39 ? 222 SER A CB 1 ATOM 1574 O OG A SER A 1 202 ? 19.706 15.667 -6.185 0.50 19.03 ? 222 SER A OG 1 ATOM 1575 O OG B SER A 1 202 ? 21.444 15.426 -7.631 0.50 16.83 ? 222 SER A OG 1 ATOM 1576 N N . THR A 1 203 ? 18.487 12.322 -6.347 1.00 17.10 ? 223 THR A N 1 ATOM 1577 C CA . THR A 1 203 ? 17.305 11.787 -5.646 1.00 16.55 ? 223 THR A CA 1 ATOM 1578 C C . THR A 1 203 ? 17.790 10.722 -4.640 1.00 16.27 ? 223 THR A C 1 ATOM 1579 O O . THR A 1 203 ? 17.422 10.771 -3.478 1.00 16.90 ? 223 THR A O 1 ATOM 1580 C CB . THR A 1 203 ? 16.337 11.143 -6.636 1.00 17.77 ? 223 THR A CB 1 ATOM 1581 O OG1 . THR A 1 203 ? 15.884 12.117 -7.621 1.00 17.26 ? 223 THR A OG1 1 ATOM 1582 C CG2 . THR A 1 203 ? 15.152 10.467 -5.885 1.00 17.86 ? 223 THR A CG2 1 ATOM 1583 N N . SER A 1 204 ? 18.602 9.763 -5.098 1.00 16.07 ? 224 SER A N 1 ATOM 1584 C CA . SER A 1 204 ? 19.003 8.643 -4.256 1.00 16.70 ? 224 SER A CA 1 ATOM 1585 C C . SER A 1 204 ? 19.966 9.084 -3.150 1.00 17.90 ? 224 SER A C 1 ATOM 1586 O O . SER A 1 204 ? 19.860 8.596 -2.017 1.00 17.39 ? 224 SER A O 1 ATOM 1587 C CB . SER A 1 204 ? 19.469 7.430 -5.043 1.00 16.27 ? 224 SER A CB 1 ATOM 1588 O OG . SER A 1 204 ? 20.606 7.655 -5.774 1.00 19.17 ? 224 SER A OG 1 ATOM 1589 N N . MET A 1 205 ? 20.811 10.089 -3.447 1.00 16.08 ? 225 MET A N 1 ATOM 1590 C CA . MET A 1 205 ? 21.625 10.703 -2.417 1.00 18.29 ? 225 MET A CA 1 ATOM 1591 C C . MET A 1 205 ? 20.855 11.367 -1.276 1.00 18.82 ? 225 MET A C 1 ATOM 1592 O O . MET A 1 205 ? 21.293 11.339 -0.114 1.00 17.76 ? 225 MET A O 1 ATOM 1593 C CB . MET A 1 205 ? 22.593 11.727 -3.047 1.00 18.23 ? 225 MET A CB 1 ATOM 1594 C CG . MET A 1 205 ? 23.804 11.084 -3.696 1.00 18.05 ? 225 MET A CG 1 ATOM 1595 S SD . MET A 1 205 ? 24.896 10.217 -2.560 1.00 19.49 ? 225 MET A SD 1 ATOM 1596 C CE . MET A 1 205 ? 25.232 11.476 -1.278 1.00 21.02 ? 225 MET A CE 1 ATOM 1597 N N . ILE A 1 206 ? 19.725 12.008 -1.602 1.00 18.92 ? 226 ILE A N 1 ATOM 1598 C CA . ILE A 1 206 ? 18.851 12.601 -0.586 1.00 18.73 ? 226 ILE A CA 1 ATOM 1599 C C . ILE A 1 206 ? 18.389 11.517 0.365 1.00 16.78 ? 226 ILE A C 1 ATOM 1600 O O . ILE A 1 206 ? 18.443 11.668 1.601 1.00 17.04 ? 226 ILE A O 1 ATOM 1601 C CB . ILE A 1 206 ? 17.619 13.300 -1.246 1.00 20.80 ? 226 ILE A CB 1 ATOM 1602 C CG1 . ILE A 1 206 ? 18.073 14.579 -2.002 1.00 22.34 ? 226 ILE A CG1 1 ATOM 1603 C CG2 . ILE A 1 206 ? 16.570 13.649 -0.177 1.00 20.57 ? 226 ILE A CG2 1 ATOM 1604 C CD1 . ILE A 1 206 ? 17.023 15.246 -2.906 1.00 23.29 ? 226 ILE A CD1 1 ATOM 1605 N N . TRP A 1 207 ? 17.949 10.413 -0.198 1.00 15.84 ? 227 TRP A N 1 ATOM 1606 C CA . TRP A 1 207 ? 17.476 9.297 0.628 1.00 16.30 ? 227 TRP A CA 1 ATOM 1607 C C . TRP A 1 207 ? 18.599 8.682 1.456 1.00 15.09 ? 227 TRP A C 1 ATOM 1608 O O . TRP A 1 207 ? 18.442 8.445 2.642 1.00 14.69 ? 227 TRP A O 1 ATOM 1609 C CB . TRP A 1 207 ? 16.811 8.216 -0.252 1.00 17.85 ? 227 TRP A CB 1 ATOM 1610 C CG . TRP A 1 207 ? 15.645 8.717 -1.076 1.00 19.05 ? 227 TRP A CG 1 ATOM 1611 C CD1 . TRP A 1 207 ? 14.868 9.867 -0.876 1.00 20.45 ? 227 TRP A CD1 1 ATOM 1612 C CD2 . TRP A 1 207 ? 15.160 8.118 -2.258 1.00 19.48 ? 227 TRP A CD2 1 ATOM 1613 N NE1 . TRP A 1 207 ? 13.933 9.976 -1.886 1.00 20.72 ? 227 TRP A NE1 1 ATOM 1614 C CE2 . TRP A 1 207 ? 14.100 8.917 -2.744 1.00 21.21 ? 227 TRP A CE2 1 ATOM 1615 C CE3 . TRP A 1 207 ? 15.548 7.001 -2.982 1.00 21.26 ? 227 TRP A CE3 1 ATOM 1616 C CZ2 . TRP A 1 207 ? 13.393 8.595 -3.930 1.00 21.63 ? 227 TRP A CZ2 1 ATOM 1617 C CZ3 . TRP A 1 207 ? 14.839 6.677 -4.143 1.00 23.66 ? 227 TRP A CZ3 1 ATOM 1618 C CH2 . TRP A 1 207 ? 13.788 7.483 -4.606 1.00 21.85 ? 227 TRP A CH2 1 ATOM 1619 N N . ALA A 1 208 ? 19.763 8.494 0.839 1.00 14.87 ? 228 ALA A N 1 ATOM 1620 C CA . ALA A 1 208 ? 20.941 7.963 1.532 1.00 13.91 ? 228 ALA A CA 1 ATOM 1621 C C . ALA A 1 208 ? 21.391 8.922 2.669 1.00 15.04 ? 228 ALA A C 1 ATOM 1622 O O . ALA A 1 208 ? 21.630 8.481 3.783 1.00 15.38 ? 228 ALA A O 1 ATOM 1623 C CB . ALA A 1 208 ? 22.059 7.742 0.542 1.00 14.38 ? 228 ALA A CB 1 ATOM 1624 N N . ALA A 1 209 ? 21.448 10.223 2.384 1.00 15.35 ? 229 ALA A N 1 ATOM 1625 C CA . ALA A 1 209 ? 21.815 11.258 3.368 1.00 15.78 ? 229 ALA A CA 1 ATOM 1626 C C . ALA A 1 209 ? 20.863 11.233 4.511 1.00 16.48 ? 229 ALA A C 1 ATOM 1627 O O . ALA A 1 209 ? 21.281 11.220 5.662 1.00 18.95 ? 229 ALA A O 1 ATOM 1628 C CB . ALA A 1 209 ? 21.842 12.621 2.709 1.00 15.94 ? 229 ALA A CB 1 ATOM 1629 N N . ASP A 1 210 ? 19.569 11.158 4.200 1.00 16.75 ? 230 ASP A N 1 ATOM 1630 C CA . ASP A 1 210 ? 18.561 11.075 5.224 1.00 16.78 ? 230 ASP A CA 1 ATOM 1631 C C . ASP A 1 210 ? 18.762 9.867 6.137 1.00 16.10 ? 230 ASP A C 1 ATOM 1632 O O . ASP A 1 210 ? 18.844 10.020 7.374 1.00 17.20 ? 230 ASP A O 1 ATOM 1633 C CB . ASP A 1 210 ? 17.196 11.056 4.533 1.00 17.46 ? 230 ASP A CB 1 ATOM 1634 C CG . ASP A 1 210 ? 16.027 10.994 5.491 1.00 18.47 ? 230 ASP A CG 1 ATOM 1635 O OD1 . ASP A 1 210 ? 16.151 11.346 6.685 1.00 19.79 ? 230 ASP A OD1 1 ATOM 1636 O OD2 . ASP A 1 210 ? 14.941 10.557 4.990 1.00 22.39 ? 230 ASP A OD2 1 ATOM 1637 N N . ALA A 1 211 ? 18.861 8.673 5.536 1.00 15.90 ? 231 ALA A N 1 ATOM 1638 C CA . ALA A 1 211 ? 19.103 7.458 6.311 1.00 15.49 ? 231 ALA A CA 1 ATOM 1639 C C . ALA A 1 211 ? 20.422 7.524 7.127 1.00 15.46 ? 231 ALA A C 1 ATOM 1640 O O . ALA A 1 211 ? 20.479 7.063 8.292 1.00 15.51 ? 231 ALA A O 1 ATOM 1641 C CB . ALA A 1 211 ? 19.068 6.235 5.421 1.00 15.25 ? 231 ALA A CB 1 ATOM 1642 N N . ASN A 1 212 ? 21.467 8.090 6.517 1.00 15.00 ? 232 ASN A N 1 ATOM 1643 C CA . ASN A 1 212 ? 22.751 8.218 7.184 1.00 16.31 ? 232 ASN A CA 1 ATOM 1644 C C . ASN A 1 212 ? 22.655 9.122 8.462 1.00 16.20 ? 232 ASN A C 1 ATOM 1645 O O . ASN A 1 212 ? 23.323 8.843 9.487 1.00 17.11 ? 232 ASN A O 1 ATOM 1646 C CB . ASN A 1 212 ? 23.802 8.691 6.195 1.00 16.42 ? 232 ASN A CB 1 ATOM 1647 C CG . ASN A 1 212 ? 25.111 9.155 6.869 1.00 16.99 ? 232 ASN A CG 1 ATOM 1648 O OD1 . ASN A 1 212 ? 25.292 10.339 7.149 1.00 15.81 ? 232 ASN A OD1 1 ATOM 1649 N ND2 . ASN A 1 212 ? 26.005 8.230 7.123 1.00 16.07 ? 232 ASN A ND2 1 ATOM 1650 N N . THR A 1 213 ? 21.803 10.152 8.462 1.00 15.99 ? 233 THR A N 1 ATOM 1651 C CA . THR A 1 213 ? 21.699 10.956 9.723 1.00 15.94 ? 233 THR A CA 1 ATOM 1652 C C . THR A 1 213 ? 21.377 10.080 10.945 1.00 16.84 ? 233 THR A C 1 ATOM 1653 O O . THR A 1 213 ? 21.808 10.366 12.094 1.00 17.54 ? 233 THR A O 1 ATOM 1654 C CB . THR A 1 213 ? 20.688 12.099 9.665 1.00 16.29 ? 233 THR A CB 1 ATOM 1655 O OG1 . THR A 1 213 ? 19.363 11.574 9.538 1.00 16.62 ? 233 THR A OG1 1 ATOM 1656 C CG2 . THR A 1 213 ? 21.049 13.071 8.491 1.00 16.81 ? 233 THR A CG2 1 ATOM 1657 N N . TYR A 1 214 ? 20.658 8.980 10.710 1.00 15.41 ? 234 TYR A N 1 ATOM 1658 C CA . TYR A 1 214 ? 20.309 8.080 11.805 1.00 17.39 ? 234 TYR A CA 1 ATOM 1659 C C . TYR A 1 214 ? 21.435 7.189 12.356 1.00 15.54 ? 234 TYR A C 1 ATOM 1660 O O . TYR A 1 214 ? 21.333 6.635 13.448 1.00 16.30 ? 234 TYR A O 1 ATOM 1661 C CB . TYR A 1 214 ? 19.152 7.203 11.363 1.00 18.27 ? 234 TYR A CB 1 ATOM 1662 C CG . TYR A 1 214 ? 17.855 7.988 11.135 1.00 17.63 ? 234 TYR A CG 1 ATOM 1663 C CD1 . TYR A 1 214 ? 16.983 8.243 12.190 1.00 19.55 ? 234 TYR A CD1 1 ATOM 1664 C CD2 . TYR A 1 214 ? 17.514 8.428 9.876 1.00 18.31 ? 234 TYR A CD2 1 ATOM 1665 C CE1 . TYR A 1 214 ? 15.777 8.929 11.978 1.00 20.22 ? 234 TYR A CE1 1 ATOM 1666 C CE2 . TYR A 1 214 ? 16.348 9.116 9.643 1.00 19.95 ? 234 TYR A CE2 1 ATOM 1667 C CZ . TYR A 1 214 ? 15.476 9.352 10.698 1.00 21.66 ? 234 TYR A CZ 1 ATOM 1668 O OH . TYR A 1 214 ? 14.309 10.023 10.425 1.00 22.34 ? 234 TYR A OH 1 ATOM 1669 N N . VAL A 1 215 ? 22.531 7.090 11.616 1.00 16.99 ? 235 VAL A N 1 ATOM 1670 C CA . VAL A 1 215 ? 23.766 6.521 12.167 1.00 16.30 ? 235 VAL A CA 1 ATOM 1671 C C . VAL A 1 215 ? 24.191 7.322 13.403 1.00 17.34 ? 235 VAL A C 1 ATOM 1672 O O . VAL A 1 215 ? 24.448 6.738 14.468 1.00 17.61 ? 235 VAL A O 1 ATOM 1673 C CB . VAL A 1 215 ? 24.878 6.442 11.144 1.00 16.47 ? 235 VAL A CB 1 ATOM 1674 C CG1 . VAL A 1 215 ? 26.152 5.798 11.718 1.00 16.25 ? 235 VAL A CG1 1 ATOM 1675 C CG2 . VAL A 1 215 ? 24.428 5.664 9.919 1.00 15.80 ? 235 VAL A CG2 1 ATOM 1676 N N . CYS A 1 216 ? 24.249 8.650 13.264 1.00 17.29 ? 236 CYS A N 1 ATOM 1677 C CA . CYS A 1 216 ? 24.610 9.526 14.371 1.00 19.26 ? 236 CYS A CA 1 ATOM 1678 C C . CYS A 1 216 ? 23.547 9.645 15.426 1.00 19.15 ? 236 CYS A C 1 ATOM 1679 O O . CYS A 1 216 ? 23.862 9.622 16.615 1.00 19.41 ? 236 CYS A O 1 ATOM 1680 C CB . CYS A 1 216 ? 24.988 10.902 13.883 1.00 20.07 ? 236 CYS A CB 1 ATOM 1681 S SG . CYS A 1 216 ? 26.565 10.868 13.069 1.00 21.50 ? 236 CYS A SG 1 ATOM 1682 N N . SER A 1 217 ? 22.285 9.769 15.023 1.00 20.67 ? 237 SER A N 1 ATOM 1683 C CA . SER A 1 217 ? 21.210 9.974 16.010 1.00 19.48 ? 237 SER A CA 1 ATOM 1684 C C . SER A 1 217 ? 20.793 8.727 16.779 1.00 20.83 ? 237 SER A C 1 ATOM 1685 O O . SER A 1 217 ? 20.295 8.823 17.901 1.00 19.23 ? 237 SER A O 1 ATOM 1686 C CB . SER A 1 217 ? 19.985 10.590 15.337 1.00 21.09 ? 237 SER A CB 1 ATOM 1687 O OG . SER A 1 217 ? 19.280 9.634 14.503 1.00 18.80 ? 237 SER A OG 1 ATOM 1688 N N . THR A 1 218 ? 20.992 7.543 16.194 1.00 19.65 ? 238 THR A N 1 ATOM 1689 C CA . THR A 1 218 ? 20.342 6.342 16.723 1.00 20.13 ? 238 THR A CA 1 ATOM 1690 C C . THR A 1 218 ? 21.235 5.124 16.703 1.00 19.22 ? 238 THR A C 1 ATOM 1691 O O . THR A 1 218 ? 21.328 4.432 17.711 1.00 20.60 ? 238 THR A O 1 ATOM 1692 C CB . THR A 1 218 ? 19.053 6.069 15.900 1.00 19.89 ? 238 THR A CB 1 ATOM 1693 O OG1 . THR A 1 218 ? 18.270 7.286 15.816 1.00 18.90 ? 238 THR A OG1 1 ATOM 1694 C CG2 . THR A 1 218 ? 18.215 4.982 16.499 1.00 21.03 ? 238 THR A CG2 1 ATOM 1695 N N . VAL A 1 219 ? 21.848 4.811 15.566 1.00 19.00 ? 239 VAL A N 1 ATOM 1696 C CA . VAL A 1 219 ? 22.599 3.559 15.472 1.00 17.46 ? 239 VAL A CA 1 ATOM 1697 C C . VAL A 1 219 ? 23.753 3.518 16.531 1.00 17.60 ? 239 VAL A C 1 ATOM 1698 O O . VAL A 1 219 ? 23.965 2.514 17.194 1.00 16.48 ? 239 VAL A O 1 ATOM 1699 C CB . VAL A 1 219 ? 23.186 3.291 14.047 1.00 17.24 ? 239 VAL A CB 1 ATOM 1700 C CG1 . VAL A 1 219 ? 23.930 1.953 14.057 1.00 16.34 ? 239 VAL A CG1 1 ATOM 1701 C CG2 . VAL A 1 219 ? 22.116 3.237 12.950 1.00 16.39 ? 239 VAL A CG2 1 ATOM 1702 N N . LEU A 1 220 ? 24.501 4.604 16.617 1.00 19.06 ? 240 LEU A N 1 ATOM 1703 C CA . LEU A 1 220 ? 25.748 4.670 17.339 1.00 20.45 ? 240 LEU A CA 1 ATOM 1704 C C . LEU A 1 220 ? 25.779 5.750 18.389 1.00 21.88 ? 240 LEU A C 1 ATOM 1705 O O . LEU A 1 220 ? 26.824 5.952 18.993 1.00 22.24 ? 240 LEU A O 1 ATOM 1706 C CB . LEU A 1 220 ? 26.917 4.907 16.341 1.00 20.46 ? 240 LEU A CB 1 ATOM 1707 C CG . LEU A 1 220 ? 27.235 3.801 15.361 1.00 20.17 ? 240 LEU A CG 1 ATOM 1708 C CD1 . LEU A 1 220 ? 28.267 4.280 14.381 1.00 21.34 ? 240 LEU A CD1 1 ATOM 1709 C CD2 . LEU A 1 220 ? 27.720 2.554 16.030 1.00 22.79 ? 240 LEU A CD2 1 ATOM 1710 N N . ASP A 1 221 ? 24.666 6.432 18.646 1.00 23.38 ? 241 ASP A N 1 ATOM 1711 C CA . ASP A 1 221 ? 24.738 7.597 19.536 1.00 24.70 ? 241 ASP A CA 1 ATOM 1712 C C . ASP A 1 221 ? 25.042 7.223 21.014 1.00 24.97 ? 241 ASP A C 1 ATOM 1713 O O . ASP A 1 221 ? 25.492 8.084 21.755 1.00 23.41 ? 241 ASP A O 1 ATOM 1714 C CB . ASP A 1 221 ? 23.512 8.479 19.465 1.00 26.20 ? 241 ASP A CB 1 ATOM 1715 C CG . ASP A 1 221 ? 22.321 7.809 20.045 1.00 29.26 ? 241 ASP A CG 1 ATOM 1716 O OD1 . ASP A 1 221 ? 22.087 6.680 19.565 1.00 26.30 ? 241 ASP A OD1 1 ATOM 1717 O OD2 . ASP A 1 221 ? 21.663 8.385 20.954 1.00 27.77 ? 241 ASP A OD2 1 ATOM 1718 N N . ASP A 1 222 ? 24.804 5.968 21.422 1.00 23.91 ? 242 ASP A N 1 ATOM 1719 C CA . ASP A 1 222 ? 25.222 5.504 22.742 1.00 24.29 ? 242 ASP A CA 1 ATOM 1720 C C . ASP A 1 222 ? 26.742 5.390 22.940 1.00 24.89 ? 242 ASP A C 1 ATOM 1721 O O . ASP A 1 222 ? 27.198 5.297 24.073 1.00 29.53 ? 242 ASP A O 1 ATOM 1722 C CB . ASP A 1 222 ? 24.647 4.126 23.038 1.00 24.89 ? 242 ASP A CB 1 ATOM 1723 C CG . ASP A 1 222 ? 23.172 4.131 23.083 1.00 28.02 ? 242 ASP A CG 1 ATOM 1724 O OD1 . ASP A 1 222 ? 22.619 5.005 23.767 1.00 26.23 ? 242 ASP A OD1 1 ATOM 1725 O OD2 . ASP A 1 222 ? 22.574 3.319 22.351 1.00 27.22 ? 242 ASP A OD2 1 ATOM 1726 N N . GLY A 1 223 ? 27.492 5.302 21.856 1.00 24.39 ? 243 GLY A N 1 ATOM 1727 C CA . GLY A 1 223 ? 28.943 5.079 21.885 1.00 23.14 ? 243 GLY A CA 1 ATOM 1728 C C . GLY A 1 223 ? 29.296 3.638 21.682 1.00 21.55 ? 243 GLY A C 1 ATOM 1729 O O . GLY A 1 223 ? 28.530 2.746 22.057 1.00 22.62 ? 243 GLY A O 1 ATOM 1730 N N . LEU A 1 224 ? 30.468 3.365 21.133 1.00 22.65 ? 244 LEU A N 1 ATOM 1731 C CA . LEU A 1 224 ? 30.861 1.973 20.941 1.00 24.95 ? 244 LEU A CA 1 ATOM 1732 C C . LEU A 1 224 ? 31.103 1.228 22.238 1.00 25.91 ? 244 LEU A C 1 ATOM 1733 O O . LEU A 1 224 ? 30.973 -0.023 22.262 1.00 26.56 ? 244 LEU A O 1 ATOM 1734 C CB . LEU A 1 224 ? 32.057 1.825 20.028 1.00 26.20 ? 244 LEU A CB 1 ATOM 1735 C CG . LEU A 1 224 ? 31.752 1.970 18.551 1.00 28.10 ? 244 LEU A CG 1 ATOM 1736 C CD1 . LEU A 1 224 ? 33.064 1.766 17.806 1.00 30.47 ? 244 LEU A CD1 1 ATOM 1737 C CD2 . LEU A 1 224 ? 30.734 0.943 18.076 1.00 27.84 ? 244 LEU A CD2 1 ATOM 1738 N N . ALA A 1 225 ? 31.435 1.942 23.324 1.00 25.09 ? 245 ALA A N 1 ATOM 1739 C CA . ALA A 1 225 ? 31.607 1.243 24.595 1.00 27.26 ? 245 ALA A CA 1 ATOM 1740 C C . ALA A 1 225 ? 30.324 0.510 24.997 1.00 27.91 ? 245 ALA A C 1 ATOM 1741 O O . ALA A 1 225 ? 30.333 -0.711 25.279 1.00 28.75 ? 245 ALA A O 1 ATOM 1742 C CB . ALA A 1 225 ? 32.062 2.199 25.733 1.00 29.51 ? 245 ALA A CB 1 ATOM 1743 N N . TYR A 1 226 ? 29.222 1.257 25.029 1.00 26.41 ? 246 TYR A N 1 ATOM 1744 C CA . TYR A 1 226 ? 27.881 0.679 25.330 1.00 25.07 ? 246 TYR A CA 1 ATOM 1745 C C . TYR A 1 226 ? 27.506 -0.441 24.370 1.00 23.20 ? 246 TYR A C 1 ATOM 1746 O O . TYR A 1 226 ? 27.084 -1.502 24.775 1.00 27.75 ? 246 TYR A O 1 ATOM 1747 C CB . TYR A 1 226 ? 26.823 1.803 25.283 1.00 25.59 ? 246 TYR A CB 1 ATOM 1748 C CG . TYR A 1 226 ? 25.392 1.324 25.490 1.00 23.95 ? 246 TYR A CG 1 ATOM 1749 C CD1 . TYR A 1 226 ? 24.646 0.811 24.426 1.00 23.26 ? 246 TYR A CD1 1 ATOM 1750 C CD2 . TYR A 1 226 ? 24.786 1.400 26.751 1.00 25.17 ? 246 TYR A CD2 1 ATOM 1751 C CE1 . TYR A 1 226 ? 23.361 0.397 24.598 1.00 23.08 ? 246 TYR A CE1 1 ATOM 1752 C CE2 . TYR A 1 226 ? 23.491 0.952 26.941 1.00 25.78 ? 246 TYR A CE2 1 ATOM 1753 C CZ . TYR A 1 226 ? 22.789 0.463 25.830 1.00 23.96 ? 246 TYR A CZ 1 ATOM 1754 O OH . TYR A 1 226 ? 21.527 0.008 25.939 1.00 28.18 ? 246 TYR A OH 1 ATOM 1755 N N . ILE A 1 227 ? 27.699 -0.191 23.084 1.00 25.36 ? 247 ILE A N 1 ATOM 1756 C CA . ILE A 1 227 ? 27.310 -1.107 22.015 1.00 23.24 ? 247 ILE A CA 1 ATOM 1757 C C . ILE A 1 227 ? 28.086 -2.385 22.080 1.00 21.75 ? 247 ILE A C 1 ATOM 1758 O O . ILE A 1 227 ? 27.558 -3.465 21.823 1.00 22.89 ? 247 ILE A O 1 ATOM 1759 C CB . ILE A 1 227 ? 27.436 -0.383 20.605 1.00 24.26 ? 247 ILE A CB 1 ATOM 1760 C CG1 . ILE A 1 227 ? 26.227 0.537 20.417 1.00 27.43 ? 247 ILE A CG1 1 ATOM 1761 C CG2 . ILE A 1 227 ? 27.433 -1.369 19.457 1.00 24.18 ? 247 ILE A CG2 1 ATOM 1762 C CD1 . ILE A 1 227 ? 26.460 1.754 19.562 1.00 29.98 ? 247 ILE A CD1 1 ATOM 1763 N N . ASN A 1 228 ? 29.376 -2.277 22.366 1.00 22.48 ? 248 ASN A N 1 ATOM 1764 C CA . ASN A 1 228 ? 30.212 -3.472 22.484 1.00 21.96 ? 248 ASN A CA 1 ATOM 1765 C C . ASN A 1 228 ? 29.905 -4.331 23.744 1.00 21.13 ? 248 ASN A C 1 ATOM 1766 O O . ASN A 1 228 ? 30.240 -5.509 23.769 1.00 21.36 ? 248 ASN A O 1 ATOM 1767 C CB . ASN A 1 228 ? 31.688 -3.098 22.513 1.00 22.89 ? 248 ASN A CB 1 ATOM 1768 C CG . ASN A 1 228 ? 32.236 -2.675 21.159 1.00 24.61 ? 248 ASN A CG 1 ATOM 1769 O OD1 . ASN A 1 228 ? 31.565 -2.767 20.121 1.00 21.65 ? 248 ASN A OD1 1 ATOM 1770 N ND2 . ASN A 1 228 ? 33.487 -2.214 21.170 1.00 23.87 ? 248 ASN A ND2 1 ATOM 1771 N N . SER A 1 229 ? 29.294 -3.740 24.758 1.00 21.46 ? 249 SER A N 1 ATOM 1772 C CA . SER A 1 229 ? 29.198 -4.366 26.094 1.00 22.84 ? 249 SER A CA 1 ATOM 1773 C C . SER A 1 229 ? 27.770 -4.611 26.615 1.00 23.44 ? 249 SER A C 1 ATOM 1774 O O . SER A 1 229 ? 27.603 -5.127 27.696 1.00 22.51 ? 249 SER A O 1 ATOM 1775 C CB . SER A 1 229 ? 29.963 -3.508 27.115 1.00 22.75 ? 249 SER A CB 1 ATOM 1776 O OG . SER A 1 229 ? 29.432 -2.180 27.193 1.00 25.90 ? 249 SER A OG 1 ATOM 1777 N N . THR A 1 230 ? 26.745 -4.239 25.861 1.00 23.89 ? 250 THR A N 1 ATOM 1778 C CA . THR A 1 230 ? 25.386 -4.319 26.325 1.00 22.67 ? 250 THR A CA 1 ATOM 1779 C C . THR A 1 230 ? 24.581 -5.215 25.424 1.00 22.50 ? 250 THR A C 1 ATOM 1780 O O . THR A 1 230 ? 24.741 -5.187 24.182 1.00 22.05 ? 250 THR A O 1 ATOM 1781 C CB . THR A 1 230 ? 24.742 -2.927 26.304 1.00 23.70 ? 250 THR A CB 1 ATOM 1782 O OG1 . THR A 1 230 ? 25.601 -1.995 26.952 1.00 23.64 ? 250 THR A OG1 1 ATOM 1783 C CG2 . THR A 1 230 ? 23.386 -2.947 27.049 1.00 24.69 ? 250 THR A CG2 1 ATOM 1784 N N . ASP A 1 231 ? 23.683 -5.987 26.025 1.00 21.87 ? 251 ASP A N 1 ATOM 1785 C CA . ASP A 1 231 ? 22.732 -6.765 25.244 1.00 23.26 ? 251 ASP A CA 1 ATOM 1786 C C . ASP A 1 231 ? 21.782 -5.771 24.519 1.00 21.92 ? 251 ASP A C 1 ATOM 1787 O O . ASP A 1 231 ? 21.036 -5.019 25.171 1.00 21.18 ? 251 ASP A O 1 ATOM 1788 C CB . ASP A 1 231 ? 21.970 -7.782 26.122 1.00 22.81 ? 251 ASP A CB 1 ATOM 1789 C CG . ASP A 1 231 ? 21.156 -8.763 25.277 1.00 23.84 ? 251 ASP A CG 1 ATOM 1790 O OD1 . ASP A 1 231 ? 20.405 -8.266 24.373 1.00 22.25 ? 251 ASP A OD1 1 ATOM 1791 O OD2 . ASP A 1 231 ? 21.260 -10.011 25.439 1.00 21.33 ? 251 ASP A OD2 1 ATOM 1792 N N . LEU A 1 232 ? 21.842 -5.750 23.183 1.00 21.42 ? 252 LEU A N 1 ATOM 1793 C CA . LEU A 1 232 ? 21.131 -4.711 22.399 1.00 21.60 ? 252 LEU A CA 1 ATOM 1794 C C . LEU A 1 232 ? 19.639 -4.994 22.163 1.00 23.04 ? 252 LEU A C 1 ATOM 1795 O O . LEU A 1 232 ? 18.940 -4.150 21.619 1.00 24.98 ? 252 LEU A O 1 ATOM 1796 C CB . LEU A 1 232 ? 21.897 -4.434 21.083 1.00 20.19 ? 252 LEU A CB 1 ATOM 1797 C CG . LEU A 1 232 ? 23.345 -3.952 21.319 1.00 19.85 ? 252 LEU A CG 1 ATOM 1798 C CD1 . LEU A 1 232 ? 24.063 -3.595 20.046 1.00 19.69 ? 252 LEU A CD1 1 ATOM 1799 C CD2 . LEU A 1 232 ? 23.413 -2.773 22.314 1.00 20.22 ? 252 LEU A CD2 1 ATOM 1800 N N . SER A 1 233 ? 19.147 -6.165 22.577 1.00 23.31 ? 253 SER A N 1 ATOM 1801 C CA . SER A 1 233 ? 17.720 -6.516 22.501 1.00 22.42 ? 253 SER A CA 1 ATOM 1802 C C . SER A 1 233 ? 16.889 -5.850 23.578 1.00 24.50 ? 253 SER A C 1 ATOM 1803 O O . SER A 1 233 ? 15.699 -6.109 23.625 1.00 21.11 ? 253 SER A O 1 ATOM 1804 C CB . SER A 1 233 ? 17.551 -8.048 22.631 1.00 25.33 ? 253 SER A CB 1 ATOM 1805 O OG . SER A 1 233 ? 17.797 -8.472 23.984 1.00 22.72 ? 253 SER A OG 1 ATOM 1806 N N . GLY A 1 234 ? 17.507 -5.014 24.454 1.00 25.87 ? 254 GLY A N 1 ATOM 1807 C CA . GLY A 1 234 ? 16.799 -4.302 25.554 1.00 24.48 ? 254 GLY A CA 1 ATOM 1808 C C . GLY A 1 234 ? 16.442 -2.876 25.116 1.00 24.70 ? 254 GLY A C 1 ATOM 1809 O O . GLY A 1 234 ? 15.752 -2.693 24.115 1.00 24.19 ? 254 GLY A O 1 ATOM 1810 N N . GLU A 1 235 ? 16.965 -1.878 25.830 1.00 23.72 ? 255 GLU A N 1 ATOM 1811 C CA . GLU A 1 235 ? 16.654 -0.466 25.554 1.00 25.09 ? 255 GLU A CA 1 ATOM 1812 C C . GLU A 1 235 ? 17.155 -0.024 24.152 1.00 21.33 ? 255 GLU A C 1 ATOM 1813 O O . GLU A 1 235 ? 16.593 0.901 23.589 1.00 19.52 ? 255 GLU A O 1 ATOM 1814 C CB . GLU A 1 235 ? 17.208 0.565 26.574 1.00 25.90 ? 255 GLU A CB 1 ATOM 1815 C CG . GLU A 1 235 ? 17.767 0.129 27.901 1.00 31.13 ? 255 GLU A CG 1 ATOM 1816 C CD . GLU A 1 235 ? 18.970 0.978 28.316 0.50 27.60 ? 255 GLU A CD 1 ATOM 1817 O OE1 . GLU A 1 235 ? 20.140 0.497 28.311 0.50 25.68 ? 255 GLU A OE1 1 ATOM 1818 O OE2 . GLU A 1 235 ? 18.709 2.142 28.627 0.50 26.35 ? 255 GLU A OE2 1 ATOM 1819 N N . TYR A 1 236 ? 18.207 -0.655 23.619 1.00 19.43 ? 256 TYR A N 1 ATOM 1820 C CA . TYR A 1 236 ? 18.717 -0.298 22.305 1.00 19.46 ? 256 TYR A CA 1 ATOM 1821 C C . TYR A 1 236 ? 17.650 -0.601 21.199 1.00 19.42 ? 256 TYR A C 1 ATOM 1822 O O . TYR A 1 236 ? 17.423 0.198 20.331 1.00 17.68 ? 256 TYR A O 1 ATOM 1823 C CB . TYR A 1 236 ? 20.031 -1.022 22.024 1.00 18.79 ? 256 TYR A CB 1 ATOM 1824 C CG . TYR A 1 236 ? 20.650 -0.653 20.708 1.00 19.07 ? 256 TYR A CG 1 ATOM 1825 C CD1 . TYR A 1 236 ? 21.546 0.413 20.607 1.00 18.95 ? 256 TYR A CD1 1 ATOM 1826 C CD2 . TYR A 1 236 ? 20.344 -1.368 19.545 1.00 18.71 ? 256 TYR A CD2 1 ATOM 1827 C CE1 . TYR A 1 236 ? 22.134 0.772 19.380 1.00 18.23 ? 256 TYR A CE1 1 ATOM 1828 C CE2 . TYR A 1 236 ? 20.934 -1.029 18.307 1.00 19.50 ? 256 TYR A CE2 1 ATOM 1829 C CZ . TYR A 1 236 ? 21.809 0.067 18.232 1.00 18.68 ? 256 TYR A CZ 1 ATOM 1830 O OH . TYR A 1 236 ? 22.427 0.423 17.053 1.00 17.95 ? 256 TYR A OH 1 ATOM 1831 N N . TYR A 1 237 ? 17.039 -1.776 21.302 1.00 21.08 ? 257 TYR A N 1 ATOM 1832 C CA . TYR A 1 237 ? 15.921 -2.214 20.464 1.00 21.06 ? 257 TYR A CA 1 ATOM 1833 C C . TYR A 1 237 ? 14.771 -1.228 20.559 1.00 20.97 ? 257 TYR A C 1 ATOM 1834 O O . TYR A 1 237 ? 14.241 -0.800 19.527 1.00 16.26 ? 257 TYR A O 1 ATOM 1835 C CB . TYR A 1 237 ? 15.438 -3.604 20.882 1.00 20.56 ? 257 TYR A CB 1 ATOM 1836 C CG . TYR A 1 237 ? 14.128 -3.990 20.256 1.00 21.05 ? 257 TYR A CG 1 ATOM 1837 C CD1 . TYR A 1 237 ? 14.089 -4.429 18.940 1.00 20.23 ? 257 TYR A CD1 1 ATOM 1838 C CD2 . TYR A 1 237 ? 12.915 -3.841 20.944 1.00 21.17 ? 257 TYR A CD2 1 ATOM 1839 C CE1 . TYR A 1 237 ? 12.893 -4.740 18.327 1.00 21.48 ? 257 TYR A CE1 1 ATOM 1840 C CE2 . TYR A 1 237 ? 11.703 -4.152 20.344 1.00 19.66 ? 257 TYR A CE2 1 ATOM 1841 C CZ . TYR A 1 237 ? 11.706 -4.610 19.032 1.00 21.66 ? 257 TYR A CZ 1 ATOM 1842 O OH . TYR A 1 237 ? 10.546 -4.959 18.377 1.00 19.24 ? 257 TYR A OH 1 ATOM 1843 N N . ASP A 1 238 ? 14.384 -0.883 21.796 1.00 20.12 ? 258 ASP A N 1 ATOM 1844 C CA . ASP A 1 238 ? 13.295 0.059 21.998 1.00 21.44 ? 258 ASP A CA 1 ATOM 1845 C C . ASP A 1 238 ? 13.530 1.409 21.334 1.00 22.70 ? 258 ASP A C 1 ATOM 1846 O O . ASP A 1 238 ? 12.613 1.966 20.745 1.00 19.23 ? 258 ASP A O 1 ATOM 1847 C CB . ASP A 1 238 ? 12.989 0.285 23.470 1.00 22.51 ? 258 ASP A CB 1 ATOM 1848 C CG . ASP A 1 238 ? 12.532 -0.984 24.153 1.00 25.18 ? 258 ASP A CG 1 ATOM 1849 O OD1 . ASP A 1 238 ? 11.980 -1.863 23.476 1.00 26.58 ? 258 ASP A OD1 1 ATOM 1850 O OD2 . ASP A 1 238 ? 12.809 -1.133 25.349 1.00 26.62 ? 258 ASP A OD2 1 ATOM 1851 N N . LYS A 1 239 ? 14.736 1.936 21.482 1.00 20.79 ? 259 LYS A N 1 ATOM 1852 C CA . LYS A 1 239 ? 15.132 3.195 20.811 1.00 23.91 ? 259 LYS A CA 1 ATOM 1853 C C . LYS A 1 239 ? 15.180 3.081 19.271 1.00 20.56 ? 259 LYS A C 1 ATOM 1854 O O . LYS A 1 239 ? 14.878 4.022 18.582 1.00 19.15 ? 259 LYS A O 1 ATOM 1855 C CB . LYS A 1 239 ? 16.523 3.599 21.331 1.00 28.76 ? 259 LYS A CB 1 ATOM 1856 C CG . LYS A 1 239 ? 17.287 4.582 20.480 1.00 33.38 ? 259 LYS A CG 1 ATOM 1857 C CD . LYS A 1 239 ? 18.687 4.729 20.996 1.00 43.20 ? 259 LYS A CD 1 ATOM 1858 C CE . LYS A 1 239 ? 19.573 3.612 20.484 1.00 46.11 ? 259 LYS A CE 1 ATOM 1859 N NZ . LYS A 1 239 ? 20.946 4.165 20.510 1.00 50.04 ? 259 LYS A NZ 1 ATOM 1860 N N . SER A 1 240 ? 15.629 1.919 18.753 1.00 18.58 ? 260 SER A N 1 ATOM 1861 C CA . SER A 1 240 ? 15.829 1.717 17.335 1.00 17.53 ? 260 SER A CA 1 ATOM 1862 C C . SER A 1 240 ? 14.501 1.448 16.595 1.00 17.93 ? 260 SER A C 1 ATOM 1863 O O . SER A 1 240 ? 14.382 1.777 15.416 1.00 17.39 ? 260 SER A O 1 ATOM 1864 C CB . SER A 1 240 ? 16.726 0.528 17.070 1.00 17.75 ? 260 SER A CB 1 ATOM 1865 O OG . SER A 1 240 ? 18.016 0.666 17.641 1.00 18.55 ? 260 SER A OG 1 ATOM 1866 N N . GLN A 1 241 ? 13.506 0.847 17.261 1.00 16.94 ? 261 GLN A N 1 ATOM 1867 C CA . GLN A 1 241 ? 12.321 0.413 16.538 1.00 17.05 ? 261 GLN A CA 1 ATOM 1868 C C . GLN A 1 241 ? 11.592 1.515 15.760 1.00 16.99 ? 261 GLN A C 1 ATOM 1869 O O . GLN A 1 241 ? 11.240 1.314 14.583 1.00 15.93 ? 261 GLN A O 1 ATOM 1870 C CB . GLN A 1 241 ? 11.367 -0.369 17.457 1.00 18.95 ? 261 GLN A CB 1 ATOM 1871 C CG . GLN A 1 241 ? 10.131 -0.913 16.731 1.00 19.74 ? 261 GLN A CG 1 ATOM 1872 C CD . GLN A 1 241 ? 9.168 -1.630 17.668 1.00 21.21 ? 261 GLN A CD 1 ATOM 1873 O OE1 . GLN A 1 241 ? 9.367 -1.633 18.861 1.00 20.65 ? 261 GLN A OE1 1 ATOM 1874 N NE2 . GLN A 1 241 ? 8.116 -2.246 17.110 1.00 22.94 ? 261 GLN A NE2 1 ATOM 1875 N N . PRO A 1 242 ? 11.349 2.678 16.391 1.00 16.89 ? 262 PRO A N 1 ATOM 1876 C CA . PRO A 1 242 ? 10.664 3.764 15.671 1.00 17.62 ? 262 PRO A CA 1 ATOM 1877 C C . PRO A 1 242 ? 11.433 4.228 14.471 1.00 17.66 ? 262 PRO A C 1 ATOM 1878 O O . PRO A 1 242 ? 10.829 4.696 13.504 1.00 16.27 ? 262 PRO A O 1 ATOM 1879 C CB . PRO A 1 242 ? 10.560 4.901 16.689 1.00 19.32 ? 262 PRO A CB 1 ATOM 1880 C CG . PRO A 1 242 ? 10.953 4.323 18.004 1.00 19.85 ? 262 PRO A CG 1 ATOM 1881 C CD . PRO A 1 242 ? 11.665 3.018 17.779 1.00 18.47 ? 262 PRO A CD 1 ATOM 1882 N N . VAL A 1 243 ? 12.772 4.106 14.542 1.00 17.50 ? 263 VAL A N 1 ATOM 1883 C CA . VAL A 1 243 ? 13.624 4.592 13.513 1.00 17.36 ? 263 VAL A CA 1 ATOM 1884 C C . VAL A 1 243 ? 13.608 3.604 12.352 1.00 17.31 ? 263 VAL A C 1 ATOM 1885 O O . VAL A 1 243 ? 13.345 4.039 11.220 1.00 17.79 ? 263 VAL A O 1 ATOM 1886 C CB . VAL A 1 243 ? 15.093 4.852 14.024 1.00 19.28 ? 263 VAL A CB 1 ATOM 1887 C CG1 . VAL A 1 243 ? 16.031 5.040 12.819 1.00 19.18 ? 263 VAL A CG1 1 ATOM 1888 C CG2 . VAL A 1 243 ? 15.120 6.077 14.937 1.00 19.68 ? 263 VAL A CG2 1 ATOM 1889 N N . PHE A 1 244 ? 13.870 2.298 12.597 1.00 15.74 ? 264 PHE A N 1 ATOM 1890 C CA . PHE A 1 244 ? 13.820 1.349 11.460 1.00 16.07 ? 264 PHE A CA 1 ATOM 1891 C C . PHE A 1 244 ? 12.407 1.222 10.870 1.00 14.04 ? 264 PHE A C 1 ATOM 1892 O O . PHE A 1 244 ? 12.259 1.056 9.688 1.00 13.90 ? 264 PHE A O 1 ATOM 1893 C CB . PHE A 1 244 ? 14.551 -0.019 11.671 1.00 15.70 ? 264 PHE A CB 1 ATOM 1894 C CG . PHE A 1 244 ? 13.989 -0.894 12.762 1.00 15.78 ? 264 PHE A CG 1 ATOM 1895 C CD1 . PHE A 1 244 ? 12.855 -1.660 12.545 1.00 15.63 ? 264 PHE A CD1 1 ATOM 1896 C CD2 . PHE A 1 244 ? 14.668 -1.036 13.977 1.00 15.36 ? 264 PHE A CD2 1 ATOM 1897 C CE1 . PHE A 1 244 ? 12.358 -2.504 13.523 1.00 15.71 ? 264 PHE A CE1 1 ATOM 1898 C CE2 . PHE A 1 244 ? 14.196 -1.871 14.960 1.00 15.26 ? 264 PHE A CE2 1 ATOM 1899 C CZ . PHE A 1 244 ? 13.040 -2.621 14.730 1.00 16.00 ? 264 PHE A CZ 1 ATOM 1900 N N . GLU A 1 245 ? 11.386 1.302 11.703 1.00 14.95 ? 265 GLU A N 1 ATOM 1901 C CA . GLU A 1 245 ? 9.988 1.368 11.200 1.00 15.68 ? 265 GLU A CA 1 ATOM 1902 C C . GLU A 1 245 ? 9.719 2.542 10.261 1.00 16.39 ? 265 GLU A C 1 ATOM 1903 O O . GLU A 1 245 ? 9.222 2.330 9.131 1.00 14.67 ? 265 GLU A O 1 ATOM 1904 C CB . GLU A 1 245 ? 8.988 1.271 12.340 1.00 16.03 ? 265 GLU A CB 1 ATOM 1905 C CG . GLU A 1 245 ? 9.050 -0.171 12.862 1.00 16.93 ? 265 GLU A CG 1 ATOM 1906 C CD . GLU A 1 245 ? 8.064 -0.556 13.950 1.00 17.25 ? 265 GLU A CD 1 ATOM 1907 O OE1 . GLU A 1 245 ? 7.992 -1.801 14.148 1.00 16.59 ? 265 GLU A OE1 1 ATOM 1908 O OE2 . GLU A 1 245 ? 7.414 0.310 14.580 1.00 16.73 ? 265 GLU A OE2 1 ATOM 1909 N N . GLU A 1 246 ? 10.152 3.754 10.652 1.00 16.00 ? 266 GLU A N 1 ATOM 1910 C CA . GLU A 1 246 ? 9.965 4.894 9.795 1.00 15.53 ? 266 GLU A CA 1 ATOM 1911 C C . GLU A 1 246 ? 10.762 4.778 8.549 1.00 15.20 ? 266 GLU A C 1 ATOM 1912 O O . GLU A 1 246 ? 10.231 5.090 7.456 1.00 14.63 ? 266 GLU A O 1 ATOM 1913 C CB . GLU A 1 246 ? 10.206 6.223 10.491 1.00 17.43 ? 266 GLU A CB 1 ATOM 1914 C CG . GLU A 1 246 ? 9.846 7.364 9.569 1.00 19.21 ? 266 GLU A CG 1 ATOM 1915 C CD . GLU A 1 246 ? 10.073 8.744 10.166 1.00 20.97 ? 266 GLU A CD 1 ATOM 1916 O OE1 . GLU A 1 246 ? 10.153 9.711 9.390 1.00 22.77 ? 266 GLU A OE1 1 ATOM 1917 O OE2 . GLU A 1 246 ? 10.160 8.887 11.398 1.00 26.28 ? 266 GLU A OE2 1 ATOM 1918 N N . LEU A 1 247 ? 12.020 4.301 8.669 1.00 14.91 ? 267 LEU A N 1 ATOM 1919 C CA . LEU A 1 247 ? 12.814 4.152 7.466 1.00 14.64 ? 267 LEU A CA 1 ATOM 1920 C C . LEU A 1 247 ? 12.277 3.134 6.452 1.00 15.57 ? 267 LEU A C 1 ATOM 1921 O O . LEU A 1 247 ? 12.402 3.321 5.221 1.00 14.63 ? 267 LEU A O 1 ATOM 1922 C CB . LEU A 1 247 ? 14.273 3.911 7.816 1.00 15.50 ? 267 LEU A CB 1 ATOM 1923 C CG . LEU A 1 247 ? 14.985 5.120 8.454 1.00 15.65 ? 267 LEU A CG 1 ATOM 1924 C CD1 . LEU A 1 247 ? 16.276 4.708 9.164 1.00 15.78 ? 267 LEU A CD1 1 ATOM 1925 C CD2 . LEU A 1 247 ? 15.221 6.159 7.372 1.00 15.95 ? 267 LEU A CD2 1 ATOM 1926 N N . ILE A 1 248 ? 11.726 2.022 6.954 1.00 14.38 ? 268 ILE A N 1 ATOM 1927 C CA . ILE A 1 248 ? 11.139 1.036 6.072 1.00 15.95 ? 268 ILE A CA 1 ATOM 1928 C C . ILE A 1 248 ? 9.877 1.650 5.367 1.00 15.41 ? 268 ILE A C 1 ATOM 1929 O O . ILE A 1 248 ? 9.669 1.441 4.189 1.00 14.06 ? 268 ILE A O 1 ATOM 1930 C CB . ILE A 1 248 ? 10.789 -0.280 6.855 1.00 15.16 ? 268 ILE A CB 1 ATOM 1931 C CG1 . ILE A 1 248 ? 12.075 -1.002 7.196 1.00 14.83 ? 268 ILE A CG1 1 ATOM 1932 C CG2 . ILE A 1 248 ? 9.845 -1.192 6.048 1.00 16.03 ? 268 ILE A CG2 1 ATOM 1933 C CD1 . ILE A 1 248 ? 11.867 -2.144 8.186 1.00 14.94 ? 268 ILE A CD1 1 ATOM 1934 N N . ALA A 1 249 ? 9.061 2.394 6.136 1.00 16.23 ? 269 ALA A N 1 ATOM 1935 C CA . ALA A 1 249 ? 7.964 3.156 5.594 1.00 16.26 ? 269 ALA A CA 1 ATOM 1936 C C . ALA A 1 249 ? 8.420 4.159 4.502 1.00 16.39 ? 269 ALA A C 1 ATOM 1937 O O . ALA A 1 249 ? 7.874 4.163 3.387 1.00 16.58 ? 269 ALA A O 1 ATOM 1938 C CB . ALA A 1 249 ? 7.205 3.821 6.690 1.00 15.97 ? 269 ALA A CB 1 ATOM 1939 N N . LYS A 1 250 ? 9.471 4.919 4.785 1.00 17.26 ? 270 LYS A N 1 ATOM 1940 C CA . LYS A 1 250 ? 9.998 5.859 3.790 1.00 17.78 ? 270 LYS A CA 1 ATOM 1941 C C . LYS A 1 250 ? 10.463 5.159 2.557 1.00 16.80 ? 270 LYS A C 1 ATOM 1942 O O . LYS A 1 250 ? 10.196 5.643 1.419 1.00 17.25 ? 270 LYS A O 1 ATOM 1943 C CB . LYS A 1 250 ? 11.189 6.632 4.344 1.00 18.63 ? 270 LYS A CB 1 ATOM 1944 C CG . LYS A 1 250 ? 10.792 7.728 5.308 1.00 19.59 ? 270 LYS A CG 1 ATOM 1945 C CD . LYS A 1 250 ? 11.997 8.496 5.819 1.00 23.00 ? 270 LYS A CD 1 ATOM 1946 C CE . LYS A 1 250 ? 11.652 9.902 6.217 1.00 26.75 ? 270 LYS A CE 1 ATOM 1947 N NZ . LYS A 1 250 ? 12.785 10.585 6.900 1.00 31.03 ? 270 LYS A NZ 1 ATOM 1948 N N . ALA A 1 251 ? 11.212 4.068 2.769 1.00 15.59 ? 271 ALA A N 1 ATOM 1949 C CA . ALA A 1 251 ? 11.655 3.214 1.663 1.00 15.18 ? 271 ALA A CA 1 ATOM 1950 C C . ALA A 1 251 ? 10.470 2.758 0.780 1.00 15.16 ? 271 ALA A C 1 ATOM 1951 O O . ALA A 1 251 ? 10.524 2.928 -0.432 1.00 14.79 ? 271 ALA A O 1 ATOM 1952 C CB . ALA A 1 251 ? 12.471 2.021 2.152 1.00 14.20 ? 271 ALA A CB 1 ATOM 1953 N N . GLY A 1 252 ? 9.375 2.271 1.393 1.00 15.66 ? 272 GLY A N 1 ATOM 1954 C CA . GLY A 1 252 ? 8.202 1.804 0.627 1.00 15.38 ? 272 GLY A CA 1 ATOM 1955 C C . GLY A 1 252 ? 7.534 2.927 -0.159 1.00 15.49 ? 272 GLY A C 1 ATOM 1956 O O . GLY A 1 252 ? 7.161 2.790 -1.322 1.00 15.17 ? 272 GLY A O 1 ATOM 1957 N N . TYR A 1 253 ? 7.361 4.041 0.519 1.00 15.06 ? 273 TYR A N 1 ATOM 1958 C CA . TYR A 1 253 ? 6.701 5.185 -0.064 1.00 16.82 ? 273 TYR A CA 1 ATOM 1959 C C . TYR A 1 253 ? 7.510 5.771 -1.224 1.00 17.13 ? 273 TYR A C 1 ATOM 1960 O O . TYR A 1 253 ? 6.961 6.062 -2.328 1.00 17.32 ? 273 TYR A O 1 ATOM 1961 C CB . TYR A 1 253 ? 6.433 6.185 1.026 1.00 17.09 ? 273 TYR A CB 1 ATOM 1962 C CG . TYR A 1 253 ? 5.493 7.290 0.652 1.00 18.23 ? 273 TYR A CG 1 ATOM 1963 C CD1 . TYR A 1 253 ? 4.120 7.084 0.627 1.00 19.37 ? 273 TYR A CD1 1 ATOM 1964 C CD2 . TYR A 1 253 ? 5.981 8.587 0.407 1.00 19.59 ? 273 TYR A CD2 1 ATOM 1965 C CE1 . TYR A 1 253 ? 3.259 8.131 0.318 1.00 22.31 ? 273 TYR A CE1 1 ATOM 1966 C CE2 . TYR A 1 253 ? 5.125 9.622 0.076 1.00 22.33 ? 273 TYR A CE2 1 ATOM 1967 C CZ . TYR A 1 253 ? 3.769 9.395 0.053 1.00 23.28 ? 273 TYR A CZ 1 ATOM 1968 O OH . TYR A 1 253 ? 2.932 10.432 -0.256 1.00 25.44 ? 273 TYR A OH 1 ATOM 1969 N N . ARG A 1 254 ? 8.813 5.882 -1.001 1.00 17.72 ? 274 ARG A N 1 ATOM 1970 C CA . ARG A 1 254 ? 9.703 6.438 -1.979 1.00 17.16 ? 274 ARG A CA 1 ATOM 1971 C C . ARG A 1 254 ? 9.848 5.497 -3.121 1.00 16.46 ? 274 ARG A C 1 ATOM 1972 O O . ARG A 1 254 ? 9.892 5.944 -4.260 1.00 16.25 ? 274 ARG A O 1 ATOM 1973 C CB . ARG A 1 254 ? 11.058 6.771 -1.376 1.00 18.06 ? 274 ARG A CB 1 ATOM 1974 C CG . ARG A 1 254 ? 10.998 8.020 -0.525 1.00 18.18 ? 274 ARG A CG 1 ATOM 1975 C CD . ARG A 1 254 ? 12.213 8.155 0.362 1.00 16.70 ? 274 ARG A CD 1 ATOM 1976 N NE . ARG A 1 254 ? 12.234 9.476 0.995 1.00 18.34 ? 274 ARG A NE 1 ATOM 1977 C CZ . ARG A 1 254 ? 13.035 9.832 2.002 1.00 18.99 ? 274 ARG A CZ 1 ATOM 1978 N NH1 . ARG A 1 254 ? 13.920 8.980 2.501 1.00 18.79 ? 274 ARG A NH1 1 ATOM 1979 N NH2 . ARG A 1 254 ? 12.989 11.067 2.496 1.00 21.08 ? 274 ARG A NH2 1 ATOM 1980 N N . LEU A 1 255 ? 9.971 4.211 -2.845 1.00 14.83 ? 275 LEU A N 1 ATOM 1981 C CA . LEU A 1 255 ? 9.928 3.209 -3.936 1.00 16.46 ? 275 LEU A CA 1 ATOM 1982 C C . LEU A 1 255 ? 8.694 3.344 -4.849 1.00 15.55 ? 275 LEU A C 1 ATOM 1983 O O . LEU A 1 255 ? 8.809 3.298 -6.069 1.00 15.19 ? 275 LEU A O 1 ATOM 1984 C CB . LEU A 1 255 ? 9.953 1.790 -3.412 1.00 15.59 ? 275 LEU A CB 1 ATOM 1985 C CG . LEU A 1 255 ? 9.881 0.636 -4.430 1.00 16.95 ? 275 LEU A CG 1 ATOM 1986 C CD1 . LEU A 1 255 ? 10.978 0.720 -5.474 1.00 16.81 ? 275 LEU A CD1 1 ATOM 1987 C CD2 . LEU A 1 255 ? 9.982 -0.670 -3.633 1.00 17.04 ? 275 LEU A CD2 1 ATOM 1988 N N . ALA A 1 256 ? 7.523 3.495 -4.247 1.00 16.17 ? 276 ALA A N 1 ATOM 1989 C CA . ALA A 1 256 ? 6.283 3.672 -5.031 1.00 15.99 ? 276 ALA A CA 1 ATOM 1990 C C . ALA A 1 256 ? 6.348 4.920 -5.937 1.00 16.08 ? 276 ALA A C 1 ATOM 1991 O O . ALA A 1 256 ? 5.990 4.858 -7.114 1.00 18.31 ? 276 ALA A O 1 ATOM 1992 C CB . ALA A 1 256 ? 5.059 3.711 -4.091 1.00 15.42 ? 276 ALA A CB 1 ATOM 1993 N N . ALA A 1 257 ? 6.787 6.038 -5.383 1.00 18.44 ? 277 ALA A N 1 ATOM 1994 C CA . ALA A 1 257 ? 6.900 7.304 -6.113 1.00 17.35 ? 277 ALA A CA 1 ATOM 1995 C C . ALA A 1 257 ? 7.867 7.140 -7.262 1.00 17.94 ? 277 ALA A C 1 ATOM 1996 O O . ALA A 1 257 ? 7.584 7.551 -8.395 1.00 18.07 ? 277 ALA A O 1 ATOM 1997 C CB . ALA A 1 257 ? 7.314 8.408 -5.165 1.00 17.18 ? 277 ALA A CB 1 ATOM 1998 N N . TRP A 1 258 ? 8.986 6.460 -6.996 1.00 16.32 ? 278 TRP A N 1 ATOM 1999 C CA . TRP A 1 258 ? 9.977 6.281 -8.033 1.00 16.79 ? 278 TRP A CA 1 ATOM 2000 C C . TRP A 1 258 ? 9.427 5.375 -9.149 1.00 17.11 ? 278 TRP A C 1 ATOM 2001 O O . TRP A 1 258 ? 9.566 5.686 -10.330 1.00 17.61 ? 278 TRP A O 1 ATOM 2002 C CB . TRP A 1 258 ? 11.249 5.711 -7.428 1.00 16.58 ? 278 TRP A CB 1 ATOM 2003 C CG . TRP A 1 258 ? 12.457 5.872 -8.242 1.00 16.09 ? 278 TRP A CG 1 ATOM 2004 C CD1 . TRP A 1 258 ? 13.204 4.891 -8.736 1.00 16.79 ? 278 TRP A CD1 1 ATOM 2005 C CD2 . TRP A 1 258 ? 13.097 7.103 -8.622 1.00 16.76 ? 278 TRP A CD2 1 ATOM 2006 N NE1 . TRP A 1 258 ? 14.276 5.392 -9.402 1.00 17.45 ? 278 TRP A NE1 1 ATOM 2007 C CE2 . TRP A 1 258 ? 14.226 6.756 -9.373 1.00 16.73 ? 278 TRP A CE2 1 ATOM 2008 C CE3 . TRP A 1 258 ? 12.797 8.463 -8.436 1.00 17.09 ? 278 TRP A CE3 1 ATOM 2009 C CZ2 . TRP A 1 258 ? 15.115 7.707 -9.907 1.00 17.21 ? 278 TRP A CZ2 1 ATOM 2010 C CZ3 . TRP A 1 258 ? 13.679 9.436 -8.992 1.00 16.96 ? 278 TRP A CZ3 1 ATOM 2011 C CH2 . TRP A 1 258 ? 14.831 9.030 -9.710 1.00 17.38 ? 278 TRP A CH2 1 ATOM 2012 N N . LEU A 1 259 ? 8.812 4.241 -8.772 1.00 17.07 ? 279 LEU A N 1 ATOM 2013 C CA . LEU A 1 259 ? 8.151 3.330 -9.760 1.00 17.86 ? 279 LEU A CA 1 ATOM 2014 C C . LEU A 1 259 ? 7.054 4.039 -10.579 1.00 18.19 ? 279 LEU A C 1 ATOM 2015 O O . LEU A 1 259 ? 7.014 3.906 -11.793 1.00 17.23 ? 279 LEU A O 1 ATOM 2016 C CB . LEU A 1 259 ? 7.596 2.063 -9.078 1.00 17.35 ? 279 LEU A CB 1 ATOM 2017 C CG . LEU A 1 259 ? 8.619 1.148 -8.449 1.00 17.36 ? 279 LEU A CG 1 ATOM 2018 C CD1 . LEU A 1 259 ? 7.946 -0.022 -7.716 1.00 17.73 ? 279 LEU A CD1 1 ATOM 2019 C CD2 . LEU A 1 259 ? 9.580 0.633 -9.474 1.00 18.23 ? 279 LEU A CD2 1 ATOM 2020 N N . ASP A 1 260 ? 6.218 4.846 -9.930 1.00 19.09 ? 280 ASP A N 1 ATOM 2021 C CA . ASP A 1 260 ? 5.248 5.669 -10.658 1.00 20.48 ? 280 ASP A CA 1 ATOM 2022 C C . ASP A 1 260 ? 5.933 6.593 -11.688 1.00 23.10 ? 280 ASP A C 1 ATOM 2023 O O . ASP A 1 260 ? 5.457 6.729 -12.817 1.00 24.37 ? 280 ASP A O 1 ATOM 2024 C CB . ASP A 1 260 ? 4.399 6.518 -9.712 1.00 21.20 ? 280 ASP A CB 1 ATOM 2025 C CG . ASP A 1 260 ? 3.245 5.766 -9.076 1.00 21.75 ? 280 ASP A CG 1 ATOM 2026 O OD1 . ASP A 1 260 ? 2.863 4.645 -9.465 1.00 21.18 ? 280 ASP A OD1 1 ATOM 2027 O OD2 . ASP A 1 260 ? 2.723 6.353 -8.125 1.00 24.30 ? 280 ASP A OD2 1 ATOM 2028 N N . LEU A 1 261 ? 7.048 7.221 -11.314 1.00 22.94 ? 281 LEU A N 1 ATOM 2029 C CA . LEU A 1 261 ? 7.800 8.031 -12.307 1.00 22.29 ? 281 LEU A CA 1 ATOM 2030 C C . LEU A 1 261 ? 8.336 7.234 -13.475 1.00 21.35 ? 281 LEU A C 1 ATOM 2031 O O . LEU A 1 261 ? 8.209 7.643 -14.628 1.00 22.19 ? 281 LEU A O 1 ATOM 2032 C CB . LEU A 1 261 ? 8.925 8.838 -11.619 1.00 23.15 ? 281 LEU A CB 1 ATOM 2033 C CG . LEU A 1 261 ? 8.401 9.955 -10.754 1.00 24.51 ? 281 LEU A CG 1 ATOM 2034 C CD1 . LEU A 1 261 ? 9.442 10.455 -9.752 1.00 25.31 ? 281 LEU A CD1 1 ATOM 2035 C CD2 . LEU A 1 261 ? 7.882 11.095 -11.657 1.00 26.04 ? 281 LEU A CD2 1 ATOM 2036 N N . ILE A 1 262 ? 8.938 6.083 -13.188 1.00 21.19 ? 282 ILE A N 1 ATOM 2037 C CA . ILE A 1 262 ? 9.516 5.243 -14.213 1.00 21.65 ? 282 ILE A CA 1 ATOM 2038 C C . ILE A 1 262 ? 8.402 4.746 -15.173 1.00 22.96 ? 282 ILE A C 1 ATOM 2039 O O . ILE A 1 262 ? 8.581 4.735 -16.410 1.00 22.06 ? 282 ILE A O 1 ATOM 2040 C CB . ILE A 1 262 ? 10.265 4.044 -13.589 1.00 22.03 ? 282 ILE A CB 1 ATOM 2041 C CG1 . ILE A 1 262 ? 11.586 4.469 -12.899 1.00 20.82 ? 282 ILE A CG1 1 ATOM 2042 C CG2 . ILE A 1 262 ? 10.570 2.957 -14.631 1.00 23.64 ? 282 ILE A CG2 1 ATOM 2043 C CD1 . ILE A 1 262 ? 12.048 3.504 -11.833 1.00 20.09 ? 282 ILE A CD1 1 ATOM 2044 N N . ALA A 1 263 ? 7.289 4.272 -14.602 1.00 21.52 ? 283 ALA A N 1 ATOM 2045 C CA . ALA A 1 263 ? 6.188 3.764 -15.411 1.00 21.95 ? 283 ALA A CA 1 ATOM 2046 C C . ALA A 1 263 ? 5.553 4.852 -16.311 1.00 23.76 ? 283 ALA A C 1 ATOM 2047 O O . ALA A 1 263 ? 5.023 4.511 -17.386 1.00 23.73 ? 283 ALA A O 1 ATOM 2048 C CB . ALA A 1 263 ? 5.122 3.098 -14.563 1.00 21.51 ? 283 ALA A CB 1 ATOM 2049 N N . SER A 1 264 ? 5.605 6.102 -15.858 1.00 23.87 ? 284 SER A N 1 ATOM 2050 C CA . SER A 1 264 ? 5.080 7.264 -16.594 1.00 30.81 ? 284 SER A CA 1 ATOM 2051 C C . SER A 1 264 ? 5.926 7.593 -17.834 1.00 32.23 ? 284 SER A C 1 ATOM 2052 O O . SER A 1 264 ? 5.458 8.307 -18.717 1.00 33.65 ? 284 SER A O 1 ATOM 2053 C CB . SER A 1 264 ? 4.947 8.515 -15.674 1.00 28.70 ? 284 SER A CB 1 ATOM 2054 O OG . SER A 1 264 ? 6.227 9.125 -15.445 1.00 31.99 ? 284 SER A OG 1 ATOM 2055 N N . GLN A 1 265 ? 7.161 7.072 -17.878 1.00 34.59 ? 285 GLN A N 1 ATOM 2056 C CA . GLN A 1 265 ? 8.011 7.065 -19.079 1.00 37.28 ? 285 GLN A CA 1 ATOM 2057 C C . GLN A 1 265 ? 8.223 8.473 -19.654 1.00 41.49 ? 285 GLN A C 1 ATOM 2058 O O . GLN A 1 265 ? 7.823 8.728 -20.789 1.00 39.24 ? 285 GLN A O 1 ATOM 2059 C CB . GLN A 1 265 ? 7.419 6.143 -20.153 1.00 36.59 ? 285 GLN A CB 1 ATOM 2060 C CG . GLN A 1 265 ? 7.476 4.666 -19.765 1.00 35.48 ? 285 GLN A CG 1 ATOM 2061 C CD . GLN A 1 265 ? 8.855 4.056 -19.905 1.00 37.08 ? 285 GLN A CD 1 ATOM 2062 O OE1 . GLN A 1 265 ? 9.349 3.900 -21.027 1.00 38.22 ? 285 GLN A OE1 1 ATOM 2063 N NE2 . GLN A 1 265 ? 9.478 3.662 -18.764 1.00 35.31 ? 285 GLN A NE2 1 ATOM 2064 N N . PRO A 1 266 ? 8.856 9.381 -18.868 1.00 43.69 ? 286 PRO A N 1 ATOM 2065 C CA . PRO A 1 266 ? 9.023 10.821 -19.253 1.00 45.48 ? 286 PRO A CA 1 ATOM 2066 C C . PRO A 1 266 ? 9.886 11.058 -20.506 1.00 48.00 ? 286 PRO A C 1 ATOM 2067 O O . PRO A 1 266 ? 10.631 10.156 -20.894 1.00 46.18 ? 286 PRO A O 1 ATOM 2068 C CB . PRO A 1 266 ? 9.708 11.443 -18.027 1.00 43.90 ? 286 PRO A CB 1 ATOM 2069 C CG . PRO A 1 266 ? 9.651 10.393 -16.954 1.00 43.45 ? 286 PRO A CG 1 ATOM 2070 C CD . PRO A 1 266 ? 9.582 9.070 -17.623 1.00 39.96 ? 286 PRO A CD 1 HETATM 2071 C C1 . NAG B 2 . ? 34.171 -1.805 19.985 1.00 27.65 ? 502 NAG A C1 1 HETATM 2072 C C2 . NAG B 2 . ? 35.456 -1.071 20.264 1.00 28.86 ? 502 NAG A C2 1 HETATM 2073 C C3 . NAG B 2 . ? 36.102 -0.756 18.917 1.00 34.96 ? 502 NAG A C3 1 HETATM 2074 C C4 . NAG B 2 . ? 36.293 -2.012 18.100 1.00 36.36 ? 502 NAG A C4 1 HETATM 2075 C C5 . NAG B 2 . ? 34.989 -2.762 17.917 1.00 33.35 ? 502 NAG A C5 1 HETATM 2076 C C6 . NAG B 2 . ? 35.337 -4.041 17.157 1.00 34.30 ? 502 NAG A C6 1 HETATM 2077 C C7 . NAG B 2 . ? 35.169 0.129 22.395 1.00 26.61 ? 502 NAG A C7 1 HETATM 2078 C C8 . NAG B 2 . ? 35.086 1.500 23.004 1.00 23.93 ? 502 NAG A C8 1 HETATM 2079 N N2 . NAG B 2 . ? 35.326 0.126 21.053 1.00 26.42 ? 502 NAG A N2 1 HETATM 2080 O O3 . NAG B 2 . ? 37.411 -0.202 19.024 1.00 33.34 ? 502 NAG A O3 1 HETATM 2081 O O4 . NAG B 2 . ? 36.840 -1.673 16.809 1.00 43.71 ? 502 NAG A O4 1 HETATM 2082 O O5 . NAG B 2 . ? 34.502 -2.991 19.244 1.00 31.52 ? 502 NAG A O5 1 HETATM 2083 O O6 . NAG B 2 . ? 34.227 -4.938 17.069 1.00 41.78 ? 502 NAG A O6 1 HETATM 2084 O O7 . NAG B 2 . ? 35.093 -0.951 23.057 1.00 27.07 ? 502 NAG A O7 1 HETATM 2085 ZN ZN . ZN C 3 . ? 20.933 -5.831 -0.247 1.00 16.99 2 402 ZN A ZN 1 HETATM 2086 ZN ZN . ZN D 3 . ? 22.808 -5.423 5.199 1.00 18.42 2 403 ZN A ZN 1 HETATM 2087 ZN ZN . ZN E 3 . ? 19.088 -5.424 2.473 1.00 16.74 2 401 ZN A ZN 1 HETATM 2088 P P . PO4 F 4 . ? 21.687 -6.876 2.376 0.50 26.43 ? 601 PO4 A P 1 HETATM 2089 O O1 . PO4 F 4 . ? 20.593 -6.268 1.528 0.50 25.95 ? 601 PO4 A O1 1 HETATM 2090 O O2 . PO4 F 4 . ? 21.459 -8.363 2.551 0.50 26.94 ? 601 PO4 A O2 1 HETATM 2091 O O3 . PO4 F 4 . ? 21.652 -6.235 3.754 0.50 26.40 ? 601 PO4 A O3 1 HETATM 2092 O O4 . PO4 F 4 . ? 23.011 -6.683 1.683 0.50 25.46 ? 601 PO4 A O4 1 HETATM 2093 C C1 . GOL G 5 . ? 6.130 -3.580 -19.441 1.00 33.44 ? 701 GOL A C1 1 HETATM 2094 O O1 . GOL G 5 . ? 5.680 -3.285 -18.199 1.00 31.37 ? 701 GOL A O1 1 HETATM 2095 C C2 . GOL G 5 . ? 6.993 -2.452 -19.953 1.00 37.01 ? 701 GOL A C2 1 HETATM 2096 O O2 . GOL G 5 . ? 6.217 -1.253 -20.429 1.00 35.07 ? 701 GOL A O2 1 HETATM 2097 C C3 . GOL G 5 . ? 7.793 -3.253 -20.983 1.00 33.54 ? 701 GOL A C3 1 HETATM 2098 O O3 . GOL G 5 . ? 6.848 -3.936 -21.874 1.00 33.24 ? 701 GOL A O3 1 HETATM 2099 O O . HOH H 6 . ? 21.775 -6.756 3.590 0.50 24.99 ? 802 HOH A O 1 HETATM 2100 O O . HOH H 6 . ? 20.725 -6.361 1.667 0.50 7.50 ? 801 HOH A O 1 HETATM 2101 O O . HOH H 6 . ? 13.923 -7.731 23.102 1.00 29.35 ? 1003 HOH A O 1 HETATM 2102 O O . HOH H 6 . ? 12.807 10.576 12.301 1.00 40.52 ? 1004 HOH A O 1 HETATM 2103 O O . HOH H 6 . ? 36.085 12.301 -4.311 1.00 38.05 ? 1005 HOH A O 1 HETATM 2104 O O . HOH H 6 . ? 23.324 3.871 19.836 1.00 26.95 ? 1006 HOH A O 1 HETATM 2105 O O . HOH H 6 . ? 7.484 -11.407 -9.123 1.00 33.90 ? 1007 HOH A O 1 HETATM 2106 O O . HOH H 6 . ? 16.904 -12.563 -12.956 1.00 26.86 ? 1008 HOH A O 1 HETATM 2107 O O . HOH H 6 . ? 0.281 -2.678 -6.465 1.00 17.51 ? 1009 HOH A O 1 HETATM 2108 O O . HOH H 6 . ? 13.117 -12.262 -3.895 1.00 30.16 ? 1010 HOH A O 1 HETATM 2109 O O . HOH H 6 . ? -2.658 -7.002 7.022 1.00 33.05 ? 1011 HOH A O 1 HETATM 2110 O O . HOH H 6 . ? 14.468 6.518 18.874 1.00 28.03 ? 1012 HOH A O 1 HETATM 2111 O O . HOH H 6 . ? 0.670 -4.782 -0.145 1.00 28.13 ? 1013 HOH A O 1 HETATM 2112 O O . HOH H 6 . ? 33.460 4.649 0.908 1.00 18.64 ? 1014 HOH A O 1 HETATM 2113 O O . HOH H 6 . ? 17.261 -8.796 -16.968 1.00 22.26 ? 1015 HOH A O 1 HETATM 2114 O O . HOH H 6 . ? 31.187 -3.773 -9.323 1.00 23.02 ? 1016 HOH A O 1 HETATM 2115 O O . HOH H 6 . ? 0.356 6.261 -7.101 1.00 30.22 ? 1017 HOH A O 1 HETATM 2116 O O . HOH H 6 . ? 16.933 15.931 -6.812 1.00 35.37 ? 1018 HOH A O 1 HETATM 2117 O O . HOH H 6 . ? 8.284 5.153 13.885 1.00 26.21 ? 1019 HOH A O 1 HETATM 2118 O O . HOH H 6 . ? 12.964 -13.386 -12.349 1.00 28.45 ? 1020 HOH A O 1 HETATM 2119 O O . HOH H 6 . ? 14.383 11.945 8.491 1.00 28.13 ? 1021 HOH A O 1 HETATM 2120 O O . HOH H 6 . ? 14.874 -11.020 7.519 1.00 18.79 ? 1022 HOH A O 1 HETATM 2121 O O . HOH H 6 . ? 23.392 1.932 -18.649 1.00 39.18 ? 1023 HOH A O 1 HETATM 2122 O O . HOH H 6 . ? -0.724 1.217 11.727 1.00 19.87 ? 1024 HOH A O 1 HETATM 2123 O O . HOH H 6 . ? 8.316 -5.019 19.733 1.00 23.36 ? 1025 HOH A O 1 HETATM 2124 O O . HOH H 6 . ? 25.418 4.994 -12.558 1.00 30.21 ? 1026 HOH A O 1 HETATM 2125 O O . HOH H 6 . ? 26.392 -6.537 -0.715 1.00 25.28 ? 1027 HOH A O 1 HETATM 2126 O O . HOH H 6 . ? 17.090 9.714 -15.293 1.00 23.73 ? 1028 HOH A O 1 HETATM 2127 O O . HOH H 6 . ? 21.516 11.783 -11.776 1.00 23.88 ? 1029 HOH A O 1 HETATM 2128 O O . HOH H 6 . ? 7.682 2.055 16.538 1.00 25.06 ? 1030 HOH A O 1 HETATM 2129 O O . HOH H 6 . ? 3.761 -8.745 11.066 1.00 23.83 ? 1031 HOH A O 1 HETATM 2130 O O . HOH H 6 . ? 14.815 -11.291 16.234 1.00 23.61 ? 1032 HOH A O 1 HETATM 2131 O O . HOH H 6 . ? 3.373 12.834 10.787 1.00 23.69 ? 1033 HOH A O 1 HETATM 2132 O O . HOH H 6 . ? -3.431 0.954 -0.869 1.00 27.64 ? 1034 HOH A O 1 HETATM 2133 O O . HOH H 6 . ? 23.547 -14.917 16.661 1.00 32.29 ? 1035 HOH A O 1 HETATM 2134 O O . HOH H 6 . ? 27.432 0.871 4.393 1.00 26.46 ? 805 HOH A O 1 HETATM 2135 O O . HOH H 6 . ? 3.932 12.755 -1.084 1.00 32.86 ? 1037 HOH A O 1 HETATM 2136 O O . HOH H 6 . ? 24.265 -6.446 4.217 1.00 16.19 ? 803 HOH A O 1 HETATM 2137 O O . HOH H 6 . ? 10.057 -14.256 3.817 1.00 28.77 ? 1039 HOH A O 1 HETATM 2138 O O . HOH H 6 . ? 30.125 -14.571 -2.973 1.00 27.56 ? 1040 HOH A O 1 HETATM 2139 O O . HOH H 6 . ? 29.475 4.222 25.021 1.00 22.28 ? 1041 HOH A O 1 HETATM 2140 O O . HOH H 6 . ? 23.528 -5.351 -14.680 1.00 31.31 ? 1042 HOH A O 1 HETATM 2141 O O . HOH H 6 . ? 20.020 -4.939 27.666 1.00 34.60 ? 1043 HOH A O 1 HETATM 2142 O O . HOH H 6 . ? 32.239 -9.179 13.230 1.00 40.47 ? 1044 HOH A O 1 HETATM 2143 O O . HOH H 6 . ? 22.986 2.577 0.458 1.00 20.27 ? 1045 HOH A O 1 HETATM 2144 O O . HOH H 6 . ? 24.823 -13.489 13.401 1.00 30.64 ? 1046 HOH A O 1 HETATM 2145 O O . HOH H 6 . ? -6.675 4.443 8.660 1.00 15.33 ? 1047 HOH A O 1 HETATM 2146 O O . HOH H 6 . ? -2.782 -0.845 -16.589 1.00 22.15 ? 1048 HOH A O 1 HETATM 2147 O O . HOH H 6 . ? 26.961 -5.981 22.648 1.00 22.90 ? 1049 HOH A O 1 HETATM 2148 O O . HOH H 6 . ? 3.505 8.730 -7.069 1.00 35.39 ? 1050 HOH A O 1 HETATM 2149 O O . HOH H 6 . ? 31.621 5.443 -8.197 1.00 42.35 ? 1051 HOH A O 1 HETATM 2150 O O . HOH H 6 . ? 33.499 7.335 -6.184 1.00 24.69 ? 1052 HOH A O 1 HETATM 2151 O O . HOH H 6 . ? 23.812 12.416 6.185 1.00 16.94 ? 1053 HOH A O 1 HETATM 2152 O O . HOH H 6 . ? -2.858 -0.859 5.674 1.00 26.44 ? 1054 HOH A O 1 HETATM 2153 O O . HOH H 6 . ? 16.283 -12.729 13.611 1.00 31.92 ? 1055 HOH A O 1 HETATM 2154 O O . HOH H 6 . ? 27.161 8.821 -11.849 1.00 22.75 ? 1056 HOH A O 1 HETATM 2155 O O . HOH H 6 . ? 32.547 -5.199 19.353 1.00 31.36 ? 1057 HOH A O 1 HETATM 2156 O O . HOH H 6 . ? 22.312 12.923 12.925 1.00 32.31 ? 1058 HOH A O 1 HETATM 2157 O O . HOH H 6 . ? 14.809 -8.230 7.726 1.00 17.27 ? 1059 HOH A O 1 HETATM 2158 O O . HOH H 6 . ? -2.767 -2.236 -0.166 1.00 49.10 ? 1060 HOH A O 1 HETATM 2159 O O . HOH H 6 . ? 21.032 -10.620 7.873 1.00 34.77 ? 1061 HOH A O 1 HETATM 2160 O O . HOH H 6 . ? -4.089 5.350 11.767 1.00 29.26 ? 1062 HOH A O 1 HETATM 2161 O O . HOH H 6 . ? 12.953 1.139 26.873 1.00 47.19 ? 1063 HOH A O 1 HETATM 2162 O O . HOH H 6 . ? 33.023 6.024 9.214 1.00 17.05 ? 1064 HOH A O 1 HETATM 2163 O O . HOH H 6 . ? 22.853 -11.302 27.267 1.00 32.63 ? 1065 HOH A O 1 HETATM 2164 O O . HOH H 6 . ? 0.961 -2.408 2.770 1.00 22.32 ? 1066 HOH A O 1 HETATM 2165 O O . HOH H 6 . ? 5.023 -10.759 -18.888 1.00 36.07 ? 1067 HOH A O 1 HETATM 2166 O O . HOH H 6 . ? 29.390 0.355 28.269 1.00 38.78 ? 1068 HOH A O 1 HETATM 2167 O O . HOH H 6 . ? 1.981 4.582 -14.229 1.00 31.27 ? 1069 HOH A O 1 HETATM 2168 O O . HOH H 6 . ? 12.632 12.400 -1.725 1.00 28.27 ? 1070 HOH A O 1 HETATM 2169 O O . HOH H 6 . ? 4.448 -5.446 14.401 1.00 25.39 ? 1071 HOH A O 1 HETATM 2170 O O . HOH H 6 . ? 16.001 -7.882 -5.932 1.00 16.04 ? 1072 HOH A O 1 HETATM 2171 O O . HOH H 6 . ? 29.777 -17.756 -5.124 1.00 39.92 ? 1073 HOH A O 1 HETATM 2172 O O . HOH H 6 . ? 26.253 -16.658 21.160 1.00 36.41 ? 1074 HOH A O 1 HETATM 2173 O O . HOH H 6 . ? 16.867 -9.626 1.101 1.00 23.69 ? 1075 HOH A O 1 HETATM 2174 O O . HOH H 6 . ? -3.257 -3.227 -12.363 1.00 36.13 ? 1076 HOH A O 1 HETATM 2175 O O . HOH H 6 . ? 20.066 -2.425 25.023 1.00 22.60 ? 1077 HOH A O 1 HETATM 2176 O O . HOH H 6 . ? -1.222 -5.263 10.114 1.00 27.49 ? 1078 HOH A O 1 HETATM 2177 O O . HOH H 6 . ? 23.045 -7.842 -6.115 1.00 16.41 ? 1079 HOH A O 1 HETATM 2178 O O . HOH H 6 . ? 3.006 -8.329 -22.501 1.00 38.93 ? 1080 HOH A O 1 HETATM 2179 O O . HOH H 6 . ? 25.731 -9.292 9.017 1.00 35.57 ? 1081 HOH A O 1 HETATM 2180 O O . HOH H 6 . ? 17.610 11.627 13.529 1.00 29.97 ? 1082 HOH A O 1 HETATM 2181 O O . HOH H 6 . ? 13.889 -8.121 -19.028 1.00 36.48 ? 1083 HOH A O 1 HETATM 2182 O O . HOH H 6 . ? -2.845 -0.606 11.777 1.00 34.43 ? 1084 HOH A O 1 HETATM 2183 O O . HOH H 6 . ? 11.073 7.066 -20.421 1.00 36.65 ? 1085 HOH A O 1 HETATM 2184 O O . HOH H 6 . ? 27.462 1.396 -11.081 1.00 28.99 ? 1086 HOH A O 1 HETATM 2185 O O . HOH H 6 . ? 32.050 13.599 8.567 1.00 33.00 ? 1087 HOH A O 1 HETATM 2186 O O . HOH H 6 . ? 8.555 -10.883 18.094 1.00 31.89 ? 1088 HOH A O 1 HETATM 2187 O O . HOH H 6 . ? -4.687 -2.225 -8.145 1.00 46.21 ? 1089 HOH A O 1 HETATM 2188 O O . HOH H 6 . ? 17.448 12.768 11.181 1.00 29.38 ? 1090 HOH A O 1 HETATM 2189 O O . HOH H 6 . ? 20.883 -12.448 -14.655 0.50 22.82 ? 1091 HOH A O 1 HETATM 2190 O O . HOH H 6 . ? -0.704 -7.860 -14.781 1.00 35.52 ? 1092 HOH A O 1 HETATM 2191 O O . HOH H 6 . ? 7.314 -16.823 3.290 1.00 25.17 ? 1093 HOH A O 1 HETATM 2192 O O . HOH H 6 . ? 13.201 -3.902 -0.861 1.00 19.08 ? 1094 HOH A O 1 HETATM 2193 O O . HOH H 6 . ? 28.151 -7.620 24.282 1.00 25.00 ? 1095 HOH A O 1 HETATM 2194 O O . HOH H 6 . ? 19.956 -5.472 -16.003 1.00 31.78 ? 1096 HOH A O 1 HETATM 2195 O O . HOH H 6 . ? 11.015 4.053 -23.304 1.00 41.62 ? 1097 HOH A O 1 HETATM 2196 O O . HOH H 6 . ? 17.060 7.838 18.309 1.00 27.15 ? 1098 HOH A O 1 HETATM 2197 O O . HOH H 6 . ? 2.091 17.781 5.824 1.00 20.72 ? 1099 HOH A O 1 HETATM 2198 O O . HOH H 6 . ? 32.819 0.642 -4.907 1.00 21.71 ? 1100 HOH A O 1 HETATM 2199 O O . HOH H 6 . ? 32.260 -7.291 -6.084 1.00 32.48 ? 1101 HOH A O 1 HETATM 2200 O O . HOH H 6 . ? 35.644 5.595 -2.500 1.00 41.63 ? 1102 HOH A O 1 HETATM 2201 O O . HOH H 6 . ? 23.409 -15.795 -10.996 1.00 30.80 ? 1103 HOH A O 1 HETATM 2202 O O . HOH H 6 . ? 31.702 5.445 17.088 1.00 38.82 ? 1104 HOH A O 1 HETATM 2203 O O . HOH H 6 . ? 27.530 13.998 -3.289 1.00 25.60 ? 1105 HOH A O 1 HETATM 2204 O O . HOH H 6 . ? 6.381 -4.819 17.464 1.00 37.97 ? 1106 HOH A O 1 HETATM 2205 O O . HOH H 6 . ? 37.356 11.522 -8.298 1.00 42.17 ? 1107 HOH A O 1 HETATM 2206 O O . HOH H 6 . ? 17.277 17.354 -8.974 1.00 45.24 ? 1108 HOH A O 1 HETATM 2207 O O . HOH H 6 . ? 30.662 2.393 -1.046 1.00 14.17 ? 1109 HOH A O 1 HETATM 2208 O O . HOH H 6 . ? 32.197 4.677 23.692 1.00 30.37 ? 1110 HOH A O 1 HETATM 2209 O O . HOH H 6 . ? 29.862 0.421 -2.652 1.00 17.70 ? 1111 HOH A O 1 HETATM 2210 O O . HOH H 6 . ? 10.980 -12.621 -1.699 1.00 36.94 ? 1112 HOH A O 1 HETATM 2211 O O . HOH H 6 . ? 0.206 9.572 -0.581 1.00 40.69 ? 1113 HOH A O 1 HETATM 2212 O O . HOH H 6 . ? 30.415 13.954 -5.074 1.00 28.32 ? 1114 HOH A O 1 HETATM 2213 O O . HOH H 6 . ? 20.921 -9.205 5.252 1.00 22.38 ? 1115 HOH A O 1 HETATM 2214 O O . HOH H 6 . ? 5.447 -6.734 -23.254 1.00 35.62 ? 1116 HOH A O 1 HETATM 2215 O O . HOH H 6 . ? 5.712 9.752 -8.308 1.00 25.83 ? 1117 HOH A O 1 HETATM 2216 O O . HOH H 6 . ? 12.722 16.672 -14.066 1.00 35.89 ? 1118 HOH A O 1 HETATM 2217 O O . HOH H 6 . ? 16.325 -3.543 -21.200 1.00 26.22 ? 1119 HOH A O 1 HETATM 2218 O O . HOH H 6 . ? 24.839 11.516 18.613 1.00 37.79 ? 1120 HOH A O 1 HETATM 2219 O O . HOH H 6 . ? 31.828 5.645 19.907 1.00 33.88 ? 1121 HOH A O 1 HETATM 2220 O O . HOH H 6 . ? 22.967 -10.870 2.421 1.00 42.69 ? 1122 HOH A O 1 HETATM 2221 O O . HOH H 6 . ? 9.297 7.956 14.041 1.00 49.25 ? 1123 HOH A O 1 HETATM 2222 O O . HOH H 6 . ? 5.410 -2.415 15.400 1.00 31.15 ? 1124 HOH A O 1 HETATM 2223 O O . HOH H 6 . ? 7.290 16.127 -3.687 1.00 47.71 ? 1125 HOH A O 1 HETATM 2224 O O . HOH H 6 . ? 25.874 14.133 15.294 1.00 44.80 ? 1126 HOH A O 1 HETATM 2225 O O . HOH H 6 . ? 6.723 19.192 1.288 1.00 40.28 ? 1127 HOH A O 1 HETATM 2226 O O . HOH H 6 . ? 13.721 -13.787 -8.897 1.00 32.87 ? 1128 HOH A O 1 HETATM 2227 O O . HOH H 6 . ? 3.904 -16.643 4.278 1.00 28.24 ? 1129 HOH A O 1 HETATM 2228 O O . HOH H 6 . ? 10.423 18.975 -4.017 1.00 42.46 ? 1130 HOH A O 1 HETATM 2229 O O . HOH H 6 . ? 34.621 -0.485 5.708 1.00 34.78 ? 1131 HOH A O 1 HETATM 2230 O O . HOH H 6 . ? 20.282 2.246 23.866 1.00 33.99 ? 1132 HOH A O 1 HETATM 2231 O O . HOH H 6 . ? 26.812 -17.788 -11.349 1.00 27.62 ? 1133 HOH A O 1 HETATM 2232 O O . HOH H 6 . ? 0.874 -12.265 9.951 1.00 34.70 ? 1134 HOH A O 1 HETATM 2233 O O . HOH H 6 . ? 0.767 1.715 14.243 1.00 23.51 ? 1135 HOH A O 1 HETATM 2234 O O . HOH H 6 . ? 29.560 -2.204 4.122 1.00 37.96 ? 1136 HOH A O 1 HETATM 2235 O O . HOH H 6 . ? 23.399 -6.285 28.960 1.00 24.43 ? 1137 HOH A O 1 HETATM 2236 O O . HOH H 6 . ? 1.851 -0.189 15.886 1.00 35.49 ? 1138 HOH A O 1 HETATM 2237 O O . HOH H 6 . ? 6.569 -7.291 -25.880 1.00 40.48 ? 1139 HOH A O 1 HETATM 2238 O O . HOH H 6 . ? 33.698 7.086 13.949 1.00 40.37 ? 1140 HOH A O 1 HETATM 2239 O O . HOH H 6 . ? 24.225 14.608 7.696 1.00 24.98 ? 1141 HOH A O 1 HETATM 2240 O O . HOH H 6 . ? 17.088 -12.241 17.366 1.00 33.33 ? 1142 HOH A O 1 HETATM 2241 O O . HOH H 6 . ? 11.506 -1.137 -24.516 1.00 26.67 ? 1143 HOH A O 1 HETATM 2242 O O . HOH H 6 . ? -2.355 11.102 12.865 1.00 42.98 ? 1144 HOH A O 1 HETATM 2243 O O . HOH H 6 . ? 26.616 15.586 11.093 1.00 33.71 ? 1145 HOH A O 1 HETATM 2244 O O . HOH H 6 . ? 15.671 -15.714 10.715 1.00 35.89 ? 1146 HOH A O 1 HETATM 2245 O O . HOH H 6 . ? 9.903 0.661 21.026 1.00 34.33 ? 1147 HOH A O 1 HETATM 2246 O O . HOH H 6 . ? 6.167 -16.552 -3.260 1.00 28.67 ? 1148 HOH A O 1 HETATM 2247 O O . HOH H 6 . ? 30.514 -11.083 -11.234 1.00 24.23 ? 1149 HOH A O 1 HETATM 2248 O O . HOH H 6 . ? 24.904 13.692 4.139 1.00 20.41 ? 1150 HOH A O 1 HETATM 2249 O O . HOH H 6 . ? 15.630 -15.243 8.263 1.00 41.39 ? 1151 HOH A O 1 HETATM 2250 O O . HOH H 6 . ? 13.301 -4.531 24.640 1.00 43.78 ? 1152 HOH A O 1 HETATM 2251 O O . HOH H 6 . ? 12.629 13.864 1.308 1.00 30.20 ? 1153 HOH A O 1 HETATM 2252 O O . HOH H 6 . ? 22.524 -8.263 -14.094 1.00 39.56 ? 1154 HOH A O 1 HETATM 2253 O O . HOH H 6 . ? -0.039 5.497 13.994 1.00 15.45 ? 1155 HOH A O 1 HETATM 2254 O O . HOH H 6 . ? 3.388 -15.828 -5.607 1.00 36.18 ? 1156 HOH A O 1 HETATM 2255 O O . HOH H 6 . ? 17.135 -12.150 6.505 1.00 24.27 ? 1157 HOH A O 1 HETATM 2256 O O . HOH H 6 . ? 37.651 1.409 5.354 1.00 23.53 ? 1158 HOH A O 1 HETATM 2257 O O . HOH H 6 . ? 21.122 10.100 -15.211 1.00 31.02 ? 1159 HOH A O 1 HETATM 2258 O O . HOH H 6 . ? 30.046 -14.151 -5.274 1.00 36.62 ? 1160 HOH A O 1 HETATM 2259 O O . HOH H 6 . ? 23.363 -8.954 8.033 1.00 25.49 ? 1161 HOH A O 1 HETATM 2260 O O . HOH H 6 . ? 30.886 13.724 5.808 1.00 34.66 ? 1162 HOH A O 1 HETATM 2261 O O . HOH H 6 . ? 23.216 5.847 -16.732 1.00 42.73 ? 1163 HOH A O 1 HETATM 2262 O O . HOH H 6 . ? 10.415 13.880 -11.236 1.00 24.68 ? 1164 HOH A O 1 HETATM 2263 O O . HOH H 6 . ? 19.150 0.935 -21.948 1.00 41.30 ? 1165 HOH A O 1 HETATM 2264 O O . HOH H 6 . ? -1.892 14.381 3.627 1.00 39.92 ? 1166 HOH A O 1 HETATM 2265 O O . HOH H 6 . ? -4.348 4.342 -10.189 1.00 27.35 ? 1167 HOH A O 1 HETATM 2266 O O . HOH H 6 . ? 31.530 8.799 -8.544 1.00 37.00 ? 1168 HOH A O 1 HETATM 2267 O O . HOH H 6 . ? 18.879 -2.748 28.272 1.00 30.15 ? 1169 HOH A O 1 HETATM 2268 O O . HOH H 6 . ? 26.400 10.528 -14.609 1.00 43.08 ? 1170 HOH A O 1 HETATM 2269 O O . HOH H 6 . ? 22.626 9.849 23.677 1.00 43.89 ? 1171 HOH A O 1 HETATM 2270 O O . HOH H 6 . ? 18.014 -16.088 -10.235 1.00 26.57 ? 1172 HOH A O 1 HETATM 2271 O O . HOH H 6 . ? -0.793 -4.808 -2.885 1.00 33.69 ? 1173 HOH A O 1 HETATM 2272 O O . HOH H 6 . ? -3.429 4.373 -13.003 1.00 35.21 ? 1174 HOH A O 1 HETATM 2273 O O . HOH H 6 . ? 17.977 -15.828 1.406 1.00 33.03 ? 1175 HOH A O 1 HETATM 2274 O O . HOH H 6 . ? 38.437 6.300 -0.631 1.00 41.06 ? 1176 HOH A O 1 HETATM 2275 O O . HOH H 6 . ? 13.674 -13.710 -5.964 1.00 38.39 ? 1177 HOH A O 1 HETATM 2276 O O . HOH H 6 . ? 26.593 0.480 -13.282 1.00 36.52 ? 1178 HOH A O 1 HETATM 2277 O O . HOH H 6 . ? 1.426 -9.185 -17.780 1.00 45.69 ? 1179 HOH A O 1 HETATM 2278 O O . HOH H 6 . ? -1.539 3.852 11.886 1.00 26.86 ? 1180 HOH A O 1 HETATM 2279 O O . HOH H 6 . ? 2.110 7.112 -13.003 1.00 46.63 ? 1181 HOH A O 1 HETATM 2280 O O . HOH H 6 . ? 14.462 -12.185 19.934 1.00 44.48 ? 1182 HOH A O 1 HETATM 2281 O O . HOH H 6 . ? -0.085 12.793 12.401 1.00 38.37 ? 1183 HOH A O 1 HETATM 2282 O O . HOH H 6 . ? 29.162 -12.170 13.565 1.00 38.57 ? 1184 HOH A O 1 HETATM 2283 O O . HOH H 6 . ? 31.541 -5.267 -2.113 0.50 20.85 ? 1185 HOH A O 1 HETATM 2284 O O . HOH H 6 . ? 13.272 -15.301 5.333 1.00 41.20 ? 1186 HOH A O 1 HETATM 2285 O O . HOH H 6 . ? -3.029 -2.708 9.649 1.00 34.09 ? 1187 HOH A O 1 HETATM 2286 O O . HOH H 6 . ? 34.971 -8.919 13.807 1.00 39.86 ? 1188 HOH A O 1 HETATM 2287 O O . HOH H 6 . ? 19.024 3.632 25.408 1.00 37.78 ? 1189 HOH A O 1 HETATM 2288 O O . HOH H 6 . ? 18.859 -13.959 13.049 1.00 29.38 ? 1190 HOH A O 1 HETATM 2289 O O . HOH H 6 . ? 2.336 -10.971 12.380 1.00 32.94 ? 1191 HOH A O 1 HETATM 2290 O O . HOH H 6 . ? 30.570 6.374 -10.412 1.00 43.89 ? 1192 HOH A O 1 HETATM 2291 O O . HOH H 6 . ? 12.028 8.425 14.587 1.00 41.55 ? 1193 HOH A O 1 HETATM 2292 O O . HOH H 6 . ? 10.769 -15.009 -2.198 1.00 41.23 ? 1194 HOH A O 1 HETATM 2293 O O . HOH H 6 . ? 15.932 10.158 16.658 1.00 43.77 ? 1195 HOH A O 1 HETATM 2294 O O . HOH H 6 . ? 30.471 -1.951 -1.075 0.30 20.69 ? 1196 HOH A O 1 HETATM 2295 O O . HOH H 6 . ? 15.694 -14.864 -5.387 1.00 45.89 ? 1197 HOH A O 1 HETATM 2296 O O . HOH H 6 . ? 31.108 7.895 21.059 1.00 37.17 ? 1198 HOH A O 1 HETATM 2297 O O . HOH H 6 . ? 30.347 -9.778 21.473 1.00 42.24 ? 1199 HOH A O 1 HETATM 2298 O O . HOH H 6 . ? 1.982 -15.395 1.838 1.00 47.86 ? 1200 HOH A O 1 HETATM 2299 O O . HOH H 6 . ? 33.683 0.674 -0.849 1.00 39.54 ? 1201 HOH A O 1 HETATM 2300 O O . HOH H 6 . ? 36.925 13.086 7.026 1.00 49.94 ? 1202 HOH A O 1 HETATM 2301 O O . HOH H 6 . ? 2.954 -6.290 12.332 1.00 24.20 ? 1203 HOH A O 1 HETATM 2302 O O . HOH H 6 . ? 20.671 -15.386 -11.156 1.00 36.38 ? 1204 HOH A O 1 HETATM 2303 O O . HOH H 6 . ? 20.121 -13.932 -13.415 0.50 24.80 ? 1205 HOH A O 1 HETATM 2304 O O . HOH H 6 . ? 15.818 -17.065 5.725 1.00 38.00 ? 1206 HOH A O 1 HETATM 2305 O O . HOH H 6 . ? 0.651 8.257 -2.934 1.00 37.83 ? 1207 HOH A O 1 HETATM 2306 O O . HOH H 6 . ? 24.963 -6.274 -21.247 1.00 41.61 ? 1208 HOH A O 1 HETATM 2307 O O . HOH H 6 . ? 12.220 -9.040 24.886 1.00 52.52 ? 1209 HOH A O 1 HETATM 2308 O O . HOH H 6 . ? 28.741 -7.308 0.488 1.00 38.94 ? 1210 HOH A O 1 HETATM 2309 O O . HOH H 6 . ? 32.330 -1.059 -2.303 0.50 21.52 ? 1211 HOH A O 1 HETATM 2310 O O . HOH H 6 . ? 2.878 8.746 -4.208 1.00 45.91 ? 1212 HOH A O 1 HETATM 2311 O O . HOH H 6 . ? 0.279 -6.239 13.168 1.00 39.89 ? 1213 HOH A O 1 HETATM 2312 O O . HOH H 6 . ? 6.440 11.974 -7.040 1.00 42.28 ? 1214 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 TRP 1 21 21 TRP TRP A . n A 1 2 GLY 2 22 22 GLY GLY A . n A 1 3 ASN 3 23 23 ASN ASN A . n A 1 4 LEU 4 24 24 LEU LEU A . n A 1 5 GLY 5 25 25 GLY GLY A . n A 1 6 HIS 6 26 26 HIS HIS A . n A 1 7 GLU 7 27 27 GLU GLU A . n A 1 8 THR 8 28 28 THR THR A . n A 1 9 VAL 9 29 29 VAL VAL A . n A 1 10 ALA 10 30 30 ALA ALA A . n A 1 11 TYR 11 31 31 TYR TYR A . n A 1 12 ILE 12 32 32 ILE ILE A . n A 1 13 ALA 13 33 33 ALA ALA A . n A 1 14 GLN 14 34 34 GLN GLN A . n A 1 15 SER 15 35 35 SER SER A . n A 1 16 PHE 16 36 36 PHE PHE A . n A 1 17 VAL 17 37 37 VAL VAL A . n A 1 18 ALA 18 38 38 ALA ALA A . n A 1 19 SER 19 39 39 SER SER A . n A 1 20 SER 20 40 40 SER SER A . n A 1 21 THR 21 41 41 THR THR A . n A 1 22 GLU 22 42 42 GLU GLU A . n A 1 23 SER 23 43 43 SER SER A . n A 1 24 PHE 24 44 44 PHE PHE A . n A 1 25 CYS 25 45 45 CYS CYS A . n A 1 26 GLN 26 46 46 GLN GLN A . n A 1 27 ASN 27 47 47 ASN ASN A . n A 1 28 ILE 28 48 48 ILE ILE A . n A 1 29 LEU 29 49 49 LEU LEU A . n A 1 30 GLY 30 50 50 GLY GLY A . n A 1 31 ASP 31 51 51 ASP ASP A . n A 1 32 ASP 32 52 52 ASP ASP A . n A 1 33 SER 33 53 53 SER SER A . n A 1 34 THR 34 54 54 THR THR A . n A 1 35 SER 35 55 55 SER SER A . n A 1 36 TYR 36 56 56 TYR TYR A . n A 1 37 LEU 37 57 57 LEU LEU A . n A 1 38 ALA 38 58 58 ALA ALA A . n A 1 39 ASN 39 59 59 ASN ASN A . n A 1 40 VAL 40 60 60 VAL VAL A . n A 1 41 ALA 41 61 61 ALA ALA A . n A 1 42 THR 42 62 62 THR THR A . n A 1 43 TRP 43 63 63 TRP TRP A . n A 1 44 ALA 44 64 64 ALA ALA A . n A 1 45 ASP 45 65 65 ASP ASP A . n A 1 46 THR 46 66 66 THR THR A . n A 1 47 TYR 47 67 67 TYR TYR A . n A 1 48 LYS 48 68 68 LYS LYS A . n A 1 49 TYR 49 69 69 TYR TYR A . n A 1 50 THR 50 70 70 THR THR A . n A 1 51 ASP 51 71 71 ASP ASP A . n A 1 52 ALA 52 72 72 ALA ALA A . n A 1 53 GLY 53 73 73 GLY GLY A . n A 1 54 GLU 54 74 74 GLU GLU A . n A 1 55 PHE 55 75 75 PHE PHE A . n A 1 56 SER 56 76 76 SER SER A . n A 1 57 LYS 57 77 77 LYS LYS A . n A 1 58 PRO 58 78 78 PRO PRO A . n A 1 59 TYR 59 79 79 TYR TYR A . n A 1 60 HIS 60 80 80 HIS HIS A . n A 1 61 PHE 61 81 81 PHE PHE A . n A 1 62 ILE 62 82 82 ILE ILE A . n A 1 63 ASP 63 83 83 ASP ASP A . n A 1 64 ALA 64 84 84 ALA ALA A . n A 1 65 GLN 65 85 85 GLN GLN A . n A 1 66 ASP 66 86 86 ASP ASP A . n A 1 67 ASN 67 87 87 ASN ASN A . n A 1 68 PRO 68 88 88 PRO PRO A . n A 1 69 PRO 69 89 89 PRO PRO A . n A 1 70 GLN 70 90 90 GLN GLN A . n A 1 71 SER 71 91 91 SER SER A . n A 1 72 CYS 72 92 92 CYS CYS A . n A 1 73 GLY 73 93 93 GLY GLY A . n A 1 74 VAL 74 94 94 VAL VAL A . n A 1 75 ASP 75 95 95 ASP ASP A . n A 1 76 TYR 76 96 96 TYR TYR A . n A 1 77 ASP 77 97 97 ASP ASP A . n A 1 78 ARG 78 98 98 ARG ARG A . n A 1 79 ASP 79 99 99 ASP ASP A . n A 1 80 CYS 80 100 100 CYS CYS A . n A 1 81 GLY 81 101 101 GLY GLY A . n A 1 82 SER 82 102 102 SER SER A . n A 1 83 ALA 83 103 103 ALA ALA A . n A 1 84 GLY 84 104 104 GLY GLY A . n A 1 85 CYS 85 105 105 CYS CYS A . n A 1 86 SER 86 106 106 SER SER A . n A 1 87 ILE 87 107 107 ILE ILE A . n A 1 88 SER 88 108 108 SER SER A . n A 1 89 ALA 89 109 109 ALA ALA A . n A 1 90 ILE 90 110 110 ILE ILE A . n A 1 91 GLN 91 111 111 GLN GLN A . n A 1 92 ASN 92 112 112 ASN ASN A . n A 1 93 TYR 93 113 113 TYR TYR A . n A 1 94 THR 94 114 114 THR THR A . n A 1 95 ASN 95 115 115 ASN ASN A . n A 1 96 ILE 96 116 116 ILE ILE A . n A 1 97 LEU 97 117 117 LEU LEU A . n A 1 98 LEU 98 118 118 LEU LEU A . n A 1 99 GLU 99 119 119 GLU GLU A . n A 1 100 SER 100 120 120 SER SER A . n A 1 101 PRO 101 121 121 PRO PRO A . n A 1 102 ASN 102 122 122 ASN ASN A . n A 1 103 GLY 103 123 123 GLY GLY A . n A 1 104 SER 104 124 124 SER SER A . n A 1 105 GLU 105 125 125 GLU GLU A . n A 1 106 ALA 106 126 126 ALA ALA A . n A 1 107 LEU 107 127 127 LEU LEU A . n A 1 108 ASN 108 128 128 ASN ASN A . n A 1 109 ALA 109 129 129 ALA ALA A . n A 1 110 LEU 110 130 130 LEU LEU A . n A 1 111 LYS 111 131 131 LYS LYS A . n A 1 112 PHE 112 132 132 PHE PHE A . n A 1 113 VAL 113 133 133 VAL VAL A . n A 1 114 VAL 114 134 134 VAL VAL A . n A 1 115 HIS 115 135 135 HIS HIS A . n A 1 116 ILE 116 136 136 ILE ILE A . n A 1 117 ILE 117 137 137 ILE ILE A . n A 1 118 GLY 118 138 138 GLY GLY A . n A 1 119 ASP 119 139 139 ASP ASP A . n A 1 120 ILE 120 140 140 ILE ILE A . n A 1 121 HIS 121 141 141 HIS HIS A . n A 1 122 GLN 122 142 142 GLN GLN A . n A 1 123 PRO 123 143 143 PRO PRO A . n A 1 124 LEU 124 144 144 LEU LEU A . n A 1 125 HIS 125 145 145 HIS HIS A . n A 1 126 ASP 126 146 146 ASP ASP A . n A 1 127 GLU 127 147 147 GLU GLU A . n A 1 128 ASN 128 148 148 ASN ASN A . n A 1 129 LEU 129 149 149 LEU LEU A . n A 1 130 GLU 130 150 150 GLU GLU A . n A 1 131 ALA 131 151 151 ALA ALA A . n A 1 132 GLY 132 152 152 GLY GLY A . n A 1 133 GLY 133 153 153 GLY GLY A . n A 1 134 ASN 134 154 154 ASN ASN A . n A 1 135 GLY 135 155 155 GLY GLY A . n A 1 136 ILE 136 156 156 ILE ILE A . n A 1 137 ASP 137 157 157 ASP ASP A . n A 1 138 VAL 138 158 158 VAL VAL A . n A 1 139 THR 139 159 159 THR THR A . n A 1 140 TYR 140 160 160 TYR TYR A . n A 1 141 ASP 141 161 161 ASP ASP A . n A 1 142 GLY 142 162 162 GLY GLY A . n A 1 143 GLU 143 163 163 GLU GLU A . n A 1 144 THR 144 164 164 THR THR A . n A 1 145 THR 145 165 165 THR THR A . n A 1 146 ASN 146 166 166 ASN ASN A . n A 1 147 LEU 147 167 167 LEU LEU A . n A 1 148 HIS 148 168 168 HIS HIS A . n A 1 149 HIS 149 169 169 HIS HIS A . n A 1 150 ILE 150 170 170 ILE ILE A . n A 1 151 TRP 151 171 171 TRP TRP A . n A 1 152 ASP 152 172 172 ASP ASP A . n A 1 153 THR 153 173 173 THR THR A . n A 1 154 ASN 154 174 174 ASN ASN A . n A 1 155 MET 155 175 175 MET MET A . n A 1 156 PRO 156 176 176 PRO PRO A . n A 1 157 GLU 157 177 177 GLU GLU A . n A 1 158 GLU 158 178 178 GLU GLU A . n A 1 159 ALA 159 179 179 ALA ALA A . n A 1 160 ALA 160 180 180 ALA ALA A . n A 1 161 GLY 161 181 181 GLY GLY A . n A 1 162 GLY 162 182 182 GLY GLY A . n A 1 163 TYR 163 183 183 TYR TYR A . n A 1 164 SER 164 184 184 SER SER A . n A 1 165 LEU 165 185 185 LEU LEU A . n A 1 166 SER 166 186 186 SER SER A . n A 1 167 VAL 167 187 187 VAL VAL A . n A 1 168 ALA 168 188 188 ALA ALA A . n A 1 169 LYS 169 189 189 LYS LYS A . n A 1 170 THR 170 190 190 THR THR A . n A 1 171 TYR 171 191 191 TYR TYR A . n A 1 172 ALA 172 192 192 ALA ALA A . n A 1 173 ASP 173 193 193 ASP ASP A . n A 1 174 LEU 174 194 194 LEU LEU A . n A 1 175 LEU 175 195 195 LEU LEU A . n A 1 176 THR 176 196 196 THR THR A . n A 1 177 GLU 177 197 197 GLU GLU A . n A 1 178 ARG 178 198 198 ARG ARG A . n A 1 179 ILE 179 199 199 ILE ILE A . n A 1 180 LYS 180 200 200 LYS LYS A . n A 1 181 THR 181 201 201 THR THR A . n A 1 182 GLY 182 202 202 GLY GLY A . n A 1 183 THR 183 203 203 THR THR A . n A 1 184 TYR 184 204 204 TYR TYR A . n A 1 185 SER 185 205 205 SER SER A . n A 1 186 SER 186 206 206 SER SER A . n A 1 187 LYS 187 207 207 LYS LYS A . n A 1 188 LYS 188 208 208 LYS LYS A . n A 1 189 ASP 189 209 209 ASP ASP A . n A 1 190 SER 190 210 210 SER SER A . n A 1 191 TRP 191 211 211 TRP TRP A . n A 1 192 THR 192 212 212 THR THR A . n A 1 193 ASP 193 213 213 ASP ASP A . n A 1 194 GLY 194 214 214 GLY GLY A . n A 1 195 ILE 195 215 215 ILE ILE A . n A 1 196 ASP 196 216 216 ASP ASP A . n A 1 197 ILE 197 217 217 ILE ILE A . n A 1 198 LYS 198 218 218 LYS LYS A . n A 1 199 ASP 199 219 219 ASP ASP A . n A 1 200 PRO 200 220 220 PRO PRO A . n A 1 201 VAL 201 221 221 VAL VAL A . n A 1 202 SER 202 222 222 SER SER A . n A 1 203 THR 203 223 223 THR THR A . n A 1 204 SER 204 224 224 SER SER A . n A 1 205 MET 205 225 225 MET MET A . n A 1 206 ILE 206 226 226 ILE ILE A . n A 1 207 TRP 207 227 227 TRP TRP A . n A 1 208 ALA 208 228 228 ALA ALA A . n A 1 209 ALA 209 229 229 ALA ALA A . n A 1 210 ASP 210 230 230 ASP ASP A . n A 1 211 ALA 211 231 231 ALA ALA A . n A 1 212 ASN 212 232 232 ASN ASN A . n A 1 213 THR 213 233 233 THR THR A . n A 1 214 TYR 214 234 234 TYR TYR A . n A 1 215 VAL 215 235 235 VAL VAL A . n A 1 216 CYS 216 236 236 CYS CYS A . n A 1 217 SER 217 237 237 SER SER A . n A 1 218 THR 218 238 238 THR THR A . n A 1 219 VAL 219 239 239 VAL VAL A . n A 1 220 LEU 220 240 240 LEU LEU A . n A 1 221 ASP 221 241 241 ASP ASP A . n A 1 222 ASP 222 242 242 ASP ASP A . n A 1 223 GLY 223 243 243 GLY GLY A . n A 1 224 LEU 224 244 244 LEU LEU A . n A 1 225 ALA 225 245 245 ALA ALA A . n A 1 226 TYR 226 246 246 TYR TYR A . n A 1 227 ILE 227 247 247 ILE ILE A . n A 1 228 ASN 228 248 248 ASN ASN A . n A 1 229 SER 229 249 249 SER SER A . n A 1 230 THR 230 250 250 THR THR A . n A 1 231 ASP 231 251 251 ASP ASP A . n A 1 232 LEU 232 252 252 LEU LEU A . n A 1 233 SER 233 253 253 SER SER A . n A 1 234 GLY 234 254 254 GLY GLY A . n A 1 235 GLU 235 255 255 GLU GLU A . n A 1 236 TYR 236 256 256 TYR TYR A . n A 1 237 TYR 237 257 257 TYR TYR A . n A 1 238 ASP 238 258 258 ASP ASP A . n A 1 239 LYS 239 259 259 LYS LYS A . n A 1 240 SER 240 260 260 SER SER A . n A 1 241 GLN 241 261 261 GLN GLN A . n A 1 242 PRO 242 262 262 PRO PRO A . n A 1 243 VAL 243 263 263 VAL VAL A . n A 1 244 PHE 244 264 264 PHE PHE A . n A 1 245 GLU 245 265 265 GLU GLU A . n A 1 246 GLU 246 266 266 GLU GLU A . n A 1 247 LEU 247 267 267 LEU LEU A . n A 1 248 ILE 248 268 268 ILE ILE A . n A 1 249 ALA 249 269 269 ALA ALA A . n A 1 250 LYS 250 270 270 LYS LYS A . n A 1 251 ALA 251 271 271 ALA ALA A . n A 1 252 GLY 252 272 272 GLY GLY A . n A 1 253 TYR 253 273 273 TYR TYR A . n A 1 254 ARG 254 274 274 ARG ARG A . n A 1 255 LEU 255 275 275 LEU LEU A . n A 1 256 ALA 256 276 276 ALA ALA A . n A 1 257 ALA 257 277 277 ALA ALA A . n A 1 258 TRP 258 278 278 TRP TRP A . n A 1 259 LEU 259 279 279 LEU LEU A . n A 1 260 ASP 260 280 280 ASP ASP A . n A 1 261 LEU 261 281 281 LEU LEU A . n A 1 262 ILE 262 282 282 ILE ILE A . n A 1 263 ALA 263 283 283 ALA ALA A . n A 1 264 SER 264 284 284 SER SER A . n A 1 265 GLN 265 285 285 GLN GLN A . n A 1 266 PRO 266 286 286 PRO PRO A . n A 1 267 SER 267 287 ? ? ? 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 1 502 502 NAG NAG A . C 3 ZN 1 402 402 ZN ZN A . D 3 ZN 1 403 403 ZN ZN A . E 3 ZN 1 401 401 ZN ZN A . F 4 PO4 1 601 601 PO4 PO4 A . G 5 GOL 1 701 701 GOL GOL A . H 6 HOH 1 802 802 HOH HOH A . H 6 HOH 2 801 801 HOH HOH A . H 6 HOH 3 1003 853 HOH HOH A . H 6 HOH 4 1004 974 HOH HOH A . H 6 HOH 5 1005 977 HOH HOH A . H 6 HOH 6 1006 866 HOH HOH A . H 6 HOH 7 1007 938 HOH HOH A . H 6 HOH 8 1008 843 HOH HOH A . H 6 HOH 9 1009 832 HOH HOH A . H 6 HOH 10 1010 881 HOH HOH A . H 6 HOH 11 1011 935 HOH HOH A . H 6 HOH 12 1012 963 HOH HOH A . H 6 HOH 13 1013 908 HOH HOH A . H 6 HOH 14 1014 847 HOH HOH A . H 6 HOH 15 1015 884 HOH HOH A . H 6 HOH 16 1016 868 HOH HOH A . H 6 HOH 17 1017 910 HOH HOH A . H 6 HOH 18 1018 919 HOH HOH A . H 6 HOH 19 1019 956 HOH HOH A . H 6 HOH 20 1020 949 HOH HOH A . H 6 HOH 21 1021 917 HOH HOH A . H 6 HOH 22 1022 854 HOH HOH A . H 6 HOH 23 1023 991 HOH HOH A . H 6 HOH 24 1024 844 HOH HOH A . H 6 HOH 25 1025 871 HOH HOH A . H 6 HOH 26 1026 944 HOH HOH A . H 6 HOH 27 1027 888 HOH HOH A . H 6 HOH 28 1028 835 HOH HOH A . H 6 HOH 29 1029 858 HOH HOH A . H 6 HOH 30 1030 922 HOH HOH A . H 6 HOH 31 1031 809 HOH HOH A . H 6 HOH 32 1032 874 HOH HOH A . H 6 HOH 33 1033 862 HOH HOH A . H 6 HOH 34 1034 885 HOH HOH A . H 6 HOH 35 1035 969 HOH HOH A . H 6 HOH 36 805 805 HOH HOH A . H 6 HOH 37 1037 856 HOH HOH A . H 6 HOH 38 803 803 HOH HOH A . H 6 HOH 39 1039 923 HOH HOH A . H 6 HOH 40 1040 839 HOH HOH A . H 6 HOH 41 1041 857 HOH HOH A . H 6 HOH 42 1042 873 HOH HOH A . H 6 HOH 43 1043 811 HOH HOH A . H 6 HOH 44 1044 921 HOH HOH A . H 6 HOH 45 1045 883 HOH HOH A . H 6 HOH 46 1046 899 HOH HOH A . H 6 HOH 47 1047 821 HOH HOH A . H 6 HOH 48 1048 897 HOH HOH A . H 6 HOH 49 1049 815 HOH HOH A . H 6 HOH 50 1050 879 HOH HOH A . H 6 HOH 51 1051 925 HOH HOH A . H 6 HOH 52 1052 846 HOH HOH A . H 6 HOH 53 1053 824 HOH HOH A . H 6 HOH 54 1054 972 HOH HOH A . H 6 HOH 55 1055 907 HOH HOH A . H 6 HOH 56 1056 860 HOH HOH A . H 6 HOH 57 1057 904 HOH HOH A . H 6 HOH 58 1058 889 HOH HOH A . H 6 HOH 59 1059 812 HOH HOH A . H 6 HOH 60 1060 894 HOH HOH A . H 6 HOH 61 1061 810 HOH HOH A . H 6 HOH 62 1062 828 HOH HOH A . H 6 HOH 63 1063 929 HOH HOH A . H 6 HOH 64 1064 836 HOH HOH A . H 6 HOH 65 1065 999 HOH HOH A . H 6 HOH 66 1066 842 HOH HOH A . H 6 HOH 67 1067 931 HOH HOH A . H 6 HOH 68 1068 914 HOH HOH A . H 6 HOH 69 1069 926 HOH HOH A . H 6 HOH 70 1070 855 HOH HOH A . H 6 HOH 71 1071 891 HOH HOH A . H 6 HOH 72 1072 840 HOH HOH A . H 6 HOH 73 1073 863 HOH HOH A . H 6 HOH 74 1074 952 HOH HOH A . H 6 HOH 75 1075 892 HOH HOH A . H 6 HOH 76 1076 983 HOH HOH A . H 6 HOH 77 1077 848 HOH HOH A . H 6 HOH 78 1078 893 HOH HOH A . H 6 HOH 79 1079 826 HOH HOH A . H 6 HOH 80 1080 930 HOH HOH A . H 6 HOH 81 1081 951 HOH HOH A . H 6 HOH 82 1082 825 HOH HOH A . H 6 HOH 83 1083 920 HOH HOH A . H 6 HOH 84 1084 887 HOH HOH A . H 6 HOH 85 1085 831 HOH HOH A . H 6 HOH 86 1086 1009 HOH HOH A . H 6 HOH 87 1087 1006 HOH HOH A . H 6 HOH 88 1088 877 HOH HOH A . H 6 HOH 89 1089 936 HOH HOH A . H 6 HOH 90 1090 960 HOH HOH A . H 6 HOH 91 1091 992 HOH HOH A . H 6 HOH 92 1092 898 HOH HOH A . H 6 HOH 93 1093 890 HOH HOH A . H 6 HOH 94 1094 816 HOH HOH A . H 6 HOH 95 1095 833 HOH HOH A . H 6 HOH 96 1096 948 HOH HOH A . H 6 HOH 97 1097 896 HOH HOH A . H 6 HOH 98 1098 851 HOH HOH A . H 6 HOH 99 1099 829 HOH HOH A . H 6 HOH 100 1100 823 HOH HOH A . H 6 HOH 101 1101 941 HOH HOH A . H 6 HOH 102 1102 875 HOH HOH A . H 6 HOH 103 1103 918 HOH HOH A . H 6 HOH 104 1104 990 HOH HOH A . H 6 HOH 105 1105 841 HOH HOH A . H 6 HOH 106 1106 965 HOH HOH A . H 6 HOH 107 1107 943 HOH HOH A . H 6 HOH 108 1108 1003 HOH HOH A . H 6 HOH 109 1109 814 HOH HOH A . H 6 HOH 110 1110 906 HOH HOH A . H 6 HOH 111 1111 820 HOH HOH A . H 6 HOH 112 1112 924 HOH HOH A . H 6 HOH 113 1113 966 HOH HOH A . H 6 HOH 114 1114 902 HOH HOH A . H 6 HOH 115 1115 813 HOH HOH A . H 6 HOH 116 1116 946 HOH HOH A . H 6 HOH 117 1117 895 HOH HOH A . H 6 HOH 118 1118 968 HOH HOH A . H 6 HOH 119 1119 909 HOH HOH A . H 6 HOH 120 1120 869 HOH HOH A . H 6 HOH 121 1121 852 HOH HOH A . H 6 HOH 122 1122 903 HOH HOH A . H 6 HOH 123 1123 988 HOH HOH A . H 6 HOH 124 1124 964 HOH HOH A . H 6 HOH 125 1125 959 HOH HOH A . H 6 HOH 126 1126 927 HOH HOH A . H 6 HOH 127 1127 970 HOH HOH A . H 6 HOH 128 1128 950 HOH HOH A . H 6 HOH 129 1129 882 HOH HOH A . H 6 HOH 130 1130 971 HOH HOH A . H 6 HOH 131 1131 838 HOH HOH A . H 6 HOH 132 1132 806 HOH HOH A . H 6 HOH 133 1133 807 HOH HOH A . H 6 HOH 134 1134 954 HOH HOH A . H 6 HOH 135 1135 865 HOH HOH A . H 6 HOH 136 1136 1004 HOH HOH A . H 6 HOH 137 1137 818 HOH HOH A . H 6 HOH 138 1138 886 HOH HOH A . H 6 HOH 139 1139 945 HOH HOH A . H 6 HOH 140 1140 913 HOH HOH A . H 6 HOH 141 1141 845 HOH HOH A . H 6 HOH 142 1142 953 HOH HOH A . H 6 HOH 143 1143 822 HOH HOH A . H 6 HOH 144 1144 955 HOH HOH A . H 6 HOH 145 1145 849 HOH HOH A . H 6 HOH 146 1146 1014 HOH HOH A . H 6 HOH 147 1147 916 HOH HOH A . H 6 HOH 148 1148 915 HOH HOH A . H 6 HOH 149 1149 830 HOH HOH A . H 6 HOH 150 1150 850 HOH HOH A . H 6 HOH 151 1151 1015 HOH HOH A . H 6 HOH 152 1152 976 HOH HOH A . H 6 HOH 153 1153 967 HOH HOH A . H 6 HOH 154 1154 942 HOH HOH A . H 6 HOH 155 1155 819 HOH HOH A . H 6 HOH 156 1156 939 HOH HOH A . H 6 HOH 157 1157 872 HOH HOH A . H 6 HOH 158 1158 859 HOH HOH A . H 6 HOH 159 1159 870 HOH HOH A . H 6 HOH 160 1160 958 HOH HOH A . H 6 HOH 161 1161 808 HOH HOH A . H 6 HOH 162 1162 1005 HOH HOH A . H 6 HOH 163 1163 864 HOH HOH A . H 6 HOH 164 1164 827 HOH HOH A . H 6 HOH 165 1165 987 HOH HOH A . H 6 HOH 166 1166 957 HOH HOH A . H 6 HOH 167 1167 837 HOH HOH A . H 6 HOH 168 1168 997 HOH HOH A . H 6 HOH 169 1169 962 HOH HOH A . H 6 HOH 170 1170 986 HOH HOH A . H 6 HOH 171 1171 901 HOH HOH A . H 6 HOH 172 1172 834 HOH HOH A . H 6 HOH 173 1173 876 HOH HOH A . H 6 HOH 174 1174 937 HOH HOH A . H 6 HOH 175 1175 911 HOH HOH A . H 6 HOH 176 1176 989 HOH HOH A . H 6 HOH 177 1177 984 HOH HOH A . H 6 HOH 178 1178 1010 HOH HOH A . H 6 HOH 179 1179 982 HOH HOH A . H 6 HOH 180 1180 861 HOH HOH A . H 6 HOH 181 1181 934 HOH HOH A . H 6 HOH 182 1182 900 HOH HOH A . H 6 HOH 183 1183 880 HOH HOH A . H 6 HOH 184 1184 1002 HOH HOH A . H 6 HOH 185 1185 1012 HOH HOH A . H 6 HOH 186 1186 932 HOH HOH A . H 6 HOH 187 1187 973 HOH HOH A . H 6 HOH 188 1188 928 HOH HOH A . H 6 HOH 189 1189 1008 HOH HOH A . H 6 HOH 190 1190 933 HOH HOH A . H 6 HOH 191 1191 905 HOH HOH A . H 6 HOH 192 1192 998 HOH HOH A . H 6 HOH 193 1193 975 HOH HOH A . H 6 HOH 194 1194 994 HOH HOH A . H 6 HOH 195 1195 878 HOH HOH A . H 6 HOH 196 1196 1013 HOH HOH A . H 6 HOH 197 1197 995 HOH HOH A . H 6 HOH 198 1198 961 HOH HOH A . H 6 HOH 199 1199 947 HOH HOH A . H 6 HOH 200 1200 996 HOH HOH A . H 6 HOH 201 1201 912 HOH HOH A . H 6 HOH 202 1202 1007 HOH HOH A . H 6 HOH 203 1203 817 HOH HOH A . H 6 HOH 204 1204 940 HOH HOH A . H 6 HOH 205 1205 985 HOH HOH A . H 6 HOH 206 1206 1000 HOH HOH A . H 6 HOH 207 1207 978 HOH HOH A . H 6 HOH 208 1208 867 HOH HOH A . H 6 HOH 209 1209 993 HOH HOH A . H 6 HOH 210 1210 981 HOH HOH A . H 6 HOH 211 1211 1011 HOH HOH A . H 6 HOH 212 1212 979 HOH HOH A . H 6 HOH 213 1213 1001 HOH HOH A . H 6 HOH 214 1214 980 HOH HOH A . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _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 # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 1050 ? 1 MORE -126 ? 1 'SSA (A^2)' 10740 ? # _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_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 N ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 O ? A TRP 1 ? A TRP 21 ? 1_555 76.4 ? 2 N ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 119.1 ? 3 O ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 93.7 ? 4 N ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 91.8 ? 5 O ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 168.1 ? 6 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 90.8 ? 7 N ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 O1 ? F PO4 . ? A PO4 601 ? 1_555 131.6 ? 8 O ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 O1 ? F PO4 . ? A PO4 601 ? 1_555 97.5 ? 9 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 O1 ? F PO4 . ? A PO4 601 ? 1_555 109.1 ? 10 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 O1 ? F PO4 . ? A PO4 601 ? 1_555 91.5 ? 11 N ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 O ? H HOH . ? A HOH 801 ? 1_555 126.7 ? 12 O ? A TRP 1 ? A TRP 21 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 O ? H HOH . ? A HOH 801 ? 1_555 93.8 ? 13 NE2 ? A HIS 6 ? A HIS 26 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 O ? H HOH . ? A HOH 801 ? 1_555 113.6 ? 14 OD1 ? A ASP 119 ? A ASP 139 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 O ? H HOH . ? A HOH 801 ? 1_555 94.5 ? 15 O1 ? F PO4 . ? A PO4 601 ? 1_555 ZN ? E ZN . ? A ZN 401 ? 1_555 O ? H HOH . ? A HOH 801 ? 1_555 5.6 ? 16 OD1 ? A ASP 45 ? A ASP 65 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 ND1 ? A HIS 60 ? A HIS 80 ? 1_555 83.5 ? 17 OD1 ? A ASP 45 ? A ASP 65 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 NE2 ? A HIS 115 ? A HIS 135 ? 1_555 80.7 ? 18 ND1 ? A HIS 60 ? A HIS 80 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 NE2 ? A HIS 115 ? A HIS 135 ? 1_555 102.4 ? 19 OD1 ? A ASP 45 ? A ASP 65 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 OD2 ? A ASP 119 ? A ASP 139 ? 1_555 175.4 ? 20 ND1 ? A HIS 60 ? A HIS 80 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 OD2 ? A ASP 119 ? A ASP 139 ? 1_555 93.0 ? 21 NE2 ? A HIS 115 ? A HIS 135 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 OD2 ? A ASP 119 ? A ASP 139 ? 1_555 97.2 ? 22 OD1 ? A ASP 45 ? A ASP 65 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O1 ? F PO4 . ? A PO4 601 ? 1_555 82.2 ? 23 ND1 ? A HIS 60 ? A HIS 80 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O1 ? F PO4 . ? A PO4 601 ? 1_555 144.9 ? 24 NE2 ? A HIS 115 ? A HIS 135 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O1 ? F PO4 . ? A PO4 601 ? 1_555 106.7 ? 25 OD2 ? A ASP 119 ? A ASP 139 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O1 ? F PO4 . ? A PO4 601 ? 1_555 102.3 ? 26 OD1 ? A ASP 45 ? A ASP 65 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O ? H HOH . ? A HOH 801 ? 1_555 80.2 ? 27 ND1 ? A HIS 60 ? A HIS 80 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O ? H HOH . ? A HOH 801 ? 1_555 140.0 ? 28 NE2 ? A HIS 115 ? A HIS 135 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O ? H HOH . ? A HOH 801 ? 1_555 110.5 ? 29 OD2 ? A ASP 119 ? A ASP 139 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O ? H HOH . ? A HOH 801 ? 1_555 104.4 ? 30 O1 ? F PO4 . ? A PO4 601 ? 1_555 ZN ? C ZN . ? A ZN 402 ? 1_555 O ? H HOH . ? A HOH 801 ? 1_555 4.8 ? 31 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 100.0 ? 32 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 OD1 ? A ASP 152 ? A ASP 172 ? 1_555 88.9 ? 33 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 OD1 ? A ASP 152 ? A ASP 172 ? 1_555 90.5 ? 34 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 141.6 ? 35 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 88.6 ? 36 OD1 ? A ASP 152 ? A ASP 172 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 53.4 ? 37 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O3 ? F PO4 . ? A PO4 601 ? 1_555 84.9 ? 38 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O3 ? F PO4 . ? A PO4 601 ? 1_555 174.6 ? 39 OD1 ? A ASP 152 ? A ASP 172 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O3 ? F PO4 . ? A PO4 601 ? 1_555 92.1 ? 40 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O3 ? F PO4 . ? A PO4 601 ? 1_555 89.1 ? 41 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? H HOH . ? A HOH 802 ? 1_555 95.1 ? 42 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? H HOH . ? A HOH 802 ? 1_555 162.3 ? 43 OD1 ? A ASP 152 ? A ASP 172 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? H HOH . ? A HOH 802 ? 1_555 99.2 ? 44 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? H HOH . ? A HOH 802 ? 1_555 85.4 ? 45 O3 ? F PO4 . ? A PO4 601 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? H HOH . ? A HOH 802 ? 1_555 12.3 ? 46 NE2 ? A HIS 125 ? A HIS 145 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? H HOH . ? A HOH 803 ? 1_555 107.8 ? 47 NE2 ? A HIS 148 ? A HIS 168 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? H HOH . ? A HOH 803 ? 1_555 94.0 ? 48 OD1 ? A ASP 152 ? A ASP 172 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? H HOH . ? A HOH 803 ? 1_555 161.6 ? 49 OD2 ? A ASP 152 ? A ASP 172 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? H HOH . ? A HOH 803 ? 1_555 108.8 ? 50 O3 ? F PO4 . ? A PO4 601 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? H HOH . ? A HOH 803 ? 1_555 82.1 ? 51 O ? H HOH . ? A HOH 802 ? 1_555 ZN ? D ZN . ? A ZN 403 ? 1_555 O ? H HOH . ? A HOH 803 ? 1_555 72.3 ? # 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 2016-12-28 2 'Structure model' 1 1 2017-01-11 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0131 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? . 4 ? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot ? ? ? . 5 # 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 CB A ASP 71 ? ? CG A ASP 71 ? ? OD1 A ASP 71 ? ? 124.71 118.30 6.41 0.90 N 2 1 CB A ASP 71 ? ? CG A ASP 71 ? ? OD2 A ASP 71 ? ? 112.01 118.30 -6.29 0.90 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASP A 86 ? ? -118.37 -161.85 2 1 THR A 165 ? ? -154.73 -155.40 3 1 THR A 173 ? ? -138.49 -63.86 4 1 THR A 238 ? ? -140.23 -51.18 # _pdbx_unobs_or_zero_occ_residues.id 1 _pdbx_unobs_or_zero_occ_residues.PDB_model_num 1 _pdbx_unobs_or_zero_occ_residues.polymer_flag Y _pdbx_unobs_or_zero_occ_residues.occupancy_flag 1 _pdbx_unobs_or_zero_occ_residues.auth_asym_id A _pdbx_unobs_or_zero_occ_residues.auth_comp_id SER _pdbx_unobs_or_zero_occ_residues.auth_seq_id 287 _pdbx_unobs_or_zero_occ_residues.PDB_ins_code ? _pdbx_unobs_or_zero_occ_residues.label_asym_id A _pdbx_unobs_or_zero_occ_residues.label_comp_id SER _pdbx_unobs_or_zero_occ_residues.label_seq_id 267 # loop_ _pdbx_audit_support.funding_organization _pdbx_audit_support.country _pdbx_audit_support.grant_number _pdbx_audit_support.ordinal 'Ministry of Education, Youth and Sports of the Czech Republic' 'Czech Republic' LG14009 1 ;BIOCEV: Biotechnology and Biomedicine Centre of the Academy of Sciences and Charles University from the European Regional Development Fund ; 'Czech Republic' CZ.1.05/1.1.00/02.0109 2 'European Community' ? 283570/8787 3 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 'ZINC ION' ZN 4 'PHOSPHATE ION' PO4 5 GLYCEROL GOL 6 water HOH #