data_4AC1 # _entry.id 4AC1 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.287 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4AC1 PDBE EBI-49497 WWPDB D_1290049497 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4AC1 _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.SG_entry . _pdbx_database_status.recvd_initial_deposition_date 2011-12-12 _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Stals, I.' 1 'Karkehabadi, S.' 2 'Devreese, B.' 3 'Kim, S.' 4 'Ward, M.' 5 'Sandgren, M.' 6 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary ;High Resolution Crystal Structure of the Endo-N-Acetyl-Beta- D-Glucosaminidase Responsible for the Deglycosylation of Hypocrea Jecorina Cellulases. ; 'Plos One' 7 40854 ? 2012 ? US 1932-6203 ? ? 22859955 10.1371/JOURNAL.PONE.0040854 1 'Identification of a Gene Coding for a Deglycosylating Enzyme in Hypocrea Jecorina.' 'Fems Microbiol.Lett.' 303 9 ? 2010 FMLED7 NE 0378-1097 2102 ? 20015338 10.1111/J.1574-6968.2009.01849.X # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Stals, I.' 1 primary 'Karkehabadi, S.' 2 primary 'Kim, S.' 3 primary 'Ward, M.' 4 primary 'Van Landschoot, A.' 5 primary 'Devreese, B.' 6 primary 'Sandgren, M.' 7 1 'Stals, I.' 8 1 'Samyn, B.' 9 1 'Sergeant, K.' 10 1 'White, T.' 11 1 'Hoorelbeke, K.' 12 1 'Coorevits, A.' 13 1 'Devreese, B.' 14 1 'Claeyssens, M.' 15 1 'Piens, K.' 16 # _cell.entry_id 4AC1 _cell.length_a 35.438 _cell.length_b 63.874 _cell.length_c 59.360 _cell.angle_alpha 90.00 _cell.angle_beta 100.97 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4AC1 _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 # 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 nat ENDO-N-ACETYL-BETA-D-GLUCOSAMINIDASE 30938.514 1 3.2.1.96 ? 'GLYCOSIDE HYDROLASE, RESIDUES 31-313' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 3 non-polymer syn 'ACETATE ION' 59.044 3 ? ? ? ? 4 non-polymer syn 'ZINC ION' 65.409 8 ? ? ? ? 5 water nat water 18.015 434 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name ENDO-BETA-N-ACETYLGLUCOSAMINIDASE # _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 ;DLPRLIVYFQTTHDSSNRPISMLPLITEKGIALTHLIVCSFHINQGGVVHLNDFPPDDPHFYTLWNETITMKQAGVKVMG MVGGAAPGSFNTQTLDSPDSATFEHYYGQLRDAIVNFQLEGMDLDVEQPMSQQGIDRLIARLRADFGPDFLITLAPVASA LEDSSNLSGFSYTALQQTQGNDIDWYNTQFYSGFGSMADTSDYDRIVANGFAPAKVVAGQLTTPEGAGWIPTSSLNNTIV SLVSEYGQIGGVMGWEYFNSLPGGTAEPWEWAQIVTVILRPGL ; _entity_poly.pdbx_seq_one_letter_code_can ;DLPRLIVYFQTTHDSSNRPISMLPLITEKGIALTHLIVCSFHINQGGVVHLNDFPPDDPHFYTLWNETITMKQAGVKVMG MVGGAAPGSFNTQTLDSPDSATFEHYYGQLRDAIVNFQLEGMDLDVEQPMSQQGIDRLIARLRADFGPDFLITLAPVASA LEDSSNLSGFSYTALQQTQGNDIDWYNTQFYSGFGSMADTSDYDRIVANGFAPAKVVAGQLTTPEGAGWIPTSSLNNTIV SLVSEYGQIGGVMGWEYFNSLPGGTAEPWEWAQIVTVILRPGL ; _entity_poly.pdbx_strand_id X _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 ASP n 1 2 LEU n 1 3 PRO n 1 4 ARG n 1 5 LEU n 1 6 ILE n 1 7 VAL n 1 8 TYR n 1 9 PHE n 1 10 GLN n 1 11 THR n 1 12 THR n 1 13 HIS n 1 14 ASP n 1 15 SER n 1 16 SER n 1 17 ASN n 1 18 ARG n 1 19 PRO n 1 20 ILE n 1 21 SER n 1 22 MET n 1 23 LEU n 1 24 PRO n 1 25 LEU n 1 26 ILE n 1 27 THR n 1 28 GLU n 1 29 LYS n 1 30 GLY n 1 31 ILE n 1 32 ALA n 1 33 LEU n 1 34 THR n 1 35 HIS n 1 36 LEU n 1 37 ILE n 1 38 VAL n 1 39 CYS n 1 40 SER n 1 41 PHE n 1 42 HIS n 1 43 ILE n 1 44 ASN n 1 45 GLN n 1 46 GLY n 1 47 GLY n 1 48 VAL n 1 49 VAL n 1 50 HIS n 1 51 LEU n 1 52 ASN n 1 53 ASP n 1 54 PHE n 1 55 PRO n 1 56 PRO n 1 57 ASP n 1 58 ASP n 1 59 PRO n 1 60 HIS n 1 61 PHE n 1 62 TYR n 1 63 THR n 1 64 LEU n 1 65 TRP n 1 66 ASN n 1 67 GLU n 1 68 THR n 1 69 ILE n 1 70 THR n 1 71 MET n 1 72 LYS n 1 73 GLN n 1 74 ALA n 1 75 GLY n 1 76 VAL n 1 77 LYS n 1 78 VAL n 1 79 MET n 1 80 GLY n 1 81 MET n 1 82 VAL n 1 83 GLY n 1 84 GLY n 1 85 ALA n 1 86 ALA n 1 87 PRO n 1 88 GLY n 1 89 SER n 1 90 PHE n 1 91 ASN n 1 92 THR n 1 93 GLN n 1 94 THR n 1 95 LEU n 1 96 ASP n 1 97 SER n 1 98 PRO n 1 99 ASP n 1 100 SER n 1 101 ALA n 1 102 THR n 1 103 PHE n 1 104 GLU n 1 105 HIS n 1 106 TYR n 1 107 TYR n 1 108 GLY n 1 109 GLN n 1 110 LEU n 1 111 ARG n 1 112 ASP n 1 113 ALA n 1 114 ILE n 1 115 VAL n 1 116 ASN n 1 117 PHE n 1 118 GLN n 1 119 LEU n 1 120 GLU n 1 121 GLY n 1 122 MET n 1 123 ASP n 1 124 LEU n 1 125 ASP n 1 126 VAL n 1 127 GLU n 1 128 GLN n 1 129 PRO n 1 130 MET n 1 131 SER n 1 132 GLN n 1 133 GLN n 1 134 GLY n 1 135 ILE n 1 136 ASP n 1 137 ARG n 1 138 LEU n 1 139 ILE n 1 140 ALA n 1 141 ARG n 1 142 LEU n 1 143 ARG n 1 144 ALA n 1 145 ASP n 1 146 PHE n 1 147 GLY n 1 148 PRO n 1 149 ASP n 1 150 PHE n 1 151 LEU n 1 152 ILE n 1 153 THR n 1 154 LEU n 1 155 ALA n 1 156 PRO n 1 157 VAL n 1 158 ALA n 1 159 SER n 1 160 ALA n 1 161 LEU n 1 162 GLU n 1 163 ASP n 1 164 SER n 1 165 SER n 1 166 ASN n 1 167 LEU n 1 168 SER n 1 169 GLY n 1 170 PHE n 1 171 SER n 1 172 TYR n 1 173 THR n 1 174 ALA n 1 175 LEU n 1 176 GLN n 1 177 GLN n 1 178 THR n 1 179 GLN n 1 180 GLY n 1 181 ASN n 1 182 ASP n 1 183 ILE n 1 184 ASP n 1 185 TRP n 1 186 TYR n 1 187 ASN n 1 188 THR n 1 189 GLN n 1 190 PHE n 1 191 TYR n 1 192 SER n 1 193 GLY n 1 194 PHE n 1 195 GLY n 1 196 SER n 1 197 MET n 1 198 ALA n 1 199 ASP n 1 200 THR n 1 201 SER n 1 202 ASP n 1 203 TYR n 1 204 ASP n 1 205 ARG n 1 206 ILE n 1 207 VAL n 1 208 ALA n 1 209 ASN n 1 210 GLY n 1 211 PHE n 1 212 ALA n 1 213 PRO n 1 214 ALA n 1 215 LYS n 1 216 VAL n 1 217 VAL n 1 218 ALA n 1 219 GLY n 1 220 GLN n 1 221 LEU n 1 222 THR n 1 223 THR n 1 224 PRO n 1 225 GLU n 1 226 GLY n 1 227 ALA n 1 228 GLY n 1 229 TRP n 1 230 ILE n 1 231 PRO n 1 232 THR n 1 233 SER n 1 234 SER n 1 235 LEU n 1 236 ASN n 1 237 ASN n 1 238 THR n 1 239 ILE n 1 240 VAL n 1 241 SER n 1 242 LEU n 1 243 VAL n 1 244 SER n 1 245 GLU n 1 246 TYR n 1 247 GLY n 1 248 GLN n 1 249 ILE n 1 250 GLY n 1 251 GLY n 1 252 VAL n 1 253 MET n 1 254 GLY n 1 255 TRP n 1 256 GLU n 1 257 TYR n 1 258 PHE n 1 259 ASN n 1 260 SER n 1 261 LEU n 1 262 PRO n 1 263 GLY n 1 264 GLY n 1 265 THR n 1 266 ALA n 1 267 GLU n 1 268 PRO n 1 269 TRP n 1 270 GLU n 1 271 TRP n 1 272 ALA n 1 273 GLN n 1 274 ILE n 1 275 VAL n 1 276 THR n 1 277 VAL n 1 278 ILE n 1 279 LEU n 1 280 ARG n 1 281 PRO n 1 282 GLY n 1 283 LEU n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name ? _entity_src_nat.pdbx_organism_scientific 'HYPOCREA JECORINA' _entity_src_nat.pdbx_ncbi_taxonomy_id 51453 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain GICC20000150 _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code C4RA89_HYPJE _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_db_accession C4RA89 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4AC1 _struct_ref_seq.pdbx_strand_id X _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 283 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession C4RA89 _struct_ref_seq.db_align_beg 31 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 313 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 5 _struct_ref_seq.pdbx_auth_seq_align_end 287 # _struct_ref_seq_dif.align_id 1 _struct_ref_seq_dif.pdbx_pdb_id_code 4AC1 _struct_ref_seq_dif.mon_id VAL _struct_ref_seq_dif.pdbx_pdb_strand_id X _struct_ref_seq_dif.seq_num 277 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code C4RA89 _struct_ref_seq_dif.db_mon_id GLU _struct_ref_seq_dif.pdbx_seq_db_seq_num 307 _struct_ref_seq_dif.details conflict _struct_ref_seq_dif.pdbx_auth_seq_num 281 _struct_ref_seq_dif.pdbx_ordinal 1 # 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 ACT non-polymer . 'ACETATE ION' ? 'C2 H3 O2 -1' 59.044 ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 # _exptl.entry_id 4AC1 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 1.97 _exptl_crystal.density_percent_sol 37.73 _exptl_crystal.description NONE # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp ? _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details 'AS DESCRIBED IN PUBLICATION, pH 5' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector ? _diffrn_detector.type ? _diffrn_detector.pdbx_collection_date 2008-04-09 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol MAD _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.03790 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'MAX II BEAMLINE I911-2' _diffrn_source.pdbx_synchrotron_site 'MAX II' _diffrn_source.pdbx_synchrotron_beamline I911-2 _diffrn_source.pdbx_wavelength 1.03790 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4AC1 _reflns.observed_criterion_sigma_I 5.5 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 19.42 _reflns.d_resolution_high 1.30 _reflns.number_obs 63365 _reflns.number_all ? _reflns.percent_possible_obs 99.2 _reflns.pdbx_Rmerge_I_obs 0.07 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 12.30 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 3.9 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.30 _reflns_shell.d_res_low 1.37 _reflns_shell.percent_possible_all 95.6 _reflns_shell.Rmerge_I_obs 0.20 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 5.50 _reflns_shell.pdbx_redundancy 3.6 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 4AC1 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 60140 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F . _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 20.00 _refine.ls_d_res_high 1.30 _refine.ls_percent_reflns_obs 99.48 _refine.ls_R_factor_obs 0.18473 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.18383 _refine.ls_R_factor_R_free 0.20179 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 3206 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.951 _refine.correlation_coeff_Fo_to_Fc_free 0.939 _refine.B_iso_mean 10.531 _refine.aniso_B[1][1] 0.09 _refine.aniso_B[2][2] -0.15 _refine.aniso_B[3][3] 0.06 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.01 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ;HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THERE ARE SOME DISORDERED ZINC ATOMS AND WATERS THAT ARE HARD TO REFINE PROPERLY. ; _refine.pdbx_starting_model NONE _refine.pdbx_method_to_determine_struct MAD _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.057 _refine.pdbx_overall_ESU_R_Free 0.057 _refine.overall_SU_ML 0.035 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 0.791 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2181 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 48 _refine_hist.number_atoms_solvent 434 _refine_hist.number_atoms_total 2663 _refine_hist.d_res_high 1.30 _refine_hist.d_res_low 20.00 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.008 0.022 ? 2322 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.240 1.961 ? 3185 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.157 5.000 ? 300 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 38.787 24.808 ? 104 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 10.892 15.000 ? 344 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 17.739 15.000 ? 9 'X-RAY DIFFRACTION' ? r_chiral_restr 0.084 0.200 ? 358 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.007 0.021 ? 1819 'X-RAY DIFFRACTION' ? 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' ? r_mcbond_it 0.547 1.500 ? 1439 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 0.963 2.000 ? 2328 'X-RAY DIFFRACTION' ? r_mcangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scbond_it 1.420 3.000 ? 883 'X-RAY DIFFRACTION' ? r_scbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_it 2.156 4.500 ? 848 'X-RAY DIFFRACTION' ? r_scangle_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_long_range_B_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.301 _refine_ls_shell.d_res_low 1.334 _refine_ls_shell.number_reflns_R_work 4140 _refine_ls_shell.R_factor_R_work 0.288 _refine_ls_shell.percent_reflns_obs 94.57 _refine_ls_shell.R_factor_R_free 0.299 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 213 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? # _struct.entry_id 4AC1 _struct.title 'The structure of a fungal endo-beta-N-acetylglucosaminidase from glycosyl hydrolase family 18, at 1.3A resolution' _struct.pdbx_descriptor 'ENDO-N-ACETYL-BETA-D-GLUCOSAMINIDASE (E.C.3.2.1.96)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4AC1 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'HYDROLASE, GLYCOSIDE HYDROLASE FAMILY 18, DEGLYCOSYLATION' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 3 ? F N N 3 ? G N N 4 ? H N N 4 ? I N N 4 ? J N N 4 ? K N N 4 ? L N N 4 ? M N N 4 ? N N N 4 ? O N N 5 ? # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 LEU A 23 ? GLU A 28 ? LEU X 27 GLU X 32 1 ? 6 HELX_P HELX_P2 2 ASP A 58 ? HIS A 60 ? ASP X 62 HIS X 64 5 ? 3 HELX_P HELX_P3 3 PHE A 61 ? ALA A 74 ? PHE X 65 ALA X 78 1 ? 14 HELX_P HELX_P4 4 ASP A 99 ? PHE A 117 ? ASP X 103 PHE X 121 1 ? 19 HELX_P HELX_P5 5 SER A 131 ? GLY A 147 ? SER X 135 GLY X 151 1 ? 17 HELX_P HELX_P6 6 ALA A 158 ? GLU A 162 ? ALA X 162 GLU X 166 5 ? 5 HELX_P HELX_P7 7 SER A 171 ? GLY A 180 ? SER X 175 GLY X 184 1 ? 10 HELX_P HELX_P8 8 ASN A 181 ? ILE A 183 ? ASN X 185 ILE X 187 5 ? 3 HELX_P HELX_P9 9 THR A 200 ? ASN A 209 ? THR X 204 ASN X 213 1 ? 10 HELX_P HELX_P10 10 ALA A 212 ? ALA A 214 ? ALA X 216 ALA X 218 5 ? 3 HELX_P HELX_P11 11 PRO A 231 ? GLY A 247 ? PRO X 235 GLY X 251 1 ? 17 HELX_P HELX_P12 12 TRP A 269 ? ARG A 280 ? TRP X 273 ARG X 284 1 ? 12 # _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 covale1 covale ? ? A ASN 66 ND2 ? ? ? 1_555 C NAG . C1 ? ? X ASN 70 X NAG 302 1_555 ? ? ? ? ? ? ? 1.442 ? covale2 covale ? ? A ASN 236 ND2 ? ? ? 1_555 B NAG . C1 ? ? X ASN 240 X NAG 301 1_555 ? ? ? ? ? ? ? 1.441 ? metalc1 metalc ? ? D ACT . OXT ? ? ? 1_555 J ZN . ZN ? ? X ACT 1288 X ZN 1294 1_555 ? ? ? ? ? ? ? 1.914 ? metalc2 metalc ? ? D ACT . OXT ? ? ? 1_555 G ZN . ZN ? ? X ACT 1288 X ZN 1291 1_555 ? ? ? ? ? ? ? 2.080 ? metalc3 metalc ? ? D ACT . O ? ? ? 1_555 J ZN . ZN ? ? X ACT 1288 X ZN 1294 1_555 ? ? ? ? ? ? ? 2.671 ? metalc4 metalc ? ? E ACT . OXT ? ? ? 1_555 M ZN . ZN ? ? X ACT 1289 X ZN 1297 1_555 ? ? ? ? ? ? ? 1.893 ? metalc5 metalc ? ? G ZN . ZN ? ? ? 1_555 A GLU 127 OE2 ? ? X ZN 1291 X GLU 131 1_555 ? ? ? ? ? ? ? 2.051 ? metalc6 metalc ? ? G ZN . ZN ? ? ? 1_555 J ZN . ZN ? ? X ZN 1291 X ZN 1294 1_555 ? ? ? ? ? ? ? 1.754 ? metalc7 metalc ? ? G ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1291 X HOH 2251 1_555 ? ? ? ? ? ? ? 2.247 ? metalc8 metalc ? ? G ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1291 X HOH 2393 1_555 ? ? ? ? ? ? ? 2.173 ? metalc9 metalc ? ? G ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1291 X HOH 2242 1_555 ? ? ? ? ? ? ? 2.138 ? metalc10 metalc ? ? G ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1291 X HOH 2249 1_555 ? ? ? ? ? ? ? 2.697 ? metalc11 metalc ? ? G ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1291 X HOH 2248 1_555 ? ? ? ? ? ? ? 1.888 ? metalc12 metalc ? ? H ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1292 X HOH 2414 1_555 ? ? ? ? ? ? ? 1.964 ? metalc13 metalc ? ? H ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1292 X HOH 2415 1_555 ? ? ? ? ? ? ? 2.100 ? metalc14 metalc ? ? H ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1292 X HOH 2421 1_555 ? ? ? ? ? ? ? 2.105 ? metalc15 metalc ? ? H ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1292 X HOH 2413 1_555 ? ? ? ? ? ? ? 2.247 ? metalc16 metalc ? ? H ZN . ZN ? ? ? 1_555 A GLU 270 OE2 ? ? X ZN 1292 X GLU 274 1_555 ? ? ? ? ? ? ? 2.089 ? metalc17 metalc ? ? H ZN . ZN ? ? ? 1_555 A GLU 267 OE1 ? ? X ZN 1292 X GLU 271 1_555 ? ? ? ? ? ? ? 2.095 ? metalc18 metalc ? ? I ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1293 X HOH 2284 1_555 ? ? ? ? ? ? ? 1.978 ? metalc19 metalc ? ? I ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1293 X HOH 2285 1_555 ? ? ? ? ? ? ? 2.051 ? metalc20 metalc ? ? I ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1293 X HOH 2286 1_555 ? ? ? ? ? ? ? 2.183 ? metalc21 metalc ? ? I ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1293 X HOH 2345 1_555 ? ? ? ? ? ? ? 1.929 ? metalc22 metalc ? ? I ZN . ZN ? ? ? 1_555 A ASN 209 OD1 ? ? X ZN 1293 X ASN 213 1_555 ? ? ? ? ? ? ? 2.078 ? metalc23 metalc ? ? I ZN . ZN ? ? ? 1_555 A ASP 163 OD2 ? ? X ZN 1293 X ASP 167 1_555 ? ? ? ? ? ? ? 2.134 ? metalc24 metalc ? ? J ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1294 X HOH 2250 1_555 ? ? ? ? ? ? ? 2.082 ? metalc25 metalc ? ? J ZN . ZN ? ? ? 1_555 A GLN 189 OE1 ? ? X ZN 1294 X GLN 193 1_555 ? ? ? ? ? ? ? 2.386 ? metalc26 metalc ? ? J ZN . ZN ? ? ? 1_555 A GLU 127 OE2 ? ? X ZN 1294 X GLU 131 1_555 ? ? ? ? ? ? ? 2.516 ? metalc27 metalc ? ? K ZN . ZN ? ? ? 1_555 A ASP 182 OD2 ? ? X ZN 1295 X ASP 186 1_555 ? ? ? ? ? ? ? 1.937 ? metalc28 metalc ? ? K ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1295 X HOH 2301 1_555 ? ? ? ? ? ? ? 2.160 ? metalc29 metalc ? ? K ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1295 X HOH 2305 1_555 ? ? ? ? ? ? ? 2.293 ? metalc30 metalc ? ? K ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1295 X HOH 2303 1_555 ? ? ? ? ? ? ? 2.662 ? metalc31 metalc ? ? K ZN . ZN ? ? ? 1_555 A ASP 182 OD1 ? ? X ZN 1295 X ASP 186 1_555 ? ? ? ? ? ? ? 2.560 ? metalc32 metalc ? ? K ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1295 X HOH 2306 1_555 ? ? ? ? ? ? ? 1.976 ? metalc33 metalc ? ? K ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1295 X HOH 2302 1_555 ? ? ? ? ? ? ? 2.367 ? metalc34 metalc ? ? L ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1296 X HOH 2434 1_555 ? ? ? ? ? ? ? 2.154 ? metalc35 metalc ? ? L ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1296 X HOH 2120 1_555 ? ? ? ? ? ? ? 1.924 ? metalc36 metalc ? ? L ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1296 X HOH 2119 1_555 ? ? ? ? ? ? ? 2.005 ? metalc37 metalc ? ? L ZN . ZN ? ? ? 1_555 A HIS 50 NE2 ? ? X ZN 1296 X HIS 54 1_555 ? ? ? ? ? ? ? 2.068 ? metalc38 metalc ? ? M ZN . ZN ? ? ? 1_555 A ASP 202 OD1 ? ? X ZN 1297 X ASP 206 1_655 ? ? ? ? ? ? ? 2.571 ? metalc39 metalc ? ? M ZN . ZN ? ? ? 1_555 A ASP 202 OD2 ? ? X ZN 1297 X ASP 206 1_655 ? ? ? ? ? ? ? 1.974 ? metalc40 metalc ? ? M ZN . ZN ? ? ? 1_555 A ASP 149 OD2 ? ? X ZN 1297 X ASP 153 1_555 ? ? ? ? ? ? ? 2.281 ? metalc41 metalc ? ? M ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1297 X HOH 2274 1_555 ? ? ? ? ? ? ? 2.194 ? metalc42 metalc ? ? M ZN . ZN ? ? ? 1_555 A ASP 149 OD1 ? ? X ZN 1297 X ASP 153 1_555 ? ? ? ? ? ? ? 2.320 ? metalc43 metalc ? ? N ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1298 X HOH 2434 1_555 ? ? ? ? ? ? ? 2.032 ? metalc44 metalc ? ? N ZN . ZN ? ? ? 1_555 O HOH . O ? ? X ZN 1298 X HOH 2120 1_555 ? ? ? ? ? ? ? 2.170 ? metalc45 metalc ? ? N ZN . ZN ? ? ? 1_555 A HIS 50 NE2 ? ? X ZN 1298 X HIS 54 1_555 ? ? ? ? ? ? ? 2.360 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 LEU 2 A . ? LEU 6 X PRO 3 A ? PRO 7 X 1 3.05 2 CYS 39 A . ? CYS 43 X SER 40 A ? SER 44 X 1 -7.19 3 TRP 255 A . ? TRP 259 X GLU 256 A ? GLU 260 X 1 -7.65 4 LEU 261 A . ? LEU 265 X PRO 262 A ? PRO 266 X 1 4.98 # _struct_sheet.id XA _struct_sheet.type ? _struct_sheet.number_strands 10 _struct_sheet.details ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense XA 1 2 ? parallel XA 2 3 ? parallel XA 3 4 ? parallel XA 4 5 ? parallel XA 5 6 ? parallel XA 6 7 ? parallel XA 7 8 ? 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 XA 1 ARG A 4 ? PHE A 9 ? ARG X 8 PHE X 13 XA 2 GLY A 251 ? TRP A 255 ? GLY X 255 TRP X 259 XA 3 VAL A 216 ? LEU A 221 ? VAL X 220 LEU X 225 XA 4 TRP A 185 ? GLN A 189 ? TRP X 189 GLN X 193 XA 5 LEU A 151 ? LEU A 154 ? LEU X 155 LEU X 158 XA 6 GLY A 121 ? ASP A 125 ? GLY X 125 ASP X 129 XA 7 LYS A 77 ? GLY A 83 ? LYS X 81 GLY X 87 XA 8 HIS A 35 ? HIS A 42 ? HIS X 39 HIS X 46 XA 9 ARG A 4 ? PHE A 9 ? ARG X 8 PHE X 13 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id XA 1 2 N ILE A 6 ? N ILE X 10 O VAL A 252 ? O VAL X 256 XA 2 3 N MET A 253 ? N MET X 257 O ALA A 218 ? O ALA X 222 XA 3 4 N VAL A 217 ? N VAL X 221 O TYR A 186 ? O TYR X 190 XA 4 5 N ASN A 187 ? N ASN X 191 O LEU A 154 ? O LEU X 158 XA 5 6 N THR A 153 ? N THR X 157 O MET A 122 ? O MET X 126 XA 6 7 N ASP A 123 ? N ASP X 127 O GLY A 80 ? O GLY X 84 XA 7 8 N MET A 79 ? N MET X 83 O LEU A 36 ? O LEU X 40 # 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 ? ? ? ? 10 'BINDING SITE FOR RESIDUE ACT X 1288' AC2 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE ACT X 1289' AC3 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE ACT X 1290' AC4 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE ZN X 1291' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE ZN X 1292' AC6 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE ZN X 1293' AC7 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE ZN X 1294' AC8 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE ZN X 1295' AC9 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE ZN X 1296' BC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE ZN X 1297' BC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE ZN X 1298' BC3 Software ? ? ? ? 6 'BINDING SITE FOR MONO-SACCHARIDE NAG X 302 BOUND TO ASN X 70' BC4 Software ? ? ? ? 4 'BINDING SITE FOR MONO-SACCHARIDE NAG X 301 BOUND TO ASN X 240' # 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 10 ASP A 125 ? ASP X 129 . ? 1_555 ? 2 AC1 10 GLU A 127 ? GLU X 131 . ? 1_555 ? 3 AC1 10 GLN A 189 ? GLN X 193 . ? 1_555 ? 4 AC1 10 TYR A 191 ? TYR X 195 . ? 1_555 ? 5 AC1 10 TRP A 255 ? TRP X 259 . ? 1_555 ? 6 AC1 10 ZN G . ? ZN X 1291 . ? 1_555 ? 7 AC1 10 ZN J . ? ZN X 1294 . ? 1_555 ? 8 AC1 10 HOH O . ? HOH X 2242 . ? 1_555 ? 9 AC1 10 HOH O . ? HOH X 2251 . ? 1_555 ? 10 AC1 10 HOH O . ? HOH X 2393 . ? 1_555 ? 11 AC2 9 PRO A 148 ? PRO X 152 . ? 1_555 ? 12 AC2 9 ASP A 149 ? ASP X 153 . ? 1_555 ? 13 AC2 9 ASP A 202 ? ASP X 206 . ? 1_655 ? 14 AC2 9 ARG A 205 ? ARG X 209 . ? 1_655 ? 15 AC2 9 ZN M . ? ZN X 1297 . ? 1_555 ? 16 AC2 9 HOH O . ? HOH X 2274 . ? 1_555 ? 17 AC2 9 HOH O . ? HOH X 2280 . ? 1_655 ? 18 AC2 9 HOH O . ? HOH X 2330 . ? 1_655 ? 19 AC2 9 HOH O . ? HOH X 2433 . ? 1_555 ? 20 AC3 7 ILE A 26 ? ILE X 30 . ? 1_555 ? 21 AC3 7 ALA A 32 ? ALA X 36 . ? 1_555 ? 22 AC3 7 LEU A 33 ? LEU X 37 . ? 1_555 ? 23 AC3 7 ALA A 74 ? ALA X 78 . ? 1_555 ? 24 AC3 7 GLY A 75 ? GLY X 79 . ? 1_555 ? 25 AC3 7 VAL A 76 ? VAL X 80 . ? 1_555 ? 26 AC3 7 HOH O . ? HOH X 2063 . ? 1_555 ? 27 AC4 8 GLU A 127 ? GLU X 131 . ? 1_555 ? 28 AC4 8 ACT D . ? ACT X 1288 . ? 1_555 ? 29 AC4 8 ZN J . ? ZN X 1294 . ? 1_555 ? 30 AC4 8 HOH O . ? HOH X 2242 . ? 1_555 ? 31 AC4 8 HOH O . ? HOH X 2248 . ? 1_555 ? 32 AC4 8 HOH O . ? HOH X 2249 . ? 1_555 ? 33 AC4 8 HOH O . ? HOH X 2251 . ? 1_555 ? 34 AC4 8 HOH O . ? HOH X 2393 . ? 1_555 ? 35 AC5 6 GLU A 267 ? GLU X 271 . ? 1_555 ? 36 AC5 6 GLU A 270 ? GLU X 274 . ? 1_555 ? 37 AC5 6 HOH O . ? HOH X 2413 . ? 1_555 ? 38 AC5 6 HOH O . ? HOH X 2414 . ? 1_555 ? 39 AC5 6 HOH O . ? HOH X 2415 . ? 1_555 ? 40 AC5 6 HOH O . ? HOH X 2421 . ? 1_555 ? 41 AC6 6 ASP A 163 ? ASP X 167 . ? 1_555 ? 42 AC6 6 ASN A 209 ? ASN X 213 . ? 1_555 ? 43 AC6 6 HOH O . ? HOH X 2284 . ? 1_555 ? 44 AC6 6 HOH O . ? HOH X 2285 . ? 1_555 ? 45 AC6 6 HOH O . ? HOH X 2286 . ? 1_555 ? 46 AC6 6 HOH O . ? HOH X 2345 . ? 1_555 ? 47 AC7 7 GLU A 127 ? GLU X 131 . ? 1_555 ? 48 AC7 7 GLN A 189 ? GLN X 193 . ? 1_555 ? 49 AC7 7 ACT D . ? ACT X 1288 . ? 1_555 ? 50 AC7 7 ZN G . ? ZN X 1291 . ? 1_555 ? 51 AC7 7 HOH O . ? HOH X 2250 . ? 1_555 ? 52 AC7 7 HOH O . ? HOH X 2251 . ? 1_555 ? 53 AC7 7 HOH O . ? HOH X 2393 . ? 1_555 ? 54 AC8 6 ASP A 182 ? ASP X 186 . ? 1_555 ? 55 AC8 6 HOH O . ? HOH X 2301 . ? 1_555 ? 56 AC8 6 HOH O . ? HOH X 2302 . ? 1_555 ? 57 AC8 6 HOH O . ? HOH X 2303 . ? 1_555 ? 58 AC8 6 HOH O . ? HOH X 2305 . ? 1_555 ? 59 AC8 6 HOH O . ? HOH X 2306 . ? 1_555 ? 60 AC9 5 HIS A 50 ? HIS X 54 . ? 1_555 ? 61 AC9 5 ZN N . ? ZN X 1298 . ? 1_555 ? 62 AC9 5 HOH O . ? HOH X 2119 . ? 1_555 ? 63 AC9 5 HOH O . ? HOH X 2120 . ? 1_555 ? 64 AC9 5 HOH O . ? HOH X 2434 . ? 1_555 ? 65 BC1 4 ASP A 149 ? ASP X 153 . ? 1_555 ? 66 BC1 4 ASP A 202 ? ASP X 206 . ? 1_655 ? 67 BC1 4 ACT E . ? ACT X 1289 . ? 1_555 ? 68 BC1 4 HOH O . ? HOH X 2274 . ? 1_555 ? 69 BC2 5 HIS A 50 ? HIS X 54 . ? 1_555 ? 70 BC2 5 ZN L . ? ZN X 1296 . ? 1_555 ? 71 BC2 5 HOH O . ? HOH X 2119 . ? 1_555 ? 72 BC2 5 HOH O . ? HOH X 2120 . ? 1_555 ? 73 BC2 5 HOH O . ? HOH X 2434 . ? 1_555 ? 74 BC3 6 TYR A 62 ? TYR X 66 . ? 1_555 ? 75 BC3 6 TRP A 65 ? TRP X 69 . ? 1_555 ? 76 BC3 6 ASN A 66 ? ASN X 70 . ? 1_555 ? 77 BC3 6 HOH O . ? HOH X 2152 . ? 1_555 ? 78 BC3 6 HOH O . ? HOH X 2431 . ? 1_555 ? 79 BC3 6 HOH O . ? HOH X 2432 . ? 1_555 ? 80 BC4 4 ASN A 236 ? ASN X 240 . ? 1_555 ? 81 BC4 4 VAL A 277 ? VAL X 281 . ? 1_555 ? 82 BC4 4 HOH O . ? HOH X 2380 . ? 1_555 ? 83 BC4 4 HOH O . ? HOH X 2423 . ? 1_555 ? # _database_PDB_matrix.entry_id 4AC1 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 4AC1 _atom_sites.fract_transf_matrix[1][1] 0.028218 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.005470 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.015656 _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] 0.017160 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S 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 . ASP A 1 1 ? 12.212 40.249 54.227 1.00 16.29 ? 5 ASP X N 1 ATOM 2 C CA . ASP A 1 1 ? 11.546 41.515 54.634 1.00 15.28 ? 5 ASP X CA 1 ATOM 3 C C . ASP A 1 1 ? 10.048 41.482 54.320 1.00 13.68 ? 5 ASP X C 1 ATOM 4 O O . ASP A 1 1 ? 9.629 41.495 53.155 1.00 13.44 ? 5 ASP X O 1 ATOM 5 C CB . ASP A 1 1 ? 12.197 42.733 53.977 1.00 16.86 ? 5 ASP X CB 1 ATOM 6 C CG . ASP A 1 1 ? 11.433 44.016 54.268 1.00 18.76 ? 5 ASP X CG 1 ATOM 7 O OD1 . ASP A 1 1 ? 11.408 44.462 55.439 1.00 22.46 ? 5 ASP X OD1 1 ATOM 8 O OD2 . ASP A 1 1 ? 10.838 44.565 53.331 1.00 22.40 ? 5 ASP X OD2 1 ATOM 9 N N . LEU A 1 2 ? 9.259 41.443 55.385 1.00 11.23 ? 6 LEU X N 1 ATOM 10 C CA . LEU A 1 2 ? 7.812 41.346 55.299 1.00 9.99 ? 6 LEU X CA 1 ATOM 11 C C . LEU A 1 2 ? 7.226 42.749 55.233 1.00 9.11 ? 6 LEU X C 1 ATOM 12 O O . LEU A 1 2 ? 7.761 43.682 55.858 1.00 10.07 ? 6 LEU X O 1 ATOM 13 C CB . LEU A 1 2 ? 7.272 40.622 56.527 1.00 9.77 ? 6 LEU X CB 1 ATOM 14 C CG . LEU A 1 2 ? 7.792 39.208 56.782 1.00 10.17 ? 6 LEU X CG 1 ATOM 15 C CD1 . LEU A 1 2 ? 7.160 38.658 58.033 1.00 11.29 ? 6 LEU X CD1 1 ATOM 16 C CD2 . LEU A 1 2 ? 7.529 38.276 55.599 1.00 8.62 ? 6 LEU X CD2 1 ATOM 17 N N . PRO A 1 3 ? 6.110 42.922 54.518 1.00 7.84 ? 7 PRO X N 1 ATOM 18 C CA . PRO A 1 3 ? 5.326 41.906 53.823 1.00 6.91 ? 7 PRO X CA 1 ATOM 19 C C . PRO A 1 3 ? 5.838 41.613 52.414 1.00 5.95 ? 7 PRO X C 1 ATOM 20 O O . PRO A 1 3 ? 6.325 42.505 51.715 1.00 5.82 ? 7 PRO X O 1 ATOM 21 C CB . PRO A 1 3 ? 3.941 42.556 53.740 1.00 7.01 ? 7 PRO X CB 1 ATOM 22 C CG . PRO A 1 3 ? 4.239 44.005 53.603 1.00 8.39 ? 7 PRO X CG 1 ATOM 23 C CD . PRO A 1 3 ? 5.431 44.234 54.498 1.00 8.34 ? 7 PRO X CD 1 ATOM 24 N N . ARG A 1 4 ? 5.709 40.361 51.999 1.00 4.91 ? 8 ARG X N 1 ATOM 25 C CA . ARG A 1 4 ? 6.038 39.971 50.627 1.00 4.68 ? 8 ARG X CA 1 ATOM 26 C C . ARG A 1 4 ? 4.933 40.431 49.685 1.00 4.00 ? 8 ARG X C 1 ATOM 27 O O . ARG A 1 4 ? 3.752 40.492 50.075 1.00 4.77 ? 8 ARG X O 1 ATOM 28 C CB . ARG A 1 4 ? 6.199 38.457 50.523 1.00 3.94 ? 8 ARG X CB 1 ATOM 29 C CG . ARG A 1 4 ? 7.186 37.882 51.534 1.00 4.30 ? 8 ARG X CG 1 ATOM 30 C CD . ARG A 1 4 ? 7.251 36.376 51.417 1.00 4.91 ? 8 ARG X CD 1 ATOM 31 N NE . ARG A 1 4 ? 7.996 35.730 52.501 1.00 5.65 ? 8 ARG X NE 1 ATOM 32 C CZ . ARG A 1 4 ? 7.463 35.325 53.653 1.00 4.83 ? 8 ARG X CZ 1 ATOM 33 N NH1 . ARG A 1 4 ? 6.188 35.542 53.916 1.00 6.92 ? 8 ARG X NH1 1 ATOM 34 N NH2 . ARG A 1 4 ? 8.209 34.695 54.555 1.00 7.33 ? 8 ARG X NH2 1 ATOM 35 N N . LEU A 1 5 ? 5.318 40.785 48.460 1.00 4.32 ? 9 LEU X N 1 ATOM 36 C CA . LEU A 1 5 ? 4.366 41.008 47.385 1.00 4.65 ? 9 LEU X CA 1 ATOM 37 C C . LEU A 1 5 ? 4.784 40.114 46.244 1.00 4.32 ? 9 LEU X C 1 ATOM 38 O O . LEU A 1 5 ? 5.857 40.300 45.654 1.00 4.24 ? 9 LEU X O 1 ATOM 39 C CB . LEU A 1 5 ? 4.330 42.472 46.930 1.00 5.29 ? 9 LEU X CB 1 ATOM 40 C CG . LEU A 1 5 ? 3.398 42.775 45.745 1.00 6.86 ? 9 LEU X CG 1 ATOM 41 C CD1 . LEU A 1 5 ? 1.939 42.364 46.034 1.00 8.17 ? 9 LEU X CD1 1 ATOM 42 C CD2 . LEU A 1 5 ? 3.473 44.240 45.331 1.00 8.51 ? 9 LEU X CD2 1 ATOM 43 N N . ILE A 1 6 ? 3.937 39.138 45.946 1.00 4.59 ? 10 ILE X N 1 ATOM 44 C CA . ILE A 1 6 ? 4.275 38.035 45.066 1.00 4.47 ? 10 ILE X CA 1 ATOM 45 C C . ILE A 1 6 ? 3.306 38.028 43.903 1.00 4.26 ? 10 ILE X C 1 ATOM 46 O O . ILE A 1 6 ? 2.103 38.139 44.107 1.00 4.91 ? 10 ILE X O 1 ATOM 47 C CB . ILE A 1 6 ? 4.121 36.713 45.832 1.00 4.26 ? 10 ILE X CB 1 ATOM 48 C CG1 . ILE A 1 6 ? 5.094 36.668 47.020 1.00 4.27 ? 10 ILE X CG1 1 ATOM 49 C CG2 . ILE A 1 6 ? 4.300 35.496 44.909 1.00 4.98 ? 10 ILE X CG2 1 ATOM 50 C CD1 . ILE A 1 6 ? 4.512 36.053 48.266 1.00 5.83 ? 10 ILE X CD1 1 ATOM 51 N N . VAL A 1 7 ? 3.820 37.923 42.687 1.00 3.91 ? 11 VAL X N 1 ATOM 52 C CA . VAL A 1 7 ? 2.982 37.867 41.484 1.00 4.41 ? 11 VAL X CA 1 ATOM 53 C C . VAL A 1 7 ? 3.297 36.591 40.708 1.00 4.04 ? 11 VAL X C 1 ATOM 54 O O . VAL A 1 7 ? 4.471 36.321 40.378 1.00 4.96 ? 11 VAL X O 1 ATOM 55 C CB . VAL A 1 7 ? 3.221 39.084 40.572 1.00 4.68 ? 11 VAL X CB 1 ATOM 56 C CG1 . VAL A 1 7 ? 2.567 38.877 39.187 1.00 5.98 ? 11 VAL X CG1 1 ATOM 57 C CG2 . VAL A 1 7 ? 2.716 40.354 41.242 1.00 5.72 ? 11 VAL X CG2 1 ATOM 58 N N . TYR A 1 8 ? 2.260 35.795 40.450 1.00 4.12 ? 12 TYR X N 1 ATOM 59 C CA . TYR A 1 8 ? 2.358 34.652 39.554 1.00 4.74 ? 12 TYR X CA 1 ATOM 60 C C . TYR A 1 8 ? 2.249 35.103 38.104 1.00 4.55 ? 12 TYR X C 1 ATOM 61 O O . TYR A 1 8 ? 1.373 35.913 37.754 1.00 4.60 ? 12 TYR X O 1 ATOM 62 C CB . TYR A 1 8 ? 1.247 33.652 39.840 1.00 4.61 ? 12 TYR X CB 1 ATOM 63 C CG . TYR A 1 8 ? 1.417 32.804 41.091 1.00 4.08 ? 12 TYR X CG 1 ATOM 64 C CD1 . TYR A 1 8 ? 0.940 33.222 42.336 1.00 4.87 ? 12 TYR X CD1 1 ATOM 65 C CD2 . TYR A 1 8 ? 2.049 31.561 41.020 1.00 4.15 ? 12 TYR X CD2 1 ATOM 66 C CE1 . TYR A 1 8 ? 1.106 32.428 43.473 1.00 5.53 ? 12 TYR X CE1 1 ATOM 67 C CE2 . TYR A 1 8 ? 2.206 30.757 42.146 1.00 4.27 ? 12 TYR X CE2 1 ATOM 68 C CZ . TYR A 1 8 ? 1.730 31.200 43.366 1.00 5.21 ? 12 TYR X CZ 1 ATOM 69 O OH . TYR A 1 8 ? 1.867 30.415 44.492 1.00 5.09 ? 12 TYR X OH 1 ATOM 70 N N . PHE A 1 9 ? 3.142 34.565 37.272 1.00 4.70 ? 13 PHE X N 1 ATOM 71 C CA . PHE A 1 9 ? 3.283 34.949 35.870 1.00 5.27 ? 13 PHE X CA 1 ATOM 72 C C . PHE A 1 9 ? 3.158 33.667 35.041 1.00 5.60 ? 13 PHE X C 1 ATOM 73 O O . PHE A 1 9 ? 4.158 32.971 34.806 1.00 5.42 ? 13 PHE X O 1 ATOM 74 C CB . PHE A 1 9 ? 4.658 35.616 35.693 1.00 5.67 ? 13 PHE X CB 1 ATOM 75 C CG . PHE A 1 9 ? 4.895 36.234 34.333 1.00 6.00 ? 13 PHE X CG 1 ATOM 76 C CD1 . PHE A 1 9 ? 4.402 37.498 34.020 1.00 7.76 ? 13 PHE X CD1 1 ATOM 77 C CD2 . PHE A 1 9 ? 5.659 35.564 33.384 1.00 7.72 ? 13 PHE X CD2 1 ATOM 78 C CE1 . PHE A 1 9 ? 4.641 38.064 32.758 1.00 9.04 ? 13 PHE X CE1 1 ATOM 79 C CE2 . PHE A 1 9 ? 5.905 36.116 32.131 1.00 6.75 ? 13 PHE X CE2 1 ATOM 80 C CZ . PHE A 1 9 ? 5.396 37.370 31.818 1.00 6.41 ? 13 PHE X CZ 1 ATOM 81 N N . GLN A 1 10 ? 1.918 33.311 34.681 1.00 6.17 ? 14 GLN X N 1 ATOM 82 C CA . GLN A 1 10 ? 1.632 32.087 33.910 1.00 7.01 ? 14 GLN X CA 1 ATOM 83 C C . GLN A 1 10 ? 1.424 32.379 32.429 1.00 7.59 ? 14 GLN X C 1 ATOM 84 O O . GLN A 1 10 ? 1.991 31.702 31.565 1.00 8.49 ? 14 GLN X O 1 ATOM 85 C CB . GLN A 1 10 ? 0.426 31.315 34.448 1.00 6.92 ? 14 GLN X CB 1 ATOM 86 C CG . GLN A 1 10 ? 0.350 29.925 33.827 1.00 8.61 ? 14 GLN X CG 1 ATOM 87 C CD . GLN A 1 10 ? -0.903 29.173 34.177 1.00 9.52 ? 14 GLN X CD 1 ATOM 88 O OE1 . GLN A 1 10 ? -1.991 29.490 33.694 1.00 9.30 ? 14 GLN X OE1 1 ATOM 89 N NE2 . GLN A 1 10 ? -0.761 28.158 34.999 1.00 7.96 ? 14 GLN X NE2 1 ATOM 90 N N . THR A 1 11 ? 0.594 33.382 32.150 1.00 7.44 ? 15 THR X N 1 ATOM 91 C CA . THR A 1 11 ? 0.334 33.837 30.787 1.00 8.13 ? 15 THR X CA 1 ATOM 92 C C . THR A 1 11 ? 1.497 34.729 30.389 1.00 8.23 ? 15 THR X C 1 ATOM 93 O O . THR A 1 11 ? 1.680 35.823 30.947 1.00 8.64 ? 15 THR X O 1 ATOM 94 C CB . THR A 1 11 ? -0.996 34.589 30.698 1.00 8.24 ? 15 THR X CB 1 ATOM 95 O OG1 . THR A 1 11 ? -2.043 33.723 31.134 1.00 9.12 ? 15 THR X OG1 1 ATOM 96 C CG2 . THR A 1 11 ? -1.298 35.026 29.259 1.00 8.58 ? 15 THR X CG2 1 ATOM 97 N N . THR A 1 12 ? 2.276 34.247 29.420 1.00 8.54 ? 16 THR X N 1 ATOM 98 C CA . THR A 1 12 ? 3.574 34.823 29.078 1.00 9.23 ? 16 THR X CA 1 ATOM 99 C C . THR A 1 12 ? 3.561 35.562 27.742 1.00 9.34 ? 16 THR X C 1 ATOM 100 O O . THR A 1 12 ? 4.480 36.323 27.439 1.00 9.23 ? 16 THR X O 1 ATOM 101 C CB . THR A 1 12 ? 4.668 33.723 29.011 1.00 9.68 ? 16 THR X CB 1 ATOM 102 O OG1 . THR A 1 12 ? 4.281 32.743 28.035 1.00 9.93 ? 16 THR X OG1 1 ATOM 103 C CG2 . THR A 1 12 ? 4.859 33.043 30.376 1.00 10.54 ? 16 THR X CG2 1 ATOM 104 N N . HIS A 1 13 ? 2.513 35.308 26.958 1.00 10.05 ? 17 HIS X N 1 ATOM 105 C CA . HIS A 1 13 ? 2.352 35.866 25.614 1.00 11.35 ? 17 HIS X CA 1 ATOM 106 C C . HIS A 1 13 ? 0.913 36.317 25.448 1.00 12.30 ? 17 HIS X C 1 ATOM 107 O O . HIS A 1 13 ? 0.000 35.724 26.019 1.00 12.25 ? 17 HIS X O 1 ATOM 108 C CB . HIS A 1 13 ? 2.677 34.811 24.544 1.00 10.96 ? 17 HIS X CB 1 ATOM 109 C CG . HIS A 1 13 ? 4.122 34.423 24.496 1.00 10.37 ? 17 HIS X CG 1 ATOM 110 N ND1 . HIS A 1 13 ? 4.749 33.767 25.533 1.00 8.54 ? 17 HIS X ND1 1 ATOM 111 C CD2 . HIS A 1 13 ? 5.060 34.585 23.532 1.00 11.56 ? 17 HIS X CD2 1 ATOM 112 C CE1 . HIS A 1 13 ? 6.015 33.555 25.216 1.00 11.33 ? 17 HIS X CE1 1 ATOM 113 N NE2 . HIS A 1 13 ? 6.230 34.046 24.008 1.00 11.46 ? 17 HIS X NE2 1 ATOM 114 N N . ASP A 1 14 ? 0.718 37.364 24.653 1.00 14.13 ? 18 ASP X N 1 ATOM 115 C CA . ASP A 1 14 ? -0.619 37.915 24.443 1.00 16.17 ? 18 ASP X CA 1 ATOM 116 C C . ASP A 1 14 ? -1.359 37.182 23.323 1.00 17.60 ? 18 ASP X C 1 ATOM 117 O O . ASP A 1 14 ? -0.829 36.223 22.748 1.00 18.13 ? 18 ASP X O 1 ATOM 118 C CB . ASP A 1 14 ? -0.549 39.428 24.193 1.00 16.25 ? 18 ASP X CB 1 ATOM 119 C CG . ASP A 1 14 ? 0.130 39.785 22.878 1.00 16.28 ? 18 ASP X CG 1 ATOM 120 O OD1 . ASP A 1 14 ? 0.231 38.919 21.985 1.00 17.33 ? 18 ASP X OD1 1 ATOM 121 O OD2 . ASP A 1 14 ? 0.558 40.952 22.732 1.00 16.10 ? 18 ASP X OD2 1 ATOM 122 N N . SER A 1 15 ? -2.575 37.637 23.016 1.00 19.01 ? 19 SER X N 1 ATOM 123 C CA . SER A 1 15 ? -3.426 36.997 22.004 1.00 19.93 ? 19 SER X CA 1 ATOM 124 C C . SER A 1 15 ? -2.804 36.952 20.603 1.00 19.96 ? 19 SER X C 1 ATOM 125 O O . SER A 1 15 ? -3.221 36.143 19.760 1.00 20.54 ? 19 SER X O 1 ATOM 126 C CB . SER A 1 15 ? -4.794 37.675 21.948 1.00 20.23 ? 19 SER X CB 1 ATOM 127 O OG . SER A 1 15 ? -4.693 38.953 21.350 1.00 22.19 ? 19 SER X OG 1 ATOM 128 N N . SER A 1 16 ? -1.819 37.819 20.360 1.00 19.69 ? 20 SER X N 1 ATOM 129 C CA . SER A 1 16 ? -1.081 37.848 19.094 1.00 19.43 ? 20 SER X CA 1 ATOM 130 C C . SER A 1 16 ? 0.230 37.065 19.178 1.00 18.88 ? 20 SER X C 1 ATOM 131 O O . SER A 1 16 ? 1.094 37.188 18.304 1.00 18.75 ? 20 SER X O 1 ATOM 132 C CB . SER A 1 16 ? -0.798 39.290 18.655 1.00 19.58 ? 20 SER X CB 1 ATOM 133 O OG . SER A 1 16 ? -1.987 40.059 18.578 1.00 21.37 ? 20 SER X OG 1 ATOM 134 N N . ASN A 1 17 ? 0.372 36.271 20.240 1.00 17.74 ? 21 ASN X N 1 ATOM 135 C CA . ASN A 1 17 ? 1.582 35.485 20.505 1.00 17.16 ? 21 ASN X CA 1 ATOM 136 C C . ASN A 1 17 ? 2.854 36.332 20.699 1.00 16.34 ? 21 ASN X C 1 ATOM 137 O O . ASN A 1 17 ? 3.962 35.870 20.443 1.00 16.63 ? 21 ASN X O 1 ATOM 138 C CB . ASN A 1 17 ? 1.785 34.399 19.429 1.00 17.23 ? 21 ASN X CB 1 ATOM 139 C CG . ASN A 1 17 ? 2.650 33.250 19.910 1.00 17.11 ? 21 ASN X CG 1 ATOM 140 O OD1 . ASN A 1 17 ? 2.580 32.842 21.073 1.00 17.69 ? 21 ASN X OD1 1 ATOM 141 N ND2 . ASN A 1 17 ? 3.470 32.714 19.013 1.00 16.88 ? 21 ASN X ND2 1 ATOM 142 N N . ARG A 1 18 ? 2.693 37.569 21.165 1.00 15.69 ? 22 ARG X N 1 ATOM 143 C CA . ARG A 1 18 ? 3.838 38.421 21.490 1.00 14.91 ? 22 ARG X CA 1 ATOM 144 C C . ARG A 1 18 ? 4.152 38.320 22.983 1.00 13.16 ? 22 ARG X C 1 ATOM 145 O O . ARG A 1 18 ? 3.229 38.295 23.793 1.00 13.32 ? 22 ARG X O 1 ATOM 146 C CB . ARG A 1 18 ? 3.544 39.880 21.152 1.00 15.40 ? 22 ARG X CB 1 ATOM 147 C CG . ARG A 1 18 ? 3.374 40.191 19.675 1.00 17.70 ? 22 ARG X CG 1 ATOM 148 C CD . ARG A 1 18 ? 2.797 41.595 19.507 1.00 20.94 ? 22 ARG X CD 1 ATOM 149 N NE . ARG A 1 18 ? 1.398 41.659 19.930 1.00 24.21 ? 22 ARG X NE 1 ATOM 150 C CZ . ARG A 1 18 ? 0.752 42.770 20.279 1.00 25.58 ? 22 ARG X CZ 1 ATOM 151 N NH1 . ARG A 1 18 ? 1.371 43.947 20.281 1.00 26.78 ? 22 ARG X NH1 1 ATOM 152 N NH2 . ARG A 1 18 ? -0.524 42.698 20.640 1.00 27.44 ? 22 ARG X NH2 1 ATOM 153 N N . PRO A 1 19 ? 5.450 38.269 23.355 1.00 12.04 ? 23 PRO X N 1 ATOM 154 C CA . PRO A 1 19 ? 5.781 38.220 24.781 1.00 10.77 ? 23 PRO X CA 1 ATOM 155 C C . PRO A 1 19 ? 5.163 39.363 25.561 1.00 9.30 ? 23 PRO X C 1 ATOM 156 O O . PRO A 1 19 ? 5.129 40.496 25.091 1.00 9.27 ? 23 PRO X O 1 ATOM 157 C CB . PRO A 1 19 ? 7.312 38.333 24.806 1.00 10.47 ? 23 PRO X CB 1 ATOM 158 C CG . PRO A 1 19 ? 7.749 37.782 23.490 1.00 12.00 ? 23 PRO X CG 1 ATOM 159 C CD . PRO A 1 19 ? 6.652 38.154 22.513 1.00 12.14 ? 23 PRO X CD 1 ATOM 160 N N . ILE A 1 20 ? 4.665 39.035 26.748 1.00 8.12 ? 24 ILE X N 1 ATOM 161 C CA . ILE A 1 20 ? 4.215 40.018 27.726 1.00 7.83 ? 24 ILE X CA 1 ATOM 162 C C . ILE A 1 20 ? 5.404 40.319 28.627 1.00 7.48 ? 24 ILE X C 1 ATOM 163 O O . ILE A 1 20 ? 5.963 39.410 29.241 1.00 7.66 ? 24 ILE X O 1 ATOM 164 C CB . ILE A 1 20 ? 3.020 39.466 28.534 1.00 7.80 ? 24 ILE X CB 1 ATOM 165 C CG1 . ILE A 1 20 ? 1.807 39.311 27.607 1.00 9.21 ? 24 ILE X CG1 1 ATOM 166 C CG2 . ILE A 1 20 ? 2.669 40.393 29.711 1.00 7.66 ? 24 ILE X CG2 1 ATOM 167 C CD1 . ILE A 1 20 ? 0.723 38.425 28.147 1.00 11.55 ? 24 ILE X CD1 1 ATOM 168 N N . SER A 1 21 ? 5.822 41.577 28.678 1.00 6.83 ? 25 SER X N 1 ATOM 169 C CA . SER A 1 21 ? 6.947 41.947 29.507 1.00 6.94 ? 25 SER X CA 1 ATOM 170 C C . SER A 1 21 ? 6.565 41.906 30.981 1.00 6.69 ? 25 SER X C 1 ATOM 171 O O . SER A 1 21 ? 5.482 42.378 31.363 1.00 6.56 ? 25 SER X O 1 ATOM 172 C CB . SER A 1 21 ? 7.432 43.352 29.157 1.00 7.11 ? 25 SER X CB 1 ATOM 173 O OG . SER A 1 21 ? 8.585 43.662 29.913 1.00 7.18 ? 25 SER X OG 1 ATOM 174 N N . MET A 1 22 ? 7.472 41.363 31.800 1.00 6.25 ? 26 MET X N 1 ATOM 175 C CA . MET A 1 22 ? 7.335 41.425 33.248 1.00 6.32 ? 26 MET X CA 1 ATOM 176 C C . MET A 1 22 ? 7.937 42.698 33.830 1.00 6.05 ? 26 MET X C 1 ATOM 177 O O . MET A 1 22 ? 7.723 42.994 35.008 1.00 6.79 ? 26 MET X O 1 ATOM 178 C CB . MET A 1 22 ? 7.946 40.201 33.927 1.00 6.88 ? 26 MET X CB 1 ATOM 179 C CG . MET A 1 22 ? 9.448 40.044 33.703 1.00 5.89 ? 26 MET X CG 1 ATOM 180 S SD . MET A 1 22 ? 10.144 38.541 34.428 1.00 9.18 ? 26 MET X SD 1 ATOM 181 C CE . MET A 1 22 ? 9.502 37.255 33.342 1.00 7.99 ? 26 MET X CE 1 ATOM 182 N N . LEU A 1 23 ? 8.660 43.460 33.011 1.00 6.26 ? 27 LEU X N 1 ATOM 183 C CA . LEU A 1 23 ? 9.450 44.585 33.513 1.00 6.42 ? 27 LEU X CA 1 ATOM 184 C C . LEU A 1 23 ? 8.676 45.793 34.062 1.00 6.61 ? 27 LEU X C 1 ATOM 185 O O . LEU A 1 23 ? 9.219 46.503 34.912 1.00 7.01 ? 27 LEU X O 1 ATOM 186 C CB . LEU A 1 23 ? 10.518 45.037 32.501 1.00 6.50 ? 27 LEU X CB 1 ATOM 187 C CG . LEU A 1 23 ? 11.490 43.931 32.062 1.00 6.97 ? 27 LEU X CG 1 ATOM 188 C CD1 . LEU A 1 23 ? 12.374 44.448 30.952 1.00 7.93 ? 27 LEU X CD1 1 ATOM 189 C CD2 . LEU A 1 23 ? 12.316 43.401 33.225 1.00 7.09 ? 27 LEU X CD2 1 ATOM 190 N N . PRO A 1 24 ? 7.417 46.027 33.612 1.00 6.29 ? 28 PRO X N 1 ATOM 191 C CA . PRO A 1 24 ? 6.699 47.148 34.235 1.00 6.91 ? 28 PRO X CA 1 ATOM 192 C C . PRO A 1 24 ? 6.571 47.010 35.749 1.00 7.42 ? 28 PRO X C 1 ATOM 193 O O . PRO A 1 24 ? 6.442 48.004 36.446 1.00 7.02 ? 28 PRO X O 1 ATOM 194 C CB . PRO A 1 24 ? 5.328 47.088 33.568 1.00 6.77 ? 28 PRO X CB 1 ATOM 195 C CG . PRO A 1 24 ? 5.636 46.560 32.193 1.00 6.59 ? 28 PRO X CG 1 ATOM 196 C CD . PRO A 1 24 ? 6.666 45.482 32.458 1.00 6.39 ? 28 PRO X CD 1 ATOM 197 N N . LEU A 1 25 ? 6.646 45.782 36.256 1.00 6.95 ? 29 LEU X N 1 ATOM 198 C CA . LEU A 1 25 ? 6.587 45.542 37.692 1.00 7.40 ? 29 LEU X CA 1 ATOM 199 C C . LEU A 1 25 ? 7.756 46.144 38.460 1.00 7.38 ? 29 LEU X C 1 ATOM 200 O O . LEU A 1 25 ? 7.656 46.343 39.679 1.00 7.28 ? 29 LEU X O 1 ATOM 201 C CB . LEU A 1 25 ? 6.496 44.040 37.981 1.00 6.75 ? 29 LEU X CB 1 ATOM 202 C CG . LEU A 1 25 ? 5.146 43.419 37.642 1.00 6.84 ? 29 LEU X CG 1 ATOM 203 C CD1 . LEU A 1 25 ? 5.259 41.913 37.627 1.00 7.66 ? 29 LEU X CD1 1 ATOM 204 C CD2 . LEU A 1 25 ? 4.066 43.879 38.635 1.00 7.05 ? 29 LEU X CD2 1 ATOM 205 N N . ILE A 1 26 ? 8.857 46.437 37.760 1.00 7.95 ? 30 ILE X N 1 ATOM 206 C CA . ILE A 1 26 ? 9.995 47.120 38.389 1.00 8.76 ? 30 ILE X CA 1 ATOM 207 C C . ILE A 1 26 ? 10.247 48.523 37.858 1.00 9.64 ? 30 ILE X C 1 ATOM 208 O O . ILE A 1 26 ? 11.008 49.274 38.469 1.00 11.07 ? 30 ILE X O 1 ATOM 209 C CB . ILE A 1 26 ? 11.334 46.299 38.336 1.00 9.05 ? 30 ILE X CB 1 ATOM 210 C CG1 . ILE A 1 26 ? 11.752 46.010 36.887 1.00 9.07 ? 30 ILE X CG1 1 ATOM 211 C CG2 . ILE A 1 26 ? 11.221 45.033 39.189 1.00 8.83 ? 30 ILE X CG2 1 ATOM 212 C CD1 . ILE A 1 26 ? 13.207 45.593 36.707 1.00 9.72 ? 30 ILE X CD1 1 ATOM 213 N N . THR A 1 27 ? 9.638 48.883 36.734 1.00 9.36 ? 31 THR X N 1 ATOM 214 C CA A THR A 1 27 ? 9.896 50.197 36.132 0.50 9.37 ? 31 THR X CA 1 ATOM 215 C CA B THR A 1 27 ? 9.903 50.181 36.128 0.50 9.88 ? 31 THR X CA 1 ATOM 216 C C . THR A 1 27 ? 8.812 51.214 36.452 1.00 9.58 ? 31 THR X C 1 ATOM 217 O O . THR A 1 27 ? 9.101 52.403 36.595 1.00 10.09 ? 31 THR X O 1 ATOM 218 C CB A THR A 1 27 ? 10.093 50.134 34.606 0.50 9.28 ? 31 THR X CB 1 ATOM 219 C CB B THR A 1 27 ? 10.158 50.054 34.608 0.50 9.85 ? 31 THR X CB 1 ATOM 220 O OG1 A THR A 1 27 ? 8.907 49.617 33.990 0.50 8.05 ? 31 THR X OG1 1 ATOM 221 O OG1 B THR A 1 27 ? 10.851 48.827 34.331 0.50 11.00 ? 31 THR X OG1 1 ATOM 222 C CG2 A THR A 1 27 ? 11.314 49.278 34.241 0.50 9.09 ? 31 THR X CG2 1 ATOM 223 C CG2 B THR A 1 27 ? 11.018 51.199 34.129 0.50 10.37 ? 31 THR X CG2 1 ATOM 224 N N . GLU A 1 28 ? 7.567 50.765 36.583 1.00 9.10 ? 32 GLU X N 1 ATOM 225 C CA . GLU A 1 28 ? 6.478 51.683 36.949 1.00 9.37 ? 32 GLU X CA 1 ATOM 226 C C . GLU A 1 28 ? 6.589 52.092 38.417 1.00 9.69 ? 32 GLU X C 1 ATOM 227 O O . GLU A 1 28 ? 7.068 51.324 39.246 1.00 9.54 ? 32 GLU X O 1 ATOM 228 C CB . GLU A 1 28 ? 5.111 51.073 36.638 1.00 8.92 ? 32 GLU X CB 1 ATOM 229 C CG . GLU A 1 28 ? 4.872 50.755 35.166 1.00 10.60 ? 32 GLU X CG 1 ATOM 230 C CD . GLU A 1 28 ? 4.628 51.986 34.316 1.00 12.86 ? 32 GLU X CD 1 ATOM 231 O OE1 . GLU A 1 28 ? 4.108 52.990 34.845 1.00 13.34 ? 32 GLU X OE1 1 ATOM 232 O OE2 . GLU A 1 28 ? 4.953 51.940 33.113 1.00 15.10 ? 32 GLU X OE2 1 ATOM 233 N N . LYS A 1 29 ? 6.159 53.306 38.743 1.00 10.32 ? 33 LYS X N 1 ATOM 234 C CA . LYS A 1 29 ? 6.425 53.846 40.074 1.00 10.59 ? 33 LYS X CA 1 ATOM 235 C C . LYS A 1 29 ? 5.552 53.215 41.154 1.00 10.09 ? 33 LYS X C 1 ATOM 236 O O . LYS A 1 29 ? 4.431 52.774 40.886 1.00 10.17 ? 33 LYS X O 1 ATOM 237 C CB . LYS A 1 29 ? 6.296 55.376 40.106 0.50 11.05 ? 33 LYS X CB 1 ATOM 238 C CG . LYS A 1 29 ? 5.113 55.936 39.352 0.50 13.70 ? 33 LYS X CG 1 ATOM 239 C CD . LYS A 1 29 ? 5.507 56.301 37.929 0.50 16.88 ? 33 LYS X CD 1 ATOM 240 C CE . LYS A 1 29 ? 4.329 56.176 36.983 0.50 18.93 ? 33 LYS X CE 1 ATOM 241 N NZ . LYS A 1 29 ? 3.834 54.770 36.934 1.00 21.20 ? 33 LYS X NZ 1 ATOM 242 N N . GLY A 1 30 ? 6.096 53.153 42.364 1.00 9.86 ? 34 GLY X N 1 ATOM 243 C CA . GLY A 1 30 ? 5.332 52.749 43.541 1.00 9.00 ? 34 GLY X CA 1 ATOM 244 C C . GLY A 1 30 ? 5.032 51.266 43.677 1.00 8.76 ? 34 GLY X C 1 ATOM 245 O O . GLY A 1 30 ? 3.970 50.905 44.173 1.00 9.34 ? 34 GLY X O 1 ATOM 246 N N . ILE A 1 31 ? 5.954 50.410 43.236 1.00 7.92 ? 35 ILE X N 1 ATOM 247 C CA . ILE A 1 31 ? 5.756 48.961 43.331 1.00 7.43 ? 35 ILE X CA 1 ATOM 248 C C . ILE A 1 31 ? 6.876 48.366 44.166 1.00 6.92 ? 35 ILE X C 1 ATOM 249 O O . ILE A 1 31 ? 8.061 48.650 43.926 1.00 7.69 ? 35 ILE X O 1 ATOM 250 C CB . ILE A 1 31 ? 5.725 48.292 41.939 1.00 6.79 ? 35 ILE X CB 1 ATOM 251 C CG1 . ILE A 1 31 ? 4.645 48.933 41.053 1.00 7.36 ? 35 ILE X CG1 1 ATOM 252 C CG2 . ILE A 1 31 ? 5.482 46.786 42.076 1.00 7.06 ? 35 ILE X CG2 1 ATOM 253 C CD1 . ILE A 1 31 ? 4.604 48.391 39.653 1.00 7.97 ? 35 ILE X CD1 1 ATOM 254 N N . ALA A 1 32 ? 6.508 47.564 45.162 1.00 6.38 ? 36 ALA X N 1 ATOM 255 C CA . ALA A 1 32 ? 7.505 46.880 45.978 1.00 5.99 ? 36 ALA X CA 1 ATOM 256 C C . ALA A 1 32 ? 7.359 45.380 45.782 1.00 5.66 ? 36 ALA X C 1 ATOM 257 O O . ALA A 1 32 ? 7.001 44.647 46.710 1.00 5.85 ? 36 ALA X O 1 ATOM 258 C CB . ALA A 1 32 ? 7.373 47.272 47.459 1.00 6.85 ? 36 ALA X CB 1 ATOM 259 N N . LEU A 1 33 ? 7.598 44.930 44.552 1.00 5.59 ? 37 LEU X N 1 ATOM 260 C CA . LEU A 1 33 ? 7.508 43.513 44.247 1.00 5.15 ? 37 LEU X CA 1 ATOM 261 C C . LEU A 1 33 ? 8.666 42.777 44.897 1.00 5.28 ? 37 LEU X C 1 ATOM 262 O O . LEU A 1 33 ? 9.807 43.187 44.724 1.00 5.89 ? 37 LEU X O 1 ATOM 263 C CB . LEU A 1 33 ? 7.579 43.297 42.739 1.00 5.37 ? 37 LEU X CB 1 ATOM 264 C CG . LEU A 1 33 ? 7.380 41.857 42.270 1.00 5.43 ? 37 LEU X CG 1 ATOM 265 C CD1 . LEU A 1 33 ? 5.930 41.445 42.451 1.00 6.50 ? 37 LEU X CD1 1 ATOM 266 C CD2 . LEU A 1 33 ? 7.784 41.712 40.825 1.00 6.38 ? 37 LEU X CD2 1 ATOM 267 N N . THR A 1 34 ? 8.394 41.730 45.672 1.00 4.78 ? 38 THR X N 1 ATOM 268 C CA . THR A 1 34 ? 9.483 40.957 46.267 1.00 4.93 ? 38 THR X CA 1 ATOM 269 C C . THR A 1 34 ? 9.766 39.652 45.523 1.00 4.64 ? 38 THR X C 1 ATOM 270 O O . THR A 1 34 ? 10.900 39.200 45.513 1.00 4.42 ? 38 THR X O 1 ATOM 271 C CB . THR A 1 34 ? 9.247 40.689 47.754 1.00 4.86 ? 38 THR X CB 1 ATOM 272 O OG1 . THR A 1 34 ? 8.030 39.958 47.910 1.00 4.62 ? 38 THR X OG1 1 ATOM 273 C CG2 . THR A 1 34 ? 9.150 41.996 48.529 1.00 5.69 ? 38 THR X CG2 1 ATOM 274 N N . HIS A 1 35 ? 8.741 39.053 44.908 1.00 4.33 ? 39 HIS X N 1 ATOM 275 C CA . HIS A 1 35 ? 8.878 37.750 44.264 1.00 4.97 ? 39 HIS X CA 1 ATOM 276 C C . HIS A 1 35 ? 8.069 37.684 42.989 1.00 4.64 ? 39 HIS X C 1 ATOM 277 O O . HIS A 1 35 ? 6.905 38.100 42.984 1.00 4.45 ? 39 HIS X O 1 ATOM 278 C CB . HIS A 1 35 ? 8.390 36.642 45.211 1.00 4.94 ? 39 HIS X CB 1 ATOM 279 C CG . HIS A 1 35 ? 9.157 36.579 46.486 1.00 4.58 ? 39 HIS X CG 1 ATOM 280 N ND1 . HIS A 1 35 ? 8.897 37.419 47.548 1.00 4.22 ? 39 HIS X ND1 1 ATOM 281 C CD2 . HIS A 1 35 ? 10.227 35.832 46.841 1.00 4.69 ? 39 HIS X CD2 1 ATOM 282 C CE1 . HIS A 1 35 ? 9.766 37.176 48.514 1.00 5.67 ? 39 HIS X CE1 1 ATOM 283 N NE2 . HIS A 1 35 ? 10.586 36.223 48.104 1.00 4.23 ? 39 HIS X NE2 1 ATOM 284 N N . LEU A 1 36 ? 8.652 37.109 41.939 1.00 4.79 ? 40 LEU X N 1 ATOM 285 C CA . LEU A 1 36 ? 7.962 36.854 40.685 1.00 5.57 ? 40 LEU X CA 1 ATOM 286 C C . LEU A 1 36 ? 8.030 35.342 40.485 1.00 5.16 ? 40 LEU X C 1 ATOM 287 O O . LEU A 1 36 ? 9.145 34.780 40.463 1.00 5.67 ? 40 LEU X O 1 ATOM 288 C CB . LEU A 1 36 ? 8.644 37.600 39.528 1.00 5.83 ? 40 LEU X CB 1 ATOM 289 C CG . LEU A 1 36 ? 7.997 37.635 38.128 1.00 7.25 ? 40 LEU X CG 1 ATOM 290 C CD1 . LEU A 1 36 ? 8.063 36.299 37.389 1.00 8.89 ? 40 LEU X CD1 1 ATOM 291 C CD2 . LEU A 1 36 ? 6.561 38.193 38.137 1.00 8.43 ? 40 LEU X CD2 1 ATOM 292 N N . ILE A 1 37 ? 6.872 34.688 40.355 1.00 4.51 ? 41 ILE X N 1 ATOM 293 C CA . ILE A 1 37 ? 6.811 33.233 40.222 1.00 4.53 ? 41 ILE X CA 1 ATOM 294 C C . ILE A 1 37 ? 6.435 32.856 38.783 1.00 4.34 ? 41 ILE X C 1 ATOM 295 O O . ILE A 1 37 ? 5.287 33.036 38.356 1.00 5.21 ? 41 ILE X O 1 ATOM 296 C CB . ILE A 1 37 ? 5.847 32.579 41.261 1.00 4.36 ? 41 ILE X CB 1 ATOM 297 C CG1 . ILE A 1 37 ? 6.235 33.000 42.689 1.00 4.66 ? 41 ILE X CG1 1 ATOM 298 C CG2 . ILE A 1 37 ? 5.885 31.050 41.120 1.00 5.23 ? 41 ILE X CG2 1 ATOM 299 C CD1 . ILE A 1 37 ? 5.384 32.390 43.795 1.00 6.34 ? 41 ILE X CD1 1 ATOM 300 N N . VAL A 1 38 ? 7.432 32.370 38.041 1.00 4.67 ? 42 VAL X N 1 ATOM 301 C CA . VAL A 1 38 ? 7.254 31.902 36.662 1.00 5.25 ? 42 VAL X CA 1 ATOM 302 C C . VAL A 1 38 ? 6.590 30.528 36.723 1.00 4.42 ? 42 VAL X C 1 ATOM 303 O O . VAL A 1 38 ? 7.051 29.640 37.442 1.00 4.71 ? 42 VAL X O 1 ATOM 304 C CB . VAL A 1 38 ? 8.605 31.823 35.920 1.00 5.89 ? 42 VAL X CB 1 ATOM 305 C CG1 . VAL A 1 38 ? 8.441 31.224 34.512 1.00 6.58 ? 42 VAL X CG1 1 ATOM 306 C CG2 . VAL A 1 38 ? 9.225 33.219 35.839 1.00 6.57 ? 42 VAL X CG2 1 ATOM 307 N N . CYS A 1 39 ? 5.515 30.355 35.964 1.00 4.90 ? 43 CYS X N 1 ATOM 308 C CA . CYS A 1 39 ? 4.692 29.155 36.077 1.00 5.15 ? 43 CYS X CA 1 ATOM 309 C C . CYS A 1 39 ? 3.891 28.924 34.788 1.00 4.86 ? 43 CYS X C 1 ATOM 310 O O . CYS A 1 39 ? 3.847 29.812 33.944 1.00 5.74 ? 43 CYS X O 1 ATOM 311 C CB . CYS A 1 39 ? 3.750 29.276 37.286 1.00 5.05 ? 43 CYS X CB 1 ATOM 312 S SG . CYS A 1 39 ? 2.582 30.667 37.243 1.00 6.00 ? 43 CYS X SG 1 ATOM 313 N N . SER A 1 40 ? 3.264 27.758 34.610 1.00 5.26 ? 44 SER X N 1 ATOM 314 C CA . SER A 1 40 ? 3.384 26.591 35.479 1.00 5.63 ? 44 SER X CA 1 ATOM 315 C C . SER A 1 40 ? 4.286 25.549 34.843 1.00 5.77 ? 44 SER X C 1 ATOM 316 O O . SER A 1 40 ? 4.073 25.127 33.702 1.00 5.93 ? 44 SER X O 1 ATOM 317 C CB . SER A 1 40 ? 2.018 25.965 35.745 1.00 5.66 ? 44 SER X CB 1 ATOM 318 O OG . SER A 1 40 ? 1.162 26.878 36.411 1.00 6.95 ? 44 SER X OG 1 ATOM 319 N N . PHE A 1 41 ? 5.301 25.122 35.584 1.00 5.39 ? 45 PHE X N 1 ATOM 320 C CA . PHE A 1 41 ? 6.114 23.979 35.178 1.00 6.10 ? 45 PHE X CA 1 ATOM 321 C C . PHE A 1 41 ? 5.294 22.695 35.332 1.00 6.04 ? 45 PHE X C 1 ATOM 322 O O . PHE A 1 41 ? 4.465 22.572 36.242 1.00 6.74 ? 45 PHE X O 1 ATOM 323 C CB . PHE A 1 41 ? 7.418 23.912 35.982 1.00 6.34 ? 45 PHE X CB 1 ATOM 324 C CG . PHE A 1 41 ? 8.423 24.979 35.608 1.00 6.81 ? 45 PHE X CG 1 ATOM 325 C CD1 . PHE A 1 41 ? 9.354 24.753 34.599 1.00 6.31 ? 45 PHE X CD1 1 ATOM 326 C CD2 . PHE A 1 41 ? 8.435 26.208 36.262 1.00 7.31 ? 45 PHE X CD2 1 ATOM 327 C CE1 . PHE A 1 41 ? 10.295 25.728 34.254 1.00 7.37 ? 45 PHE X CE1 1 ATOM 328 C CE2 . PHE A 1 41 ? 9.370 27.192 35.919 1.00 8.35 ? 45 PHE X CE2 1 ATOM 329 C CZ . PHE A 1 41 ? 10.300 26.950 34.913 1.00 7.65 ? 45 PHE X CZ 1 ATOM 330 N N . HIS A 1 42 ? 5.519 21.770 34.402 1.00 6.82 ? 46 HIS X N 1 ATOM 331 C CA . HIS A 1 42 ? 4.814 20.491 34.327 1.00 7.71 ? 46 HIS X CA 1 ATOM 332 C C . HIS A 1 42 ? 5.815 19.357 34.173 1.00 8.50 ? 46 HIS X C 1 ATOM 333 O O . HIS A 1 42 ? 6.670 19.388 33.274 1.00 8.54 ? 46 HIS X O 1 ATOM 334 C CB . HIS A 1 42 ? 3.891 20.460 33.110 1.00 8.50 ? 46 HIS X CB 1 ATOM 335 C CG . HIS A 1 42 ? 2.910 21.584 33.065 1.00 9.25 ? 46 HIS X CG 1 ATOM 336 N ND1 . HIS A 1 42 ? 1.988 21.796 34.066 1.00 11.65 ? 46 HIS X ND1 1 ATOM 337 C CD2 . HIS A 1 42 ? 2.685 22.542 32.135 1.00 11.11 ? 46 HIS X CD2 1 ATOM 338 C CE1 . HIS A 1 42 ? 1.251 22.850 33.765 1.00 11.42 ? 46 HIS X CE1 1 ATOM 339 N NE2 . HIS A 1 42 ? 1.651 23.319 32.599 1.00 12.84 ? 46 HIS X NE2 1 ATOM 340 N N . ILE A 1 43 ? 5.719 18.377 35.066 1.00 8.89 ? 47 ILE X N 1 ATOM 341 C CA . ILE A 1 43 ? 6.482 17.136 34.959 1.00 10.64 ? 47 ILE X CA 1 ATOM 342 C C . ILE A 1 43 ? 5.623 16.148 34.172 1.00 11.21 ? 47 ILE X C 1 ATOM 343 O O . ILE A 1 43 ? 4.475 15.869 34.539 1.00 12.05 ? 47 ILE X O 1 ATOM 344 C CB . ILE A 1 43 ? 6.835 16.549 36.356 1.00 11.05 ? 47 ILE X CB 1 ATOM 345 C CG1 . ILE A 1 43 ? 7.478 17.605 37.270 1.00 13.64 ? 47 ILE X CG1 1 ATOM 346 C CG2 . ILE A 1 43 ? 7.689 15.272 36.227 1.00 11.90 ? 47 ILE X CG2 1 ATOM 347 C CD1 . ILE A 1 43 ? 8.834 18.079 36.849 1.00 16.46 ? 47 ILE X CD1 1 ATOM 348 N N . ASN A 1 44 ? 6.171 15.635 33.076 1.00 11.38 ? 48 ASN X N 1 ATOM 349 C CA . ASN A 1 44 ? 5.422 14.771 32.164 1.00 12.09 ? 48 ASN X CA 1 ATOM 350 C C . ASN A 1 44 ? 5.980 13.363 32.132 1.00 11.06 ? 48 ASN X C 1 ATOM 351 O O . ASN A 1 44 ? 7.144 13.178 31.782 1.00 10.85 ? 48 ASN X O 1 ATOM 352 C CB . ASN A 1 44 ? 5.471 15.365 30.757 1.00 12.92 ? 48 ASN X CB 1 ATOM 353 C CG . ASN A 1 44 ? 4.920 16.779 30.706 1.00 15.19 ? 48 ASN X CG 1 ATOM 354 O OD1 . ASN A 1 44 ? 5.637 17.728 30.385 1.00 18.06 ? 48 ASN X OD1 1 ATOM 355 N ND2 . ASN A 1 44 ? 3.648 16.931 31.061 1.00 18.01 ? 48 ASN X ND2 1 ATOM 356 N N . GLN A 1 45 ? 5.163 12.374 32.501 1.00 11.04 ? 49 GLN X N 1 ATOM 357 C CA . GLN A 1 45 ? 5.570 10.975 32.379 1.00 10.75 ? 49 GLN X CA 1 ATOM 358 C C . GLN A 1 45 ? 6.065 10.715 30.953 1.00 10.16 ? 49 GLN X C 1 ATOM 359 O O . GLN A 1 45 ? 5.392 11.063 29.984 1.00 10.95 ? 49 GLN X O 1 ATOM 360 C CB . GLN A 1 45 ? 4.416 10.021 32.715 1.00 10.63 ? 49 GLN X CB 1 ATOM 361 C CG . GLN A 1 45 ? 4.779 8.542 32.503 1.00 12.02 ? 49 GLN X CG 1 ATOM 362 C CD . GLN A 1 45 ? 3.614 7.586 32.665 1.00 13.14 ? 49 GLN X CD 1 ATOM 363 O OE1 . GLN A 1 45 ? 3.707 6.617 33.413 1.00 14.91 ? 49 GLN X OE1 1 ATOM 364 N NE2 . GLN A 1 45 ? 2.527 7.836 31.940 1.00 14.11 ? 49 GLN X NE2 1 ATOM 365 N N . GLY A 1 46 ? 7.257 10.140 30.837 1.00 9.44 ? 50 GLY X N 1 ATOM 366 C CA . GLY A 1 46 ? 7.821 9.819 29.527 1.00 9.34 ? 50 GLY X CA 1 ATOM 367 C C . GLY A 1 46 ? 8.286 11.016 28.708 1.00 9.69 ? 50 GLY X C 1 ATOM 368 O O . GLY A 1 46 ? 8.730 10.848 27.569 1.00 9.38 ? 50 GLY X O 1 ATOM 369 N N . GLY A 1 47 ? 8.192 12.219 29.279 1.00 9.66 ? 51 GLY X N 1 ATOM 370 C CA . GLY A 1 47 ? 8.572 13.448 28.585 1.00 9.54 ? 51 GLY X CA 1 ATOM 371 C C . GLY A 1 47 ? 9.626 14.285 29.283 1.00 9.05 ? 51 GLY X C 1 ATOM 372 O O . GLY A 1 47 ? 10.354 13.811 30.159 1.00 8.21 ? 51 GLY X O 1 ATOM 373 N N . VAL A 1 48 ? 9.723 15.533 28.854 1.00 8.72 ? 52 VAL X N 1 ATOM 374 C CA . VAL A 1 48 ? 10.613 16.499 29.487 1.00 8.69 ? 52 VAL X CA 1 ATOM 375 C C . VAL A 1 48 ? 9.760 17.555 30.181 1.00 7.84 ? 52 VAL X C 1 ATOM 376 O O . VAL A 1 48 ? 8.594 17.752 29.837 1.00 7.83 ? 52 VAL X O 1 ATOM 377 C CB . VAL A 1 48 ? 11.602 17.191 28.483 1.00 8.33 ? 52 VAL X CB 1 ATOM 378 C CG1 . VAL A 1 48 ? 12.515 16.152 27.835 1.00 8.95 ? 52 VAL X CG1 1 ATOM 379 C CG2 . VAL A 1 48 ? 10.838 18.009 27.421 1.00 10.46 ? 52 VAL X CG2 1 ATOM 380 N N . VAL A 1 49 ? 10.368 18.238 31.144 1.00 8.45 ? 53 VAL X N 1 ATOM 381 C CA . VAL A 1 49 ? 9.695 19.340 31.813 1.00 8.50 ? 53 VAL X CA 1 ATOM 382 C C . VAL A 1 49 ? 9.237 20.375 30.779 1.00 7.69 ? 53 VAL X C 1 ATOM 383 O O . VAL A 1 49 ? 9.977 20.716 29.849 1.00 7.85 ? 53 VAL X O 1 ATOM 384 C CB . VAL A 1 49 ? 10.613 19.982 32.853 1.00 8.54 ? 53 VAL X CB 1 ATOM 385 C CG1 . VAL A 1 49 ? 10.060 21.318 33.368 1.00 10.02 ? 53 VAL X CG1 1 ATOM 386 C CG2 . VAL A 1 49 ? 10.874 19.019 33.983 1.00 9.81 ? 53 VAL X CG2 1 ATOM 387 N N . HIS A 1 50 ? 7.991 20.823 30.922 1.00 7.56 ? 54 HIS X N 1 ATOM 388 C CA . HIS A 1 50 ? 7.472 21.931 30.157 1.00 8.06 ? 54 HIS X CA 1 ATOM 389 C C . HIS A 1 50 ? 7.177 23.108 31.075 1.00 7.50 ? 54 HIS X C 1 ATOM 390 O O . HIS A 1 50 ? 6.819 22.921 32.244 1.00 8.61 ? 54 HIS X O 1 ATOM 391 C CB . HIS A 1 50 ? 6.178 21.515 29.456 1.00 7.84 ? 54 HIS X CB 1 ATOM 392 C CG . HIS A 1 50 ? 6.396 20.728 28.199 1.00 8.82 ? 54 HIS X CG 1 ATOM 393 N ND1 . HIS A 1 50 ? 7.116 19.554 28.173 1.00 9.73 ? 54 HIS X ND1 1 ATOM 394 C CD2 . HIS A 1 50 ? 5.995 20.952 26.922 1.00 10.06 ? 54 HIS X CD2 1 ATOM 395 C CE1 . HIS A 1 50 ? 7.141 19.084 26.936 1.00 10.93 ? 54 HIS X CE1 1 ATOM 396 N NE2 . HIS A 1 50 ? 6.469 19.913 26.158 1.00 10.25 ? 54 HIS X NE2 1 ATOM 397 N N . LEU A 1 51 ? 7.351 24.315 30.548 1.00 7.70 ? 55 LEU X N 1 ATOM 398 C CA . LEU A 1 51 ? 6.787 25.519 31.144 1.00 7.09 ? 55 LEU X CA 1 ATOM 399 C C . LEU A 1 51 ? 5.575 25.814 30.280 1.00 7.50 ? 55 LEU X C 1 ATOM 400 O O . LEU A 1 51 ? 5.716 26.211 29.118 1.00 7.75 ? 55 LEU X O 1 ATOM 401 C CB . LEU A 1 51 ? 7.804 26.660 31.111 1.00 7.47 ? 55 LEU X CB 1 ATOM 402 C CG . LEU A 1 51 ? 7.292 28.022 31.589 1.00 6.64 ? 55 LEU X CG 1 ATOM 403 C CD1 . LEU A 1 51 ? 6.692 27.931 33.013 1.00 5.08 ? 55 LEU X CD1 1 ATOM 404 C CD2 . LEU A 1 51 ? 8.414 29.054 31.539 1.00 7.11 ? 55 LEU X CD2 1 ATOM 405 N N . ASN A 1 52 ? 4.386 25.569 30.823 1.00 7.94 ? 56 ASN X N 1 ATOM 406 C CA . ASN A 1 52 ? 3.160 25.674 30.035 1.00 8.69 ? 56 ASN X CA 1 ATOM 407 C C . ASN A 1 52 ? 3.279 24.797 28.775 1.00 9.59 ? 56 ASN X C 1 ATOM 408 O O . ASN A 1 52 ? 3.488 23.590 28.916 1.00 10.37 ? 56 ASN X O 1 ATOM 409 C CB . ASN A 1 52 ? 2.788 27.146 29.789 1.00 8.20 ? 56 ASN X CB 1 ATOM 410 C CG . ASN A 1 52 ? 2.714 27.926 31.096 1.00 7.14 ? 56 ASN X CG 1 ATOM 411 O OD1 . ASN A 1 52 ? 2.095 27.469 32.053 1.00 8.08 ? 56 ASN X OD1 1 ATOM 412 N ND2 . ASN A 1 52 ? 3.400 29.055 31.159 1.00 7.74 ? 56 ASN X ND2 1 ATOM 413 N N . ASP A 1 53 ? 3.213 25.376 27.577 1.00 10.07 ? 57 ASP X N 1 ATOM 414 C CA . ASP A 1 53 ? 3.111 24.555 26.360 1.00 11.18 ? 57 ASP X CA 1 ATOM 415 C C . ASP A 1 53 ? 4.424 24.149 25.686 1.00 11.22 ? 57 ASP X C 1 ATOM 416 O O . ASP A 1 53 ? 4.395 23.446 24.668 1.00 11.93 ? 57 ASP X O 1 ATOM 417 C CB . ASP A 1 53 ? 2.147 25.193 25.355 1.00 12.38 ? 57 ASP X CB 1 ATOM 418 C CG . ASP A 1 53 ? 0.750 25.356 25.920 1.00 14.73 ? 57 ASP X CG 1 ATOM 419 O OD1 . ASP A 1 53 ? 0.267 24.430 26.608 1.00 17.83 ? 57 ASP X OD1 1 ATOM 420 O OD2 . ASP A 1 53 ? 0.139 26.420 25.683 1.00 19.28 ? 57 ASP X OD2 1 ATOM 421 N N . PHE A 1 54 ? 5.562 24.577 26.236 1.00 10.62 ? 58 PHE X N 1 ATOM 422 C CA . PHE A 1 54 ? 6.868 24.310 25.629 1.00 10.53 ? 58 PHE X CA 1 ATOM 423 C C . PHE A 1 54 ? 7.902 23.990 26.698 1.00 10.10 ? 58 PHE X C 1 ATOM 424 O O . PHE A 1 54 ? 7.772 24.450 27.838 1.00 10.17 ? 58 PHE X O 1 ATOM 425 C CB . PHE A 1 54 ? 7.370 25.524 24.843 1.00 10.79 ? 58 PHE X CB 1 ATOM 426 C CG . PHE A 1 54 ? 6.452 25.973 23.732 1.00 11.65 ? 58 PHE X CG 1 ATOM 427 C CD1 . PHE A 1 54 ? 6.598 25.456 22.453 1.00 13.32 ? 58 PHE X CD1 1 ATOM 428 C CD2 . PHE A 1 54 ? 5.473 26.937 23.960 1.00 12.90 ? 58 PHE X CD2 1 ATOM 429 C CE1 . PHE A 1 54 ? 5.764 25.880 21.414 1.00 14.89 ? 58 PHE X CE1 1 ATOM 430 C CE2 . PHE A 1 54 ? 4.639 27.367 22.937 1.00 14.35 ? 58 PHE X CE2 1 ATOM 431 C CZ . PHE A 1 54 ? 4.788 26.835 21.658 1.00 13.60 ? 58 PHE X CZ 1 ATOM 432 N N . PRO A 1 55 ? 8.945 23.219 26.341 1.00 9.59 ? 59 PRO X N 1 ATOM 433 C CA . PRO A 1 55 ? 10.088 23.082 27.232 1.00 9.48 ? 59 PRO X CA 1 ATOM 434 C C . PRO A 1 55 ? 10.651 24.473 27.538 1.00 8.77 ? 59 PRO X C 1 ATOM 435 O O . PRO A 1 55 ? 10.638 25.343 26.677 1.00 8.61 ? 59 PRO X O 1 ATOM 436 C CB . PRO A 1 55 ? 11.084 22.252 26.411 1.00 9.61 ? 59 PRO X CB 1 ATOM 437 C CG . PRO A 1 55 ? 10.224 21.504 25.447 1.00 10.20 ? 59 PRO X CG 1 ATOM 438 C CD . PRO A 1 55 ? 9.110 22.429 25.104 1.00 9.89 ? 59 PRO X CD 1 ATOM 439 N N . PRO A 1 56 ? 11.136 24.697 28.763 1.00 8.40 ? 60 PRO X N 1 ATOM 440 C CA . PRO A 1 56 ? 11.546 26.053 29.135 1.00 8.54 ? 60 PRO X CA 1 ATOM 441 C C . PRO A 1 56 ? 12.713 26.616 28.322 1.00 8.93 ? 60 PRO X C 1 ATOM 442 O O . PRO A 1 56 ? 12.880 27.834 28.282 1.00 8.87 ? 60 PRO X O 1 ATOM 443 C CB . PRO A 1 56 ? 11.921 25.913 30.620 1.00 8.19 ? 60 PRO X CB 1 ATOM 444 C CG . PRO A 1 56 ? 12.208 24.446 30.793 1.00 8.05 ? 60 PRO X CG 1 ATOM 445 C CD . PRO A 1 56 ? 11.235 23.765 29.896 1.00 8.36 ? 60 PRO X CD 1 ATOM 446 N N . ASP A 1 57 ? 13.498 25.754 27.672 1.00 9.48 ? 61 ASP X N 1 ATOM 447 C CA . ASP A 1 57 ? 14.624 26.231 26.858 1.00 10.81 ? 61 ASP X CA 1 ATOM 448 C C . ASP A 1 57 ? 14.210 26.570 25.411 1.00 10.63 ? 61 ASP X C 1 ATOM 449 O O . ASP A 1 57 ? 15.056 26.937 24.572 1.00 11.09 ? 61 ASP X O 1 ATOM 450 C CB . ASP A 1 57 ? 15.793 25.228 26.884 1.00 11.70 ? 61 ASP X CB 1 ATOM 451 C CG . ASP A 1 57 ? 15.510 23.982 26.094 1.00 15.16 ? 61 ASP X CG 1 ATOM 452 O OD1 . ASP A 1 57 ? 14.324 23.585 26.011 1.00 17.66 ? 61 ASP X OD1 1 ATOM 453 O OD2 . ASP A 1 57 ? 16.472 23.384 25.559 1.00 19.19 ? 61 ASP X OD2 1 ATOM 454 N N . ASP A 1 58 ? 12.917 26.447 25.123 1.00 10.12 ? 62 ASP X N 1 ATOM 455 C CA . ASP A 1 58 ? 12.365 26.764 23.803 1.00 10.59 ? 62 ASP X CA 1 ATOM 456 C C . ASP A 1 58 ? 12.508 28.259 23.492 1.00 10.47 ? 62 ASP X C 1 ATOM 457 O O . ASP A 1 58 ? 12.445 29.097 24.401 1.00 10.40 ? 62 ASP X O 1 ATOM 458 C CB . ASP A 1 58 ? 10.896 26.356 23.751 1.00 10.41 ? 62 ASP X CB 1 ATOM 459 C CG . ASP A 1 58 ? 10.331 26.337 22.344 1.00 10.91 ? 62 ASP X CG 1 ATOM 460 O OD1 . ASP A 1 58 ? 9.863 27.390 21.880 1.00 11.23 ? 62 ASP X OD1 1 ATOM 461 O OD2 . ASP A 1 58 ? 10.334 25.270 21.706 1.00 11.29 ? 62 ASP X OD2 1 ATOM 462 N N . PRO A 1 59 ? 12.718 28.603 22.201 1.00 10.47 ? 63 PRO X N 1 ATOM 463 C CA . PRO A 1 59 ? 12.730 30.013 21.777 1.00 10.40 ? 63 PRO X CA 1 ATOM 464 C C . PRO A 1 59 ? 11.518 30.821 22.262 1.00 10.00 ? 63 PRO X C 1 ATOM 465 O O . PRO A 1 59 ? 11.640 32.032 22.472 1.00 9.97 ? 63 PRO X O 1 ATOM 466 C CB . PRO A 1 59 ? 12.751 29.909 20.249 1.00 10.90 ? 63 PRO X CB 1 ATOM 467 C CG . PRO A 1 59 ? 13.514 28.650 20.003 1.00 10.73 ? 63 PRO X CG 1 ATOM 468 C CD . PRO A 1 59 ? 13.137 27.702 21.107 1.00 10.66 ? 63 PRO X CD 1 ATOM 469 N N . HIS A 1 60 ? 10.382 30.153 22.463 1.00 9.79 ? 64 HIS X N 1 ATOM 470 C CA . HIS A 1 60 ? 9.182 30.781 23.031 1.00 9.69 ? 64 HIS X CA 1 ATOM 471 C C . HIS A 1 60 ? 9.476 31.608 24.289 1.00 9.16 ? 64 HIS X C 1 ATOM 472 O O . HIS A 1 60 ? 8.834 32.644 24.526 1.00 9.55 ? 64 HIS X O 1 ATOM 473 C CB . HIS A 1 60 ? 8.110 29.719 23.329 1.00 9.92 ? 64 HIS X CB 1 ATOM 474 C CG . HIS A 1 60 ? 6.719 30.267 23.465 1.00 10.98 ? 64 HIS X CG 1 ATOM 475 N ND1 . HIS A 1 60 ? 6.021 30.805 22.404 1.00 11.92 ? 64 HIS X ND1 1 ATOM 476 C CD2 . HIS A 1 60 ? 5.881 30.320 24.528 1.00 11.59 ? 64 HIS X CD2 1 ATOM 477 C CE1 . HIS A 1 60 ? 4.824 31.188 22.814 1.00 12.57 ? 64 HIS X CE1 1 ATOM 478 N NE2 . HIS A 1 60 ? 4.712 30.903 24.098 1.00 12.24 ? 64 HIS X NE2 1 ATOM 479 N N . PHE A 1 61 ? 10.474 31.178 25.060 1.00 9.15 ? 65 PHE X N 1 ATOM 480 C CA . PHE A 1 61 ? 10.788 31.814 26.336 1.00 8.97 ? 65 PHE X CA 1 ATOM 481 C C . PHE A 1 61 ? 12.078 32.634 26.384 1.00 8.69 ? 65 PHE X C 1 ATOM 482 O O . PHE A 1 61 ? 12.528 33.008 27.468 1.00 8.88 ? 65 PHE X O 1 ATOM 483 C CB . PHE A 1 61 ? 10.769 30.764 27.452 1.00 8.93 ? 65 PHE X CB 1 ATOM 484 C CG . PHE A 1 61 ? 9.434 30.105 27.627 1.00 8.57 ? 65 PHE X CG 1 ATOM 485 C CD1 . PHE A 1 61 ? 8.303 30.855 27.957 1.00 8.99 ? 65 PHE X CD1 1 ATOM 486 C CD2 . PHE A 1 61 ? 9.295 28.731 27.441 1.00 8.26 ? 65 PHE X CD2 1 ATOM 487 C CE1 . PHE A 1 61 ? 7.063 30.241 28.103 1.00 9.12 ? 65 PHE X CE1 1 ATOM 488 C CE2 . PHE A 1 61 ? 8.059 28.116 27.582 1.00 8.68 ? 65 PHE X CE2 1 ATOM 489 C CZ . PHE A 1 61 ? 6.944 28.867 27.928 1.00 7.87 ? 65 PHE X CZ 1 ATOM 490 N N . TYR A 1 62 ? 12.658 32.965 25.228 1.00 9.10 ? 66 TYR X N 1 ATOM 491 C CA . TYR A 1 62 ? 13.871 33.787 25.222 1.00 9.26 ? 66 TYR X CA 1 ATOM 492 C C . TYR A 1 62 ? 13.676 35.136 25.917 1.00 8.38 ? 66 TYR X C 1 ATOM 493 O O . TYR A 1 62 ? 14.536 35.572 26.680 1.00 8.84 ? 66 TYR X O 1 ATOM 494 C CB . TYR A 1 62 ? 14.388 34.032 23.800 1.00 10.30 ? 66 TYR X CB 1 ATOM 495 C CG . TYR A 1 62 ? 15.036 32.838 23.126 1.00 12.36 ? 66 TYR X CG 1 ATOM 496 C CD1 . TYR A 1 62 ? 15.521 31.755 23.867 1.00 15.15 ? 66 TYR X CD1 1 ATOM 497 C CD2 . TYR A 1 62 ? 15.176 32.801 21.734 1.00 14.67 ? 66 TYR X CD2 1 ATOM 498 C CE1 . TYR A 1 62 ? 16.119 30.661 23.241 1.00 16.98 ? 66 TYR X CE1 1 ATOM 499 C CE2 . TYR A 1 62 ? 15.786 31.715 21.098 1.00 15.79 ? 66 TYR X CE2 1 ATOM 500 C CZ . TYR A 1 62 ? 16.248 30.651 21.861 1.00 17.09 ? 66 TYR X CZ 1 ATOM 501 O OH . TYR A 1 62 ? 16.843 29.570 21.241 1.00 18.63 ? 66 TYR X OH 1 ATOM 502 N N . THR A 1 63 ? 12.557 35.800 25.622 1.00 8.61 ? 67 THR X N 1 ATOM 503 C CA . THR A 1 63 ? 12.279 37.120 26.190 1.00 8.06 ? 67 THR X CA 1 ATOM 504 C C . THR A 1 63 ? 12.110 36.974 27.702 1.00 6.84 ? 67 THR X C 1 ATOM 505 O O . THR A 1 63 ? 12.702 37.704 28.473 1.00 6.94 ? 67 THR X O 1 ATOM 506 C CB . THR A 1 63 ? 11.017 37.782 25.561 1.00 8.29 ? 67 THR X CB 1 ATOM 507 O OG1 . THR A 1 63 ? 11.141 37.833 24.126 1.00 9.64 ? 67 THR X OG1 1 ATOM 508 C CG2 . THR A 1 63 ? 10.807 39.195 26.109 1.00 9.57 ? 67 THR X CG2 1 ATOM 509 N N . LEU A 1 64 ? 11.299 35.994 28.106 1.00 6.76 ? 68 LEU X N 1 ATOM 510 C CA . LEU A 1 64 ? 11.039 35.747 29.524 1.00 6.76 ? 68 LEU X CA 1 ATOM 511 C C . LEU A 1 64 ? 12.340 35.590 30.327 1.00 6.85 ? 68 LEU X C 1 ATOM 512 O O . LEU A 1 64 ? 12.567 36.310 31.299 1.00 6.07 ? 68 LEU X O 1 ATOM 513 C CB . LEU A 1 64 ? 10.134 34.521 29.672 1.00 7.20 ? 68 LEU X CB 1 ATOM 514 C CG . LEU A 1 64 ? 9.524 34.218 31.042 1.00 7.44 ? 68 LEU X CG 1 ATOM 515 C CD1 . LEU A 1 64 ? 8.308 33.319 30.886 1.00 8.03 ? 68 LEU X CD1 1 ATOM 516 C CD2 . LEU A 1 64 ? 10.548 33.584 31.963 1.00 8.91 ? 68 LEU X CD2 1 ATOM 517 N N . TRP A 1 65 ? 13.208 34.662 29.913 1.00 6.72 ? 69 TRP X N 1 ATOM 518 C CA . TRP A 1 65 ? 14.402 34.371 30.715 1.00 6.98 ? 69 TRP X CA 1 ATOM 519 C C . TRP A 1 65 ? 15.389 35.527 30.696 1.00 6.90 ? 69 TRP X C 1 ATOM 520 O O . TRP A 1 65 ? 16.032 35.799 31.696 1.00 7.20 ? 69 TRP X O 1 ATOM 521 C CB . TRP A 1 65 ? 15.062 33.038 30.339 1.00 6.78 ? 69 TRP X CB 1 ATOM 522 C CG . TRP A 1 65 ? 14.178 31.848 30.634 1.00 6.63 ? 69 TRP X CG 1 ATOM 523 C CD1 . TRP A 1 65 ? 13.694 30.932 29.726 1.00 5.84 ? 69 TRP X CD1 1 ATOM 524 C CD2 . TRP A 1 65 ? 13.624 31.468 31.912 1.00 6.38 ? 69 TRP X CD2 1 ATOM 525 N NE1 . TRP A 1 65 ? 12.904 30.002 30.364 1.00 7.62 ? 69 TRP X NE1 1 ATOM 526 C CE2 . TRP A 1 65 ? 12.840 30.310 31.700 1.00 6.50 ? 69 TRP X CE2 1 ATOM 527 C CE3 . TRP A 1 65 ? 13.729 31.985 33.212 1.00 5.91 ? 69 TRP X CE3 1 ATOM 528 C CZ2 . TRP A 1 65 ? 12.158 29.668 32.739 1.00 7.44 ? 69 TRP X CZ2 1 ATOM 529 C CZ3 . TRP A 1 65 ? 13.037 31.340 34.245 1.00 5.87 ? 69 TRP X CZ3 1 ATOM 530 C CH2 . TRP A 1 65 ? 12.270 30.199 33.997 1.00 8.10 ? 69 TRP X CH2 1 ATOM 531 N N . ASN A 1 66 ? 15.492 36.216 29.557 1.00 7.08 ? 70 ASN X N 1 ATOM 532 C CA . ASN A 1 66 ? 16.306 37.425 29.505 1.00 6.83 ? 70 ASN X CA 1 ATOM 533 C C . ASN A 1 66 ? 15.826 38.504 30.481 1.00 6.49 ? 70 ASN X C 1 ATOM 534 O O . ASN A 1 66 ? 16.633 39.138 31.166 1.00 6.98 ? 70 ASN X O 1 ATOM 535 C CB . ASN A 1 66 ? 16.387 37.967 28.087 1.00 7.60 ? 70 ASN X CB 1 ATOM 536 C CG . ASN A 1 66 ? 17.499 37.324 27.311 1.00 7.69 ? 70 ASN X CG 1 ATOM 537 O OD1 . ASN A 1 66 ? 18.655 37.680 27.482 1.00 10.53 ? 70 ASN X OD1 1 ATOM 538 N ND2 . ASN A 1 66 ? 17.161 36.361 26.478 1.00 9.78 ? 70 ASN X ND2 1 ATOM 539 N N . GLU A 1 67 ? 14.511 38.678 30.571 1.00 6.57 ? 71 GLU X N 1 ATOM 540 C CA . GLU A 1 67 ? 13.950 39.653 31.512 1.00 6.03 ? 71 GLU X CA 1 ATOM 541 C C . GLU A 1 67 ? 14.185 39.272 32.979 1.00 5.51 ? 71 GLU X C 1 ATOM 542 O O . GLU A 1 67 ? 14.352 40.141 33.838 1.00 5.93 ? 71 GLU X O 1 ATOM 543 C CB . GLU A 1 67 ? 12.455 39.895 31.249 1.00 6.17 ? 71 GLU X CB 1 ATOM 544 C CG . GLU A 1 67 ? 12.198 40.628 29.932 1.00 5.88 ? 71 GLU X CG 1 ATOM 545 C CD . GLU A 1 67 ? 10.779 41.128 29.787 1.00 7.18 ? 71 GLU X CD 1 ATOM 546 O OE1 . GLU A 1 67 ? 9.857 40.523 30.371 1.00 8.12 ? 71 GLU X OE1 1 ATOM 547 O OE2 . GLU A 1 67 ? 10.596 42.146 29.074 1.00 8.06 ? 71 GLU X OE2 1 ATOM 548 N N . THR A 1 68 ? 14.208 37.973 33.282 1.00 6.09 ? 72 THR X N 1 ATOM 549 C CA . THR A 1 68 ? 14.382 37.580 34.693 1.00 5.90 ? 72 THR X CA 1 ATOM 550 C C . THR A 1 68 ? 15.692 38.085 35.304 1.00 6.01 ? 72 THR X C 1 ATOM 551 O O . THR A 1 68 ? 15.751 38.354 36.503 1.00 5.97 ? 72 THR X O 1 ATOM 552 C CB . THR A 1 68 ? 14.243 36.053 34.957 1.00 6.28 ? 72 THR X CB 1 ATOM 553 O OG1 . THR A 1 68 ? 15.307 35.345 34.314 1.00 6.71 ? 72 THR X OG1 1 ATOM 554 C CG2 . THR A 1 68 ? 12.878 35.510 34.499 1.00 7.63 ? 72 THR X CG2 1 ATOM 555 N N . ILE A 1 69 ? 16.729 38.231 34.475 1.00 6.23 ? 73 ILE X N 1 ATOM 556 C CA . ILE A 1 69 ? 18.011 38.759 34.949 1.00 7.47 ? 73 ILE X CA 1 ATOM 557 C C . ILE A 1 69 ? 17.833 40.188 35.465 1.00 7.30 ? 73 ILE X C 1 ATOM 558 O O . ILE A 1 69 ? 18.293 40.539 36.549 1.00 7.03 ? 73 ILE X O 1 ATOM 559 C CB . ILE A 1 69 ? 19.107 38.713 33.848 1.00 8.01 ? 73 ILE X CB 1 ATOM 560 C CG1 . ILE A 1 69 ? 19.333 37.273 33.384 1.00 8.60 ? 73 ILE X CG1 1 ATOM 561 C CG2 . ILE A 1 69 ? 20.425 39.322 34.352 1.00 9.20 ? 73 ILE X CG2 1 ATOM 562 C CD1 . ILE A 1 69 ? 20.081 37.149 32.071 1.00 9.75 ? 73 ILE X CD1 1 ATOM 563 N N . THR A 1 70 ? 17.111 40.989 34.688 1.00 6.97 ? 74 THR X N 1 ATOM 564 C CA . THR A 1 70 ? 16.836 42.374 35.038 1.00 7.37 ? 74 THR X CA 1 ATOM 565 C C . THR A 1 70 ? 15.962 42.477 36.287 1.00 6.36 ? 74 THR X C 1 ATOM 566 O O . THR A 1 70 ? 16.169 43.359 37.138 1.00 5.71 ? 74 THR X O 1 ATOM 567 C CB . THR A 1 70 ? 16.174 43.081 33.854 1.00 8.05 ? 74 THR X CB 1 ATOM 568 O OG1 . THR A 1 70 ? 16.992 42.868 32.696 1.00 9.65 ? 74 THR X OG1 1 ATOM 569 C CG2 . THR A 1 70 ? 16.020 44.572 34.106 1.00 8.36 ? 74 THR X CG2 1 ATOM 570 N N . MET A 1 71 ? 14.996 41.570 36.405 1.00 6.27 ? 75 MET X N 1 ATOM 571 C CA . MET A 1 71 ? 14.160 41.520 37.599 1.00 6.47 ? 75 MET X CA 1 ATOM 572 C C . MET A 1 71 ? 15.012 41.263 38.841 1.00 5.78 ? 75 MET X C 1 ATOM 573 O O . MET A 1 71 ? 14.869 41.927 39.862 1.00 6.29 ? 75 MET X O 1 ATOM 574 C CB . MET A 1 71 ? 13.106 40.435 37.453 1.00 6.56 ? 75 MET X CB 1 ATOM 575 C CG . MET A 1 71 ? 12.107 40.705 36.333 1.00 5.86 ? 75 MET X CG 1 ATOM 576 S SD . MET A 1 71 ? 11.045 42.145 36.599 1.00 6.50 ? 75 MET X SD 1 ATOM 577 C CE . MET A 1 71 ? 9.774 41.433 37.644 1.00 6.30 ? 75 MET X CE 1 ATOM 578 N N . LYS A 1 72 ? 15.915 40.291 38.733 1.00 6.14 ? 76 LYS X N 1 ATOM 579 C CA . LYS A 1 72 ? 16.824 39.994 39.836 1.00 6.74 ? 76 LYS X CA 1 ATOM 580 C C . LYS A 1 72 ? 17.752 41.167 40.166 1.00 6.99 ? 76 LYS X C 1 ATOM 581 O O . LYS A 1 72 ? 17.968 41.465 41.340 1.00 7.25 ? 76 LYS X O 1 ATOM 582 C CB . LYS A 1 72 ? 17.615 38.713 39.568 1.00 7.17 ? 76 LYS X CB 1 ATOM 583 C CG . LYS A 1 72 ? 16.730 37.472 39.625 1.00 7.82 ? 76 LYS X CG 1 ATOM 584 C CD . LYS A 1 72 ? 17.501 36.158 39.507 1.00 10.72 ? 76 LYS X CD 1 ATOM 585 C CE . LYS A 1 72 ? 17.785 35.817 38.058 1.00 10.04 ? 76 LYS X CE 1 ATOM 586 N NZ . LYS A 1 72 ? 18.333 34.421 37.902 1.00 10.45 ? 76 LYS X NZ 1 ATOM 587 N N . GLN A 1 73 ? 18.254 41.867 39.148 1.00 7.49 ? 77 GLN X N 1 ATOM 588 C CA . GLN A 1 73 ? 19.048 43.076 39.388 1.00 9.03 ? 77 GLN X CA 1 ATOM 589 C C . GLN A 1 73 ? 18.303 44.125 40.220 1.00 9.21 ? 77 GLN X C 1 ATOM 590 O O . GLN A 1 73 ? 18.900 44.813 41.053 1.00 9.42 ? 77 GLN X O 1 ATOM 591 C CB . GLN A 1 73 ? 19.518 43.686 38.067 1.00 9.52 ? 77 GLN X CB 1 ATOM 592 C CG . GLN A 1 73 ? 20.577 44.772 38.256 1.00 13.44 ? 77 GLN X CG 1 ATOM 593 C CD . GLN A 1 73 ? 21.179 45.283 36.952 1.00 17.17 ? 77 GLN X CD 1 ATOM 594 O OE1 . GLN A 1 73 ? 21.071 44.646 35.903 1.00 19.59 ? 77 GLN X OE1 1 ATOM 595 N NE2 . GLN A 1 73 ? 21.827 46.446 37.021 1.00 18.45 ? 77 GLN X NE2 1 ATOM 596 N N . ALA A 1 74 ? 16.997 44.254 39.992 1.00 8.88 ? 78 ALA X N 1 ATOM 597 C CA . ALA A 1 74 ? 16.186 45.211 40.735 1.00 9.46 ? 78 ALA X CA 1 ATOM 598 C C . ALA A 1 74 ? 15.865 44.738 42.156 1.00 9.50 ? 78 ALA X C 1 ATOM 599 O O . ALA A 1 74 ? 15.276 45.486 42.936 1.00 10.05 ? 78 ALA X O 1 ATOM 600 C CB . ALA A 1 74 ? 14.911 45.518 39.980 1.00 10.06 ? 78 ALA X CB 1 ATOM 601 N N . GLY A 1 75 ? 16.259 43.513 42.498 1.00 9.03 ? 79 GLY X N 1 ATOM 602 C CA . GLY A 1 75 ? 16.044 42.992 43.845 1.00 8.72 ? 79 GLY X CA 1 ATOM 603 C C . GLY A 1 75 ? 14.894 42.010 44.012 1.00 8.06 ? 79 GLY X C 1 ATOM 604 O O . GLY A 1 75 ? 14.630 41.563 45.133 1.00 9.14 ? 79 GLY X O 1 ATOM 605 N N . VAL A 1 76 ? 14.216 41.682 42.914 1.00 7.52 ? 80 VAL X N 1 ATOM 606 C CA . VAL A 1 76 ? 13.127 40.708 42.929 1.00 7.01 ? 80 VAL X CA 1 ATOM 607 C C . VAL A 1 76 ? 13.715 39.310 42.973 1.00 6.94 ? 80 VAL X C 1 ATOM 608 O O . VAL A 1 76 ? 14.705 39.033 42.298 1.00 7.00 ? 80 VAL X O 1 ATOM 609 C CB . VAL A 1 76 ? 12.227 40.865 41.677 1.00 7.18 ? 80 VAL X CB 1 ATOM 610 C CG1 . VAL A 1 76 ? 11.089 39.837 41.678 1.00 7.08 ? 80 VAL X CG1 1 ATOM 611 C CG2 . VAL A 1 76 ? 11.662 42.272 41.609 1.00 8.42 ? 80 VAL X CG2 1 ATOM 612 N N . LYS A 1 77 ? 13.123 38.427 43.770 1.00 5.94 ? 81 LYS X N 1 ATOM 613 C CA . LYS A 1 77 ? 13.510 37.019 43.739 1.00 6.42 ? 81 LYS X CA 1 ATOM 614 C C . LYS A 1 77 ? 12.662 36.317 42.690 1.00 6.03 ? 81 LYS X C 1 ATOM 615 O O . LYS A 1 77 ? 11.415 36.393 42.723 1.00 6.62 ? 81 LYS X O 1 ATOM 616 C CB . LYS A 1 77 ? 13.306 36.375 45.116 1.00 7.42 ? 81 LYS X CB 1 ATOM 617 C CG . LYS A 1 77 ? 14.055 37.030 46.269 1.00 9.08 ? 81 LYS X CG 1 ATOM 618 C CD . LYS A 1 77 ? 15.552 37.091 46.050 1.00 15.00 ? 81 LYS X CD 1 ATOM 619 C CE . LYS A 1 77 ? 16.228 37.818 47.199 1.00 17.31 ? 81 LYS X CE 1 ATOM 620 N NZ . LYS A 1 77 ? 17.571 37.245 47.480 1.00 20.38 ? 81 LYS X NZ 1 ATOM 621 N N . VAL A 1 78 ? 13.318 35.651 41.748 1.00 5.02 ? 82 VAL X N 1 ATOM 622 C CA . VAL A 1 78 ? 12.601 34.964 40.685 1.00 5.51 ? 82 VAL X CA 1 ATOM 623 C C . VAL A 1 78 ? 12.538 33.479 41.018 1.00 4.90 ? 82 VAL X C 1 ATOM 624 O O . VAL A 1 78 ? 13.566 32.819 41.158 1.00 5.78 ? 82 VAL X O 1 ATOM 625 C CB . VAL A 1 78 ? 13.228 35.236 39.288 1.00 5.39 ? 82 VAL X CB 1 ATOM 626 C CG1 . VAL A 1 78 ? 12.548 34.386 38.213 1.00 6.94 ? 82 VAL X CG1 1 ATOM 627 C CG2 . VAL A 1 78 ? 13.096 36.712 38.939 1.00 6.54 ? 82 VAL X CG2 1 ATOM 628 N N . MET A 1 79 ? 11.314 32.970 41.127 1.00 4.38 ? 83 MET X N 1 ATOM 629 C CA . MET A 1 79 ? 11.042 31.582 41.470 1.00 4.32 ? 83 MET X CA 1 ATOM 630 C C . MET A 1 79 ? 10.297 30.907 40.331 1.00 4.52 ? 83 MET X C 1 ATOM 631 O O . MET A 1 79 ? 9.803 31.576 39.411 1.00 4.61 ? 83 MET X O 1 ATOM 632 C CB . MET A 1 79 ? 10.119 31.516 42.687 1.00 4.76 ? 83 MET X CB 1 ATOM 633 C CG . MET A 1 79 ? 10.695 32.121 43.942 1.00 4.67 ? 83 MET X CG 1 ATOM 634 S SD . MET A 1 79 ? 9.522 32.255 45.300 1.00 6.29 ? 83 MET X SD 1 ATOM 635 C CE . MET A 1 79 ? 9.143 30.514 45.622 1.00 8.12 ? 83 MET X CE 1 ATOM 636 N N . GLY A 1 80 ? 10.201 29.585 40.403 1.00 4.64 ? 84 GLY X N 1 ATOM 637 C CA . GLY A 1 80 ? 9.276 28.838 39.566 1.00 5.09 ? 84 GLY X CA 1 ATOM 638 C C . GLY A 1 80 ? 8.149 28.288 40.422 1.00 4.94 ? 84 GLY X C 1 ATOM 639 O O . GLY A 1 80 ? 8.260 28.263 41.663 1.00 4.81 ? 84 GLY X O 1 ATOM 640 N N . MET A 1 81 ? 7.070 27.857 39.765 1.00 4.39 ? 85 MET X N 1 ATOM 641 C CA . MET A 1 81 ? 6.064 27.009 40.394 1.00 4.62 ? 85 MET X CA 1 ATOM 642 C C . MET A 1 81 ? 5.868 25.815 39.494 1.00 3.96 ? 85 MET X C 1 ATOM 643 O O . MET A 1 81 ? 5.830 25.952 38.263 1.00 4.61 ? 85 MET X O 1 ATOM 644 C CB . MET A 1 81 ? 4.749 27.746 40.611 1.00 4.34 ? 85 MET X CB 1 ATOM 645 C CG . MET A 1 81 ? 3.616 26.870 41.115 1.00 5.13 ? 85 MET X CG 1 ATOM 646 S SD . MET A 1 81 ? 2.551 26.212 39.791 1.00 5.54 ? 85 MET X SD 1 ATOM 647 C CE . MET A 1 81 ? 1.415 27.595 39.604 1.00 7.24 ? 85 MET X CE 1 ATOM 648 N N . VAL A 1 82 ? 5.789 24.649 40.118 1.00 4.60 ? 86 VAL X N 1 ATOM 649 C CA . VAL A 1 82 ? 5.450 23.403 39.439 1.00 5.41 ? 86 VAL X CA 1 ATOM 650 C C . VAL A 1 82 ? 4.090 22.916 39.954 1.00 5.66 ? 86 VAL X C 1 ATOM 651 O O . VAL A 1 82 ? 3.782 23.031 41.155 1.00 5.77 ? 86 VAL X O 1 ATOM 652 C CB . VAL A 1 82 ? 6.573 22.329 39.627 1.00 5.10 ? 86 VAL X CB 1 ATOM 653 C CG1 . VAL A 1 82 ? 6.832 22.043 41.095 1.00 6.75 ? 86 VAL X CG1 1 ATOM 654 C CG2 . VAL A 1 82 ? 6.270 21.036 38.860 1.00 6.43 ? 86 VAL X CG2 1 ATOM 655 N N . GLY A 1 83 ? 3.282 22.391 39.035 1.00 6.43 ? 87 GLY X N 1 ATOM 656 C CA . GLY A 1 83 ? 1.954 21.882 39.365 1.00 7.46 ? 87 GLY X CA 1 ATOM 657 C C . GLY A 1 83 ? 0.845 22.756 38.835 1.00 7.95 ? 87 GLY X C 1 ATOM 658 O O . GLY A 1 83 ? 0.757 22.988 37.621 1.00 8.01 ? 87 GLY X O 1 ATOM 659 N N . GLY A 1 84 ? 0.016 23.266 39.742 1.00 8.21 ? 88 GLY X N 1 ATOM 660 C CA . GLY A 1 84 ? -1.171 24.023 39.374 1.00 8.94 ? 88 GLY X CA 1 ATOM 661 C C . GLY A 1 84 ? -2.256 23.118 38.820 1.00 9.18 ? 88 GLY X C 1 ATOM 662 O O . GLY A 1 84 ? -2.340 21.935 39.163 1.00 9.42 ? 88 GLY X O 1 ATOM 663 N N . ALA A 1 85 ? -3.072 23.681 37.935 1.00 10.47 ? 89 ALA X N 1 ATOM 664 C CA . ALA A 1 85 ? -4.283 23.020 37.437 1.00 11.05 ? 89 ALA X CA 1 ATOM 665 C C . ALA A 1 85 ? -4.044 21.718 36.658 1.00 10.99 ? 89 ALA X C 1 ATOM 666 O O . ALA A 1 85 ? -4.821 20.776 36.783 1.00 11.52 ? 89 ALA X O 1 ATOM 667 C CB . ALA A 1 85 ? -5.102 23.996 36.590 1.00 11.66 ? 89 ALA X CB 1 ATOM 668 N N . ALA A 1 86 ? -2.981 21.670 35.859 1.00 10.53 ? 90 ALA X N 1 ATOM 669 C CA . ALA A 1 86 ? -2.749 20.513 34.999 1.00 10.98 ? 90 ALA X CA 1 ATOM 670 C C . ALA A 1 86 ? -2.229 19.332 35.827 1.00 10.46 ? 90 ALA X C 1 ATOM 671 O O . ALA A 1 86 ? -1.179 19.441 36.459 1.00 10.70 ? 90 ALA X O 1 ATOM 672 C CB . ALA A 1 86 ? -1.793 20.867 33.886 1.00 11.61 ? 90 ALA X CB 1 ATOM 673 N N . PRO A 1 87 ? -2.969 18.202 35.843 1.00 10.24 ? 91 PRO X N 1 ATOM 674 C CA . PRO A 1 87 ? -2.512 17.045 36.614 1.00 9.69 ? 91 PRO X CA 1 ATOM 675 C C . PRO A 1 87 ? -1.289 16.410 35.976 1.00 8.99 ? 91 PRO X C 1 ATOM 676 O O . PRO A 1 87 ? -1.072 16.562 34.771 1.00 9.39 ? 91 PRO X O 1 ATOM 677 C CB . PRO A 1 87 ? -3.685 16.054 36.513 1.00 9.79 ? 91 PRO X CB 1 ATOM 678 C CG . PRO A 1 87 ? -4.838 16.831 36.032 1.00 11.34 ? 91 PRO X CG 1 ATOM 679 C CD . PRO A 1 87 ? -4.268 17.941 35.197 1.00 10.24 ? 91 PRO X CD 1 ATOM 680 N N . GLY A 1 88 ? -0.497 15.703 36.770 1.00 8.92 ? 92 GLY X N 1 ATOM 681 C CA . GLY A 1 88 ? 0.611 14.931 36.229 1.00 8.84 ? 92 GLY X CA 1 ATOM 682 C C . GLY A 1 88 ? 1.947 15.071 36.932 1.00 8.82 ? 92 GLY X C 1 ATOM 683 O O . GLY A 1 88 ? 2.793 14.180 36.823 1.00 9.10 ? 92 GLY X O 1 ATOM 684 N N . SER A 1 89 ? 2.146 16.170 37.665 1.00 7.98 ? 93 SER X N 1 ATOM 685 C CA . SER A 1 89 ? 3.443 16.438 38.284 1.00 7.68 ? 93 SER X CA 1 ATOM 686 C C . SER A 1 89 ? 3.642 15.727 39.625 1.00 7.61 ? 93 SER X C 1 ATOM 687 O O . SER A 1 89 ? 4.778 15.515 40.042 1.00 7.94 ? 93 SER X O 1 ATOM 688 C CB . SER A 1 89 ? 3.666 17.944 38.471 1.00 7.62 ? 93 SER X CB 1 ATOM 689 O OG . SER A 1 89 ? 3.731 18.615 37.227 1.00 7.05 ? 93 SER X OG 1 ATOM 690 N N . PHE A 1 90 ? 2.541 15.358 40.281 1.00 7.74 ? 94 PHE X N 1 ATOM 691 C CA . PHE A 1 90 ? 2.598 14.877 41.667 1.00 7.90 ? 94 PHE X CA 1 ATOM 692 C C . PHE A 1 90 ? 1.948 13.516 41.856 1.00 8.47 ? 94 PHE X C 1 ATOM 693 O O . PHE A 1 90 ? 1.582 13.152 42.975 1.00 8.64 ? 94 PHE X O 1 ATOM 694 C CB . PHE A 1 90 ? 1.942 15.894 42.623 1.00 7.82 ? 94 PHE X CB 1 ATOM 695 C CG . PHE A 1 90 ? 2.523 17.279 42.537 1.00 7.27 ? 94 PHE X CG 1 ATOM 696 C CD1 . PHE A 1 90 ? 3.864 17.526 42.846 1.00 7.41 ? 94 PHE X CD1 1 ATOM 697 C CD2 . PHE A 1 90 ? 1.723 18.341 42.137 1.00 7.93 ? 94 PHE X CD2 1 ATOM 698 C CE1 . PHE A 1 90 ? 4.389 18.811 42.754 1.00 8.42 ? 94 PHE X CE1 1 ATOM 699 C CE2 . PHE A 1 90 ? 2.244 19.615 42.042 1.00 8.59 ? 94 PHE X CE2 1 ATOM 700 C CZ . PHE A 1 90 ? 3.564 19.851 42.345 1.00 8.16 ? 94 PHE X CZ 1 ATOM 701 N N . ASN A 1 91 ? 1.792 12.762 40.773 1.00 9.06 ? 95 ASN X N 1 ATOM 702 C CA . ASN A 1 91 ? 1.158 11.455 40.886 1.00 9.79 ? 95 ASN X CA 1 ATOM 703 C C . ASN A 1 91 ? 2.178 10.320 40.993 1.00 9.31 ? 95 ASN X C 1 ATOM 704 O O . ASN A 1 91 ? 3.388 10.552 41.011 1.00 8.52 ? 95 ASN X O 1 ATOM 705 C CB . ASN A 1 91 ? 0.090 11.228 39.792 1.00 10.32 ? 95 ASN X CB 1 ATOM 706 C CG . ASN A 1 91 ? 0.672 11.139 38.381 1.00 10.55 ? 95 ASN X CG 1 ATOM 707 O OD1 . ASN A 1 91 ? 0.000 11.481 37.399 1.00 13.65 ? 95 ASN X OD1 1 ATOM 708 N ND2 . ASN A 1 91 ? 1.889 10.668 38.270 1.00 9.95 ? 95 ASN X ND2 1 ATOM 709 N N . THR A 1 92 ? 1.673 9.095 41.106 1.00 10.16 ? 96 THR X N 1 ATOM 710 C CA . THR A 1 92 ? 2.532 7.925 41.305 1.00 11.26 ? 96 THR X CA 1 ATOM 711 C C . THR A 1 92 ? 3.396 7.558 40.079 1.00 11.05 ? 96 THR X C 1 ATOM 712 O O . THR A 1 92 ? 4.272 6.694 40.172 1.00 11.53 ? 96 THR X O 1 ATOM 713 C CB . THR A 1 92 ? 1.718 6.696 41.777 1.00 11.91 ? 96 THR X CB 1 ATOM 714 O OG1 . THR A 1 92 ? 0.590 6.510 40.919 1.00 14.09 ? 96 THR X OG1 1 ATOM 715 C CG2 . THR A 1 92 ? 1.229 6.901 43.206 1.00 13.22 ? 96 THR X CG2 1 ATOM 716 N N . GLN A 1 93 ? 3.150 8.222 38.953 1.00 10.67 ? 97 GLN X N 1 ATOM 717 C CA . GLN A 1 93 ? 3.941 8.034 37.728 1.00 10.70 ? 97 GLN X CA 1 ATOM 718 C C . GLN A 1 93 ? 5.155 8.966 37.704 1.00 9.90 ? 97 GLN X C 1 ATOM 719 O O . GLN A 1 93 ? 6.111 8.737 36.955 1.00 10.19 ? 97 GLN X O 1 ATOM 720 C CB . GLN A 1 93 ? 3.074 8.255 36.482 1.00 11.68 ? 97 GLN X CB 1 ATOM 721 C CG . GLN A 1 93 ? 2.159 7.088 36.138 1.00 14.91 ? 97 GLN X CG 1 ATOM 722 C CD . GLN A 1 93 ? 1.007 6.914 37.108 1.00 18.86 ? 97 GLN X CD 1 ATOM 723 O OE1 . GLN A 1 93 ? 0.973 5.956 37.882 1.00 22.25 ? 97 GLN X OE1 1 ATOM 724 N NE2 . GLN A 1 93 ? 0.055 7.843 37.072 1.00 20.02 ? 97 GLN X NE2 1 ATOM 725 N N . THR A 1 94 ? 5.118 10.022 38.520 1.00 8.66 ? 98 THR X N 1 ATOM 726 C CA . THR A 1 94 ? 6.182 11.026 38.525 1.00 8.27 ? 98 THR X CA 1 ATOM 727 C C . THR A 1 94 ? 6.716 11.263 39.949 1.00 7.83 ? 98 THR X C 1 ATOM 728 O O . THR A 1 94 ? 7.368 10.382 40.513 1.00 8.25 ? 98 THR X O 1 ATOM 729 C CB . THR A 1 94 ? 5.750 12.328 37.808 1.00 8.38 ? 98 THR X CB 1 ATOM 730 O OG1 . THR A 1 94 ? 4.591 12.858 38.451 1.00 8.77 ? 98 THR X OG1 1 ATOM 731 C CG2 . THR A 1 94 ? 5.431 12.062 36.334 1.00 9.18 ? 98 THR X CG2 1 ATOM 732 N N . LEU A 1 95 ? 6.446 12.427 40.543 1.00 7.40 ? 99 LEU X N 1 ATOM 733 C CA . LEU A 1 95 ? 7.125 12.784 41.794 1.00 7.60 ? 99 LEU X CA 1 ATOM 734 C C . LEU A 1 95 ? 6.586 12.060 43.031 1.00 7.65 ? 99 LEU X C 1 ATOM 735 O O . LEU A 1 95 ? 7.217 12.093 44.079 1.00 8.14 ? 99 LEU X O 1 ATOM 736 C CB . LEU A 1 95 ? 7.160 14.308 41.997 1.00 6.98 ? 99 LEU X CB 1 ATOM 737 C CG . LEU A 1 95 ? 7.921 15.160 40.967 1.00 8.12 ? 99 LEU X CG 1 ATOM 738 C CD1 . LEU A 1 95 ? 7.768 16.638 41.306 1.00 9.41 ? 99 LEU X CD1 1 ATOM 739 C CD2 . LEU A 1 95 ? 9.389 14.779 40.894 1.00 8.17 ? 99 LEU X CD2 1 ATOM 740 N N . ASP A 1 96 ? 5.435 11.398 42.897 1.00 8.46 ? 100 ASP X N 1 ATOM 741 C CA . ASP A 1 96 ? 4.916 10.553 43.975 1.00 9.10 ? 100 ASP X CA 1 ATOM 742 C C . ASP A 1 96 ? 5.209 9.076 43.707 1.00 10.00 ? 100 ASP X C 1 ATOM 743 O O . ASP A 1 96 ? 4.573 8.211 44.305 1.00 10.94 ? 100 ASP X O 1 ATOM 744 C CB . ASP A 1 96 ? 3.406 10.771 44.161 1.00 9.27 ? 100 ASP X CB 1 ATOM 745 C CG . ASP A 1 96 ? 2.934 10.537 45.589 1.00 9.10 ? 100 ASP X CG 1 ATOM 746 O OD1 . ASP A 1 96 ? 3.767 10.522 46.509 1.00 9.04 ? 100 ASP X OD1 1 ATOM 747 O OD2 . ASP A 1 96 ? 1.706 10.405 45.765 1.00 8.34 ? 100 ASP X OD2 1 ATOM 748 N N . SER A 1 97 ? 6.171 8.783 42.829 1.00 10.35 ? 101 SER X N 1 ATOM 749 C CA . SER A 1 97 ? 6.437 7.385 42.465 1.00 11.15 ? 101 SER X CA 1 ATOM 750 C C . SER A 1 97 ? 7.055 6.590 43.599 1.00 11.84 ? 101 SER X C 1 ATOM 751 O O . SER A 1 97 ? 8.019 7.047 44.207 1.00 11.39 ? 101 SER X O 1 ATOM 752 C CB . SER A 1 97 ? 7.383 7.284 41.273 1.00 10.92 ? 101 SER X CB 1 ATOM 753 O OG . SER A 1 97 ? 7.626 5.917 40.960 1.00 10.86 ? 101 SER X OG 1 ATOM 754 N N . PRO A 1 98 ? 6.538 5.364 43.843 1.00 12.83 ? 102 PRO X N 1 ATOM 755 C CA . PRO A 1 98 ? 7.178 4.463 44.803 1.00 13.33 ? 102 PRO X CA 1 ATOM 756 C C . PRO A 1 98 ? 8.397 3.718 44.221 1.00 13.89 ? 102 PRO X C 1 ATOM 757 O O . PRO A 1 98 ? 9.061 2.951 44.937 1.00 14.35 ? 102 PRO X O 1 ATOM 758 C CB . PRO A 1 98 ? 6.057 3.480 45.149 1.00 13.67 ? 102 PRO X CB 1 ATOM 759 C CG . PRO A 1 98 ? 5.237 3.406 43.926 1.00 13.61 ? 102 PRO X CG 1 ATOM 760 C CD . PRO A 1 98 ? 5.302 4.780 43.287 1.00 12.81 ? 102 PRO X CD 1 ATOM 761 N N . ASP A 1 99 ? 8.680 3.943 42.939 1.00 13.70 ? 103 ASP X N 1 ATOM 762 C CA . ASP A 1 99 ? 9.862 3.391 42.272 1.00 13.64 ? 103 ASP X CA 1 ATOM 763 C C . ASP A 1 99 ? 10.991 4.416 42.358 1.00 13.48 ? 103 ASP X C 1 ATOM 764 O O . ASP A 1 99 ? 10.888 5.498 41.777 1.00 12.69 ? 103 ASP X O 1 ATOM 765 C CB . ASP A 1 99 ? 9.538 3.066 40.808 1.00 13.84 ? 103 ASP X CB 1 ATOM 766 C CG . ASP A 1 99 ? 10.699 2.435 40.080 1.00 13.70 ? 103 ASP X CG 1 ATOM 767 O OD1 . ASP A 1 99 ? 10.896 1.208 40.222 1.00 15.59 ? 103 ASP X OD1 1 ATOM 768 O OD2 . ASP A 1 99 ? 11.419 3.160 39.359 1.00 13.67 ? 103 ASP X OD2 1 ATOM 769 N N . SER A 1 100 ? 12.064 4.074 43.069 1.00 13.26 ? 104 SER X N 1 ATOM 770 C CA A SER A 1 100 ? 13.155 5.011 43.335 0.50 13.29 ? 104 SER X CA 1 ATOM 771 C CA B SER A 1 100 ? 13.146 5.015 43.336 0.50 13.43 ? 104 SER X CA 1 ATOM 772 C C . SER A 1 100 ? 13.752 5.610 42.064 1.00 13.23 ? 104 SER X C 1 ATOM 773 O O . SER A 1 100 ? 13.969 6.819 41.990 1.00 13.32 ? 104 SER X O 1 ATOM 774 C CB A SER A 1 100 ? 14.250 4.353 44.177 0.50 13.32 ? 104 SER X CB 1 ATOM 775 C CB B SER A 1 100 ? 14.216 4.364 44.214 0.50 13.47 ? 104 SER X CB 1 ATOM 776 O OG A SER A 1 100 ? 15.269 5.289 44.483 0.50 13.47 ? 104 SER X OG 1 ATOM 777 O OG B SER A 1 100 ? 13.662 3.978 45.461 0.50 14.49 ? 104 SER X OG 1 ATOM 778 N N . ALA A 1 101 ? 14.014 4.769 41.064 1.00 12.56 ? 105 ALA X N 1 ATOM 779 C CA . ALA A 1 101 ? 14.601 5.249 39.814 1.00 12.58 ? 105 ALA X CA 1 ATOM 780 C C . ALA A 1 101 ? 13.689 6.232 39.087 1.00 11.62 ? 105 ALA X C 1 ATOM 781 O O . ALA A 1 101 ? 14.171 7.215 38.513 1.00 11.89 ? 105 ALA X O 1 ATOM 782 C CB . ALA A 1 101 ? 14.952 4.091 38.898 1.00 12.59 ? 105 ALA X CB 1 ATOM 783 N N . THR A 1 102 ? 12.386 5.944 39.103 1.00 10.62 ? 106 THR X N 1 ATOM 784 C CA . THR A 1 102 ? 11.377 6.829 38.518 1.00 10.66 ? 106 THR X CA 1 ATOM 785 C C . THR A 1 102 ? 11.390 8.178 39.240 1.00 10.12 ? 106 THR X C 1 ATOM 786 O O . THR A 1 102 ? 11.503 9.221 38.596 1.00 9.73 ? 106 THR X O 1 ATOM 787 C CB . THR A 1 102 ? 9.981 6.184 38.547 1.00 10.70 ? 106 THR X CB 1 ATOM 788 O OG1 . THR A 1 102 ? 10.012 4.985 37.767 1.00 11.37 ? 106 THR X OG1 1 ATOM 789 C CG2 . THR A 1 102 ? 8.938 7.117 37.971 1.00 11.76 ? 106 THR X CG2 1 ATOM 790 N N . PHE A 1 103 ? 11.317 8.164 40.572 1.00 9.84 ? 107 PHE X N 1 ATOM 791 C CA . PHE A 1 103 ? 11.434 9.409 41.327 1.00 9.43 ? 107 PHE X CA 1 ATOM 792 C C . PHE A 1 103 ? 12.709 10.171 40.998 1.00 9.56 ? 107 PHE X C 1 ATOM 793 O O . PHE A 1 103 ? 12.643 11.356 40.676 1.00 10.02 ? 107 PHE X O 1 ATOM 794 C CB . PHE A 1 103 ? 11.316 9.214 42.839 1.00 9.91 ? 107 PHE X CB 1 ATOM 795 C CG . PHE A 1 103 ? 11.559 10.489 43.604 1.00 9.51 ? 107 PHE X CG 1 ATOM 796 C CD1 . PHE A 1 103 ? 10.587 11.496 43.642 1.00 8.45 ? 107 PHE X CD1 1 ATOM 797 C CD2 . PHE A 1 103 ? 12.781 10.715 44.218 1.00 10.41 ? 107 PHE X CD2 1 ATOM 798 C CE1 . PHE A 1 103 ? 10.834 12.693 44.297 1.00 9.70 ? 107 PHE X CE1 1 ATOM 799 C CE2 . PHE A 1 103 ? 13.027 11.907 44.894 1.00 11.12 ? 107 PHE X CE2 1 ATOM 800 C CZ . PHE A 1 103 ? 12.050 12.892 44.925 1.00 9.43 ? 107 PHE X CZ 1 ATOM 801 N N . GLU A 1 104 ? 13.862 9.505 41.047 1.00 10.09 ? 108 GLU X N 1 ATOM 802 C CA . GLU A 1 104 ? 15.127 10.167 40.750 1.00 10.24 ? 108 GLU X CA 1 ATOM 803 C C . GLU A 1 104 ? 15.125 10.798 39.369 1.00 9.66 ? 108 GLU X C 1 ATOM 804 O O . GLU A 1 104 ? 15.681 11.880 39.168 1.00 10.01 ? 108 GLU X O 1 ATOM 805 C CB . GLU A 1 104 ? 16.307 9.199 40.873 1.00 10.88 ? 108 GLU X CB 1 ATOM 806 C CG . GLU A 1 104 ? 16.702 8.882 42.289 1.00 12.70 ? 108 GLU X CG 1 ATOM 807 C CD . GLU A 1 104 ? 17.300 10.068 43.031 1.00 13.67 ? 108 GLU X CD 1 ATOM 808 O OE1 . GLU A 1 104 ? 18.036 10.879 42.425 1.00 13.85 ? 108 GLU X OE1 1 ATOM 809 O OE2 . GLU A 1 104 ? 17.032 10.164 44.240 1.00 17.74 ? 108 GLU X OE2 1 ATOM 810 N N . HIS A 1 105 ? 14.519 10.103 38.409 1.00 8.69 ? 109 HIS X N 1 ATOM 811 C CA . HIS A 1 105 ? 14.487 10.583 37.041 1.00 7.57 ? 109 HIS X CA 1 ATOM 812 C C . HIS A 1 105 ? 13.711 11.902 36.943 1.00 7.41 ? 109 HIS X C 1 ATOM 813 O O . HIS A 1 105 ? 14.205 12.882 36.378 1.00 7.14 ? 109 HIS X O 1 ATOM 814 C CB . HIS A 1 105 ? 13.890 9.531 36.102 1.00 8.32 ? 109 HIS X CB 1 ATOM 815 C CG . HIS A 1 105 ? 13.639 10.037 34.717 1.00 7.86 ? 109 HIS X CG 1 ATOM 816 N ND1 . HIS A 1 105 ? 14.661 10.323 33.836 1.00 9.44 ? 109 HIS X ND1 1 ATOM 817 C CD2 . HIS A 1 105 ? 12.489 10.315 34.063 1.00 8.96 ? 109 HIS X CD2 1 ATOM 818 C CE1 . HIS A 1 105 ? 14.148 10.759 32.702 1.00 9.29 ? 109 HIS X CE1 1 ATOM 819 N NE2 . HIS A 1 105 ? 12.831 10.756 32.807 1.00 9.56 ? 109 HIS X NE2 1 ATOM 820 N N . TYR A 1 106 ? 12.494 11.921 37.480 1.00 6.40 ? 110 TYR X N 1 ATOM 821 C CA . TYR A 1 106 ? 11.643 13.104 37.363 1.00 6.65 ? 110 TYR X CA 1 ATOM 822 C C . TYR A 1 106 ? 12.083 14.223 38.302 1.00 6.56 ? 110 TYR X C 1 ATOM 823 O O . TYR A 1 106 ? 12.074 15.401 37.918 1.00 6.58 ? 110 TYR X O 1 ATOM 824 C CB . TYR A 1 106 ? 10.151 12.742 37.488 1.00 6.75 ? 110 TYR X CB 1 ATOM 825 C CG . TYR A 1 106 ? 9.707 11.885 36.333 1.00 7.27 ? 110 TYR X CG 1 ATOM 826 C CD1 . TYR A 1 106 ? 9.655 12.412 35.047 1.00 6.75 ? 110 TYR X CD1 1 ATOM 827 C CD2 . TYR A 1 106 ? 9.400 10.537 36.511 1.00 7.61 ? 110 TYR X CD2 1 ATOM 828 C CE1 . TYR A 1 106 ? 9.281 11.631 33.965 1.00 8.60 ? 110 TYR X CE1 1 ATOM 829 C CE2 . TYR A 1 106 ? 9.034 9.743 35.428 1.00 7.49 ? 110 TYR X CE2 1 ATOM 830 C CZ . TYR A 1 106 ? 8.978 10.308 34.162 1.00 7.70 ? 110 TYR X CZ 1 ATOM 831 O OH . TYR A 1 106 ? 8.627 9.533 33.088 1.00 8.90 ? 110 TYR X OH 1 ATOM 832 N N . TYR A 1 107 ? 12.481 13.854 39.514 1.00 6.47 ? 111 TYR X N 1 ATOM 833 C CA . TYR A 1 107 ? 13.067 14.834 40.419 1.00 6.34 ? 111 TYR X CA 1 ATOM 834 C C . TYR A 1 107 ? 14.314 15.475 39.764 1.00 6.65 ? 111 TYR X C 1 ATOM 835 O O . TYR A 1 107 ? 14.509 16.696 39.821 1.00 7.11 ? 111 TYR X O 1 ATOM 836 C CB . TYR A 1 107 ? 13.409 14.245 41.805 1.00 6.30 ? 111 TYR X CB 1 ATOM 837 C CG . TYR A 1 107 ? 14.216 15.247 42.576 1.00 6.24 ? 111 TYR X CG 1 ATOM 838 C CD1 . TYR A 1 107 ? 13.582 16.344 43.175 1.00 6.84 ? 111 TYR X CD1 1 ATOM 839 C CD2 . TYR A 1 107 ? 15.619 15.180 42.606 1.00 6.98 ? 111 TYR X CD2 1 ATOM 840 C CE1 . TYR A 1 107 ? 14.316 17.318 43.819 1.00 7.14 ? 111 TYR X CE1 1 ATOM 841 C CE2 . TYR A 1 107 ? 16.354 16.158 43.238 1.00 6.79 ? 111 TYR X CE2 1 ATOM 842 C CZ . TYR A 1 107 ? 15.686 17.221 43.850 1.00 6.77 ? 111 TYR X CZ 1 ATOM 843 O OH . TYR A 1 107 ? 16.419 18.182 44.499 1.00 8.06 ? 111 TYR X OH 1 ATOM 844 N N . GLY A 1 108 ? 15.146 14.651 39.122 1.00 7.08 ? 112 GLY X N 1 ATOM 845 C CA . GLY A 1 108 ? 16.356 15.151 38.475 1.00 6.95 ? 112 GLY X CA 1 ATOM 846 C C . GLY A 1 108 ? 16.025 16.196 37.421 1.00 6.99 ? 112 GLY X C 1 ATOM 847 O O . GLY A 1 108 ? 16.732 17.191 37.278 1.00 7.64 ? 112 GLY X O 1 ATOM 848 N N . GLN A 1 109 ? 14.940 15.977 36.686 1.00 6.92 ? 113 GLN X N 1 ATOM 849 C CA . GLN A 1 109 ? 14.474 16.970 35.714 1.00 7.86 ? 113 GLN X CA 1 ATOM 850 C C . GLN A 1 109 ? 14.091 18.302 36.375 1.00 8.13 ? 113 GLN X C 1 ATOM 851 O O . GLN A 1 109 ? 14.422 19.378 35.864 1.00 7.92 ? 113 GLN X O 1 ATOM 852 C CB . GLN A 1 109 ? 13.286 16.442 34.922 1.00 8.29 ? 113 GLN X CB 1 ATOM 853 C CG . GLN A 1 109 ? 13.586 15.292 33.952 1.00 8.94 ? 113 GLN X CG 1 ATOM 854 C CD . GLN A 1 109 ? 12.351 14.911 33.160 1.00 9.07 ? 113 GLN X CD 1 ATOM 855 O OE1 . GLN A 1 109 ? 11.232 15.203 33.571 1.00 10.95 ? 113 GLN X OE1 1 ATOM 856 N NE2 . GLN A 1 109 ? 12.542 14.260 32.023 1.00 10.29 ? 113 GLN X NE2 1 ATOM 857 N N . LEU A 1 110 ? 13.393 18.230 37.503 1.00 7.69 ? 114 LEU X N 1 ATOM 858 C CA . LEU A 1 110 ? 13.019 19.444 38.237 1.00 7.35 ? 114 LEU X CA 1 ATOM 859 C C . LEU A 1 110 ? 14.259 20.177 38.750 1.00 6.98 ? 114 LEU X C 1 ATOM 860 O O . LEU A 1 110 ? 14.388 21.387 38.572 1.00 6.63 ? 114 LEU X O 1 ATOM 861 C CB . LEU A 1 110 ? 12.052 19.111 39.385 1.00 7.17 ? 114 LEU X CB 1 ATOM 862 C CG . LEU A 1 110 ? 11.570 20.281 40.254 1.00 7.56 ? 114 LEU X CG 1 ATOM 863 C CD1 . LEU A 1 110 ? 10.762 21.297 39.429 1.00 9.74 ? 114 LEU X CD1 1 ATOM 864 C CD2 . LEU A 1 110 ? 10.763 19.775 41.448 1.00 6.91 ? 114 LEU X CD2 1 ATOM 865 N N . ARG A 1 111 ? 15.172 19.430 39.365 1.00 6.84 ? 115 ARG X N 1 ATOM 866 C CA . ARG A 1 111 ? 16.429 19.974 39.866 1.00 7.57 ? 115 ARG X CA 1 ATOM 867 C C . ARG A 1 111 ? 17.204 20.640 38.728 1.00 8.06 ? 115 ARG X C 1 ATOM 868 O O . ARG A 1 111 ? 17.687 21.771 38.870 1.00 8.08 ? 115 ARG X O 1 ATOM 869 C CB . ARG A 1 111 ? 17.251 18.849 40.511 1.00 7.55 ? 115 ARG X CB 1 ATOM 870 C CG . ARG A 1 111 ? 18.645 19.246 40.974 1.00 9.48 ? 115 ARG X CG 1 ATOM 871 C CD . ARG A 1 111 ? 19.589 18.045 41.087 1.00 12.05 ? 115 ARG X CD 1 ATOM 872 N NE . ARG A 1 111 ? 19.794 17.402 39.791 1.00 14.14 ? 115 ARG X NE 1 ATOM 873 C CZ . ARG A 1 111 ? 19.708 16.091 39.574 1.00 13.08 ? 115 ARG X CZ 1 ATOM 874 N NH1 . ARG A 1 111 ? 19.451 15.255 40.582 1.00 13.05 ? 115 ARG X NH1 1 ATOM 875 N NH2 . ARG A 1 111 ? 19.895 15.613 38.349 1.00 13.88 ? 115 ARG X NH2 1 ATOM 876 N N . ASP A 1 112 ? 17.312 19.938 37.598 1.00 8.37 ? 116 ASP X N 1 ATOM 877 C CA . ASP A 1 112 ? 18.023 20.458 36.427 1.00 9.22 ? 116 ASP X CA 1 ATOM 878 C C . ASP A 1 112 ? 17.413 21.747 35.893 1.00 8.96 ? 116 ASP X C 1 ATOM 879 O O . ASP A 1 112 ? 18.135 22.628 35.456 1.00 8.30 ? 116 ASP X O 1 ATOM 880 C CB . ASP A 1 112 ? 18.087 19.420 35.298 1.00 10.03 ? 116 ASP X CB 1 ATOM 881 C CG . ASP A 1 112 ? 19.039 18.271 35.589 1.00 13.30 ? 116 ASP X CG 1 ATOM 882 O OD1 . ASP A 1 112 ? 19.803 18.344 36.569 1.00 13.97 ? 116 ASP X OD1 1 ATOM 883 O OD2 . ASP A 1 112 ? 19.014 17.296 34.808 1.00 16.37 ? 116 ASP X OD2 1 ATOM 884 N N . ALA A 1 113 ? 16.090 21.843 35.908 1.00 8.44 ? 117 ALA X N 1 ATOM 885 C CA . ALA A 1 113 ? 15.420 23.048 35.423 1.00 8.30 ? 117 ALA X CA 1 ATOM 886 C C . ALA A 1 113 ? 15.709 24.220 36.359 1.00 7.67 ? 117 ALA X C 1 ATOM 887 O O . ALA A 1 113 ? 15.989 25.339 35.906 1.00 8.00 ? 117 ALA X O 1 ATOM 888 C CB . ALA A 1 113 ? 13.934 22.808 35.292 1.00 8.49 ? 117 ALA X CB 1 ATOM 889 N N . ILE A 1 114 ? 15.667 23.971 37.666 1.00 7.11 ? 118 ILE X N 1 ATOM 890 C CA . ILE A 1 114 ? 16.004 25.002 38.626 1.00 7.35 ? 118 ILE X CA 1 ATOM 891 C C . ILE A 1 114 ? 17.421 25.560 38.381 1.00 7.96 ? 118 ILE X C 1 ATOM 892 O O . ILE A 1 114 ? 17.638 26.783 38.413 1.00 7.68 ? 118 ILE X O 1 ATOM 893 C CB . ILE A 1 114 ? 15.856 24.473 40.065 1.00 6.62 ? 118 ILE X CB 1 ATOM 894 C CG1 . ILE A 1 114 ? 14.375 24.226 40.383 1.00 7.37 ? 118 ILE X CG1 1 ATOM 895 C CG2 . ILE A 1 114 ? 16.486 25.441 41.051 1.00 6.98 ? 118 ILE X CG2 1 ATOM 896 C CD1 . ILE A 1 114 ? 14.148 23.295 41.553 1.00 7.46 ? 118 ILE X CD1 1 ATOM 897 N N . VAL A 1 115 ? 18.383 24.668 38.149 1.00 8.25 ? 119 VAL X N 1 ATOM 898 C CA . VAL A 1 115 ? 19.769 25.075 37.886 1.00 8.39 ? 119 VAL X CA 1 ATOM 899 C C . VAL A 1 115 ? 19.859 25.799 36.542 1.00 8.36 ? 119 VAL X C 1 ATOM 900 O O . VAL A 1 115 ? 20.436 26.898 36.466 1.00 8.88 ? 119 VAL X O 1 ATOM 901 C CB . VAL A 1 115 ? 20.727 23.861 37.898 1.00 8.64 ? 119 VAL X CB 1 ATOM 902 C CG1 . VAL A 1 115 ? 22.107 24.237 37.371 1.00 10.63 ? 119 VAL X CG1 1 ATOM 903 C CG2 . VAL A 1 115 ? 20.831 23.294 39.300 1.00 9.43 ? 119 VAL X CG2 1 ATOM 904 N N . ASN A 1 116 ? 19.290 25.200 35.497 1.00 8.69 ? 120 ASN X N 1 ATOM 905 C CA . ASN A 1 116 ? 19.449 25.731 34.141 1.00 9.31 ? 120 ASN X CA 1 ATOM 906 C C . ASN A 1 116 ? 18.812 27.101 33.946 1.00 8.93 ? 120 ASN X C 1 ATOM 907 O O . ASN A 1 116 ? 19.315 27.921 33.166 1.00 9.06 ? 120 ASN X O 1 ATOM 908 C CB . ASN A 1 116 ? 18.924 24.749 33.093 1.00 10.15 ? 120 ASN X CB 1 ATOM 909 C CG . ASN A 1 116 ? 19.779 23.494 32.977 1.00 11.99 ? 120 ASN X CG 1 ATOM 910 O OD1 . ASN A 1 116 ? 20.979 23.510 33.248 1.00 15.34 ? 120 ASN X OD1 1 ATOM 911 N ND2 . ASN A 1 116 ? 19.156 22.400 32.567 1.00 13.85 ? 120 ASN X ND2 1 ATOM 912 N N . PHE A 1 117 ? 17.713 27.357 34.651 1.00 8.05 ? 121 PHE X N 1 ATOM 913 C CA . PHE A 1 117 ? 16.974 28.612 34.478 1.00 7.89 ? 121 PHE X CA 1 ATOM 914 C C . PHE A 1 117 ? 17.216 29.570 35.627 1.00 7.57 ? 121 PHE X C 1 ATOM 915 O O . PHE A 1 117 ? 16.617 30.641 35.701 1.00 7.41 ? 121 PHE X O 1 ATOM 916 C CB . PHE A 1 117 ? 15.513 28.316 34.129 1.00 8.52 ? 121 PHE X CB 1 ATOM 917 C CG . PHE A 1 117 ? 15.410 27.581 32.835 1.00 8.80 ? 121 PHE X CG 1 ATOM 918 C CD1 . PHE A 1 117 ? 15.568 28.257 31.628 1.00 9.23 ? 121 PHE X CD1 1 ATOM 919 C CD2 . PHE A 1 117 ? 15.329 26.197 32.816 1.00 10.46 ? 121 PHE X CD2 1 ATOM 920 C CE1 . PHE A 1 117 ? 15.570 27.572 30.419 1.00 10.77 ? 121 PHE X CE1 1 ATOM 921 C CE2 . PHE A 1 117 ? 15.325 25.504 31.604 1.00 11.84 ? 121 PHE X CE2 1 ATOM 922 C CZ . PHE A 1 117 ? 15.448 26.201 30.408 1.00 11.09 ? 121 PHE X CZ 1 ATOM 923 N N . GLN A 1 118 ? 18.155 29.180 36.486 1.00 7.35 ? 122 GLN X N 1 ATOM 924 C CA . GLN A 1 118 ? 18.705 30.034 37.533 1.00 8.22 ? 122 GLN X CA 1 ATOM 925 C C . GLN A 1 118 ? 17.616 30.565 38.472 1.00 8.08 ? 122 GLN X C 1 ATOM 926 O O . GLN A 1 118 ? 17.609 31.735 38.873 1.00 8.40 ? 122 GLN X O 1 ATOM 927 C CB . GLN A 1 118 ? 19.590 31.137 36.924 1.00 9.05 ? 122 GLN X CB 1 ATOM 928 C CG . GLN A 1 118 ? 20.777 30.551 36.142 1.00 10.93 ? 122 GLN X CG 1 ATOM 929 C CD . GLN A 1 118 ? 21.675 31.583 35.481 1.00 13.39 ? 122 GLN X CD 1 ATOM 930 O OE1 . GLN A 1 118 ? 21.240 32.660 35.091 1.00 14.30 ? 122 GLN X OE1 1 ATOM 931 N NE2 . GLN A 1 118 ? 22.943 31.232 35.324 1.00 15.18 ? 122 GLN X NE2 1 ATOM 932 N N . LEU A 1 119 ? 16.718 29.661 38.848 1.00 7.36 ? 123 LEU X N 1 ATOM 933 C CA . LEU A 1 119 ? 15.622 30.004 39.746 1.00 7.45 ? 123 LEU X CA 1 ATOM 934 C C . LEU A 1 119 ? 16.093 30.074 41.181 1.00 6.72 ? 123 LEU X C 1 ATOM 935 O O . LEU A 1 119 ? 16.994 29.335 41.585 1.00 6.65 ? 123 LEU X O 1 ATOM 936 C CB . LEU A 1 119 ? 14.500 28.979 39.624 1.00 7.54 ? 123 LEU X CB 1 ATOM 937 C CG . LEU A 1 119 ? 13.881 28.850 38.230 1.00 7.34 ? 123 LEU X CG 1 ATOM 938 C CD1 . LEU A 1 119 ? 12.836 27.746 38.234 1.00 6.78 ? 123 LEU X CD1 1 ATOM 939 C CD2 . LEU A 1 119 ? 13.265 30.166 37.743 1.00 8.45 ? 123 LEU X CD2 1 ATOM 940 N N . GLU A 1 120 ? 15.477 30.956 41.951 1.00 6.16 ? 124 GLU X N 1 ATOM 941 C CA . GLU A 1 120 ? 15.882 31.188 43.330 1.00 6.34 ? 124 GLU X CA 1 ATOM 942 C C . GLU A 1 120 ? 14.959 30.506 44.324 1.00 5.49 ? 124 GLU X C 1 ATOM 943 O O . GLU A 1 120 ? 15.151 30.601 45.530 1.00 6.46 ? 124 GLU X O 1 ATOM 944 C CB . GLU A 1 120 ? 15.955 32.688 43.594 1.00 6.66 ? 124 GLU X CB 1 ATOM 945 C CG . GLU A 1 120 ? 16.918 33.347 42.616 1.00 9.20 ? 124 GLU X CG 1 ATOM 946 C CD . GLU A 1 120 ? 17.189 34.795 42.888 1.00 11.64 ? 124 GLU X CD 1 ATOM 947 O OE1 . GLU A 1 120 ? 16.287 35.638 42.678 1.00 10.33 ? 124 GLU X OE1 1 ATOM 948 O OE2 . GLU A 1 120 ? 18.330 35.104 43.284 1.00 15.29 ? 124 GLU X OE2 1 ATOM 949 N N . GLY A 1 121 ? 13.961 29.811 43.800 1.00 4.85 ? 125 GLY X N 1 ATOM 950 C CA . GLY A 1 121 ? 13.024 29.083 44.630 1.00 5.12 ? 125 GLY X CA 1 ATOM 951 C C . GLY A 1 121 ? 12.052 28.319 43.775 1.00 4.87 ? 125 GLY X C 1 ATOM 952 O O . GLY A 1 121 ? 11.998 28.480 42.557 1.00 5.42 ? 125 GLY X O 1 ATOM 953 N N . MET A 1 122 ? 11.306 27.446 44.432 1.00 4.44 ? 126 MET X N 1 ATOM 954 C CA . MET A 1 122 ? 10.276 26.648 43.798 1.00 4.22 ? 126 MET X CA 1 ATOM 955 C C . MET A 1 122 ? 9.032 26.574 44.686 1.00 3.94 ? 126 MET X C 1 ATOM 956 O O . MET A 1 122 ? 9.114 26.211 45.859 1.00 4.57 ? 126 MET X O 1 ATOM 957 C CB . MET A 1 122 ? 10.813 25.240 43.464 1.00 4.80 ? 126 MET X CB 1 ATOM 958 C CG . MET A 1 122 ? 9.836 24.339 42.689 1.00 5.93 ? 126 MET X CG 1 ATOM 959 S SD . MET A 1 122 ? 9.291 24.960 41.080 1.00 7.64 ? 126 MET X SD 1 ATOM 960 C CE . MET A 1 122 ? 10.871 25.358 40.348 1.00 7.22 ? 126 MET X CE 1 ATOM 961 N N . ASP A 1 123 ? 7.889 26.899 44.076 1.00 4.12 ? 127 ASP X N 1 ATOM 962 C CA . ASP A 1 123 ? 6.567 26.775 44.686 1.00 4.47 ? 127 ASP X CA 1 ATOM 963 C C . ASP A 1 123 ? 5.978 25.453 44.219 1.00 4.28 ? 127 ASP X C 1 ATOM 964 O O . ASP A 1 123 ? 5.944 25.162 43.023 1.00 4.71 ? 127 ASP X O 1 ATOM 965 C CB . ASP A 1 123 ? 5.683 27.953 44.241 1.00 4.34 ? 127 ASP X CB 1 ATOM 966 C CG . ASP A 1 123 ? 4.325 28.000 44.925 1.00 4.80 ? 127 ASP X CG 1 ATOM 967 O OD1 . ASP A 1 123 ? 4.219 27.858 46.165 1.00 4.74 ? 127 ASP X OD1 1 ATOM 968 O OD2 . ASP A 1 123 ? 3.330 28.229 44.208 1.00 6.62 ? 127 ASP X OD2 1 ATOM 969 N N . LEU A 1 124 ? 5.566 24.640 45.189 1.00 4.64 ? 128 LEU X N 1 ATOM 970 C CA A LEU A 1 124 ? 4.918 23.354 44.917 0.50 4.94 ? 128 LEU X CA 1 ATOM 971 C CA B LEU A 1 124 ? 4.933 23.355 44.941 0.50 4.96 ? 128 LEU X CA 1 ATOM 972 C C . LEU A 1 124 ? 3.420 23.551 45.097 1.00 5.14 ? 128 LEU X C 1 ATOM 973 O O . LEU A 1 124 ? 2.907 23.537 46.223 1.00 5.09 ? 128 LEU X O 1 ATOM 974 C CB A LEU A 1 124 ? 5.427 22.248 45.850 0.50 4.98 ? 128 LEU X CB 1 ATOM 975 C CB B LEU A 1 124 ? 5.478 22.327 45.942 0.50 5.09 ? 128 LEU X CB 1 ATOM 976 C CG A LEU A 1 124 ? 6.920 21.902 45.919 0.50 6.40 ? 128 LEU X CG 1 ATOM 977 C CG B LEU A 1 124 ? 6.997 22.061 45.927 0.50 6.35 ? 128 LEU X CG 1 ATOM 978 C CD1 A LEU A 1 124 ? 7.559 21.757 44.553 0.50 4.68 ? 128 LEU X CD1 1 ATOM 979 C CD1 B LEU A 1 124 ? 7.862 23.294 45.949 0.50 9.45 ? 128 LEU X CD1 1 ATOM 980 C CD2 A LEU A 1 124 ? 7.685 22.904 46.733 0.50 6.48 ? 128 LEU X CD2 1 ATOM 981 C CD2 B LEU A 1 124 ? 7.396 21.175 47.085 0.50 5.12 ? 128 LEU X CD2 1 ATOM 982 N N . ASP A 1 125 ? 2.735 23.786 43.976 1.00 4.89 ? 129 ASP X N 1 ATOM 983 C CA . ASP A 1 125 ? 1.301 24.092 43.972 1.00 4.96 ? 129 ASP X CA 1 ATOM 984 C C . ASP A 1 125 ? 0.546 22.819 43.653 1.00 5.00 ? 129 ASP X C 1 ATOM 985 O O . ASP A 1 125 ? 0.309 22.479 42.496 1.00 5.95 ? 129 ASP X O 1 ATOM 986 C CB . ASP A 1 125 ? 1.023 25.190 42.947 1.00 5.19 ? 129 ASP X CB 1 ATOM 987 C CG . ASP A 1 125 ? -0.406 25.698 42.965 1.00 5.48 ? 129 ASP X CG 1 ATOM 988 O OD1 . ASP A 1 125 ? -1.271 25.194 43.713 1.00 5.57 ? 129 ASP X OD1 1 ATOM 989 O OD2 . ASP A 1 125 ? -0.667 26.625 42.156 1.00 7.85 ? 129 ASP X OD2 1 ATOM 990 N N . VAL A 1 126 ? 0.213 22.082 44.700 1.00 5.32 ? 130 VAL X N 1 ATOM 991 C CA . VAL A 1 126 ? -0.278 20.718 44.556 1.00 5.45 ? 130 VAL X CA 1 ATOM 992 C C . VAL A 1 126 ? -1.801 20.729 44.535 1.00 5.88 ? 130 VAL X C 1 ATOM 993 O O . VAL A 1 126 ? -2.455 20.969 45.554 1.00 5.65 ? 130 VAL X O 1 ATOM 994 C CB . VAL A 1 126 ? 0.260 19.819 45.698 1.00 5.20 ? 130 VAL X CB 1 ATOM 995 C CG1 . VAL A 1 126 ? -0.230 18.388 45.518 1.00 6.45 ? 130 VAL X CG1 1 ATOM 996 C CG2 . VAL A 1 126 ? 1.801 19.873 45.744 1.00 5.33 ? 130 VAL X CG2 1 ATOM 997 N N . GLU A 1 127 ? -2.359 20.533 43.347 1.00 6.49 ? 131 GLU X N 1 ATOM 998 C CA . GLU A 1 127 ? -3.801 20.620 43.163 1.00 7.18 ? 131 GLU X CA 1 ATOM 999 C C . GLU A 1 127 ? -4.444 19.259 42.863 1.00 7.35 ? 131 GLU X C 1 ATOM 1000 O O . GLU A 1 127 ? -5.636 19.192 42.550 1.00 7.46 ? 131 GLU X O 1 ATOM 1001 C CB . GLU A 1 127 ? -4.171 21.672 42.105 1.00 7.39 ? 131 GLU X CB 1 ATOM 1002 C CG . GLU A 1 127 ? -3.810 23.108 42.471 1.00 9.31 ? 131 GLU X CG 1 ATOM 1003 C CD . GLU A 1 127 ? -4.274 24.121 41.430 1.00 9.59 ? 131 GLU X CD 1 ATOM 1004 O OE1 . GLU A 1 127 ? -5.191 23.806 40.644 1.00 9.76 ? 131 GLU X OE1 1 ATOM 1005 O OE2 . GLU A 1 127 ? -3.728 25.236 41.400 1.00 9.26 ? 131 GLU X OE2 1 ATOM 1006 N N . GLN A 1 128 ? -3.666 18.184 42.964 1.00 8.28 ? 132 GLN X N 1 ATOM 1007 C CA . GLN A 1 128 ? -4.206 16.813 42.914 1.00 8.24 ? 132 GLN X CA 1 ATOM 1008 C C . GLN A 1 128 ? -3.577 16.060 44.079 1.00 8.64 ? 132 GLN X C 1 ATOM 1009 O O . GLN A 1 128 ? -2.559 16.510 44.603 1.00 8.40 ? 132 GLN X O 1 ATOM 1010 C CB . GLN A 1 128 ? -3.901 16.103 41.585 1.00 8.91 ? 132 GLN X CB 1 ATOM 1011 C CG . GLN A 1 128 ? -4.395 16.829 40.346 1.00 9.31 ? 132 GLN X CG 1 ATOM 1012 C CD . GLN A 1 128 ? -3.454 17.947 39.902 1.00 9.01 ? 132 GLN X CD 1 ATOM 1013 O OE1 . GLN A 1 128 ? -2.232 17.829 40.000 1.00 9.07 ? 132 GLN X OE1 1 ATOM 1014 N NE2 . GLN A 1 128 ? -4.032 19.036 39.410 1.00 10.51 ? 132 GLN X NE2 1 ATOM 1015 N N . PRO A 1 129 ? -4.166 14.918 44.494 1.00 9.38 ? 133 PRO X N 1 ATOM 1016 C CA . PRO A 1 129 ? -3.619 14.235 45.675 1.00 9.34 ? 133 PRO X CA 1 ATOM 1017 C C . PRO A 1 129 ? -2.185 13.724 45.515 1.00 8.81 ? 133 PRO X C 1 ATOM 1018 O O . PRO A 1 129 ? -1.830 13.146 44.475 1.00 9.24 ? 133 PRO X O 1 ATOM 1019 C CB . PRO A 1 129 ? -4.584 13.061 45.877 1.00 9.66 ? 133 PRO X CB 1 ATOM 1020 C CG . PRO A 1 129 ? -5.873 13.553 45.297 1.00 10.86 ? 133 PRO X CG 1 ATOM 1021 C CD . PRO A 1 129 ? -5.455 14.330 44.079 1.00 9.93 ? 133 PRO X CD 1 ATOM 1022 N N . MET A 1 130 ? -1.373 13.974 46.540 1.00 8.32 ? 134 MET X N 1 ATOM 1023 C CA . MET A 1 130 ? -0.015 13.440 46.659 1.00 7.53 ? 134 MET X CA 1 ATOM 1024 C C . MET A 1 130 ? 0.120 12.880 48.070 1.00 7.01 ? 134 MET X C 1 ATOM 1025 O O . MET A 1 130 ? -0.412 13.471 49.016 1.00 6.55 ? 134 MET X O 1 ATOM 1026 C CB . MET A 1 130 ? 1.032 14.538 46.423 1.00 7.90 ? 134 MET X CB 1 ATOM 1027 C CG . MET A 1 130 ? 2.457 14.047 46.405 1.00 7.36 ? 134 MET X CG 1 ATOM 1028 S SD . MET A 1 130 ? 3.606 15.402 46.141 1.00 8.14 ? 134 MET X SD 1 ATOM 1029 C CE . MET A 1 130 ? 5.045 14.512 45.520 1.00 10.35 ? 134 MET X CE 1 ATOM 1030 N N . SER A 1 131 ? 0.824 11.759 48.218 1.00 6.89 ? 135 SER X N 1 ATOM 1031 C CA . SER A 1 131 ? 0.995 11.133 49.529 1.00 6.98 ? 135 SER X CA 1 ATOM 1032 C C . SER A 1 131 ? 1.796 12.026 50.452 1.00 6.71 ? 135 SER X C 1 ATOM 1033 O O . SER A 1 131 ? 2.585 12.867 49.999 1.00 6.90 ? 135 SER X O 1 ATOM 1034 C CB . SER A 1 131 ? 1.672 9.763 49.406 1.00 7.59 ? 135 SER X CB 1 ATOM 1035 O OG . SER A 1 131 ? 3.040 9.914 49.058 1.00 8.03 ? 135 SER X OG 1 ATOM 1036 N N . GLN A 1 132 ? 1.587 11.842 51.754 1.00 6.61 ? 136 GLN X N 1 ATOM 1037 C CA . GLN A 1 132 ? 2.407 12.509 52.758 1.00 7.09 ? 136 GLN X CA 1 ATOM 1038 C C . GLN A 1 132 ? 3.892 12.225 52.574 1.00 7.29 ? 136 GLN X C 1 ATOM 1039 O O . GLN A 1 132 ? 4.725 13.139 52.634 1.00 7.64 ? 136 GLN X O 1 ATOM 1040 C CB . GLN A 1 132 ? 1.981 12.103 54.169 1.00 6.96 ? 136 GLN X CB 1 ATOM 1041 C CG . GLN A 1 132 ? 2.462 13.079 55.234 1.00 7.71 ? 136 GLN X CG 1 ATOM 1042 C CD . GLN A 1 132 ? 1.664 14.375 55.204 1.00 8.29 ? 136 GLN X CD 1 ATOM 1043 O OE1 . GLN A 1 132 ? 0.436 14.350 55.250 1.00 7.66 ? 136 GLN X OE1 1 ATOM 1044 N NE2 . GLN A 1 132 ? 2.361 15.517 55.101 1.00 9.19 ? 136 GLN X NE2 1 ATOM 1045 N N . GLN A 1 133 ? 4.224 10.952 52.357 1.00 7.62 ? 137 GLN X N 1 ATOM 1046 C CA . GLN A 1 133 ? 5.615 10.567 52.164 1.00 7.84 ? 137 GLN X CA 1 ATOM 1047 C C . GLN A 1 133 ? 6.215 11.280 50.944 1.00 6.99 ? 137 GLN X C 1 ATOM 1048 O O . GLN A 1 133 ? 7.369 11.710 50.970 1.00 7.21 ? 137 GLN X O 1 ATOM 1049 C CB . GLN A 1 133 ? 5.732 9.055 51.989 1.00 8.37 ? 137 GLN X CB 1 ATOM 1050 C CG . GLN A 1 133 ? 7.171 8.580 51.929 1.00 12.24 ? 137 GLN X CG 1 ATOM 1051 C CD . GLN A 1 133 ? 7.315 7.122 51.547 1.00 16.53 ? 137 GLN X CD 1 ATOM 1052 O OE1 . GLN A 1 133 ? 6.341 6.455 51.201 1.00 18.75 ? 137 GLN X OE1 1 ATOM 1053 N NE2 . GLN A 1 133 ? 8.548 6.622 51.592 1.00 18.52 ? 137 GLN X NE2 1 ATOM 1054 N N . GLY A 1 134 ? 5.425 11.369 49.879 1.00 6.26 ? 138 GLY X N 1 ATOM 1055 C CA . GLY A 1 134 ? 5.876 12.007 48.641 1.00 5.95 ? 138 GLY X CA 1 ATOM 1056 C C . GLY A 1 134 ? 6.199 13.492 48.784 1.00 5.94 ? 138 GLY X C 1 ATOM 1057 O O . GLY A 1 134 ? 7.266 13.952 48.361 1.00 6.27 ? 138 GLY X O 1 ATOM 1058 N N . ILE A 1 135 ? 5.291 14.256 49.392 1.00 5.68 ? 139 ILE X N 1 ATOM 1059 C CA . ILE A 1 135 ? 5.549 15.691 49.558 1.00 6.09 ? 139 ILE X CA 1 ATOM 1060 C C . ILE A 1 135 ? 6.682 15.926 50.536 1.00 6.14 ? 139 ILE X C 1 ATOM 1061 O O . ILE A 1 135 ? 7.533 16.787 50.307 1.00 6.08 ? 139 ILE X O 1 ATOM 1062 C CB . ILE A 1 135 ? 4.269 16.529 49.928 1.00 6.88 ? 139 ILE X CB 1 ATOM 1063 C CG1 . ILE A 1 135 ? 4.537 18.037 49.787 1.00 6.61 ? 139 ILE X CG1 1 ATOM 1064 C CG2 . ILE A 1 135 ? 3.751 16.186 51.325 1.00 6.51 ? 139 ILE X CG2 1 ATOM 1065 C CD1 . ILE A 1 135 ? 4.915 18.463 48.354 1.00 7.44 ? 139 ILE X CD1 1 ATOM 1066 N N . ASP A 1 136 ? 6.711 15.144 51.616 1.00 6.11 ? 140 ASP X N 1 ATOM 1067 C CA . ASP A 1 136 ? 7.782 15.289 52.598 1.00 6.72 ? 140 ASP X CA 1 ATOM 1068 C C . ASP A 1 136 ? 9.156 15.049 51.953 1.00 6.35 ? 140 ASP X C 1 ATOM 1069 O O . ASP A 1 136 ? 10.106 15.806 52.183 1.00 6.73 ? 140 ASP X O 1 ATOM 1070 C CB . ASP A 1 136 ? 7.586 14.337 53.787 1.00 6.22 ? 140 ASP X CB 1 ATOM 1071 C CG . ASP A 1 136 ? 6.374 14.679 54.668 1.00 8.42 ? 140 ASP X CG 1 ATOM 1072 O OD1 . ASP A 1 136 ? 5.581 15.610 54.389 1.00 9.44 ? 140 ASP X OD1 1 ATOM 1073 O OD2 . ASP A 1 136 ? 6.201 13.966 55.684 1.00 7.96 ? 140 ASP X OD2 1 ATOM 1074 N N . ARG A 1 137 ? 9.257 13.983 51.155 1.00 6.86 ? 141 ARG X N 1 ATOM 1075 C CA . ARG A 1 137 ? 10.486 13.659 50.449 1.00 7.18 ? 141 ARG X CA 1 ATOM 1076 C C . ARG A 1 137 ? 10.873 14.774 49.492 1.00 6.16 ? 141 ARG X C 1 ATOM 1077 O O . ARG A 1 137 ? 12.028 15.173 49.444 1.00 6.37 ? 141 ARG X O 1 ATOM 1078 C CB . ARG A 1 137 ? 10.336 12.342 49.685 1.00 7.44 ? 141 ARG X CB 1 ATOM 1079 C CG . ARG A 1 137 ? 11.514 12.026 48.763 1.00 9.17 ? 141 ARG X CG 1 ATOM 1080 C CD . ARG A 1 137 ? 11.386 10.688 48.066 1.00 10.74 ? 141 ARG X CD 1 ATOM 1081 N NE . ARG A 1 137 ? 10.222 10.609 47.188 1.00 12.00 ? 141 ARG X NE 1 ATOM 1082 C CZ . ARG A 1 137 ? 9.857 9.514 46.526 1.00 12.75 ? 141 ARG X CZ 1 ATOM 1083 N NH1 . ARG A 1 137 ? 10.562 8.398 46.660 1.00 14.74 ? 141 ARG X NH1 1 ATOM 1084 N NH2 . ARG A 1 137 ? 8.783 9.528 45.746 1.00 13.40 ? 141 ARG X NH2 1 ATOM 1085 N N . LEU A 1 138 ? 9.915 15.272 48.719 1.00 5.39 ? 142 LEU X N 1 ATOM 1086 C CA . LEU A 1 138 ? 10.234 16.280 47.722 1.00 5.47 ? 142 LEU X CA 1 ATOM 1087 C C . LEU A 1 138 ? 10.833 17.533 48.348 1.00 5.73 ? 142 LEU X C 1 ATOM 1088 O O . LEU A 1 138 ? 11.833 18.060 47.871 1.00 6.17 ? 142 LEU X O 1 ATOM 1089 C CB . LEU A 1 138 ? 8.983 16.622 46.919 1.00 5.60 ? 142 LEU X CB 1 ATOM 1090 C CG . LEU A 1 138 ? 9.104 17.655 45.799 1.00 6.05 ? 142 LEU X CG 1 ATOM 1091 C CD1 . LEU A 1 138 ? 10.209 17.295 44.787 1.00 7.07 ? 142 LEU X CD1 1 ATOM 1092 C CD2 . LEU A 1 138 ? 7.751 17.810 45.118 1.00 7.15 ? 142 LEU X CD2 1 ATOM 1093 N N . ILE A 1 139 ? 10.198 18.014 49.413 1.00 6.31 ? 143 ILE X N 1 ATOM 1094 C CA . ILE A 1 139 ? 10.661 19.207 50.112 1.00 7.12 ? 143 ILE X CA 1 ATOM 1095 C C . ILE A 1 139 ? 12.015 18.961 50.767 1.00 7.22 ? 143 ILE X C 1 ATOM 1096 O O . ILE A 1 139 ? 12.919 19.777 50.636 1.00 7.62 ? 143 ILE X O 1 ATOM 1097 C CB . ILE A 1 139 ? 9.624 19.656 51.156 1.00 7.14 ? 143 ILE X CB 1 ATOM 1098 C CG1 . ILE A 1 139 ? 8.360 20.112 50.427 1.00 8.52 ? 143 ILE X CG1 1 ATOM 1099 C CG2 . ILE A 1 139 ? 10.188 20.755 52.092 1.00 8.38 ? 143 ILE X CG2 1 ATOM 1100 C CD1 . ILE A 1 139 ? 7.218 20.417 51.303 1.00 10.95 ? 143 ILE X CD1 1 ATOM 1101 N N . ALA A 1 140 ? 12.154 17.839 51.479 1.00 6.92 ? 144 ALA X N 1 ATOM 1102 C CA . ALA A 1 140 ? 13.423 17.532 52.128 1.00 7.11 ? 144 ALA X CA 1 ATOM 1103 C C . ALA A 1 140 ? 14.584 17.395 51.141 1.00 6.67 ? 144 ALA X C 1 ATOM 1104 O O . ALA A 1 140 ? 15.698 17.845 51.411 1.00 7.18 ? 144 ALA X O 1 ATOM 1105 C CB . ALA A 1 140 ? 13.300 16.271 53.000 1.00 7.27 ? 144 ALA X CB 1 ATOM 1106 N N . ARG A 1 141 ? 14.310 16.774 50.000 1.00 6.81 ? 145 ARG X N 1 ATOM 1107 C CA . ARG A 1 141 ? 15.309 16.577 48.962 1.00 7.17 ? 145 ARG X CA 1 ATOM 1108 C C . ARG A 1 141 ? 15.705 17.903 48.307 1.00 7.23 ? 145 ARG X C 1 ATOM 1109 O O . ARG A 1 141 ? 16.899 18.155 48.098 1.00 6.71 ? 145 ARG X O 1 ATOM 1110 C CB . ARG A 1 141 ? 14.831 15.570 47.908 1.00 7.53 ? 145 ARG X CB 1 ATOM 1111 C CG . ARG A 1 141 ? 15.798 15.348 46.757 1.00 8.10 ? 145 ARG X CG 1 ATOM 1112 C CD . ARG A 1 141 ? 17.145 14.786 47.181 1.00 9.74 ? 145 ARG X CD 1 ATOM 1113 N NE . ARG A 1 141 ? 17.950 14.531 45.990 1.00 9.21 ? 145 ARG X NE 1 ATOM 1114 C CZ . ARG A 1 141 ? 17.827 13.446 45.231 1.00 9.46 ? 145 ARG X CZ 1 ATOM 1115 N NH1 . ARG A 1 141 ? 16.956 12.499 45.563 1.00 9.44 ? 145 ARG X NH1 1 ATOM 1116 N NH2 . ARG A 1 141 ? 18.576 13.305 44.144 1.00 10.95 ? 145 ARG X NH2 1 ATOM 1117 N N . LEU A 1 142 ? 14.713 18.748 48.006 1.00 6.80 ? 146 LEU X N 1 ATOM 1118 C CA . LEU A 1 142 ? 15.003 20.094 47.483 1.00 7.41 ? 146 LEU X CA 1 ATOM 1119 C C . LEU A 1 142 ? 15.869 20.878 48.456 1.00 7.39 ? 146 LEU X C 1 ATOM 1120 O O . LEU A 1 142 ? 16.851 21.509 48.058 1.00 6.59 ? 146 LEU X O 1 ATOM 1121 C CB . LEU A 1 142 ? 13.707 20.852 47.198 1.00 7.48 ? 146 LEU X CB 1 ATOM 1122 C CG . LEU A 1 142 ? 12.984 20.502 45.894 1.00 5.67 ? 146 LEU X CG 1 ATOM 1123 C CD1 . LEU A 1 142 ? 11.585 21.094 45.913 1.00 7.83 ? 146 LEU X CD1 1 ATOM 1124 C CD2 . LEU A 1 142 ? 13.764 20.999 44.673 1.00 7.12 ? 146 LEU X CD2 1 ATOM 1125 N N . ARG A 1 143 ? 15.506 20.832 49.740 1.00 7.71 ? 147 ARG X N 1 ATOM 1126 C CA A ARG A 1 143 ? 16.248 21.523 50.791 0.50 8.24 ? 147 ARG X CA 1 ATOM 1127 C CA B ARG A 1 143 ? 16.268 21.535 50.777 0.50 7.88 ? 147 ARG X CA 1 ATOM 1128 C C . ARG A 1 143 ? 17.684 20.984 50.879 1.00 7.82 ? 147 ARG X C 1 ATOM 1129 O O . ARG A 1 143 ? 18.645 21.744 51.040 1.00 8.36 ? 147 ARG X O 1 ATOM 1130 C CB A ARG A 1 143 ? 15.497 21.373 52.123 0.50 8.20 ? 147 ARG X CB 1 ATOM 1131 C CB B ARG A 1 143 ? 15.560 21.477 52.139 0.50 7.65 ? 147 ARG X CB 1 ATOM 1132 C CG A ARG A 1 143 ? 15.948 22.275 53.260 0.50 8.92 ? 147 ARG X CG 1 ATOM 1133 C CG B ARG A 1 143 ? 16.456 21.766 53.357 0.50 6.45 ? 147 ARG X CG 1 ATOM 1134 C CD A ARG A 1 143 ? 16.104 23.725 52.823 0.50 7.38 ? 147 ARG X CD 1 ATOM 1135 C CD B ARG A 1 143 ? 16.971 23.208 53.379 0.50 5.76 ? 147 ARG X CD 1 ATOM 1136 N NE A ARG A 1 143 ? 14.838 24.456 52.695 0.50 5.87 ? 147 ARG X NE 1 ATOM 1137 N NE B ARG A 1 143 ? 17.795 23.446 54.563 0.50 6.03 ? 147 ARG X NE 1 ATOM 1138 C CZ A ARG A 1 143 ? 14.750 25.622 52.066 0.50 5.49 ? 147 ARG X CZ 1 ATOM 1139 C CZ B ARG A 1 143 ? 19.102 23.208 54.619 0.50 4.03 ? 147 ARG X CZ 1 ATOM 1140 N NH1 A ARG A 1 143 ? 15.837 26.141 51.516 0.50 5.80 ? 147 ARG X NH1 1 ATOM 1141 N NH1 B ARG A 1 143 ? 19.737 22.753 53.544 0.50 2.00 ? 147 ARG X NH1 1 ATOM 1142 N NH2 A ARG A 1 143 ? 13.594 26.260 51.975 0.50 4.98 ? 147 ARG X NH2 1 ATOM 1143 N NH2 B ARG A 1 143 ? 19.769 23.436 55.747 0.50 5.67 ? 147 ARG X NH2 1 ATOM 1144 N N . ALA A 1 144 ? 17.819 19.668 50.785 1.00 8.25 ? 148 ALA X N 1 ATOM 1145 C CA . ALA A 1 144 ? 19.128 19.023 50.825 1.00 7.87 ? 148 ALA X CA 1 ATOM 1146 C C . ALA A 1 144 ? 20.012 19.450 49.654 1.00 8.55 ? 148 ALA X C 1 ATOM 1147 O O . ALA A 1 144 ? 21.177 19.791 49.851 1.00 8.81 ? 148 ALA X O 1 ATOM 1148 C CB . ALA A 1 144 ? 18.986 17.486 50.871 1.00 8.78 ? 148 ALA X CB 1 ATOM 1149 N N . ASP A 1 145 ? 19.449 19.461 48.447 1.00 8.31 ? 149 ASP X N 1 ATOM 1150 C CA . ASP A 1 145 ? 20.229 19.758 47.247 1.00 8.52 ? 149 ASP X CA 1 ATOM 1151 C C . ASP A 1 145 ? 20.534 21.231 47.017 1.00 7.74 ? 149 ASP X C 1 ATOM 1152 O O . ASP A 1 145 ? 21.589 21.571 46.470 1.00 8.19 ? 149 ASP X O 1 ATOM 1153 C CB . ASP A 1 145 ? 19.534 19.209 45.999 1.00 8.96 ? 149 ASP X CB 1 ATOM 1154 C CG . ASP A 1 145 ? 19.511 17.696 45.958 1.00 10.02 ? 149 ASP X CG 1 ATOM 1155 O OD1 . ASP A 1 145 ? 20.140 17.039 46.819 1.00 12.01 ? 149 ASP X OD1 1 ATOM 1156 O OD2 . ASP A 1 145 ? 18.874 17.157 45.039 1.00 9.93 ? 149 ASP X OD2 1 ATOM 1157 N N . PHE A 1 146 ? 19.609 22.100 47.411 1.00 7.06 ? 150 PHE X N 1 ATOM 1158 C CA . PHE A 1 146 ? 19.725 23.525 47.074 1.00 6.55 ? 150 PHE X CA 1 ATOM 1159 C C . PHE A 1 146 ? 20.129 24.439 48.225 1.00 6.17 ? 150 PHE X C 1 ATOM 1160 O O . PHE A 1 146 ? 20.341 25.638 48.007 1.00 7.01 ? 150 PHE X O 1 ATOM 1161 C CB . PHE A 1 146 ? 18.464 24.035 46.361 1.00 7.21 ? 150 PHE X CB 1 ATOM 1162 C CG . PHE A 1 146 ? 18.328 23.510 44.965 1.00 6.79 ? 150 PHE X CG 1 ATOM 1163 C CD1 . PHE A 1 146 ? 19.049 24.071 43.918 1.00 9.64 ? 150 PHE X CD1 1 ATOM 1164 C CD2 . PHE A 1 146 ? 17.507 22.428 44.704 1.00 7.47 ? 150 PHE X CD2 1 ATOM 1165 C CE1 . PHE A 1 146 ? 18.935 23.568 42.631 1.00 8.53 ? 150 PHE X CE1 1 ATOM 1166 C CE2 . PHE A 1 146 ? 17.383 21.928 43.417 1.00 7.99 ? 150 PHE X CE2 1 ATOM 1167 C CZ . PHE A 1 146 ? 18.106 22.495 42.378 1.00 9.11 ? 150 PHE X CZ 1 ATOM 1168 N N . GLY A 1 147 ? 20.244 23.901 49.435 1.00 5.85 ? 151 GLY X N 1 ATOM 1169 C CA . GLY A 1 147 ? 20.683 24.706 50.564 1.00 6.11 ? 151 GLY X CA 1 ATOM 1170 C C . GLY A 1 147 ? 19.567 25.440 51.288 1.00 5.86 ? 151 GLY X C 1 ATOM 1171 O O . GLY A 1 147 ? 18.394 25.445 50.859 1.00 5.61 ? 151 GLY X O 1 ATOM 1172 N N . PRO A 1 148 ? 19.913 26.069 52.408 1.00 6.33 ? 152 PRO X N 1 ATOM 1173 C CA . PRO A 1 148 ? 18.928 26.639 53.307 1.00 6.98 ? 152 PRO X CA 1 ATOM 1174 C C . PRO A 1 148 ? 18.321 27.946 52.793 1.00 7.41 ? 152 PRO X C 1 ATOM 1175 O O . PRO A 1 148 ? 17.268 28.335 53.292 1.00 8.87 ? 152 PRO X O 1 ATOM 1176 C CB . PRO A 1 148 ? 19.732 26.895 54.596 1.00 7.07 ? 152 PRO X CB 1 ATOM 1177 C CG . PRO A 1 148 ? 21.151 27.020 54.124 1.00 7.42 ? 152 PRO X CG 1 ATOM 1178 C CD . PRO A 1 148 ? 21.267 26.067 52.994 1.00 5.80 ? 152 PRO X CD 1 ATOM 1179 N N . ASP A 1 149 ? 18.975 28.622 51.841 1.00 7.18 ? 153 ASP X N 1 ATOM 1180 C CA . ASP A 1 149 ? 18.525 29.935 51.363 1.00 7.79 ? 153 ASP X CA 1 ATOM 1181 C C . ASP A 1 149 ? 17.722 29.852 50.062 1.00 7.29 ? 153 ASP X C 1 ATOM 1182 O O . ASP A 1 149 ? 17.163 30.861 49.639 1.00 8.46 ? 153 ASP X O 1 ATOM 1183 C CB . ASP A 1 149 ? 19.698 30.919 51.236 1.00 8.65 ? 153 ASP X CB 1 ATOM 1184 C CG . ASP A 1 149 ? 20.272 31.328 52.583 1.00 11.04 ? 153 ASP X CG 1 ATOM 1185 O OD1 . ASP A 1 149 ? 19.773 32.298 53.184 1.00 17.32 ? 153 ASP X OD1 1 ATOM 1186 O OD2 . ASP A 1 149 ? 21.242 30.690 53.031 1.00 14.08 ? 153 ASP X OD2 1 ATOM 1187 N N . PHE A 1 150 ? 17.659 28.674 49.440 1.00 6.93 ? 154 PHE X N 1 ATOM 1188 C CA . PHE A 1 150 ? 16.719 28.414 48.335 1.00 6.26 ? 154 PHE X CA 1 ATOM 1189 C C . PHE A 1 150 ? 15.290 28.531 48.865 1.00 6.60 ? 154 PHE X C 1 ATOM 1190 O O . PHE A 1 150 ? 15.004 28.073 49.965 1.00 8.10 ? 154 PHE X O 1 ATOM 1191 C CB . PHE A 1 150 ? 16.955 27.019 47.783 1.00 6.63 ? 154 PHE X CB 1 ATOM 1192 C CG . PHE A 1 150 ? 16.201 26.724 46.515 1.00 5.58 ? 154 PHE X CG 1 ATOM 1193 C CD1 . PHE A 1 150 ? 16.582 27.313 45.310 1.00 6.63 ? 154 PHE X CD1 1 ATOM 1194 C CD2 . PHE A 1 150 ? 15.135 25.830 46.513 1.00 6.08 ? 154 PHE X CD2 1 ATOM 1195 C CE1 . PHE A 1 150 ? 15.897 27.039 44.130 1.00 7.22 ? 154 PHE X CE1 1 ATOM 1196 C CE2 . PHE A 1 150 ? 14.440 25.549 45.326 1.00 7.02 ? 154 PHE X CE2 1 ATOM 1197 C CZ . PHE A 1 150 ? 14.819 26.160 44.141 1.00 7.06 ? 154 PHE X CZ 1 ATOM 1198 N N . LEU A 1 151 ? 14.408 29.183 48.115 1.00 6.33 ? 155 LEU X N 1 ATOM 1199 C CA . LEU A 1 151 ? 13.038 29.386 48.590 1.00 5.95 ? 155 LEU X CA 1 ATOM 1200 C C . LEU A 1 151 ? 12.166 28.197 48.243 1.00 5.20 ? 155 LEU X C 1 ATOM 1201 O O . LEU A 1 151 ? 12.131 27.769 47.101 1.00 5.86 ? 155 LEU X O 1 ATOM 1202 C CB . LEU A 1 151 ? 12.436 30.683 48.035 1.00 6.31 ? 155 LEU X CB 1 ATOM 1203 C CG . LEU A 1 151 ? 13.173 31.944 48.497 1.00 7.02 ? 155 LEU X CG 1 ATOM 1204 C CD1 . LEU A 1 151 ? 12.599 33.160 47.800 1.00 7.68 ? 155 LEU X CD1 1 ATOM 1205 C CD2 . LEU A 1 151 ? 13.139 32.117 50.026 1.00 8.16 ? 155 LEU X CD2 1 ATOM 1206 N N . ILE A 1 152 ? 11.497 27.633 49.240 1.00 4.58 ? 156 ILE X N 1 ATOM 1207 C CA . ILE A 1 152 ? 10.562 26.536 49.015 1.00 4.41 ? 156 ILE X CA 1 ATOM 1208 C C . ILE A 1 152 ? 9.220 26.949 49.587 1.00 3.50 ? 156 ILE X C 1 ATOM 1209 O O . ILE A 1 152 ? 9.107 27.240 50.775 1.00 4.70 ? 156 ILE X O 1 ATOM 1210 C CB . ILE A 1 152 ? 11.036 25.207 49.649 1.00 4.38 ? 156 ILE X CB 1 ATOM 1211 C CG1 . ILE A 1 152 ? 12.404 24.795 49.074 1.00 6.28 ? 156 ILE X CG1 1 ATOM 1212 C CG2 . ILE A 1 152 ? 10.014 24.088 49.404 1.00 6.09 ? 156 ILE X CG2 1 ATOM 1213 C CD1 . ILE A 1 152 ? 13.017 23.534 49.678 1.00 8.00 ? 156 ILE X CD1 1 ATOM 1214 N N . THR A 1 153 ? 8.202 26.974 48.728 1.00 3.75 ? 157 THR X N 1 ATOM 1215 C CA . THR A 1 153 ? 6.869 27.355 49.163 1.00 3.84 ? 157 THR X CA 1 ATOM 1216 C C . THR A 1 153 ? 5.842 26.339 48.673 1.00 3.77 ? 157 THR X C 1 ATOM 1217 O O . THR A 1 153 ? 6.140 25.499 47.822 1.00 3.84 ? 157 THR X O 1 ATOM 1218 C CB . THR A 1 153 ? 6.512 28.787 48.688 1.00 3.73 ? 157 THR X CB 1 ATOM 1219 O OG1 . THR A 1 153 ? 6.481 28.825 47.259 1.00 4.40 ? 157 THR X OG1 1 ATOM 1220 C CG2 . THR A 1 153 ? 7.544 29.781 49.154 1.00 4.38 ? 157 THR X CG2 1 ATOM 1221 N N . LEU A 1 154 ? 4.643 26.395 49.248 1.00 4.39 ? 158 LEU X N 1 ATOM 1222 C CA . LEU A 1 154 ? 3.509 25.632 48.739 1.00 4.37 ? 158 LEU X CA 1 ATOM 1223 C C . LEU A 1 154 ? 2.340 26.580 48.583 1.00 3.67 ? 158 LEU X C 1 ATOM 1224 O O . LEU A 1 154 ? 2.378 27.695 49.102 1.00 3.96 ? 158 LEU X O 1 ATOM 1225 C CB . LEU A 1 154 ? 3.164 24.453 49.649 1.00 5.18 ? 158 LEU X CB 1 ATOM 1226 C CG . LEU A 1 154 ? 4.238 23.369 49.726 1.00 5.72 ? 158 LEU X CG 1 ATOM 1227 C CD1 . LEU A 1 154 ? 5.205 23.609 50.904 1.00 6.75 ? 158 LEU X CD1 1 ATOM 1228 C CD2 . LEU A 1 154 ? 3.610 21.991 49.761 1.00 5.76 ? 158 LEU X CD2 1 ATOM 1229 N N . ALA A 1 155 ? 1.296 26.125 47.889 1.00 4.29 ? 159 ALA X N 1 ATOM 1230 C CA . ALA A 1 155 ? 0.105 26.925 47.653 1.00 4.71 ? 159 ALA X CA 1 ATOM 1231 C C . ALA A 1 155 ? -1.159 26.182 48.117 1.00 4.48 ? 159 ALA X C 1 ATOM 1232 O O . ALA A 1 155 ? -2.029 25.858 47.307 1.00 4.03 ? 159 ALA X O 1 ATOM 1233 C CB . ALA A 1 155 ? 0.021 27.301 46.165 1.00 5.16 ? 159 ALA X CB 1 ATOM 1234 N N . PRO A 1 156 ? -1.286 25.914 49.426 1.00 4.34 ? 160 PRO X N 1 ATOM 1235 C CA . PRO A 1 156 ? -2.531 25.321 49.920 1.00 4.25 ? 160 PRO X CA 1 ATOM 1236 C C . PRO A 1 156 ? -3.713 26.248 49.663 1.00 4.09 ? 160 PRO X C 1 ATOM 1237 O O . PRO A 1 156 ? -3.572 27.465 49.716 1.00 3.80 ? 160 PRO X O 1 ATOM 1238 C CB . PRO A 1 156 ? -2.287 25.238 51.427 1.00 4.39 ? 160 PRO X CB 1 ATOM 1239 C CG . PRO A 1 156 ? -1.296 26.328 51.711 1.00 3.73 ? 160 PRO X CG 1 ATOM 1240 C CD . PRO A 1 156 ? -0.411 26.379 50.520 1.00 4.92 ? 160 PRO X CD 1 ATOM 1241 N N . VAL A 1 157 ? -4.882 25.672 49.405 1.00 4.14 ? 161 VAL X N 1 ATOM 1242 C CA . VAL A 1 157 ? -6.095 26.468 49.472 1.00 4.38 ? 161 VAL X CA 1 ATOM 1243 C C . VAL A 1 157 ? -6.333 26.780 50.952 1.00 4.58 ? 161 VAL X C 1 ATOM 1244 O O . VAL A 1 157 ? -5.931 26.022 51.832 1.00 4.41 ? 161 VAL X O 1 ATOM 1245 C CB . VAL A 1 157 ? -7.297 25.778 48.790 1.00 4.36 ? 161 VAL X CB 1 ATOM 1246 C CG1 . VAL A 1 157 ? -6.960 25.435 47.348 1.00 5.18 ? 161 VAL X CG1 1 ATOM 1247 C CG2 . VAL A 1 157 ? -7.750 24.550 49.559 1.00 5.15 ? 161 VAL X CG2 1 ATOM 1248 N N . ALA A 1 158 ? -6.973 27.906 51.238 1.00 4.77 ? 162 ALA X N 1 ATOM 1249 C CA . ALA A 1 158 ? -7.038 28.383 52.617 1.00 4.79 ? 162 ALA X CA 1 ATOM 1250 C C . ALA A 1 158 ? -7.602 27.350 53.600 1.00 4.86 ? 162 ALA X C 1 ATOM 1251 O O . ALA A 1 158 ? -7.018 27.133 54.660 1.00 5.62 ? 162 ALA X O 1 ATOM 1252 C CB . ALA A 1 158 ? -7.829 29.685 52.694 1.00 4.71 ? 162 ALA X CB 1 ATOM 1253 N N . SER A 1 159 ? -8.710 26.700 53.234 1.00 4.59 ? 163 SER X N 1 ATOM 1254 C CA . SER A 1 159 ? -9.356 25.703 54.091 1.00 4.75 ? 163 SER X CA 1 ATOM 1255 C C . SER A 1 159 ? -8.437 24.512 54.397 1.00 4.84 ? 163 SER X C 1 ATOM 1256 O O . SER A 1 159 ? -8.648 23.807 55.376 1.00 5.05 ? 163 SER X O 1 ATOM 1257 C CB . SER A 1 159 ? -10.684 25.235 53.492 1.00 5.33 ? 163 SER X CB 1 ATOM 1258 O OG . SER A 1 159 ? -10.508 24.849 52.147 1.00 5.56 ? 163 SER X OG 1 ATOM 1259 N N . ALA A 1 160 ? -7.427 24.272 53.565 1.00 5.02 ? 164 ALA X N 1 ATOM 1260 C CA . ALA A 1 160 ? -6.472 23.186 53.837 1.00 5.31 ? 164 ALA X CA 1 ATOM 1261 C C . ALA A 1 160 ? -5.585 23.468 55.044 1.00 5.22 ? 164 ALA X C 1 ATOM 1262 O O . ALA A 1 160 ? -4.977 22.549 55.600 1.00 5.67 ? 164 ALA X O 1 ATOM 1263 C CB . ALA A 1 160 ? -5.627 22.891 52.614 1.00 5.57 ? 164 ALA X CB 1 ATOM 1264 N N . LEU A 1 161 ? -5.533 24.730 55.451 1.00 5.15 ? 165 LEU X N 1 ATOM 1265 C CA . LEU A 1 161 ? -4.788 25.137 56.646 1.00 5.63 ? 165 LEU X CA 1 ATOM 1266 C C . LEU A 1 161 ? -5.705 25.271 57.868 1.00 6.36 ? 165 LEU X C 1 ATOM 1267 O O . LEU A 1 161 ? -5.275 25.705 58.944 1.00 6.76 ? 165 LEU X O 1 ATOM 1268 C CB . LEU A 1 161 ? -4.031 26.442 56.397 1.00 5.18 ? 165 LEU X CB 1 ATOM 1269 C CG . LEU A 1 161 ? -3.052 26.464 55.218 1.00 4.87 ? 165 LEU X CG 1 ATOM 1270 C CD1 . LEU A 1 161 ? -2.259 27.750 55.228 1.00 6.30 ? 165 LEU X CD1 1 ATOM 1271 C CD2 . LEU A 1 161 ? -2.143 25.245 55.197 1.00 4.90 ? 165 LEU X CD2 1 ATOM 1272 N N . GLU A 1 162 ? -6.970 24.887 57.672 1.00 7.66 ? 166 GLU X N 1 ATOM 1273 C CA . GLU A 1 162 ? -8.020 24.925 58.698 1.00 9.44 ? 166 GLU X CA 1 ATOM 1274 C C . GLU A 1 162 ? -8.675 23.553 58.880 1.00 10.12 ? 166 GLU X C 1 ATOM 1275 O O . GLU A 1 162 ? -9.866 23.475 59.202 1.00 10.52 ? 166 GLU X O 1 ATOM 1276 C CB . GLU A 1 162 ? -9.092 25.940 58.304 1.00 10.34 ? 166 GLU X CB 1 ATOM 1277 C CG . GLU A 1 162 ? -8.566 27.355 58.134 1.00 11.18 ? 166 GLU X CG 1 ATOM 1278 C CD . GLU A 1 162 ? -9.545 28.262 57.409 1.00 12.76 ? 166 GLU X CD 1 ATOM 1279 O OE1 . GLU A 1 162 ? -9.636 28.205 56.165 1.00 14.81 ? 166 GLU X OE1 1 ATOM 1280 O OE2 . GLU A 1 162 ? -10.252 29.037 58.083 1.00 12.96 ? 166 GLU X OE2 1 ATOM 1281 N N . ASP A 1 163 ? -7.917 22.479 58.671 1.00 10.20 ? 167 ASP X N 1 ATOM 1282 C CA . ASP A 1 163 ? -8.417 21.109 58.871 1.00 11.17 ? 167 ASP X CA 1 ATOM 1283 C C . ASP A 1 163 ? -9.617 20.759 57.979 1.00 11.17 ? 167 ASP X C 1 ATOM 1284 O O . ASP A 1 163 ? -10.473 19.944 58.359 1.00 11.58 ? 167 ASP X O 1 ATOM 1285 C CB . ASP A 1 163 ? -8.754 20.857 60.357 1.00 11.47 ? 167 ASP X CB 1 ATOM 1286 C CG . ASP A 1 163 ? -7.628 21.265 61.299 1.00 12.15 ? 167 ASP X CG 1 ATOM 1287 O OD1 . ASP A 1 163 ? -6.453 20.968 60.993 1.00 12.29 ? 167 ASP X OD1 1 ATOM 1288 O OD2 . ASP A 1 163 ? -7.920 21.878 62.357 1.00 14.28 ? 167 ASP X OD2 1 ATOM 1289 N N . SER A 1 164 ? -9.676 21.358 56.792 1.00 10.18 ? 168 SER X N 1 ATOM 1290 C CA . SER A 1 164 ? -10.844 21.226 55.927 1.00 9.61 ? 168 SER X CA 1 ATOM 1291 C C . SER A 1 164 ? -10.456 21.035 54.444 1.00 8.31 ? 168 SER X C 1 ATOM 1292 O O . SER A 1 164 ? -9.388 20.499 54.137 1.00 8.82 ? 168 SER X O 1 ATOM 1293 C CB . SER A 1 164 ? -11.772 22.423 56.145 1.00 9.55 ? 168 SER X CB 1 ATOM 1294 O OG . SER A 1 164 ? -13.030 22.228 55.532 1.00 9.44 ? 168 SER X OG 1 ATOM 1295 N N . SER A 1 165 ? -11.335 21.462 53.536 1.00 7.37 ? 169 SER X N 1 ATOM 1296 C CA . SER A 1 165 ? -11.195 21.182 52.113 1.00 7.37 ? 169 SER X CA 1 ATOM 1297 C C . SER A 1 165 ? -9.803 21.452 51.585 1.00 7.02 ? 169 SER X C 1 ATOM 1298 O O . SER A 1 165 ? -9.230 22.516 51.832 1.00 6.69 ? 169 SER X O 1 ATOM 1299 C CB . SER A 1 165 ? -12.215 21.973 51.303 1.00 6.82 ? 169 SER X CB 1 ATOM 1300 O OG . SER A 1 165 ? -13.508 21.725 51.811 1.00 7.85 ? 169 SER X OG 1 ATOM 1301 N N . ASN A 1 166 ? -9.290 20.483 50.830 1.00 6.57 ? 170 ASN X N 1 ATOM 1302 C CA . ASN A 1 166 ? -7.887 20.447 50.441 1.00 7.09 ? 170 ASN X CA 1 ATOM 1303 C C . ASN A 1 166 ? -7.772 19.778 49.080 1.00 7.35 ? 170 ASN X C 1 ATOM 1304 O O . ASN A 1 166 ? -8.402 18.748 48.824 1.00 8.28 ? 170 ASN X O 1 ATOM 1305 C CB . ASN A 1 166 ? -7.134 19.655 51.519 1.00 7.21 ? 170 ASN X CB 1 ATOM 1306 C CG . ASN A 1 166 ? -5.641 19.489 51.247 1.00 7.13 ? 170 ASN X CG 1 ATOM 1307 O OD1 . ASN A 1 166 ? -5.028 20.201 50.442 1.00 5.87 ? 170 ASN X OD1 1 ATOM 1308 N ND2 . ASN A 1 166 ? -5.043 18.536 51.956 1.00 9.41 ? 170 ASN X ND2 1 ATOM 1309 N N . LEU A 1 167 ? -7.006 20.381 48.183 1.00 7.13 ? 171 LEU X N 1 ATOM 1310 C CA . LEU A 1 167 ? -6.797 19.801 46.864 1.00 7.01 ? 171 LEU X CA 1 ATOM 1311 C C . LEU A 1 167 ? -5.628 18.827 46.809 1.00 7.44 ? 171 LEU X C 1 ATOM 1312 O O . LEU A 1 167 ? -5.460 18.126 45.813 1.00 8.08 ? 171 LEU X O 1 ATOM 1313 C CB . LEU A 1 167 ? -6.575 20.911 45.833 1.00 7.23 ? 171 LEU X CB 1 ATOM 1314 C CG . LEU A 1 167 ? -7.653 21.974 45.642 1.00 7.53 ? 171 LEU X CG 1 ATOM 1315 C CD1 . LEU A 1 167 ? -7.197 23.018 44.635 1.00 10.08 ? 171 LEU X CD1 1 ATOM 1316 C CD2 . LEU A 1 167 ? -8.952 21.322 45.177 1.00 9.98 ? 171 LEU X CD2 1 ATOM 1317 N N . SER A 1 168 ? -4.809 18.815 47.861 1.00 6.99 ? 172 SER X N 1 ATOM 1318 C CA . SER A 1 168 ? -3.474 18.211 47.807 1.00 6.58 ? 172 SER X CA 1 ATOM 1319 C C . SER A 1 168 ? -3.367 16.789 48.335 1.00 7.17 ? 172 SER X C 1 ATOM 1320 O O . SER A 1 168 ? -2.315 16.171 48.197 1.00 6.68 ? 172 SER X O 1 ATOM 1321 C CB . SER A 1 168 ? -2.454 19.072 48.566 1.00 6.99 ? 172 SER X CB 1 ATOM 1322 O OG . SER A 1 168 ? -2.527 20.438 48.188 1.00 6.18 ? 172 SER X OG 1 ATOM 1323 N N . GLY A 1 169 ? -4.425 16.286 48.967 1.00 7.11 ? 173 GLY X N 1 ATOM 1324 C CA . GLY A 1 169 ? -4.396 14.949 49.573 1.00 7.93 ? 173 GLY X CA 1 ATOM 1325 C C . GLY A 1 169 ? -3.676 14.897 50.914 1.00 8.10 ? 173 GLY X C 1 ATOM 1326 O O . GLY A 1 169 ? -4.275 14.553 51.933 1.00 8.84 ? 173 GLY X O 1 ATOM 1327 N N . PHE A 1 170 ? -2.386 15.220 50.922 1.00 7.19 ? 174 PHE X N 1 ATOM 1328 C CA . PHE A 1 170 ? -1.625 15.217 52.172 1.00 6.41 ? 174 PHE X CA 1 ATOM 1329 C C . PHE A 1 170 ? -2.084 16.287 53.169 1.00 6.30 ? 174 PHE X C 1 ATOM 1330 O O . PHE A 1 170 ? -2.795 17.239 52.808 1.00 6.97 ? 174 PHE X O 1 ATOM 1331 C CB . PHE A 1 170 ? -0.125 15.367 51.903 1.00 6.77 ? 174 PHE X CB 1 ATOM 1332 C CG . PHE A 1 170 ? 0.249 16.661 51.239 1.00 6.72 ? 174 PHE X CG 1 ATOM 1333 C CD1 . PHE A 1 170 ? 0.361 17.825 51.990 1.00 6.53 ? 174 PHE X CD1 1 ATOM 1334 C CD2 . PHE A 1 170 ? 0.488 16.717 49.863 1.00 7.43 ? 174 PHE X CD2 1 ATOM 1335 C CE1 . PHE A 1 170 ? 0.712 19.026 51.401 1.00 6.07 ? 174 PHE X CE1 1 ATOM 1336 C CE2 . PHE A 1 170 ? 0.854 17.929 49.261 1.00 7.29 ? 174 PHE X CE2 1 ATOM 1337 C CZ . PHE A 1 170 ? 0.952 19.082 50.034 1.00 7.62 ? 174 PHE X CZ 1 ATOM 1338 N N . SER A 1 171 ? -1.664 16.124 54.423 1.00 5.60 ? 175 SER X N 1 ATOM 1339 C CA . SER A 1 171 ? -1.995 17.066 55.481 1.00 5.75 ? 175 SER X CA 1 ATOM 1340 C C . SER A 1 171 ? -0.968 18.203 55.570 1.00 5.63 ? 175 SER X C 1 ATOM 1341 O O . SER A 1 171 ? 0.234 17.957 55.713 1.00 5.56 ? 175 SER X O 1 ATOM 1342 C CB . SER A 1 171 ? -2.086 16.332 56.821 1.00 6.30 ? 175 SER X CB 1 ATOM 1343 O OG . SER A 1 171 ? -2.060 17.270 57.883 1.00 7.10 ? 175 SER X OG 1 ATOM 1344 N N . TYR A 1 172 ? -1.444 19.447 55.523 1.00 5.07 ? 176 TYR X N 1 ATOM 1345 C CA . TYR A 1 172 ? -0.561 20.597 55.682 1.00 5.60 ? 176 TYR X CA 1 ATOM 1346 C C . TYR A 1 172 ? -0.119 20.787 57.126 1.00 6.07 ? 176 TYR X C 1 ATOM 1347 O O . TYR A 1 172 ? 0.942 21.342 57.368 1.00 5.62 ? 176 TYR X O 1 ATOM 1348 C CB . TYR A 1 172 ? -1.212 21.867 55.131 1.00 5.46 ? 176 TYR X CB 1 ATOM 1349 C CG . TYR A 1 172 ? -1.114 21.935 53.626 1.00 5.85 ? 176 TYR X CG 1 ATOM 1350 C CD1 . TYR A 1 172 ? -2.107 21.370 52.823 1.00 4.73 ? 176 TYR X CD1 1 ATOM 1351 C CD2 . TYR A 1 172 ? -0.017 22.535 53.000 1.00 5.74 ? 176 TYR X CD2 1 ATOM 1352 C CE1 . TYR A 1 172 ? -2.019 21.394 51.448 1.00 5.13 ? 176 TYR X CE1 1 ATOM 1353 C CE2 . TYR A 1 172 ? 0.091 22.561 51.615 1.00 5.70 ? 176 TYR X CE2 1 ATOM 1354 C CZ . TYR A 1 172 ? -0.923 21.997 50.850 1.00 5.08 ? 176 TYR X CZ 1 ATOM 1355 O OH . TYR A 1 172 ? -0.825 22.029 49.479 1.00 5.63 ? 176 TYR X OH 1 ATOM 1356 N N . THR A 1 173 ? -0.924 20.344 58.093 1.00 6.54 ? 177 THR X N 1 ATOM 1357 C CA A THR A 1 173 ? -0.476 20.446 59.483 0.50 6.41 ? 177 THR X CA 1 ATOM 1358 C CA B THR A 1 173 ? -0.540 20.400 59.504 0.50 7.18 ? 177 THR X CA 1 ATOM 1359 C C . THR A 1 173 ? 0.618 19.417 59.754 1.00 7.13 ? 177 THR X C 1 ATOM 1360 O O . THR A 1 173 ? 1.602 19.744 60.408 1.00 7.43 ? 177 THR X O 1 ATOM 1361 C CB A THR A 1 173 ? -1.594 20.311 60.513 0.50 6.76 ? 177 THR X CB 1 ATOM 1362 C CB B THR A 1 173 ? -1.757 20.124 60.431 0.50 7.64 ? 177 THR X CB 1 ATOM 1363 O OG1 A THR A 1 173 ? -2.359 19.151 60.206 0.50 4.90 ? 177 THR X OG1 1 ATOM 1364 O OG1 B THR A 1 173 ? -2.676 21.223 60.352 0.50 9.45 ? 177 THR X OG1 1 ATOM 1365 C CG2 A THR A 1 173 ? -2.495 21.554 60.525 0.50 7.07 ? 177 THR X CG2 1 ATOM 1366 C CG2 B THR A 1 173 ? -1.322 19.964 61.886 0.50 9.03 ? 177 THR X CG2 1 ATOM 1367 N N . ALA A 1 174 ? 0.498 18.205 59.213 1.00 6.61 ? 178 ALA X N 1 ATOM 1368 C CA . ALA A 1 174 ? 1.577 17.217 59.336 1.00 6.83 ? 178 ALA X CA 1 ATOM 1369 C C . ALA A 1 174 ? 2.840 17.726 58.636 1.00 6.35 ? 178 ALA X C 1 ATOM 1370 O O . ALA A 1 174 ? 3.938 17.635 59.188 1.00 6.82 ? 178 ALA X O 1 ATOM 1371 C CB . ALA A 1 174 ? 1.152 15.887 58.759 1.00 7.16 ? 178 ALA X CB 1 ATOM 1372 N N . LEU A 1 175 ? 2.689 18.246 57.415 1.00 6.08 ? 179 LEU X N 1 ATOM 1373 C CA . LEU A 1 175 ? 3.821 18.821 56.675 1.00 6.33 ? 179 LEU X CA 1 ATOM 1374 C C . LEU A 1 175 ? 4.522 19.932 57.454 1.00 5.86 ? 179 LEU X C 1 ATOM 1375 O O . LEU A 1 175 ? 5.763 19.973 57.524 1.00 6.38 ? 179 LEU X O 1 ATOM 1376 C CB . LEU A 1 175 ? 3.363 19.346 55.314 1.00 6.12 ? 179 LEU X CB 1 ATOM 1377 C CG . LEU A 1 175 ? 4.443 19.920 54.394 1.00 6.46 ? 179 LEU X CG 1 ATOM 1378 C CD1 . LEU A 1 175 ? 5.452 18.861 54.019 1.00 7.50 ? 179 LEU X CD1 1 ATOM 1379 C CD2 . LEU A 1 175 ? 3.807 20.514 53.149 1.00 7.69 ? 179 LEU X CD2 1 ATOM 1380 N N . GLN A 1 176 ? 3.738 20.840 58.034 1.00 6.28 ? 180 GLN X N 1 ATOM 1381 C CA . GLN A 1 176 ? 4.321 21.930 58.810 1.00 6.45 ? 180 GLN X CA 1 ATOM 1382 C C . GLN A 1 176 ? 5.129 21.363 59.982 1.00 6.80 ? 180 GLN X C 1 ATOM 1383 O O . GLN A 1 176 ? 6.233 21.842 60.273 1.00 6.37 ? 180 GLN X O 1 ATOM 1384 C CB . GLN A 1 176 ? 3.243 22.928 59.281 1.00 6.94 ? 180 GLN X CB 1 ATOM 1385 C CG . GLN A 1 176 ? 3.701 23.938 60.347 1.00 7.74 ? 180 GLN X CG 1 ATOM 1386 C CD . GLN A 1 176 ? 4.817 24.863 59.887 1.00 8.70 ? 180 GLN X CD 1 ATOM 1387 O OE1 . GLN A 1 176 ? 4.819 25.349 58.750 1.00 11.02 ? 180 GLN X OE1 1 ATOM 1388 N NE2 . GLN A 1 176 ? 5.754 25.143 60.779 1.00 9.12 ? 180 GLN X NE2 1 ATOM 1389 N N . GLN A 1 177 ? 4.602 20.332 60.638 1.00 6.21 ? 181 GLN X N 1 ATOM 1390 C CA . GLN A 1 177 ? 5.338 19.742 61.760 1.00 7.00 ? 181 GLN X CA 1 ATOM 1391 C C . GLN A 1 177 ? 6.694 19.144 61.358 1.00 7.04 ? 181 GLN X C 1 ATOM 1392 O O . GLN A 1 177 ? 7.702 19.376 62.025 1.00 6.59 ? 181 GLN X O 1 ATOM 1393 C CB . GLN A 1 177 ? 4.496 18.698 62.480 1.00 7.65 ? 181 GLN X CB 1 ATOM 1394 C CG . GLN A 1 177 ? 3.273 19.298 63.172 1.00 9.58 ? 181 GLN X CG 1 ATOM 1395 C CD . GLN A 1 177 ? 2.565 18.332 64.092 1.00 12.87 ? 181 GLN X CD 1 ATOM 1396 O OE1 . GLN A 1 177 ? 3.162 17.372 64.574 1.00 15.15 ? 181 GLN X OE1 1 ATOM 1397 N NE2 . GLN A 1 177 ? 1.284 18.589 64.353 1.00 13.58 ? 181 GLN X NE2 1 ATOM 1398 N N . THR A 1 178 ? 6.727 18.385 60.264 1.00 6.43 ? 182 THR X N 1 ATOM 1399 C CA . THR A 1 178 ? 7.932 17.621 59.885 1.00 6.95 ? 182 THR X CA 1 ATOM 1400 C C . THR A 1 178 ? 8.899 18.414 58.991 1.00 7.17 ? 182 THR X C 1 ATOM 1401 O O . THR A 1 178 ? 10.121 18.266 59.115 1.00 7.47 ? 182 THR X O 1 ATOM 1402 C CB . THR A 1 178 ? 7.565 16.282 59.209 1.00 6.90 ? 182 THR X CB 1 ATOM 1403 O OG1 . THR A 1 178 ? 6.729 16.548 58.084 1.00 6.61 ? 182 THR X OG1 1 ATOM 1404 C CG2 . THR A 1 178 ? 6.816 15.365 60.159 1.00 7.96 ? 182 THR X CG2 1 ATOM 1405 N N . GLN A 1 179 ? 8.355 19.271 58.121 1.00 6.68 ? 183 GLN X N 1 ATOM 1406 C CA . GLN A 1 179 ? 9.147 20.023 57.135 1.00 7.14 ? 183 GLN X CA 1 ATOM 1407 C C . GLN A 1 179 ? 8.968 21.532 57.231 1.00 7.09 ? 183 GLN X C 1 ATOM 1408 O O . GLN A 1 179 ? 9.493 22.258 56.385 1.00 7.19 ? 183 GLN X O 1 ATOM 1409 C CB . GLN A 1 179 ? 8.845 19.564 55.695 1.00 7.57 ? 183 GLN X CB 1 ATOM 1410 C CG . GLN A 1 179 ? 9.724 18.420 55.232 1.00 9.56 ? 183 GLN X CG 1 ATOM 1411 C CD . GLN A 1 179 ? 9.308 17.096 55.839 1.00 10.95 ? 183 GLN X CD 1 ATOM 1412 O OE1 . GLN A 1 179 ? 8.117 16.793 55.913 1.00 12.68 ? 183 GLN X OE1 1 ATOM 1413 N NE2 . GLN A 1 179 ? 10.276 16.293 56.250 1.00 11.54 ? 183 GLN X NE2 1 ATOM 1414 N N . GLY A 1 180 ? 8.272 22.018 58.261 1.00 7.28 ? 184 GLY X N 1 ATOM 1415 C CA . GLY A 1 180 ? 7.983 23.453 58.373 1.00 7.52 ? 184 GLY X CA 1 ATOM 1416 C C . GLY A 1 180 ? 9.200 24.353 58.361 1.00 8.03 ? 184 GLY X C 1 ATOM 1417 O O . GLY A 1 180 ? 9.163 25.451 57.814 1.00 7.49 ? 184 GLY X O 1 ATOM 1418 N N . ASN A 1 181 ? 10.283 23.895 58.977 1.00 8.47 ? 185 ASN X N 1 ATOM 1419 C CA . ASN A 1 181 ? 11.535 24.655 58.974 1.00 9.16 ? 185 ASN X CA 1 ATOM 1420 C C . ASN A 1 181 ? 12.189 24.721 57.592 1.00 9.36 ? 185 ASN X C 1 ATOM 1421 O O . ASN A 1 181 ? 13.097 25.519 57.382 1.00 10.23 ? 185 ASN X O 1 ATOM 1422 C CB . ASN A 1 181 ? 12.520 24.069 59.992 1.00 9.77 ? 185 ASN X CB 1 ATOM 1423 C CG . ASN A 1 181 ? 12.942 22.655 59.644 1.00 11.04 ? 185 ASN X CG 1 ATOM 1424 O OD1 . ASN A 1 181 ? 12.112 21.824 59.259 1.00 12.13 ? 185 ASN X OD1 1 ATOM 1425 N ND2 . ASN A 1 181 ? 14.233 22.367 59.790 1.00 16.12 ? 185 ASN X ND2 1 ATOM 1426 N N . ASP A 1 182 ? 11.737 23.872 56.668 1.00 8.27 ? 186 ASP X N 1 ATOM 1427 C CA . ASP A 1 182 ? 12.239 23.844 55.292 1.00 8.47 ? 186 ASP X CA 1 ATOM 1428 C C . ASP A 1 182 ? 11.335 24.629 54.346 1.00 7.53 ? 186 ASP X C 1 ATOM 1429 O O . ASP A 1 182 ? 11.634 24.763 53.161 1.00 7.75 ? 186 ASP X O 1 ATOM 1430 C CB . ASP A 1 182 ? 12.301 22.412 54.769 1.00 8.75 ? 186 ASP X CB 1 ATOM 1431 C CG . ASP A 1 182 ? 13.177 21.502 55.598 1.00 10.87 ? 186 ASP X CG 1 ATOM 1432 O OD1 . ASP A 1 182 ? 14.044 21.972 56.366 1.00 11.88 ? 186 ASP X OD1 1 ATOM 1433 O OD2 . ASP A 1 182 ? 12.992 20.276 55.469 1.00 13.19 ? 186 ASP X OD2 1 ATOM 1434 N N . ILE A 1 183 ? 10.220 25.139 54.857 1.00 6.11 ? 187 ILE X N 1 ATOM 1435 C CA . ILE A 1 183 ? 9.214 25.801 54.024 1.00 5.93 ? 187 ILE X CA 1 ATOM 1436 C C . ILE A 1 183 ? 9.213 27.269 54.402 1.00 5.49 ? 187 ILE X C 1 ATOM 1437 O O . ILE A 1 183 ? 9.034 27.614 55.566 1.00 6.73 ? 187 ILE X O 1 ATOM 1438 C CB . ILE A 1 183 ? 7.815 25.171 54.234 1.00 5.72 ? 187 ILE X CB 1 ATOM 1439 C CG1 . ILE A 1 183 ? 7.793 23.726 53.719 1.00 6.64 ? 187 ILE X CG1 1 ATOM 1440 C CG2 . ILE A 1 183 ? 6.741 26.027 53.565 1.00 5.92 ? 187 ILE X CG2 1 ATOM 1441 C CD1 . ILE A 1 183 ? 6.643 22.898 54.256 1.00 6.56 ? 187 ILE X CD1 1 ATOM 1442 N N . ASP A 1 184 ? 9.415 28.130 53.418 1.00 4.71 ? 188 ASP X N 1 ATOM 1443 C CA . ASP A 1 184 ? 9.523 29.562 53.699 1.00 5.13 ? 188 ASP X CA 1 ATOM 1444 C C . ASP A 1 184 ? 8.179 30.238 53.938 1.00 4.48 ? 188 ASP X C 1 ATOM 1445 O O . ASP A 1 184 ? 8.072 31.077 54.828 1.00 5.78 ? 188 ASP X O 1 ATOM 1446 C CB . ASP A 1 184 ? 10.365 30.275 52.636 1.00 5.89 ? 188 ASP X CB 1 ATOM 1447 C CG . ASP A 1 184 ? 11.766 29.757 52.610 1.00 5.72 ? 188 ASP X CG 1 ATOM 1448 O OD1 . ASP A 1 184 ? 12.548 30.118 53.521 1.00 9.78 ? 188 ASP X OD1 1 ATOM 1449 O OD2 . ASP A 1 184 ? 12.097 28.919 51.755 1.00 6.67 ? 188 ASP X OD2 1 ATOM 1450 N N . TRP A 1 185 ? 7.168 29.873 53.145 1.00 4.38 ? 189 TRP X N 1 ATOM 1451 C CA . TRP A 1 185 ? 5.809 30.374 53.362 1.00 3.87 ? 189 TRP X CA 1 ATOM 1452 C C . TRP A 1 185 ? 4.798 29.589 52.541 1.00 3.84 ? 189 TRP X C 1 ATOM 1453 O O . TRP A 1 185 ? 5.169 28.756 51.695 1.00 3.84 ? 189 TRP X O 1 ATOM 1454 C CB . TRP A 1 185 ? 5.683 31.892 53.091 1.00 4.07 ? 189 TRP X CB 1 ATOM 1455 C CG . TRP A 1 185 ? 5.694 32.291 51.643 1.00 3.83 ? 189 TRP X CG 1 ATOM 1456 C CD1 . TRP A 1 185 ? 4.618 32.341 50.801 1.00 4.41 ? 189 TRP X CD1 1 ATOM 1457 C CD2 . TRP A 1 185 ? 6.830 32.709 50.868 1.00 4.71 ? 189 TRP X CD2 1 ATOM 1458 N NE1 . TRP A 1 185 ? 5.003 32.752 49.554 1.00 4.59 ? 189 TRP X NE1 1 ATOM 1459 C CE2 . TRP A 1 185 ? 6.353 32.998 49.570 1.00 4.13 ? 189 TRP X CE2 1 ATOM 1460 C CE3 . TRP A 1 185 ? 8.201 32.862 51.138 1.00 4.58 ? 189 TRP X CE3 1 ATOM 1461 C CZ2 . TRP A 1 185 ? 7.194 33.407 48.536 1.00 4.86 ? 189 TRP X CZ2 1 ATOM 1462 C CZ3 . TRP A 1 185 ? 9.032 33.289 50.115 1.00 6.03 ? 189 TRP X CZ3 1 ATOM 1463 C CH2 . TRP A 1 185 ? 8.523 33.553 48.825 1.00 5.17 ? 189 TRP X CH2 1 ATOM 1464 N N . TYR A 1 186 ? 3.526 29.871 52.820 1.00 3.57 ? 190 TYR X N 1 ATOM 1465 C CA . TYR A 1 186 ? 2.393 29.273 52.141 1.00 3.80 ? 190 TYR X CA 1 ATOM 1466 C C . TYR A 1 186 ? 1.654 30.346 51.344 1.00 3.46 ? 190 TYR X C 1 ATOM 1467 O O . TYR A 1 186 ? 1.156 31.329 51.916 1.00 4.26 ? 190 TYR X O 1 ATOM 1468 C CB . TYR A 1 186 ? 1.457 28.617 53.165 1.00 4.19 ? 190 TYR X CB 1 ATOM 1469 C CG . TYR A 1 186 ? 2.123 27.549 54.013 1.00 4.30 ? 190 TYR X CG 1 ATOM 1470 C CD1 . TYR A 1 186 ? 2.240 26.242 53.541 1.00 5.58 ? 190 TYR X CD1 1 ATOM 1471 C CD2 . TYR A 1 186 ? 2.629 27.844 55.287 1.00 5.45 ? 190 TYR X CD2 1 ATOM 1472 C CE1 . TYR A 1 186 ? 2.860 25.266 54.292 1.00 6.59 ? 190 TYR X CE1 1 ATOM 1473 C CE2 . TYR A 1 186 ? 3.254 26.852 56.057 1.00 5.72 ? 190 TYR X CE2 1 ATOM 1474 C CZ . TYR A 1 186 ? 3.347 25.569 55.552 1.00 6.50 ? 190 TYR X CZ 1 ATOM 1475 O OH . TYR A 1 186 ? 3.970 24.602 56.319 1.00 8.53 ? 190 TYR X OH 1 ATOM 1476 N N . ASN A 1 187 ? 1.623 30.166 50.026 1.00 3.44 ? 191 ASN X N 1 ATOM 1477 C CA . ASN A 1 187 ? 0.865 31.018 49.113 1.00 3.73 ? 191 ASN X CA 1 ATOM 1478 C C . ASN A 1 187 ? -0.583 30.589 49.218 1.00 4.06 ? 191 ASN X C 1 ATOM 1479 O O . ASN A 1 187 ? -1.046 29.709 48.489 1.00 4.51 ? 191 ASN X O 1 ATOM 1480 C CB . ASN A 1 187 ? 1.381 30.817 47.690 1.00 4.38 ? 191 ASN X CB 1 ATOM 1481 C CG . ASN A 1 187 ? 2.760 31.387 47.499 1.00 3.72 ? 191 ASN X CG 1 ATOM 1482 O OD1 . ASN A 1 187 ? 2.965 32.595 47.655 1.00 5.09 ? 191 ASN X OD1 1 ATOM 1483 N ND2 . ASN A 1 187 ? 3.723 30.516 47.182 1.00 5.49 ? 191 ASN X ND2 1 ATOM 1484 N N . THR A 1 188 ? -1.292 31.192 50.163 1.00 3.86 ? 192 THR X N 1 ATOM 1485 C CA . THR A 1 188 ? -2.546 30.601 50.620 1.00 4.60 ? 192 THR X CA 1 ATOM 1486 C C . THR A 1 188 ? -3.711 31.108 49.775 1.00 3.80 ? 192 THR X C 1 ATOM 1487 O O . THR A 1 188 ? -3.926 32.317 49.652 1.00 4.45 ? 192 THR X O 1 ATOM 1488 C CB . THR A 1 188 ? -2.738 30.837 52.132 1.00 3.69 ? 192 THR X CB 1 ATOM 1489 O OG1 . THR A 1 188 ? -1.600 30.331 52.841 1.00 5.05 ? 192 THR X OG1 1 ATOM 1490 C CG2 . THR A 1 188 ? -3.944 30.099 52.665 1.00 5.50 ? 192 THR X CG2 1 ATOM 1491 N N . GLN A 1 189 ? -4.424 30.176 49.143 1.00 3.78 ? 193 GLN X N 1 ATOM 1492 C CA . GLN A 1 189 ? -5.432 30.558 48.156 1.00 4.51 ? 193 GLN X CA 1 ATOM 1493 C C . GLN A 1 189 ? -6.776 30.879 48.824 1.00 4.71 ? 193 GLN X C 1 ATOM 1494 O O . GLN A 1 189 ? -7.553 29.969 49.141 1.00 4.85 ? 193 GLN X O 1 ATOM 1495 C CB . GLN A 1 189 ? -5.580 29.468 47.088 1.00 4.51 ? 193 GLN X CB 1 ATOM 1496 C CG . GLN A 1 189 ? -4.247 28.955 46.538 1.00 6.16 ? 193 GLN X CG 1 ATOM 1497 C CD . GLN A 1 189 ? -4.399 28.088 45.302 1.00 5.44 ? 193 GLN X CD 1 ATOM 1498 O OE1 . GLN A 1 189 ? -5.216 28.393 44.437 1.00 7.46 ? 193 GLN X OE1 1 ATOM 1499 N NE2 . GLN A 1 189 ? -3.626 27.014 45.207 1.00 6.37 ? 193 GLN X NE2 1 ATOM 1500 N N . PHE A 1 190 ? -7.024 32.173 49.051 1.00 5.10 ? 194 PHE X N 1 ATOM 1501 C CA . PHE A 1 190 ? -8.303 32.668 49.583 1.00 5.57 ? 194 PHE X CA 1 ATOM 1502 C C . PHE A 1 190 ? -9.268 32.967 48.430 1.00 5.71 ? 194 PHE X C 1 ATOM 1503 O O . PHE A 1 190 ? -9.685 34.120 48.208 1.00 6.26 ? 194 PHE X O 1 ATOM 1504 C CB . PHE A 1 190 ? -8.109 33.929 50.447 1.00 5.75 ? 194 PHE X CB 1 ATOM 1505 C CG . PHE A 1 190 ? -7.362 33.692 51.745 1.00 5.54 ? 194 PHE X CG 1 ATOM 1506 C CD1 . PHE A 1 190 ? -5.964 33.687 51.782 1.00 4.74 ? 194 PHE X CD1 1 ATOM 1507 C CD2 . PHE A 1 190 ? -8.061 33.507 52.937 1.00 6.38 ? 194 PHE X CD2 1 ATOM 1508 C CE1 . PHE A 1 190 ? -5.285 33.483 52.978 1.00 6.03 ? 194 PHE X CE1 1 ATOM 1509 C CE2 . PHE A 1 190 ? -7.391 33.307 54.141 1.00 5.75 ? 194 PHE X CE2 1 ATOM 1510 C CZ . PHE A 1 190 ? -5.995 33.300 54.160 1.00 6.14 ? 194 PHE X CZ 1 ATOM 1511 N N . TYR A 1 191 ? -9.617 31.923 47.696 1.00 5.40 ? 195 TYR X N 1 ATOM 1512 C CA . TYR A 1 191 ? -10.520 32.035 46.556 1.00 5.40 ? 195 TYR X CA 1 ATOM 1513 C C . TYR A 1 191 ? -11.004 30.650 46.150 1.00 5.88 ? 195 TYR X C 1 ATOM 1514 O O . TYR A 1 191 ? -10.633 29.658 46.787 1.00 5.80 ? 195 TYR X O 1 ATOM 1515 C CB . TYR A 1 191 ? -9.873 32.798 45.389 1.00 6.00 ? 195 TYR X CB 1 ATOM 1516 C CG . TYR A 1 191 ? -8.448 32.432 45.017 1.00 4.55 ? 195 TYR X CG 1 ATOM 1517 C CD1 . TYR A 1 191 ? -8.173 31.425 44.084 1.00 5.07 ? 195 TYR X CD1 1 ATOM 1518 C CD2 . TYR A 1 191 ? -7.370 33.183 45.508 1.00 4.61 ? 195 TYR X CD2 1 ATOM 1519 C CE1 . TYR A 1 191 ? -6.850 31.123 43.692 1.00 5.31 ? 195 TYR X CE1 1 ATOM 1520 C CE2 . TYR A 1 191 ? -6.060 32.902 45.125 1.00 4.90 ? 195 TYR X CE2 1 ATOM 1521 C CZ . TYR A 1 191 ? -5.802 31.878 44.224 1.00 5.19 ? 195 TYR X CZ 1 ATOM 1522 O OH . TYR A 1 191 ? -4.490 31.639 43.866 1.00 6.42 ? 195 TYR X OH 1 ATOM 1523 N N . SER A 1 192 ? -11.858 30.599 45.122 1.00 6.13 ? 196 SER X N 1 ATOM 1524 C CA . SER A 1 192 ? -12.412 29.350 44.583 1.00 6.76 ? 196 SER X CA 1 ATOM 1525 C C . SER A 1 192 ? -13.315 28.617 45.565 1.00 6.79 ? 196 SER X C 1 ATOM 1526 O O . SER A 1 192 ? -13.651 27.449 45.355 1.00 9.14 ? 196 SER X O 1 ATOM 1527 C CB . SER A 1 192 ? -11.305 28.428 44.061 1.00 6.49 ? 196 SER X CB 1 ATOM 1528 O OG . SER A 1 192 ? -10.609 29.083 43.025 1.00 7.06 ? 196 SER X OG 1 ATOM 1529 N N . GLY A 1 193 ? -13.742 29.321 46.609 1.00 6.71 ? 197 GLY X N 1 ATOM 1530 C CA . GLY A 1 193 ? -14.637 28.756 47.609 1.00 6.03 ? 197 GLY X CA 1 ATOM 1531 C C . GLY A 1 193 ? -13.930 28.374 48.897 1.00 5.61 ? 197 GLY X C 1 ATOM 1532 O O . GLY A 1 193 ? -14.571 28.141 49.907 1.00 5.03 ? 197 GLY X O 1 ATOM 1533 N N . PHE A 1 194 ? -12.594 28.391 48.890 1.00 5.01 ? 198 PHE X N 1 ATOM 1534 C CA . PHE A 1 194 ? -11.792 27.797 49.970 1.00 5.10 ? 198 PHE X CA 1 ATOM 1535 C C . PHE A 1 194 ? -11.480 28.759 51.099 1.00 5.95 ? 198 PHE X C 1 ATOM 1536 O O . PHE A 1 194 ? -11.085 28.349 52.195 1.00 6.84 ? 198 PHE X O 1 ATOM 1537 C CB . PHE A 1 194 ? -10.512 27.189 49.398 1.00 5.52 ? 198 PHE X CB 1 ATOM 1538 C CG . PHE A 1 194 ? -10.778 26.086 48.429 1.00 4.90 ? 198 PHE X CG 1 ATOM 1539 C CD1 . PHE A 1 194 ? -11.371 24.892 48.858 1.00 6.30 ? 198 PHE X CD1 1 ATOM 1540 C CD2 . PHE A 1 194 ? -10.483 26.237 47.090 1.00 5.78 ? 198 PHE X CD2 1 ATOM 1541 C CE1 . PHE A 1 194 ? -11.652 23.877 47.959 1.00 6.33 ? 198 PHE X CE1 1 ATOM 1542 C CE2 . PHE A 1 194 ? -10.739 25.223 46.192 1.00 6.84 ? 198 PHE X CE2 1 ATOM 1543 C CZ . PHE A 1 194 ? -11.347 24.054 46.619 1.00 6.74 ? 198 PHE X CZ 1 ATOM 1544 N N . GLY A 1 195 ? -11.663 30.047 50.844 1.00 5.69 ? 199 GLY X N 1 ATOM 1545 C CA . GLY A 1 195 ? -11.398 31.064 51.864 1.00 5.85 ? 199 GLY X CA 1 ATOM 1546 C C . GLY A 1 195 ? -11.686 32.456 51.370 1.00 6.45 ? 199 GLY X C 1 ATOM 1547 O O . GLY A 1 195 ? -11.862 32.672 50.178 1.00 6.45 ? 199 GLY X O 1 ATOM 1548 N N . SER A 1 196 ? -11.703 33.406 52.294 1.00 6.21 ? 200 SER X N 1 ATOM 1549 C CA . SER A 1 196 ? -12.012 34.787 51.949 1.00 6.96 ? 200 SER X CA 1 ATOM 1550 C C . SER A 1 196 ? -11.178 35.779 52.738 1.00 6.25 ? 200 SER X C 1 ATOM 1551 O O . SER A 1 196 ? -11.013 35.636 53.954 1.00 6.23 ? 200 SER X O 1 ATOM 1552 C CB . SER A 1 196 ? -13.494 35.080 52.168 1.00 7.11 ? 200 SER X CB 1 ATOM 1553 O OG . SER A 1 196 ? -13.757 36.449 51.925 1.00 10.67 ? 200 SER X OG 1 ATOM 1554 N N . MET A 1 197 ? -10.663 36.776 52.028 1.00 6.86 ? 201 MET X N 1 ATOM 1555 C CA . MET A 1 197 ? -9.999 37.919 52.654 1.00 6.91 ? 201 MET X CA 1 ATOM 1556 C C . MET A 1 197 ? -10.942 39.109 52.874 1.00 7.36 ? 201 MET X C 1 ATOM 1557 O O . MET A 1 197 ? -10.472 40.205 53.164 1.00 8.00 ? 201 MET X O 1 ATOM 1558 C CB . MET A 1 197 ? -8.747 38.343 51.863 1.00 6.98 ? 201 MET X CB 1 ATOM 1559 C CG . MET A 1 197 ? -7.560 37.390 52.017 1.00 7.15 ? 201 MET X CG 1 ATOM 1560 S SD . MET A 1 197 ? -6.936 37.245 53.710 1.00 7.29 ? 201 MET X SD 1 ATOM 1561 C CE . MET A 1 197 ? -6.198 38.851 53.939 1.00 9.43 ? 201 MET X CE 1 ATOM 1562 N N . ALA A 1 198 ? -12.258 38.890 52.761 1.00 8.00 ? 202 ALA X N 1 ATOM 1563 C CA . ALA A 1 198 ? -13.238 39.973 52.984 1.00 8.47 ? 202 ALA X CA 1 ATOM 1564 C C . ALA A 1 198 ? -13.389 40.348 54.468 1.00 8.32 ? 202 ALA X C 1 ATOM 1565 O O . ALA A 1 198 ? -13.880 41.431 54.786 1.00 9.04 ? 202 ALA X O 1 ATOM 1566 C CB . ALA A 1 198 ? -14.596 39.635 52.365 1.00 9.32 ? 202 ALA X CB 1 ATOM 1567 N N . ASP A 1 199 ? -12.993 39.444 55.363 1.00 8.50 ? 203 ASP X N 1 ATOM 1568 C CA . ASP A 1 199 ? -12.789 39.769 56.782 1.00 8.82 ? 203 ASP X CA 1 ATOM 1569 C C . ASP A 1 199 ? -11.622 38.944 57.319 1.00 8.66 ? 203 ASP X C 1 ATOM 1570 O O . ASP A 1 199 ? -11.053 38.111 56.598 1.00 8.03 ? 203 ASP X O 1 ATOM 1571 C CB . ASP A 1 199 ? -14.077 39.593 57.622 1.00 10.18 ? 203 ASP X CB 1 ATOM 1572 C CG . ASP A 1 199 ? -14.599 38.164 57.640 1.00 11.97 ? 203 ASP X CG 1 ATOM 1573 O OD1 . ASP A 1 199 ? -13.809 37.194 57.695 1.00 12.21 ? 203 ASP X OD1 1 ATOM 1574 O OD2 . ASP A 1 199 ? -15.844 38.015 57.647 1.00 16.16 ? 203 ASP X OD2 1 ATOM 1575 N N . THR A 1 200 ? -11.260 39.170 58.573 1.00 8.04 ? 204 THR X N 1 ATOM 1576 C CA . THR A 1 200 ? -10.094 38.520 59.155 1.00 8.63 ? 204 THR X CA 1 ATOM 1577 C C . THR A 1 200 ? -10.307 37.079 59.606 1.00 8.04 ? 204 THR X C 1 ATOM 1578 O O . THR A 1 200 ? -9.354 36.420 60.017 1.00 8.04 ? 204 THR X O 1 ATOM 1579 C CB . THR A 1 200 ? -9.624 39.280 60.398 1.00 8.51 ? 204 THR X CB 1 ATOM 1580 O OG1 . THR A 1 200 ? -10.685 39.314 61.360 1.00 9.85 ? 204 THR X OG1 1 ATOM 1581 C CG2 . THR A 1 200 ? -9.207 40.688 60.048 1.00 9.86 ? 204 THR X CG2 1 ATOM 1582 N N . SER A 1 201 ? -11.548 36.586 59.559 1.00 7.80 ? 205 SER X N 1 ATOM 1583 C CA A SER A 1 201 ? -11.869 35.339 60.258 0.50 7.45 ? 205 SER X CA 1 ATOM 1584 C CA B SER A 1 201 ? -11.887 35.330 60.236 0.50 7.99 ? 205 SER X CA 1 ATOM 1585 C C . SER A 1 201 ? -11.065 34.134 59.767 1.00 7.31 ? 205 SER X C 1 ATOM 1586 O O . SER A 1 201 ? -10.535 33.359 60.585 1.00 6.85 ? 205 SER X O 1 ATOM 1587 C CB A SER A 1 201 ? -13.376 35.055 60.260 0.50 7.86 ? 205 SER X CB 1 ATOM 1588 C CB B SER A 1 201 ? -13.385 35.033 60.130 0.50 8.59 ? 205 SER X CB 1 ATOM 1589 O OG A SER A 1 201 ? -13.865 34.872 58.945 0.50 7.64 ? 205 SER X OG 1 ATOM 1590 O OG B SER A 1 201 ? -14.124 35.942 60.921 0.50 11.36 ? 205 SER X OG 1 ATOM 1591 N N . ASP A 1 202 ? -10.952 33.980 58.449 1.00 6.71 ? 206 ASP X N 1 ATOM 1592 C CA . ASP A 1 202 ? -10.215 32.836 57.904 1.00 6.76 ? 206 ASP X CA 1 ATOM 1593 C C . ASP A 1 202 ? -8.716 32.879 58.217 1.00 6.43 ? 206 ASP X C 1 ATOM 1594 O O . ASP A 1 202 ? -8.146 31.887 58.700 1.00 6.36 ? 206 ASP X O 1 ATOM 1595 C CB . ASP A 1 202 ? -10.470 32.697 56.403 1.00 6.56 ? 206 ASP X CB 1 ATOM 1596 C CG . ASP A 1 202 ? -11.928 32.340 56.084 1.00 8.81 ? 206 ASP X CG 1 ATOM 1597 O OD1 . ASP A 1 202 ? -12.701 32.029 57.024 1.00 8.48 ? 206 ASP X OD1 1 ATOM 1598 O OD2 . ASP A 1 202 ? -12.330 32.367 54.903 1.00 7.14 ? 206 ASP X OD2 1 ATOM 1599 N N . TYR A 1 203 ? -8.092 34.029 57.970 1.00 5.97 ? 207 TYR X N 1 ATOM 1600 C CA . TYR A 1 203 ? -6.680 34.212 58.280 1.00 6.34 ? 207 TYR X CA 1 ATOM 1601 C C . TYR A 1 203 ? -6.426 33.935 59.770 1.00 6.27 ? 207 TYR X C 1 ATOM 1602 O O . TYR A 1 203 ? -5.482 33.218 60.125 1.00 7.02 ? 207 TYR X O 1 ATOM 1603 C CB . TYR A 1 203 ? -6.223 35.621 57.868 1.00 6.87 ? 207 TYR X CB 1 ATOM 1604 C CG . TYR A 1 203 ? -4.722 35.809 57.783 1.00 6.20 ? 207 TYR X CG 1 ATOM 1605 C CD1 . TYR A 1 203 ? -3.947 35.966 58.930 1.00 6.66 ? 207 TYR X CD1 1 ATOM 1606 C CD2 . TYR A 1 203 ? -4.081 35.839 56.543 1.00 6.66 ? 207 TYR X CD2 1 ATOM 1607 C CE1 . TYR A 1 203 ? -2.571 36.137 58.844 1.00 5.73 ? 207 TYR X CE1 1 ATOM 1608 C CE2 . TYR A 1 203 ? -2.701 36.018 56.449 1.00 6.01 ? 207 TYR X CE2 1 ATOM 1609 C CZ . TYR A 1 203 ? -1.964 36.172 57.606 1.00 5.97 ? 207 TYR X CZ 1 ATOM 1610 O OH . TYR A 1 203 ? -0.601 36.338 57.576 1.00 5.69 ? 207 TYR X OH 1 ATOM 1611 N N . ASP A 1 204 ? -7.280 34.480 60.638 1.00 6.79 ? 208 ASP X N 1 ATOM 1612 C CA . ASP A 1 204 ? -7.150 34.251 62.089 1.00 7.14 ? 208 ASP X CA 1 ATOM 1613 C C . ASP A 1 204 ? -7.281 32.768 62.461 1.00 6.92 ? 208 ASP X C 1 ATOM 1614 O O . ASP A 1 204 ? -6.564 32.272 63.329 1.00 7.36 ? 208 ASP X O 1 ATOM 1615 C CB . ASP A 1 204 ? -8.204 35.041 62.884 1.00 7.59 ? 208 ASP X CB 1 ATOM 1616 C CG . ASP A 1 204 ? -7.965 36.564 62.903 1.00 8.53 ? 208 ASP X CG 1 ATOM 1617 O OD1 . ASP A 1 204 ? -6.843 37.059 62.668 1.00 10.10 ? 208 ASP X OD1 1 ATOM 1618 O OD2 . ASP A 1 204 ? -8.942 37.281 63.197 1.00 9.43 ? 208 ASP X OD2 1 ATOM 1619 N N . ARG A 1 205 ? -8.213 32.068 61.818 1.00 6.75 ? 209 ARG X N 1 ATOM 1620 C CA . ARG A 1 205 ? -8.395 30.636 62.058 1.00 7.24 ? 209 ARG X CA 1 ATOM 1621 C C . ARG A 1 205 ? -7.142 29.837 61.654 1.00 6.59 ? 209 ARG X C 1 ATOM 1622 O O . ARG A 1 205 ? -6.721 28.900 62.348 1.00 7.46 ? 209 ARG X O 1 ATOM 1623 C CB . ARG A 1 205 ? -9.643 30.132 61.328 1.00 7.48 ? 209 ARG X CB 1 ATOM 1624 C CG . ARG A 1 205 ? -10.129 28.752 61.769 1.00 9.21 ? 209 ARG X CG 1 ATOM 1625 C CD . ARG A 1 205 ? -11.435 28.346 61.076 1.00 10.15 ? 209 ARG X CD 1 ATOM 1626 N NE . ARG A 1 205 ? -12.527 29.274 61.354 1.00 10.58 ? 209 ARG X NE 1 ATOM 1627 C CZ . ARG A 1 205 ? -13.032 30.154 60.494 1.00 10.14 ? 209 ARG X CZ 1 ATOM 1628 N NH1 . ARG A 1 205 ? -12.555 30.260 59.262 1.00 11.55 ? 209 ARG X NH1 1 ATOM 1629 N NH2 . ARG A 1 205 ? -14.025 30.947 60.881 1.00 11.16 ? 209 ARG X NH2 1 ATOM 1630 N N . ILE A 1 206 ? -6.539 30.224 60.533 1.00 6.54 ? 210 ILE X N 1 ATOM 1631 C CA . ILE A 1 206 ? -5.325 29.573 60.066 1.00 6.28 ? 210 ILE X CA 1 ATOM 1632 C C . ILE A 1 206 ? -4.189 29.784 61.083 1.00 6.88 ? 210 ILE X C 1 ATOM 1633 O O . ILE A 1 206 ? -3.482 28.839 61.443 1.00 7.15 ? 210 ILE X O 1 ATOM 1634 C CB . ILE A 1 206 ? -4.940 30.103 58.675 1.00 6.16 ? 210 ILE X CB 1 ATOM 1635 C CG1 . ILE A 1 206 ? -5.906 29.557 57.614 1.00 6.25 ? 210 ILE X CG1 1 ATOM 1636 C CG2 . ILE A 1 206 ? -3.499 29.752 58.351 1.00 5.56 ? 210 ILE X CG2 1 ATOM 1637 C CD1 . ILE A 1 206 ? -5.883 30.307 56.283 1.00 7.35 ? 210 ILE X CD1 1 ATOM 1638 N N . VAL A 1 207 ? -4.042 31.014 61.570 1.00 7.22 ? 211 VAL X N 1 ATOM 1639 C CA . VAL A 1 207 ? -3.011 31.317 62.569 1.00 8.19 ? 211 VAL X CA 1 ATOM 1640 C C . VAL A 1 207 ? -3.230 30.496 63.846 1.00 8.55 ? 211 VAL X C 1 ATOM 1641 O O . VAL A 1 207 ? -2.280 29.937 64.406 1.00 8.86 ? 211 VAL X O 1 ATOM 1642 C CB . VAL A 1 207 ? -2.921 32.826 62.873 1.00 8.40 ? 211 VAL X CB 1 ATOM 1643 C CG1 . VAL A 1 207 ? -2.008 33.085 64.074 1.00 8.93 ? 211 VAL X CG1 1 ATOM 1644 C CG2 . VAL A 1 207 ? -2.416 33.577 61.647 1.00 8.65 ? 211 VAL X CG2 1 ATOM 1645 N N . ALA A 1 208 ? -4.490 30.398 64.266 1.00 9.03 ? 212 ALA X N 1 ATOM 1646 C CA . ALA A 1 208 ? -4.853 29.618 65.457 1.00 9.57 ? 212 ALA X CA 1 ATOM 1647 C C . ALA A 1 208 ? -4.620 28.115 65.267 1.00 10.35 ? 212 ALA X C 1 ATOM 1648 O O . ALA A 1 208 ? -4.503 27.380 66.242 1.00 10.62 ? 212 ALA X O 1 ATOM 1649 C CB . ALA A 1 208 ? -6.297 29.896 65.845 1.00 10.25 ? 212 ALA X CB 1 ATOM 1650 N N . ASN A 1 209 ? -4.543 27.667 64.014 1.00 9.68 ? 213 ASN X N 1 ATOM 1651 C CA . ASN A 1 209 ? -4.264 26.270 63.675 1.00 9.75 ? 213 ASN X CA 1 ATOM 1652 C C . ASN A 1 209 ? -2.761 25.972 63.527 1.00 9.74 ? 213 ASN X C 1 ATOM 1653 O O . ASN A 1 209 ? -2.378 24.908 63.044 1.00 10.47 ? 213 ASN X O 1 ATOM 1654 C CB . ASN A 1 209 ? -5.021 25.846 62.404 1.00 9.28 ? 213 ASN X CB 1 ATOM 1655 C CG . ASN A 1 209 ? -5.279 24.348 62.357 1.00 8.74 ? 213 ASN X CG 1 ATOM 1656 O OD1 . ASN A 1 209 ? -5.491 23.711 63.400 1.00 9.93 ? 213 ASN X OD1 1 ATOM 1657 N ND2 . ASN A 1 209 ? -5.267 23.775 61.160 1.00 7.29 ? 213 ASN X ND2 1 ATOM 1658 N N . GLY A 1 210 ? -1.914 26.921 63.930 1.00 10.03 ? 214 GLY X N 1 ATOM 1659 C CA . GLY A 1 210 ? -0.470 26.695 64.003 1.00 10.84 ? 214 GLY X CA 1 ATOM 1660 C C . GLY A 1 210 ? 0.379 27.180 62.837 1.00 10.89 ? 214 GLY X C 1 ATOM 1661 O O . GLY A 1 210 ? 1.536 26.774 62.688 1.00 11.75 ? 214 GLY X O 1 ATOM 1662 N N . PHE A 1 211 ? -0.183 28.040 61.995 1.00 10.07 ? 215 PHE X N 1 ATOM 1663 C CA . PHE A 1 211 ? 0.573 28.604 60.873 1.00 9.66 ? 215 PHE X CA 1 ATOM 1664 C C . PHE A 1 211 ? 0.867 30.065 61.170 1.00 9.67 ? 215 PHE X C 1 ATOM 1665 O O . PHE A 1 211 ? -0.053 30.881 61.216 1.00 11.23 ? 215 PHE X O 1 ATOM 1666 C CB . PHE A 1 211 ? -0.180 28.427 59.542 1.00 9.54 ? 215 PHE X CB 1 ATOM 1667 C CG . PHE A 1 211 ? -0.423 26.988 59.185 1.00 7.96 ? 215 PHE X CG 1 ATOM 1668 C CD1 . PHE A 1 211 ? 0.551 26.241 58.517 1.00 8.10 ? 215 PHE X CD1 1 ATOM 1669 C CD2 . PHE A 1 211 ? -1.613 26.362 59.545 1.00 7.31 ? 215 PHE X CD2 1 ATOM 1670 C CE1 . PHE A 1 211 ? 0.334 24.896 58.216 1.00 8.02 ? 215 PHE X CE1 1 ATOM 1671 C CE2 . PHE A 1 211 ? -1.834 25.026 59.241 1.00 6.61 ? 215 PHE X CE2 1 ATOM 1672 C CZ . PHE A 1 211 ? -0.857 24.289 58.581 1.00 6.52 ? 215 PHE X CZ 1 ATOM 1673 N N . ALA A 1 212 ? 2.144 30.388 61.378 1.00 8.76 ? 216 ALA X N 1 ATOM 1674 C CA . ALA A 1 212 ? 2.560 31.739 61.766 1.00 8.25 ? 216 ALA X CA 1 ATOM 1675 C C . ALA A 1 212 ? 2.186 32.770 60.713 1.00 7.19 ? 216 ALA X C 1 ATOM 1676 O O . ALA A 1 212 ? 2.315 32.515 59.513 1.00 6.36 ? 216 ALA X O 1 ATOM 1677 C CB . ALA A 1 212 ? 4.068 31.779 62.018 1.00 8.61 ? 216 ALA X CB 1 ATOM 1678 N N . PRO A 1 213 ? 1.730 33.951 61.152 1.00 6.58 ? 217 PRO X N 1 ATOM 1679 C CA . PRO A 1 213 ? 1.424 35.011 60.191 1.00 6.62 ? 217 PRO X CA 1 ATOM 1680 C C . PRO A 1 213 ? 2.551 35.267 59.183 1.00 6.03 ? 217 PRO X C 1 ATOM 1681 O O . PRO A 1 213 ? 2.289 35.470 58.003 1.00 5.55 ? 217 PRO X O 1 ATOM 1682 C CB . PRO A 1 213 ? 1.223 36.244 61.083 1.00 7.17 ? 217 PRO X CB 1 ATOM 1683 C CG . PRO A 1 213 ? 0.706 35.688 62.348 1.00 7.99 ? 217 PRO X CG 1 ATOM 1684 C CD . PRO A 1 213 ? 1.433 34.374 62.540 1.00 7.42 ? 217 PRO X CD 1 ATOM 1685 N N . ALA A 1 214 ? 3.804 35.235 59.642 1.00 5.65 ? 218 ALA X N 1 ATOM 1686 C CA . ALA A 1 214 ? 4.950 35.428 58.756 1.00 6.13 ? 218 ALA X CA 1 ATOM 1687 C C . ALA A 1 214 ? 4.987 34.415 57.614 1.00 6.07 ? 218 ALA X C 1 ATOM 1688 O O . ALA A 1 214 ? 5.572 34.692 56.564 1.00 6.52 ? 218 ALA X O 1 ATOM 1689 C CB . ALA A 1 214 ? 6.267 35.389 59.549 1.00 6.47 ? 218 ALA X CB 1 ATOM 1690 N N . LYS A 1 215 ? 4.372 33.251 57.807 1.00 5.48 ? 219 LYS X N 1 ATOM 1691 C CA . LYS A 1 215 ? 4.371 32.221 56.761 1.00 5.47 ? 219 LYS X CA 1 ATOM 1692 C C . LYS A 1 215 ? 3.057 32.111 55.996 1.00 5.21 ? 219 LYS X C 1 ATOM 1693 O O . LYS A 1 215 ? 2.938 31.264 55.118 1.00 5.29 ? 219 LYS X O 1 ATOM 1694 C CB . LYS A 1 215 ? 4.729 30.862 57.347 1.00 6.71 ? 219 LYS X CB 1 ATOM 1695 C CG . LYS A 1 215 ? 6.074 30.826 58.017 1.00 9.13 ? 219 LYS X CG 1 ATOM 1696 C CD . LYS A 1 215 ? 6.293 29.445 58.573 1.00 11.59 ? 219 LYS X CD 1 ATOM 1697 C CE . LYS A 1 215 ? 6.869 28.606 57.477 1.00 12.83 ? 219 LYS X CE 1 ATOM 1698 N NZ . LYS A 1 215 ? 7.251 27.244 57.922 1.00 13.43 ? 219 LYS X NZ 1 ATOM 1699 N N . VAL A 1 216 ? 2.077 32.948 56.319 1.00 4.76 ? 220 VAL X N 1 ATOM 1700 C CA . VAL A 1 216 ? 0.789 32.897 55.616 1.00 4.87 ? 220 VAL X CA 1 ATOM 1701 C C . VAL A 1 216 ? 0.647 34.132 54.721 1.00 4.65 ? 220 VAL X C 1 ATOM 1702 O O . VAL A 1 216 ? 0.381 35.240 55.196 1.00 4.92 ? 220 VAL X O 1 ATOM 1703 C CB . VAL A 1 216 ? -0.404 32.768 56.594 1.00 5.07 ? 220 VAL X CB 1 ATOM 1704 C CG1 . VAL A 1 216 ? -1.699 32.625 55.812 1.00 5.21 ? 220 VAL X CG1 1 ATOM 1705 C CG2 . VAL A 1 216 ? -0.208 31.570 57.506 1.00 6.47 ? 220 VAL X CG2 1 ATOM 1706 N N . VAL A 1 217 ? 0.890 33.928 53.435 1.00 3.57 ? 221 VAL X N 1 ATOM 1707 C CA . VAL A 1 217 ? 0.677 34.939 52.404 1.00 4.05 ? 221 VAL X CA 1 ATOM 1708 C C . VAL A 1 217 ? -0.771 34.839 51.939 1.00 4.06 ? 221 VAL X C 1 ATOM 1709 O O . VAL A 1 217 ? -1.274 33.753 51.629 1.00 4.93 ? 221 VAL X O 1 ATOM 1710 C CB . VAL A 1 217 ? 1.653 34.719 51.221 1.00 4.60 ? 221 VAL X CB 1 ATOM 1711 C CG1 . VAL A 1 217 ? 1.219 35.474 49.986 1.00 3.95 ? 221 VAL X CG1 1 ATOM 1712 C CG2 . VAL A 1 217 ? 3.046 35.152 51.623 1.00 4.45 ? 221 VAL X CG2 1 ATOM 1713 N N . ALA A 1 218 ? -1.445 35.987 51.955 1.00 4.20 ? 222 ALA X N 1 ATOM 1714 C CA . ALA A 1 218 ? -2.843 36.090 51.516 1.00 4.48 ? 222 ALA X CA 1 ATOM 1715 C C . ALA A 1 218 ? -2.968 36.106 50.005 1.00 4.27 ? 222 ALA X C 1 ATOM 1716 O O . ALA A 1 218 ? -2.731 37.131 49.356 1.00 4.86 ? 222 ALA X O 1 ATOM 1717 C CB . ALA A 1 218 ? -3.484 37.304 52.119 1.00 5.60 ? 222 ALA X CB 1 ATOM 1718 N N . GLY A 1 219 ? -3.338 34.962 49.443 1.00 4.10 ? 223 GLY X N 1 ATOM 1719 C CA . GLY A 1 219 ? -3.519 34.841 48.015 1.00 4.64 ? 223 GLY X CA 1 ATOM 1720 C C . GLY A 1 219 ? -4.822 35.425 47.535 1.00 4.39 ? 223 GLY X C 1 ATOM 1721 O O . GLY A 1 219 ? -5.872 35.236 48.171 1.00 5.16 ? 223 GLY X O 1 ATOM 1722 N N . GLN A 1 220 ? -4.742 36.096 46.395 1.00 4.51 ? 224 GLN X N 1 ATOM 1723 C CA . GLN A 1 220 ? -5.866 36.819 45.788 1.00 4.67 ? 224 GLN X CA 1 ATOM 1724 C C . GLN A 1 220 ? -5.932 36.619 44.284 1.00 4.84 ? 224 GLN X C 1 ATOM 1725 O O . GLN A 1 220 ? -4.913 36.663 43.585 1.00 5.01 ? 224 GLN X O 1 ATOM 1726 C CB . GLN A 1 220 ? -5.709 38.318 46.053 1.00 5.61 ? 224 GLN X CB 1 ATOM 1727 C CG . GLN A 1 220 ? -5.881 38.701 47.514 1.00 5.70 ? 224 GLN X CG 1 ATOM 1728 C CD . GLN A 1 220 ? -7.333 38.674 47.921 1.00 4.52 ? 224 GLN X CD 1 ATOM 1729 O OE1 . GLN A 1 220 ? -8.053 39.650 47.714 1.00 7.58 ? 224 GLN X OE1 1 ATOM 1730 N NE2 . GLN A 1 220 ? -7.776 37.558 48.487 1.00 6.17 ? 224 GLN X NE2 1 ATOM 1731 N N . LEU A 1 221 ? -7.141 36.412 43.781 1.00 4.74 ? 225 LEU X N 1 ATOM 1732 C CA . LEU A 1 221 ? -7.371 36.556 42.353 1.00 4.87 ? 225 LEU X CA 1 ATOM 1733 C C . LEU A 1 221 ? -7.208 38.030 41.966 1.00 4.04 ? 225 LEU X C 1 ATOM 1734 O O . LEU A 1 221 ? -7.683 38.921 42.670 1.00 4.50 ? 225 LEU X O 1 ATOM 1735 C CB . LEU A 1 221 ? -8.776 36.071 41.972 1.00 4.65 ? 225 LEU X CB 1 ATOM 1736 C CG . LEU A 1 221 ? -9.061 34.578 42.130 1.00 5.39 ? 225 LEU X CG 1 ATOM 1737 C CD1 . LEU A 1 221 ? -10.513 34.297 41.775 1.00 6.76 ? 225 LEU X CD1 1 ATOM 1738 C CD2 . LEU A 1 221 ? -8.141 33.728 41.268 1.00 7.30 ? 225 LEU X CD2 1 ATOM 1739 N N . THR A 1 222 ? -6.540 38.285 40.851 1.00 5.16 ? 226 THR X N 1 ATOM 1740 C CA . THR A 1 222 ? -6.356 39.656 40.383 1.00 5.80 ? 226 THR X CA 1 ATOM 1741 C C . THR A 1 222 ? -7.529 40.147 39.532 1.00 6.13 ? 226 THR X C 1 ATOM 1742 O O . THR A 1 222 ? -7.644 41.346 39.252 1.00 5.71 ? 226 THR X O 1 ATOM 1743 C CB . THR A 1 222 ? -5.065 39.812 39.581 1.00 5.68 ? 226 THR X CB 1 ATOM 1744 O OG1 . THR A 1 222 ? -5.124 38.957 38.436 1.00 6.11 ? 226 THR X OG1 1 ATOM 1745 C CG2 . THR A 1 222 ? -3.837 39.478 40.442 1.00 5.53 ? 226 THR X CG2 1 ATOM 1746 N N . THR A 1 223 ? -8.385 39.211 39.120 1.00 6.19 ? 227 THR X N 1 ATOM 1747 C CA . THR A 1 223 ? -9.582 39.527 38.323 1.00 7.42 ? 227 THR X CA 1 ATOM 1748 C C . THR A 1 223 ? -10.726 38.663 38.836 1.00 7.90 ? 227 THR X C 1 ATOM 1749 O O . THR A 1 223 ? -10.481 37.665 39.506 1.00 7.78 ? 227 THR X O 1 ATOM 1750 C CB . THR A 1 223 ? -9.422 39.168 36.826 1.00 7.57 ? 227 THR X CB 1 ATOM 1751 O OG1 . THR A 1 223 ? -9.472 37.744 36.680 1.00 8.36 ? 227 THR X OG1 1 ATOM 1752 C CG2 . THR A 1 223 ? -8.126 39.704 36.239 1.00 7.62 ? 227 THR X CG2 1 ATOM 1753 N N . PRO A 1 224 ? -11.986 39.028 38.494 1.00 8.85 ? 228 PRO X N 1 ATOM 1754 C CA . PRO A 1 224 ? -13.143 38.214 38.872 1.00 10.16 ? 228 PRO X CA 1 ATOM 1755 C C . PRO A 1 224 ? -13.415 37.050 37.900 1.00 11.66 ? 228 PRO X C 1 ATOM 1756 O O . PRO A 1 224 ? -14.526 36.486 37.890 1.00 11.63 ? 228 PRO X O 1 ATOM 1757 C CB . PRO A 1 224 ? -14.302 39.229 38.894 1.00 9.91 ? 228 PRO X CB 1 ATOM 1758 C CG . PRO A 1 224 ? -13.808 40.456 38.255 1.00 10.98 ? 228 PRO X CG 1 ATOM 1759 C CD . PRO A 1 224 ? -12.390 40.271 37.812 1.00 9.44 ? 228 PRO X CD 1 ATOM 1760 N N . GLU A 1 225 ? -12.417 36.687 37.090 1.00 12.92 ? 229 GLU X N 1 ATOM 1761 C CA . GLU A 1 225 ? -12.493 35.486 36.246 1.00 14.30 ? 229 GLU X CA 1 ATOM 1762 C C . GLU A 1 225 ? -12.224 34.250 37.094 1.00 14.09 ? 229 GLU X C 1 ATOM 1763 O O . GLU A 1 225 ? -11.180 33.573 36.978 1.00 15.44 ? 229 GLU X O 1 ATOM 1764 C CB . GLU A 1 225 ? -11.513 35.563 35.081 1.00 14.30 ? 229 GLU X CB 1 ATOM 1765 C CG . GLU A 1 225 ? -11.806 36.668 34.083 1.00 16.74 ? 229 GLU X CG 1 ATOM 1766 C CD . GLU A 1 225 ? -11.078 36.463 32.771 1.00 19.91 ? 229 GLU X CD 1 ATOM 1767 O OE1 . GLU A 1 225 ? -10.199 35.575 32.702 1.00 21.79 ? 229 GLU X OE1 1 ATOM 1768 O OE2 . GLU A 1 225 ? -11.388 37.183 31.801 1.00 21.76 ? 229 GLU X OE2 1 ATOM 1769 N N . GLY A 1 226 ? -13.192 33.955 37.944 1.00 14.34 ? 230 GLY X N 1 ATOM 1770 C CA . GLY A 1 226 ? -13.083 32.893 38.902 1.00 13.73 ? 230 GLY X CA 1 ATOM 1771 C C . GLY A 1 226 ? -14.076 33.139 40.004 1.00 13.59 ? 230 GLY X C 1 ATOM 1772 O O . GLY A 1 226 ? -14.984 33.979 39.881 1.00 13.62 ? 230 GLY X O 1 ATOM 1773 N N . ALA A 1 227 ? -13.917 32.392 41.082 1.00 13.14 ? 231 ALA X N 1 ATOM 1774 C CA . ALA A 1 227 ? -14.775 32.527 42.232 1.00 12.48 ? 231 ALA X CA 1 ATOM 1775 C C . ALA A 1 227 ? -13.960 33.060 43.381 1.00 12.08 ? 231 ALA X C 1 ATOM 1776 O O . ALA A 1 227 ? -12.824 32.637 43.594 1.00 11.61 ? 231 ALA X O 1 ATOM 1777 C CB . ALA A 1 227 ? -15.376 31.192 42.595 1.00 12.60 ? 231 ALA X CB 1 ATOM 1778 N N . GLY A 1 228 ? -14.548 33.988 44.119 1.00 11.55 ? 232 GLY X N 1 ATOM 1779 C CA . GLY A 1 228 ? -13.928 34.521 45.303 1.00 10.67 ? 232 GLY X CA 1 ATOM 1780 C C . GLY A 1 228 ? -13.081 35.778 45.135 1.00 10.23 ? 232 GLY X C 1 ATOM 1781 O O . GLY A 1 228 ? -12.373 36.148 46.060 1.00 11.20 ? 232 GLY X O 1 ATOM 1782 N N . TRP A 1 229 ? -13.148 36.449 43.980 1.00 9.77 ? 233 TRP X N 1 ATOM 1783 C CA . TRP A 1 229 ? -12.510 37.768 43.849 1.00 8.81 ? 233 TRP X CA 1 ATOM 1784 C C . TRP A 1 229 ? -13.169 38.783 44.771 1.00 8.91 ? 233 TRP X C 1 ATOM 1785 O O . TRP A 1 229 ? -14.391 38.785 44.929 1.00 8.69 ? 233 TRP X O 1 ATOM 1786 C CB . TRP A 1 229 ? -12.546 38.256 42.399 1.00 8.21 ? 233 TRP X CB 1 ATOM 1787 C CG . TRP A 1 229 ? -12.027 39.660 42.179 1.00 7.60 ? 233 TRP X CG 1 ATOM 1788 C CD1 . TRP A 1 229 ? -10.750 40.026 41.841 1.00 7.16 ? 233 TRP X CD1 1 ATOM 1789 C CD2 . TRP A 1 229 ? -12.776 40.882 42.272 1.00 6.96 ? 233 TRP X CD2 1 ATOM 1790 N NE1 . TRP A 1 229 ? -10.660 41.385 41.715 1.00 7.38 ? 233 TRP X NE1 1 ATOM 1791 C CE2 . TRP A 1 229 ? -11.888 41.942 41.963 1.00 6.32 ? 233 TRP X CE2 1 ATOM 1792 C CE3 . TRP A 1 229 ? -14.118 41.182 42.563 1.00 7.66 ? 233 TRP X CE3 1 ATOM 1793 C CZ2 . TRP A 1 229 ? -12.289 43.279 41.966 1.00 8.22 ? 233 TRP X CZ2 1 ATOM 1794 C CZ3 . TRP A 1 229 ? -14.515 42.520 42.561 1.00 8.18 ? 233 TRP X CZ3 1 ATOM 1795 C CH2 . TRP A 1 229 ? -13.605 43.545 42.254 1.00 7.96 ? 233 TRP X CH2 1 ATOM 1796 N N . ILE A 1 230 ? -12.357 39.650 45.374 1.00 7.79 ? 234 ILE X N 1 ATOM 1797 C CA . ILE A 1 230 ? -12.871 40.792 46.136 1.00 8.74 ? 234 ILE X CA 1 ATOM 1798 C C . ILE A 1 230 ? -12.135 42.063 45.723 1.00 9.32 ? 234 ILE X C 1 ATOM 1799 O O . ILE A 1 230 ? -10.974 41.998 45.300 1.00 8.71 ? 234 ILE X O 1 ATOM 1800 C CB . ILE A 1 230 ? -12.757 40.566 47.673 1.00 8.35 ? 234 ILE X CB 1 ATOM 1801 C CG1 . ILE A 1 230 ? -11.285 40.526 48.126 1.00 8.11 ? 234 ILE X CG1 1 ATOM 1802 C CG2 . ILE A 1 230 ? -13.513 39.291 48.087 1.00 9.64 ? 234 ILE X CG2 1 ATOM 1803 C CD1 . ILE A 1 230 ? -11.093 40.471 49.627 1.00 7.93 ? 234 ILE X CD1 1 ATOM 1804 N N . PRO A 1 231 ? -12.792 43.228 45.856 1.00 10.03 ? 235 PRO X N 1 ATOM 1805 C CA . PRO A 1 231 ? -12.132 44.492 45.566 1.00 10.11 ? 235 PRO X CA 1 ATOM 1806 C C . PRO A 1 231 ? -10.904 44.690 46.450 1.00 9.61 ? 235 PRO X C 1 ATOM 1807 O O . PRO A 1 231 ? -10.891 44.251 47.602 1.00 8.73 ? 235 PRO X O 1 ATOM 1808 C CB . PRO A 1 231 ? -13.203 45.543 45.912 1.00 10.38 ? 235 PRO X CB 1 ATOM 1809 C CG . PRO A 1 231 ? -14.482 44.826 45.957 1.00 12.14 ? 235 PRO X CG 1 ATOM 1810 C CD . PRO A 1 231 ? -14.190 43.414 46.291 1.00 10.30 ? 235 PRO X CD 1 ATOM 1811 N N . THR A 1 232 ? -9.892 45.370 45.924 1.00 9.39 ? 236 THR X N 1 ATOM 1812 C CA . THR A 1 232 ? -8.697 45.690 46.706 1.00 9.72 ? 236 THR X CA 1 ATOM 1813 C C . THR A 1 232 ? -9.004 46.519 47.955 1.00 9.74 ? 236 THR X C 1 ATOM 1814 O O . THR A 1 232 ? -8.297 46.401 48.962 1.00 9.13 ? 236 THR X O 1 ATOM 1815 C CB . THR A 1 232 ? -7.575 46.348 45.857 1.00 9.57 ? 236 THR X CB 1 ATOM 1816 O OG1 . THR A 1 232 ? -8.092 47.494 45.170 1.00 11.59 ? 236 THR X OG1 1 ATOM 1817 C CG2 . THR A 1 232 ? -7.016 45.342 44.847 1.00 9.96 ? 236 THR X CG2 1 ATOM 1818 N N . SER A 1 233 ? -10.055 47.339 47.897 1.00 10.14 ? 237 SER X N 1 ATOM 1819 C CA . SER A 1 233 ? -10.490 48.100 49.065 1.00 10.61 ? 237 SER X CA 1 ATOM 1820 C C . SER A 1 233 ? -10.904 47.170 50.213 1.00 9.64 ? 237 SER X C 1 ATOM 1821 O O . SER A 1 233 ? -10.659 47.476 51.380 1.00 9.65 ? 237 SER X O 1 ATOM 1822 C CB . SER A 1 233 ? -11.641 49.041 48.699 1.00 11.06 ? 237 SER X CB 1 ATOM 1823 O OG . SER A 1 233 ? -12.762 48.302 48.252 1.00 13.39 ? 237 SER X OG 1 ATOM 1824 N N . SER A 1 234 ? -11.542 46.046 49.878 1.00 9.52 ? 238 SER X N 1 ATOM 1825 C CA A SER A 1 234 ? -11.944 45.043 50.864 0.50 9.33 ? 238 SER X CA 1 ATOM 1826 C CA B SER A 1 234 ? -11.935 45.074 50.889 0.50 9.31 ? 238 SER X CA 1 ATOM 1827 C C . SER A 1 234 ? -10.707 44.362 51.440 1.00 9.16 ? 238 SER X C 1 ATOM 1828 O O . SER A 1 234 ? -10.590 44.176 52.650 1.00 9.04 ? 238 SER X O 1 ATOM 1829 C CB A SER A 1 234 ? -12.871 44.011 50.214 0.50 9.32 ? 238 SER X CB 1 ATOM 1830 C CB B SER A 1 234 ? -12.945 44.078 50.326 0.50 9.26 ? 238 SER X CB 1 ATOM 1831 O OG A SER A 1 234 ? -13.259 42.992 51.120 0.50 9.69 ? 238 SER X OG 1 ATOM 1832 O OG B SER A 1 234 ? -14.177 44.723 50.045 0.50 9.68 ? 238 SER X OG 1 ATOM 1833 N N . LEU A 1 235 ? -9.793 43.983 50.547 1.00 8.70 ? 239 LEU X N 1 ATOM 1834 C CA . LEU A 1 235 ? -8.509 43.407 50.933 1.00 7.74 ? 239 LEU X CA 1 ATOM 1835 C C . LEU A 1 235 ? -7.793 44.338 51.913 1.00 7.67 ? 239 LEU X C 1 ATOM 1836 O O . LEU A 1 235 ? -7.295 43.891 52.953 1.00 7.10 ? 239 LEU X O 1 ATOM 1837 C CB . LEU A 1 235 ? -7.649 43.139 49.689 1.00 7.67 ? 239 LEU X CB 1 ATOM 1838 C CG . LEU A 1 235 ? -6.237 42.609 49.956 1.00 7.58 ? 239 LEU X CG 1 ATOM 1839 C CD1 . LEU A 1 235 ? -6.290 41.216 50.568 1.00 8.70 ? 239 LEU X CD1 1 ATOM 1840 C CD2 . LEU A 1 235 ? -5.406 42.609 48.680 1.00 8.30 ? 239 LEU X CD2 1 ATOM 1841 N N . ASN A 1 236 ? -7.762 45.630 51.582 1.00 7.13 ? 240 ASN X N 1 ATOM 1842 C CA . ASN A 1 236 ? -7.098 46.613 52.419 1.00 7.88 ? 240 ASN X CA 1 ATOM 1843 C C . ASN A 1 236 ? -7.681 46.665 53.834 1.00 7.57 ? 240 ASN X C 1 ATOM 1844 O O . ASN A 1 236 ? -6.941 46.641 54.820 1.00 6.96 ? 240 ASN X O 1 ATOM 1845 C CB . ASN A 1 236 ? -7.158 47.994 51.775 1.00 7.40 ? 240 ASN X CB 1 ATOM 1846 C CG . ASN A 1 236 ? -6.529 49.046 52.641 1.00 8.83 ? 240 ASN X CG 1 ATOM 1847 O OD1 . ASN A 1 236 ? -5.350 48.954 52.988 1.00 8.83 ? 240 ASN X OD1 1 ATOM 1848 N ND2 . ASN A 1 236 ? -7.326 50.057 53.016 1.00 10.29 ? 240 ASN X ND2 1 ATOM 1849 N N . ASN A 1 237 ? -9.008 46.717 53.932 1.00 7.71 ? 241 ASN X N 1 ATOM 1850 C CA . ASN A 1 237 ? -9.659 46.802 55.229 1.00 8.55 ? 241 ASN X CA 1 ATOM 1851 C C . ASN A 1 237 ? -9.258 45.619 56.119 1.00 8.24 ? 241 ASN X C 1 ATOM 1852 O O . ASN A 1 237 ? -8.938 45.769 57.289 1.00 8.54 ? 241 ASN X O 1 ATOM 1853 C CB . ASN A 1 237 ? -11.177 46.902 55.018 1.00 9.60 ? 241 ASN X CB 1 ATOM 1854 C CG . ASN A 1 237 ? -11.930 47.158 56.302 1.00 11.34 ? 241 ASN X CG 1 ATOM 1855 O OD1 . ASN A 1 237 ? -12.313 46.221 57.008 1.00 15.36 ? 241 ASN X OD1 1 ATOM 1856 N ND2 . ASN A 1 237 ? -12.164 48.431 56.606 1.00 14.17 ? 241 ASN X ND2 1 ATOM 1857 N N . THR A 1 238 ? -9.254 44.433 55.528 1.00 7.75 ? 242 THR X N 1 ATOM 1858 C CA . THR A 1 238 ? -8.870 43.238 56.254 1.00 7.18 ? 242 THR X CA 1 ATOM 1859 C C . THR A 1 238 ? -7.397 43.254 56.659 1.00 7.06 ? 242 THR X C 1 ATOM 1860 O O . THR A 1 238 ? -7.066 42.916 57.790 1.00 6.74 ? 242 THR X O 1 ATOM 1861 C CB . THR A 1 238 ? -9.178 41.984 55.419 1.00 7.49 ? 242 THR X CB 1 ATOM 1862 O OG1 . THR A 1 238 ? -10.596 41.925 55.205 1.00 7.56 ? 242 THR X OG1 1 ATOM 1863 C CG2 . THR A 1 238 ? -8.741 40.715 56.126 1.00 6.83 ? 242 THR X CG2 1 ATOM 1864 N N . ILE A 1 239 ? -6.513 43.650 55.746 1.00 7.00 ? 243 ILE X N 1 ATOM 1865 C CA . ILE A 1 239 ? -5.082 43.670 56.065 1.00 6.72 ? 243 ILE X CA 1 ATOM 1866 C C . ILE A 1 239 ? -4.756 44.674 57.181 1.00 7.46 ? 243 ILE X C 1 ATOM 1867 O O . ILE A 1 239 ? -3.956 44.365 58.065 1.00 7.42 ? 243 ILE X O 1 ATOM 1868 C CB . ILE A 1 239 ? -4.234 43.874 54.801 1.00 7.43 ? 243 ILE X CB 1 ATOM 1869 C CG1 . ILE A 1 239 ? -4.250 42.577 53.980 1.00 7.91 ? 243 ILE X CG1 1 ATOM 1870 C CG2 . ILE A 1 239 ? -2.800 44.292 55.160 1.00 7.26 ? 243 ILE X CG2 1 ATOM 1871 C CD1 . ILE A 1 239 ? -3.562 42.682 52.617 1.00 9.22 ? 243 ILE X CD1 1 ATOM 1872 N N . VAL A 1 240 ? -5.392 45.849 57.154 1.00 7.27 ? 244 VAL X N 1 ATOM 1873 C CA . VAL A 1 240 ? -5.254 46.823 58.257 1.00 7.54 ? 244 VAL X CA 1 ATOM 1874 C C . VAL A 1 240 ? -5.543 46.140 59.606 1.00 7.60 ? 244 VAL X C 1 ATOM 1875 O O . VAL A 1 240 ? -4.779 46.282 60.566 1.00 8.33 ? 244 VAL X O 1 ATOM 1876 C CB . VAL A 1 240 ? -6.129 48.096 58.054 1.00 7.87 ? 244 VAL X CB 1 ATOM 1877 C CG1 . VAL A 1 240 ? -6.123 48.971 59.316 1.00 8.53 ? 244 VAL X CG1 1 ATOM 1878 C CG2 . VAL A 1 240 ? -5.622 48.894 56.877 1.00 8.01 ? 244 VAL X CG2 1 ATOM 1879 N N . SER A 1 241 ? -6.640 45.391 59.662 1.00 7.18 ? 245 SER X N 1 ATOM 1880 C CA A SER A 1 241 ? -7.023 44.670 60.878 0.50 7.46 ? 245 SER X CA 1 ATOM 1881 C CA B SER A 1 241 ? -7.010 44.688 60.885 0.50 7.32 ? 245 SER X CA 1 ATOM 1882 C C . SER A 1 241 ? -5.995 43.605 61.262 1.00 7.31 ? 245 SER X C 1 ATOM 1883 O O . SER A 1 241 ? -5.599 43.496 62.417 1.00 7.48 ? 245 SER X O 1 ATOM 1884 C CB A SER A 1 241 ? -8.397 44.043 60.758 0.0000 5.62 ? 245 SER X CB 1 ATOM 1885 C CB B SER A 1 241 ? -8.408 44.096 60.751 0.50 6.42 ? 245 SER X CB 1 ATOM 1886 O OG A SER A 1 241 ? -9.273 44.902 60.619 0.50 9.42 ? 245 SER X OG 1 ATOM 1887 O OG B SER A 1 241 ? -8.782 43.418 61.932 0.50 8.07 ? 245 SER X OG 1 ATOM 1888 N N . LEU A 1 242 ? -5.571 42.797 60.286 1.00 7.01 ? 246 LEU X N 1 ATOM 1889 C CA . LEU A 1 242 ? -4.579 41.754 60.550 1.00 6.88 ? 246 LEU X CA 1 ATOM 1890 C C . LEU A 1 242 ? -3.271 42.313 61.094 1.00 6.90 ? 246 LEU X C 1 ATOM 1891 O O . LEU A 1 242 ? -2.730 41.773 62.056 1.00 7.61 ? 246 LEU X O 1 ATOM 1892 C CB . LEU A 1 242 ? -4.300 40.927 59.288 1.00 6.77 ? 246 LEU X CB 1 ATOM 1893 C CG . LEU A 1 242 ? -5.480 40.100 58.768 1.00 6.69 ? 246 LEU X CG 1 ATOM 1894 C CD1 . LEU A 1 242 ? -5.131 39.479 57.433 1.00 6.94 ? 246 LEU X CD1 1 ATOM 1895 C CD2 . LEU A 1 242 ? -5.888 39.040 59.770 1.00 6.91 ? 246 LEU X CD2 1 ATOM 1896 N N . VAL A 1 243 ? -2.772 43.387 60.479 1.00 7.32 ? 247 VAL X N 1 ATOM 1897 C CA A VAL A 1 243 ? -1.534 44.036 60.906 0.50 7.02 ? 247 VAL X CA 1 ATOM 1898 C CA B VAL A 1 243 ? -1.517 43.984 60.932 0.50 7.93 ? 247 VAL X CA 1 ATOM 1899 C C . VAL A 1 243 ? -1.656 44.558 62.351 1.00 7.77 ? 247 VAL X C 1 ATOM 1900 O O . VAL A 1 243 ? -0.709 44.485 63.132 1.00 7.45 ? 247 VAL X O 1 ATOM 1901 C CB A VAL A 1 243 ? -1.116 45.130 59.881 0.50 6.79 ? 247 VAL X CB 1 ATOM 1902 C CB B VAL A 1 243 ? -0.899 44.986 59.900 0.50 7.94 ? 247 VAL X CB 1 ATOM 1903 C CG1 A VAL A 1 243 ? -0.060 46.089 60.447 0.50 5.54 ? 247 VAL X CG1 1 ATOM 1904 C CG1 B VAL A 1 243 ? -1.875 46.035 59.497 0.50 9.37 ? 247 VAL X CG1 1 ATOM 1905 C CG2 A VAL A 1 243 ? -0.612 44.465 58.598 0.50 4.84 ? 247 VAL X CG2 1 ATOM 1906 C CG2 B VAL A 1 243 ? 0.351 45.649 60.450 0.50 8.41 ? 247 VAL X CG2 1 ATOM 1907 N N . SER A 1 244 ? -2.845 45.058 62.706 1.00 8.15 ? 248 SER X N 1 ATOM 1908 C CA . SER A 1 244 ? -3.081 45.518 64.088 1.00 9.86 ? 248 SER X CA 1 ATOM 1909 C C . SER A 1 244 ? -2.972 44.368 65.104 1.00 9.90 ? 248 SER X C 1 ATOM 1910 O O . SER A 1 244 ? -2.593 44.585 66.266 1.00 10.54 ? 248 SER X O 1 ATOM 1911 C CB . SER A 1 244 ? -4.419 46.251 64.207 1.00 10.03 ? 248 SER X CB 1 ATOM 1912 O OG . SER A 1 244 ? -5.503 45.356 64.344 1.00 12.96 ? 248 SER X OG 1 ATOM 1913 N N . GLU A 1 245 ? -3.288 43.153 64.653 1.00 9.34 ? 249 GLU X N 1 ATOM 1914 C CA . GLU A 1 245 ? -3.196 41.947 65.477 1.00 9.88 ? 249 GLU X CA 1 ATOM 1915 C C . GLU A 1 245 ? -1.778 41.396 65.541 1.00 9.83 ? 249 GLU X C 1 ATOM 1916 O O . GLU A 1 245 ? -1.300 41.035 66.620 1.00 10.48 ? 249 GLU X O 1 ATOM 1917 C CB . GLU A 1 245 ? -4.081 40.833 64.909 1.00 9.85 ? 249 GLU X CB 1 ATOM 1918 C CG . GLU A 1 245 ? -5.567 41.094 64.860 1.00 11.00 ? 249 GLU X CG 1 ATOM 1919 C CD . GLU A 1 245 ? -6.317 39.841 64.447 1.00 13.00 ? 249 GLU X CD 1 ATOM 1920 O OE1 . GLU A 1 245 ? -6.435 39.602 63.234 1.00 11.92 ? 249 GLU X OE1 1 ATOM 1921 O OE2 . GLU A 1 245 ? -6.730 39.069 65.336 1.00 14.29 ? 249 GLU X OE2 1 ATOM 1922 N N . TYR A 1 246 ? -1.125 41.303 64.381 1.00 9.14 ? 250 TYR X N 1 ATOM 1923 C CA . TYR A 1 246 ? 0.100 40.512 64.241 1.00 9.03 ? 250 TYR X CA 1 ATOM 1924 C C . TYR A 1 246 ? 1.365 41.324 64.004 1.00 8.81 ? 250 TYR X C 1 ATOM 1925 O O . TYR A 1 246 ? 2.461 40.770 64.099 1.00 9.84 ? 250 TYR X O 1 ATOM 1926 C CB . TYR A 1 246 ? -0.063 39.454 63.133 1.00 8.76 ? 250 TYR X CB 1 ATOM 1927 C CG . TYR A 1 246 ? -1.277 38.563 63.331 1.00 8.48 ? 250 TYR X CG 1 ATOM 1928 C CD1 . TYR A 1 246 ? -1.404 37.784 64.476 1.00 9.66 ? 250 TYR X CD1 1 ATOM 1929 C CD2 . TYR A 1 246 ? -2.309 38.522 62.386 1.00 8.91 ? 250 TYR X CD2 1 ATOM 1930 C CE1 . TYR A 1 246 ? -2.516 36.973 64.681 1.00 9.69 ? 250 TYR X CE1 1 ATOM 1931 C CE2 . TYR A 1 246 ? -3.439 37.699 62.580 1.00 7.46 ? 250 TYR X CE2 1 ATOM 1932 C CZ . TYR A 1 246 ? -3.531 36.941 63.744 1.00 7.75 ? 250 TYR X CZ 1 ATOM 1933 O OH . TYR A 1 246 ? -4.636 36.134 63.961 1.00 9.30 ? 250 TYR X OH 1 ATOM 1934 N N . GLY A 1 247 ? 1.218 42.607 63.676 1.00 8.94 ? 251 GLY X N 1 ATOM 1935 C CA . GLY A 1 247 ? 2.365 43.458 63.354 1.00 9.30 ? 251 GLY X CA 1 ATOM 1936 C C . GLY A 1 247 ? 2.857 43.298 61.929 1.00 9.35 ? 251 GLY X C 1 ATOM 1937 O O . GLY A 1 247 ? 2.974 44.275 61.188 1.00 10.17 ? 251 GLY X O 1 ATOM 1938 N N . GLN A 1 248 ? 3.148 42.057 61.553 1.00 9.89 ? 252 GLN X N 1 ATOM 1939 C CA . GLN A 1 248 ? 3.565 41.733 60.189 1.00 10.09 ? 252 GLN X CA 1 ATOM 1940 C C . GLN A 1 248 ? 2.780 40.517 59.715 1.00 9.15 ? 252 GLN X C 1 ATOM 1941 O O . GLN A 1 248 ? 2.642 39.547 60.462 1.00 9.73 ? 252 GLN X O 1 ATOM 1942 C CB . GLN A 1 248 ? 5.059 41.399 60.130 1.00 10.48 ? 252 GLN X CB 1 ATOM 1943 C CG . GLN A 1 248 ? 6.004 42.492 60.637 1.00 12.05 ? 252 GLN X CG 1 ATOM 1944 C CD . GLN A 1 248 ? 7.469 42.140 60.439 1.00 13.76 ? 252 GLN X CD 1 ATOM 1945 O OE1 . GLN A 1 248 ? 7.996 41.235 61.089 1.00 16.91 ? 252 GLN X OE1 1 ATOM 1946 N NE2 . GLN A 1 248 ? 8.129 42.836 59.524 1.00 13.58 ? 252 GLN X NE2 1 ATOM 1947 N N . ILE A 1 249 ? 2.251 40.582 58.493 1.00 7.86 ? 253 ILE X N 1 ATOM 1948 C CA . ILE A 1 249 ? 1.696 39.400 57.826 1.00 7.17 ? 253 ILE X CA 1 ATOM 1949 C C . ILE A 1 249 ? 2.676 38.893 56.760 1.00 5.81 ? 253 ILE X C 1 ATOM 1950 O O . ILE A 1 249 ? 3.607 39.599 56.356 1.00 6.24 ? 253 ILE X O 1 ATOM 1951 C CB . ILE A 1 249 ? 0.296 39.665 57.194 1.00 7.52 ? 253 ILE X CB 1 ATOM 1952 C CG1 . ILE A 1 249 ? 0.355 40.784 56.135 1.00 8.11 ? 253 ILE X CG1 1 ATOM 1953 C CG2 . ILE A 1 249 ? -0.744 39.923 58.285 1.00 8.46 ? 253 ILE X CG2 1 ATOM 1954 C CD1 . ILE A 1 249 ? -0.767 40.736 55.080 1.00 10.63 ? 253 ILE X CD1 1 ATOM 1955 N N . GLY A 1 250 ? 2.449 37.681 56.267 1.00 4.86 ? 254 GLY X N 1 ATOM 1956 C CA . GLY A 1 250 ? 3.349 37.121 55.263 1.00 5.14 ? 254 GLY X CA 1 ATOM 1957 C C . GLY A 1 250 ? 3.376 37.959 53.997 1.00 5.18 ? 254 GLY X C 1 ATOM 1958 O O . GLY A 1 250 ? 4.405 38.072 53.355 1.00 5.00 ? 254 GLY X O 1 ATOM 1959 N N . GLY A 1 251 ? 2.231 38.538 53.657 1.00 5.00 ? 255 GLY X N 1 ATOM 1960 C CA . GLY A 1 251 ? 2.110 39.413 52.502 1.00 5.26 ? 255 GLY X CA 1 ATOM 1961 C C . GLY A 1 251 ? 0.921 39.013 51.661 1.00 4.85 ? 255 GLY X C 1 ATOM 1962 O O . GLY A 1 251 ? -0.045 38.444 52.175 1.00 4.87 ? 255 GLY X O 1 ATOM 1963 N N . VAL A 1 252 ? 0.991 39.340 50.372 1.00 4.76 ? 256 VAL X N 1 ATOM 1964 C CA . VAL A 1 252 ? -0.076 39.068 49.411 1.00 3.69 ? 256 VAL X CA 1 ATOM 1965 C C . VAL A 1 252 ? 0.517 38.475 48.138 1.00 3.65 ? 256 VAL X C 1 ATOM 1966 O O . VAL A 1 252 ? 1.594 38.886 47.714 1.00 3.97 ? 256 VAL X O 1 ATOM 1967 C CB . VAL A 1 252 ? -0.860 40.384 49.055 1.00 4.14 ? 256 VAL X CB 1 ATOM 1968 C CG1 . VAL A 1 252 ? -1.834 40.160 47.886 1.00 4.66 ? 256 VAL X CG1 1 ATOM 1969 C CG2 . VAL A 1 252 ? -1.596 40.890 50.265 1.00 5.07 ? 256 VAL X CG2 1 ATOM 1970 N N . MET A 1 253 ? -0.176 37.497 47.562 1.00 4.38 ? 257 MET X N 1 ATOM 1971 C CA . MET A 1 253 ? 0.150 37.027 46.226 1.00 4.16 ? 257 MET X CA 1 ATOM 1972 C C . MET A 1 253 ? -1.042 37.229 45.312 1.00 4.00 ? 257 MET X C 1 ATOM 1973 O O . MET A 1 253 ? -2.189 37.257 45.762 1.00 4.51 ? 257 MET X O 1 ATOM 1974 C CB . MET A 1 253 ? 0.682 35.577 46.206 1.00 4.33 ? 257 MET X CB 1 ATOM 1975 C CG . MET A 1 253 ? -0.298 34.457 46.572 1.00 5.26 ? 257 MET X CG 1 ATOM 1976 S SD . MET A 1 253 ? -1.506 34.047 45.284 1.00 5.29 ? 257 MET X SD 1 ATOM 1977 C CE . MET A 1 253 ? -1.863 32.372 45.788 1.00 5.40 ? 257 MET X CE 1 ATOM 1978 N N . GLY A 1 254 ? -0.749 37.408 44.030 1.00 4.13 ? 258 GLY X N 1 ATOM 1979 C CA . GLY A 1 254 ? -1.783 37.607 43.022 1.00 4.58 ? 258 GLY X CA 1 ATOM 1980 C C . GLY A 1 254 ? -1.721 36.579 41.908 1.00 4.36 ? 258 GLY X C 1 ATOM 1981 O O . GLY A 1 254 ? -0.669 36.399 41.271 1.00 5.20 ? 258 GLY X O 1 ATOM 1982 N N . TRP A 1 255 ? -2.854 35.921 41.667 1.00 4.73 ? 259 TRP X N 1 ATOM 1983 C CA . TRP A 1 255 ? -3.053 35.042 40.506 1.00 4.93 ? 259 TRP X CA 1 ATOM 1984 C C . TRP A 1 255 ? -3.969 35.763 39.499 1.00 4.85 ? 259 TRP X C 1 ATOM 1985 O O . TRP A 1 255 ? -5.150 35.948 39.797 1.00 4.58 ? 259 TRP X O 1 ATOM 1986 C CB . TRP A 1 255 ? -3.692 33.699 40.915 1.00 5.33 ? 259 TRP X CB 1 ATOM 1987 C CG . TRP A 1 255 ? -3.785 32.829 39.720 1.00 5.97 ? 259 TRP X CG 1 ATOM 1988 C CD1 . TRP A 1 255 ? -4.785 32.809 38.790 1.00 6.63 ? 259 TRP X CD1 1 ATOM 1989 C CD2 . TRP A 1 255 ? -2.783 31.914 39.255 1.00 6.20 ? 259 TRP X CD2 1 ATOM 1990 N NE1 . TRP A 1 255 ? -4.483 31.921 37.789 1.00 8.07 ? 259 TRP X NE1 1 ATOM 1991 C CE2 . TRP A 1 255 ? -3.252 31.363 38.044 1.00 7.43 ? 259 TRP X CE2 1 ATOM 1992 C CE3 . TRP A 1 255 ? -1.531 31.508 39.746 1.00 6.89 ? 259 TRP X CE3 1 ATOM 1993 C CZ2 . TRP A 1 255 ? -2.521 30.409 37.319 1.00 8.77 ? 259 TRP X CZ2 1 ATOM 1994 C CZ3 . TRP A 1 255 ? -0.797 30.565 39.026 1.00 7.81 ? 259 TRP X CZ3 1 ATOM 1995 C CH2 . TRP A 1 255 ? -1.302 30.020 37.828 1.00 8.40 ? 259 TRP X CH2 1 ATOM 1996 N N . GLU A 1 256 ? -3.479 36.190 38.333 1.00 4.50 ? 260 GLU X N 1 ATOM 1997 C CA . GLU A 1 256 ? -2.067 36.192 37.925 1.00 4.68 ? 260 GLU X CA 1 ATOM 1998 C C . GLU A 1 256 ? -1.820 37.515 37.185 1.00 5.22 ? 260 GLU X C 1 ATOM 1999 O O . GLU A 1 256 ? -2.721 38.358 37.055 1.00 5.13 ? 260 GLU X O 1 ATOM 2000 C CB . GLU A 1 256 ? -1.751 34.995 37.017 1.00 5.62 ? 260 GLU X CB 1 ATOM 2001 C CG . GLU A 1 256 ? -2.670 34.911 35.803 1.00 6.27 ? 260 GLU X CG 1 ATOM 2002 C CD . GLU A 1 256 ? -1.983 34.404 34.542 1.00 7.92 ? 260 GLU X CD 1 ATOM 2003 O OE1 . GLU A 1 256 ? -0.744 34.556 34.394 1.00 6.61 ? 260 GLU X OE1 1 ATOM 2004 O OE2 . GLU A 1 256 ? -2.699 33.851 33.681 1.00 8.85 ? 260 GLU X OE2 1 ATOM 2005 N N . TYR A 1 257 ? -0.610 37.719 36.683 1.00 5.40 ? 261 TYR X N 1 ATOM 2006 C CA . TYR A 1 257 ? -0.204 39.063 36.281 1.00 5.60 ? 261 TYR X CA 1 ATOM 2007 C C . TYR A 1 257 ? -1.000 39.733 35.157 1.00 5.63 ? 261 TYR X C 1 ATOM 2008 O O . TYR A 1 257 ? -1.552 40.827 35.345 1.00 5.32 ? 261 TYR X O 1 ATOM 2009 C CB . TYR A 1 257 ? 1.278 39.093 35.909 1.00 5.72 ? 261 TYR X CB 1 ATOM 2010 C CG . TYR A 1 257 ? 1.765 40.429 35.378 1.00 6.01 ? 261 TYR X CG 1 ATOM 2011 C CD1 . TYR A 1 257 ? 1.716 41.587 36.166 1.00 5.55 ? 261 TYR X CD1 1 ATOM 2012 C CD2 . TYR A 1 257 ? 2.283 40.533 34.088 1.00 6.12 ? 261 TYR X CD2 1 ATOM 2013 C CE1 . TYR A 1 257 ? 2.186 42.806 35.679 1.00 5.65 ? 261 TYR X CE1 1 ATOM 2014 C CE2 . TYR A 1 257 ? 2.747 41.760 33.587 1.00 6.24 ? 261 TYR X CE2 1 ATOM 2015 C CZ . TYR A 1 257 ? 2.701 42.887 34.394 1.00 5.69 ? 261 TYR X CZ 1 ATOM 2016 O OH . TYR A 1 257 ? 3.163 44.106 33.938 1.00 6.72 ? 261 TYR X OH 1 ATOM 2017 N N . PHE A 1 258 ? -1.026 39.091 33.990 1.00 6.63 ? 262 PHE X N 1 ATOM 2018 C CA . PHE A 1 258 ? -1.190 39.803 32.707 1.00 7.05 ? 262 PHE X CA 1 ATOM 2019 C C . PHE A 1 258 ? -2.466 40.617 32.505 1.00 6.98 ? 262 PHE X C 1 ATOM 2020 O O . PHE A 1 258 ? -2.480 41.534 31.692 1.00 7.04 ? 262 PHE X O 1 ATOM 2021 C CB . PHE A 1 258 ? -1.021 38.848 31.517 1.00 7.38 ? 262 PHE X CB 1 ATOM 2022 C CG . PHE A 1 258 ? -2.283 38.140 31.133 1.00 8.27 ? 262 PHE X CG 1 ATOM 2023 C CD1 . PHE A 1 258 ? -2.834 37.168 31.967 1.00 7.89 ? 262 PHE X CD1 1 ATOM 2024 C CD2 . PHE A 1 258 ? -2.936 38.462 29.939 1.00 10.03 ? 262 PHE X CD2 1 ATOM 2025 C CE1 . PHE A 1 258 ? -3.999 36.519 31.616 1.00 9.85 ? 262 PHE X CE1 1 ATOM 2026 C CE2 . PHE A 1 258 ? -4.109 37.822 29.579 1.00 11.45 ? 262 PHE X CE2 1 ATOM 2027 C CZ . PHE A 1 258 ? -4.641 36.853 30.410 1.00 9.75 ? 262 PHE X CZ 1 ATOM 2028 N N . ASN A 1 259 ? -3.529 40.268 33.221 1.00 6.31 ? 263 ASN X N 1 ATOM 2029 C CA . ASN A 1 259 ? -4.834 40.905 33.026 1.00 7.28 ? 263 ASN X CA 1 ATOM 2030 C C . ASN A 1 259 ? -5.371 41.512 34.305 1.00 7.27 ? 263 ASN X C 1 ATOM 2031 O O . ASN A 1 259 ? -6.555 41.844 34.399 1.00 7.19 ? 263 ASN X O 1 ATOM 2032 C CB . ASN A 1 259 ? -5.848 39.893 32.455 1.00 7.44 ? 263 ASN X CB 1 ATOM 2033 C CG . ASN A 1 259 ? -6.088 38.702 33.386 1.00 8.93 ? 263 ASN X CG 1 ATOM 2034 O OD1 . ASN A 1 259 ? -5.415 38.546 34.398 1.00 7.80 ? 263 ASN X OD1 1 ATOM 2035 N ND2 . ASN A 1 259 ? -7.052 37.865 33.044 1.00 9.47 ? 263 ASN X ND2 1 ATOM 2036 N N . SER A 1 260 ? -4.495 41.683 35.290 1.00 6.37 ? 264 SER X N 1 ATOM 2037 C CA . SER A 1 260 ? -4.908 42.162 36.604 1.00 5.88 ? 264 SER X CA 1 ATOM 2038 C C . SER A 1 260 ? -5.745 43.426 36.559 1.00 6.12 ? 264 SER X C 1 ATOM 2039 O O . SER A 1 260 ? -5.371 44.398 35.913 1.00 5.97 ? 264 SER X O 1 ATOM 2040 C CB . SER A 1 260 ? -3.686 42.460 37.445 1.00 5.85 ? 264 SER X CB 1 ATOM 2041 O OG . SER A 1 260 ? -2.920 41.302 37.686 1.00 4.77 ? 264 SER X OG 1 ATOM 2042 N N . LEU A 1 261 ? -6.853 43.425 37.293 1.00 5.98 ? 265 LEU X N 1 ATOM 2043 C CA . LEU A 1 261 ? -7.572 44.672 37.576 1.00 7.41 ? 265 LEU X CA 1 ATOM 2044 C C . LEU A 1 261 ? -6.731 45.529 38.519 1.00 7.86 ? 265 LEU X C 1 ATOM 2045 O O . LEU A 1 261 ? -5.960 44.968 39.297 1.00 7.94 ? 265 LEU X O 1 ATOM 2046 C CB . LEU A 1 261 ? -8.945 44.384 38.191 1.00 7.47 ? 265 LEU X CB 1 ATOM 2047 C CG . LEU A 1 261 ? -9.955 43.750 37.238 1.00 8.11 ? 265 LEU X CG 1 ATOM 2048 C CD1 . LEU A 1 261 ? -11.290 43.531 37.949 1.00 8.80 ? 265 LEU X CD1 1 ATOM 2049 C CD2 . LEU A 1 261 ? -10.164 44.585 35.980 1.00 10.73 ? 265 LEU X CD2 1 ATOM 2050 N N . PRO A 1 262 ? -6.892 46.870 38.484 1.00 7.85 ? 266 PRO X N 1 ATOM 2051 C CA . PRO A 1 262 ? -7.867 47.648 37.706 1.00 8.56 ? 266 PRO X CA 1 ATOM 2052 C C . PRO A 1 262 ? -7.450 47.960 36.271 1.00 8.79 ? 266 PRO X C 1 ATOM 2053 O O . PRO A 1 262 ? -8.299 48.313 35.453 1.00 9.38 ? 266 PRO X O 1 ATOM 2054 C CB . PRO A 1 262 ? -7.954 48.956 38.498 1.00 9.34 ? 266 PRO X CB 1 ATOM 2055 C CG . PRO A 1 262 ? -6.587 49.129 39.062 1.00 8.82 ? 266 PRO X CG 1 ATOM 2056 C CD . PRO A 1 262 ? -6.176 47.728 39.452 1.00 8.03 ? 266 PRO X CD 1 ATOM 2057 N N . GLY A 1 263 ? -6.167 47.833 35.957 1.00 7.86 ? 267 GLY X N 1 ATOM 2058 C CA . GLY A 1 263 ? -5.660 48.281 34.664 1.00 7.99 ? 267 GLY X CA 1 ATOM 2059 C C . GLY A 1 263 ? -5.865 47.317 33.508 1.00 8.11 ? 267 GLY X C 1 ATOM 2060 O O . GLY A 1 263 ? -5.686 47.690 32.347 1.00 8.50 ? 267 GLY X O 1 ATOM 2061 N N . GLY A 1 264 ? -6.230 46.070 33.806 1.00 8.05 ? 268 GLY X N 1 ATOM 2062 C CA . GLY A 1 264 ? -6.435 45.075 32.760 1.00 8.39 ? 268 GLY X CA 1 ATOM 2063 C C . GLY A 1 264 ? -5.182 44.723 31.982 1.00 8.28 ? 268 GLY X C 1 ATOM 2064 O O . GLY A 1 264 ? -4.057 44.963 32.422 1.00 8.43 ? 268 GLY X O 1 ATOM 2065 N N . THR A 1 265 ? -5.378 44.156 30.799 1.00 8.58 ? 269 THR X N 1 ATOM 2066 C CA . THR A 1 265 ? -4.255 43.766 29.944 1.00 8.65 ? 269 THR X CA 1 ATOM 2067 C C . THR A 1 265 ? -3.444 44.970 29.445 1.00 8.88 ? 269 THR X C 1 ATOM 2068 O O . THR A 1 265 ? -2.265 44.841 29.148 1.00 9.45 ? 269 THR X O 1 ATOM 2069 C CB . THR A 1 265 ? -4.706 42.919 28.739 1.00 9.21 ? 269 THR X CB 1 ATOM 2070 O OG1 . THR A 1 265 ? -5.634 43.676 27.950 1.00 9.86 ? 269 THR X OG1 1 ATOM 2071 C CG2 . THR A 1 265 ? -5.379 41.635 29.189 1.00 9.98 ? 269 THR X CG2 1 ATOM 2072 N N . ALA A 1 266 ? -4.074 46.141 29.358 1.00 8.97 ? 270 ALA X N 1 ATOM 2073 C CA . ALA A 1 266 ? -3.357 47.356 28.961 1.00 9.18 ? 270 ALA X CA 1 ATOM 2074 C C . ALA A 1 266 ? -2.347 47.781 30.028 1.00 8.66 ? 270 ALA X C 1 ATOM 2075 O O . ALA A 1 266 ? -1.232 48.170 29.716 1.00 8.98 ? 270 ALA X O 1 ATOM 2076 C CB . ALA A 1 266 ? -4.341 48.492 28.672 1.00 9.32 ? 270 ALA X CB 1 ATOM 2077 N N . GLU A 1 267 ? -2.750 47.703 31.298 1.00 8.27 ? 271 GLU X N 1 ATOM 2078 C CA . GLU A 1 267 ? -1.923 48.210 32.396 1.00 8.47 ? 271 GLU X CA 1 ATOM 2079 C C . GLU A 1 267 ? -1.956 47.252 33.596 1.00 7.90 ? 271 GLU X C 1 ATOM 2080 O O . GLU A 1 267 ? -2.427 47.613 34.675 1.00 7.44 ? 271 GLU X O 1 ATOM 2081 C CB . GLU A 1 267 ? -2.393 49.603 32.808 1.00 8.34 ? 271 GLU X CB 1 ATOM 2082 C CG . GLU A 1 267 ? -2.331 50.641 31.689 1.00 10.16 ? 271 GLU X CG 1 ATOM 2083 C CD . GLU A 1 267 ? -2.757 52.003 32.172 1.00 13.40 ? 271 GLU X CD 1 ATOM 2084 O OE1 . GLU A 1 267 ? -3.928 52.128 32.597 1.00 14.11 ? 271 GLU X OE1 1 ATOM 2085 O OE2 . GLU A 1 267 ? -1.914 52.928 32.152 1.00 15.10 ? 271 GLU X OE2 1 ATOM 2086 N N . PRO A 1 268 ? -1.404 46.037 33.427 1.00 7.90 ? 272 PRO X N 1 ATOM 2087 C CA . PRO A 1 268 ? -1.580 45.014 34.466 1.00 7.64 ? 272 PRO X CA 1 ATOM 2088 C C . PRO A 1 268 ? -0.795 45.273 35.761 1.00 7.24 ? 272 PRO X C 1 ATOM 2089 O O . PRO A 1 268 ? -1.117 44.693 36.798 1.00 7.24 ? 272 PRO X O 1 ATOM 2090 C CB . PRO A 1 268 ? -1.092 43.737 33.772 1.00 7.89 ? 272 PRO X CB 1 ATOM 2091 C CG . PRO A 1 268 ? -0.158 44.210 32.703 1.00 8.55 ? 272 PRO X CG 1 ATOM 2092 C CD . PRO A 1 268 ? -0.756 45.489 32.219 1.00 8.36 ? 272 PRO X CD 1 ATOM 2093 N N . TRP A 1 269 ? 0.208 46.148 35.690 1.00 7.00 ? 273 TRP X N 1 ATOM 2094 C CA . TRP A 1 269 ? 1.047 46.529 36.838 1.00 6.88 ? 273 TRP X CA 1 ATOM 2095 C C . TRP A 1 269 ? 0.321 47.393 37.864 1.00 6.46 ? 273 TRP X C 1 ATOM 2096 O O . TRP A 1 269 ? 0.814 47.564 38.985 1.00 6.31 ? 273 TRP X O 1 ATOM 2097 C CB . TRP A 1 269 ? 2.289 47.286 36.362 1.00 7.02 ? 273 TRP X CB 1 ATOM 2098 C CG . TRP A 1 269 ? 1.925 48.466 35.525 1.00 7.16 ? 273 TRP X CG 1 ATOM 2099 C CD1 . TRP A 1 269 ? 1.556 49.696 35.975 1.00 7.31 ? 273 TRP X CD1 1 ATOM 2100 C CD2 . TRP A 1 269 ? 1.855 48.518 34.095 1.00 9.17 ? 273 TRP X CD2 1 ATOM 2101 N NE1 . TRP A 1 269 ? 1.273 50.523 34.908 1.00 8.46 ? 273 TRP X NE1 1 ATOM 2102 C CE2 . TRP A 1 269 ? 1.448 49.826 33.743 1.00 8.27 ? 273 TRP X CE2 1 ATOM 2103 C CE3 . TRP A 1 269 ? 2.089 47.587 33.077 1.00 8.54 ? 273 TRP X CE3 1 ATOM 2104 C CZ2 . TRP A 1 269 ? 1.288 50.234 32.410 1.00 10.00 ? 273 TRP X CZ2 1 ATOM 2105 C CZ3 . TRP A 1 269 ? 1.947 47.994 31.751 1.00 11.36 ? 273 TRP X CZ3 1 ATOM 2106 C CH2 . TRP A 1 269 ? 1.539 49.305 31.433 1.00 10.01 ? 273 TRP X CH2 1 ATOM 2107 N N . GLU A 1 270 ? -0.841 47.948 37.504 1.00 6.59 ? 274 GLU X N 1 ATOM 2108 C CA . GLU A 1 270 ? -1.550 48.805 38.443 1.00 6.98 ? 274 GLU X CA 1 ATOM 2109 C C . GLU A 1 270 ? -1.982 48.056 39.704 1.00 6.38 ? 274 GLU X C 1 ATOM 2110 O O . GLU A 1 270 ? -1.974 48.631 40.791 1.00 6.38 ? 274 GLU X O 1 ATOM 2111 C CB . GLU A 1 270 ? -2.724 49.520 37.787 1.00 7.72 ? 274 GLU X CB 1 ATOM 2112 C CG . GLU A 1 270 ? -2.272 50.588 36.808 1.00 8.79 ? 274 GLU X CG 1 ATOM 2113 C CD . GLU A 1 270 ? -3.413 51.307 36.131 1.00 10.95 ? 274 GLU X CD 1 ATOM 2114 O OE1 . GLU A 1 270 ? -4.564 50.856 36.262 1.00 12.27 ? 274 GLU X OE1 1 ATOM 2115 O OE2 . GLU A 1 270 ? -3.153 52.329 35.443 1.00 12.65 ? 274 GLU X OE2 1 ATOM 2116 N N . TRP A 1 271 ? -2.317 46.770 39.561 1.00 6.20 ? 275 TRP X N 1 ATOM 2117 C CA . TRP A 1 271 ? -2.621 45.928 40.708 1.00 5.45 ? 275 TRP X CA 1 ATOM 2118 C C . TRP A 1 271 ? -1.482 45.973 41.734 1.00 5.40 ? 275 TRP X C 1 ATOM 2119 O O . TRP A 1 271 ? -1.709 46.229 42.906 1.00 4.73 ? 275 TRP X O 1 ATOM 2120 C CB . TRP A 1 271 ? -2.860 44.483 40.252 1.00 5.96 ? 275 TRP X CB 1 ATOM 2121 C CG . TRP A 1 271 ? -3.273 43.546 41.356 1.00 5.38 ? 275 TRP X CG 1 ATOM 2122 C CD1 . TRP A 1 271 ? -4.548 43.295 41.773 1.00 6.85 ? 275 TRP X CD1 1 ATOM 2123 C CD2 . TRP A 1 271 ? -2.412 42.746 42.175 1.00 4.91 ? 275 TRP X CD2 1 ATOM 2124 N NE1 . TRP A 1 271 ? -4.539 42.386 42.800 1.00 6.05 ? 275 TRP X NE1 1 ATOM 2125 C CE2 . TRP A 1 271 ? -3.239 42.029 43.067 1.00 5.58 ? 275 TRP X CE2 1 ATOM 2126 C CE3 . TRP A 1 271 ? -1.023 42.560 42.239 1.00 5.56 ? 275 TRP X CE3 1 ATOM 2127 C CZ2 . TRP A 1 271 ? -2.722 41.151 44.020 1.00 4.67 ? 275 TRP X CZ2 1 ATOM 2128 C CZ3 . TRP A 1 271 ? -0.513 41.675 43.187 1.00 5.40 ? 275 TRP X CZ3 1 ATOM 2129 C CH2 . TRP A 1 271 ? -1.359 40.972 44.056 1.00 5.02 ? 275 TRP X CH2 1 ATOM 2130 N N . ALA A 1 272 ? -0.250 45.737 41.273 1.00 5.45 ? 276 ALA X N 1 ATOM 2131 C CA . ALA A 1 272 ? 0.904 45.750 42.171 1.00 5.94 ? 276 ALA X CA 1 ATOM 2132 C C . ALA A 1 272 ? 1.144 47.105 42.821 1.00 5.55 ? 276 ALA X C 1 ATOM 2133 O O . ALA A 1 272 ? 1.590 47.156 43.956 1.00 6.04 ? 276 ALA X O 1 ATOM 2134 C CB . ALA A 1 272 ? 2.161 45.259 41.455 1.00 6.26 ? 276 ALA X CB 1 ATOM 2135 N N . GLN A 1 273 ? 0.847 48.189 42.103 1.00 5.47 ? 277 GLN X N 1 ATOM 2136 C CA . GLN A 1 273 ? 0.880 49.530 42.695 1.00 6.12 ? 277 GLN X CA 1 ATOM 2137 C C . GLN A 1 273 ? -0.128 49.684 43.841 1.00 6.36 ? 277 GLN X C 1 ATOM 2138 O O . GLN A 1 273 ? 0.215 50.139 44.923 1.00 6.85 ? 277 GLN X O 1 ATOM 2139 C CB . GLN A 1 273 ? 0.613 50.592 41.625 1.00 6.50 ? 277 GLN X CB 1 ATOM 2140 C CG . GLN A 1 273 ? 1.689 50.703 40.565 1.00 6.88 ? 277 GLN X CG 1 ATOM 2141 C CD . GLN A 1 273 ? 1.350 51.695 39.477 1.00 8.80 ? 277 GLN X CD 1 ATOM 2142 O OE1 . GLN A 1 273 ? 0.223 51.726 38.983 1.00 10.29 ? 277 GLN X OE1 1 ATOM 2143 N NE2 . GLN A 1 273 ? 2.336 52.475 39.061 1.00 8.94 ? 277 GLN X NE2 1 ATOM 2144 N N . ILE A 1 274 ? -1.368 49.266 43.601 1.00 6.36 ? 278 ILE X N 1 ATOM 2145 C CA . ILE A 1 274 ? -2.410 49.335 44.620 1.00 7.61 ? 278 ILE X CA 1 ATOM 2146 C C . ILE A 1 274 ? -2.064 48.485 45.838 1.00 6.58 ? 278 ILE X C 1 ATOM 2147 O O . ILE A 1 274 ? -2.186 48.928 46.985 1.00 6.55 ? 278 ILE X O 1 ATOM 2148 C CB . ILE A 1 274 ? -3.791 48.943 44.024 1.00 8.25 ? 278 ILE X CB 1 ATOM 2149 C CG1 . ILE A 1 274 ? -4.241 50.028 43.039 1.00 10.50 ? 278 ILE X CG1 1 ATOM 2150 C CG2 . ILE A 1 274 ? -4.831 48.725 45.126 1.00 9.70 ? 278 ILE X CG2 1 ATOM 2151 C CD1 . ILE A 1 274 ? -5.572 49.789 42.396 1.00 9.90 ? 278 ILE X CD1 1 ATOM 2152 N N . VAL A 1 275 ? -1.614 47.257 45.595 1.00 6.71 ? 279 VAL X N 1 ATOM 2153 C CA . VAL A 1 275 ? -1.272 46.373 46.714 1.00 6.08 ? 279 VAL X CA 1 ATOM 2154 C C . VAL A 1 275 ? -0.023 46.848 47.459 1.00 5.30 ? 279 VAL X C 1 ATOM 2155 O O . VAL A 1 275 ? 0.079 46.657 48.656 1.00 5.51 ? 279 VAL X O 1 ATOM 2156 C CB . VAL A 1 275 ? -1.202 44.885 46.279 1.00 5.90 ? 279 VAL X CB 1 ATOM 2157 C CG1 . VAL A 1 275 ? -0.899 43.995 47.454 1.00 6.92 ? 279 VAL X CG1 1 ATOM 2158 C CG2 . VAL A 1 275 ? -2.525 44.476 45.685 1.00 7.96 ? 279 VAL X CG2 1 ATOM 2159 N N . THR A 1 276 ? 0.905 47.487 46.753 1.00 5.44 ? 280 THR X N 1 ATOM 2160 C CA . THR A 1 276 ? 2.032 48.138 47.422 1.00 6.09 ? 280 THR X CA 1 ATOM 2161 C C . THR A 1 276 ? 1.544 49.248 48.369 1.00 6.01 ? 280 THR X C 1 ATOM 2162 O O . THR A 1 276 ? 2.040 49.365 49.503 1.00 7.05 ? 280 THR X O 1 ATOM 2163 C CB . THR A 1 276 ? 3.064 48.674 46.419 1.00 5.40 ? 280 THR X CB 1 ATOM 2164 O OG1 . THR A 1 276 ? 3.668 47.574 45.718 1.00 6.25 ? 280 THR X OG1 1 ATOM 2165 C CG2 . THR A 1 276 ? 4.166 49.456 47.135 1.00 6.46 ? 280 THR X CG2 1 ATOM 2166 N N . VAL A 1 277 ? 0.559 50.041 47.933 1.00 6.83 ? 281 VAL X N 1 ATOM 2167 C CA . VAL A 1 277 ? 0.007 51.070 48.827 1.00 8.42 ? 281 VAL X CA 1 ATOM 2168 C C . VAL A 1 277 ? -0.666 50.445 50.055 1.00 7.92 ? 281 VAL X C 1 ATOM 2169 O O . VAL A 1 277 ? -0.614 51.002 51.154 1.00 8.43 ? 281 VAL X O 1 ATOM 2170 C CB . VAL A 1 277 ? -0.978 52.037 48.137 1.00 9.07 ? 281 VAL X CB 1 ATOM 2171 C CG1 . VAL A 1 277 ? -1.338 53.179 49.086 1.00 11.77 ? 281 VAL X CG1 1 ATOM 2172 C CG2 . VAL A 1 277 ? -0.391 52.637 46.888 1.00 11.78 ? 281 VAL X CG2 1 ATOM 2173 N N . ILE A 1 278 ? -1.288 49.286 49.880 1.00 6.80 ? 282 ILE X N 1 ATOM 2174 C CA . ILE A 1 278 ? -1.892 48.570 51.002 1.00 6.89 ? 282 ILE X CA 1 ATOM 2175 C C . ILE A 1 278 ? -0.839 48.042 51.991 1.00 6.66 ? 282 ILE X C 1 ATOM 2176 O O . ILE A 1 278 ? -0.975 48.210 53.215 1.00 6.78 ? 282 ILE X O 1 ATOM 2177 C CB . ILE A 1 278 ? -2.783 47.407 50.493 1.00 7.07 ? 282 ILE X CB 1 ATOM 2178 C CG1 . ILE A 1 278 ? -3.990 47.963 49.733 1.00 7.04 ? 282 ILE X CG1 1 ATOM 2179 C CG2 . ILE A 1 278 ? -3.181 46.473 51.646 1.00 6.85 ? 282 ILE X CG2 1 ATOM 2180 C CD1 . ILE A 1 278 ? -4.821 46.899 49.011 1.00 9.26 ? 282 ILE X CD1 1 ATOM 2181 N N . LEU A 1 279 ? 0.211 47.407 51.475 1.00 6.19 ? 283 LEU X N 1 ATOM 2182 C CA . LEU A 1 279 ? 1.166 46.697 52.313 1.00 6.51 ? 283 LEU X CA 1 ATOM 2183 C C . LEU A 1 279 ? 2.247 47.596 52.876 1.00 6.68 ? 283 LEU X C 1 ATOM 2184 O O . LEU A 1 279 ? 2.775 47.348 53.967 1.00 6.78 ? 283 LEU X O 1 ATOM 2185 C CB . LEU A 1 279 ? 1.844 45.620 51.485 1.00 6.57 ? 283 LEU X CB 1 ATOM 2186 C CG . LEU A 1 279 ? 0.980 44.437 51.073 1.00 6.41 ? 283 LEU X CG 1 ATOM 2187 C CD1 . LEU A 1 279 ? 1.792 43.512 50.151 1.00 6.16 ? 283 LEU X CD1 1 ATOM 2188 C CD2 . LEU A 1 279 ? 0.460 43.688 52.300 1.00 8.18 ? 283 LEU X CD2 1 ATOM 2189 N N . ARG A 1 280 ? 2.605 48.609 52.097 1.00 7.02 ? 284 ARG X N 1 ATOM 2190 C CA . ARG A 1 280 ? 3.670 49.536 52.456 1.00 7.69 ? 284 ARG X CA 1 ATOM 2191 C C . ARG A 1 280 ? 3.218 50.984 52.248 1.00 8.22 ? 284 ARG X C 1 ATOM 2192 O O . ARG A 1 280 ? 3.753 51.689 51.388 1.00 8.17 ? 284 ARG X O 1 ATOM 2193 C CB . ARG A 1 280 ? 4.937 49.224 51.650 1.00 7.80 ? 284 ARG X CB 1 ATOM 2194 C CG . ARG A 1 280 ? 5.579 47.884 52.005 1.00 6.44 ? 284 ARG X CG 1 ATOM 2195 C CD . ARG A 1 280 ? 6.842 47.588 51.207 1.00 7.65 ? 284 ARG X CD 1 ATOM 2196 N NE . ARG A 1 280 ? 7.242 46.195 51.400 1.00 7.86 ? 284 ARG X NE 1 ATOM 2197 C CZ . ARG A 1 280 ? 8.137 45.777 52.290 1.00 8.15 ? 284 ARG X CZ 1 ATOM 2198 N NH1 . ARG A 1 280 ? 8.778 46.648 53.075 1.00 9.66 ? 284 ARG X NH1 1 ATOM 2199 N NH2 . ARG A 1 280 ? 8.405 44.483 52.388 1.00 9.66 ? 284 ARG X NH2 1 ATOM 2200 N N . PRO A 1 281 ? 2.231 51.430 53.051 1.00 9.50 ? 285 PRO X N 1 ATOM 2201 C CA . PRO A 1 281 ? 1.631 52.755 52.830 1.00 10.87 ? 285 PRO X CA 1 ATOM 2202 C C . PRO A 1 281 ? 2.577 53.922 53.129 1.00 11.75 ? 285 PRO X C 1 ATOM 2203 O O . PRO A 1 281 ? 2.282 55.049 52.745 1.00 12.65 ? 285 PRO X O 1 ATOM 2204 C CB . PRO A 1 281 ? 0.417 52.769 53.768 1.00 11.29 ? 285 PRO X CB 1 ATOM 2205 C CG . PRO A 1 281 ? 0.682 51.717 54.787 1.00 11.44 ? 285 PRO X CG 1 ATOM 2206 C CD . PRO A 1 281 ? 1.619 50.711 54.183 1.00 9.61 ? 285 PRO X CD 1 ATOM 2207 N N . GLY A 1 282 ? 3.703 53.656 53.788 1.00 11.54 ? 286 GLY X N 1 ATOM 2208 C CA . GLY A 1 282 ? 4.688 54.698 54.080 1.00 13.19 ? 286 GLY X CA 1 ATOM 2209 C C . GLY A 1 282 ? 5.796 54.827 53.052 1.00 14.13 ? 286 GLY X C 1 ATOM 2210 O O . GLY A 1 282 ? 6.697 55.659 53.206 1.00 14.24 ? 286 GLY X O 1 ATOM 2211 N N . LEU A 1 283 ? 5.745 53.996 52.010 1.00 15.33 ? 287 LEU X N 1 ATOM 2212 C CA . LEU A 1 283 ? 6.719 54.047 50.920 1.00 16.86 ? 287 LEU X CA 1 ATOM 2213 C C . LEU A 1 283 ? 6.478 55.276 50.046 1.00 17.35 ? 287 LEU X C 1 ATOM 2214 O O . LEU A 1 283 ? 7.408 56.025 49.756 1.00 18.48 ? 287 LEU X O 1 ATOM 2215 C CB . LEU A 1 283 ? 6.661 52.763 50.074 1.00 16.83 ? 287 LEU X CB 1 ATOM 2216 C CG . LEU A 1 283 ? 7.728 52.516 49.000 1.00 17.76 ? 287 LEU X CG 1 ATOM 2217 C CD1 . LEU A 1 283 ? 9.089 52.227 49.623 1.00 18.96 ? 287 LEU X CD1 1 ATOM 2218 C CD2 . LEU A 1 283 ? 7.307 51.380 48.086 1.00 18.98 ? 287 LEU X CD2 1 HETATM 2219 C C1 . NAG B 2 . ? -6.931 51.156 53.861 1.00 15.62 ? 301 NAG X C1 1 HETATM 2220 C C2 . NAG B 2 . ? -6.799 52.393 52.970 1.00 16.54 ? 301 NAG X C2 1 HETATM 2221 C C3 . NAG B 2 . ? -6.720 53.697 53.770 1.00 18.60 ? 301 NAG X C3 1 HETATM 2222 C C4 . NAG B 2 . ? -7.690 53.744 54.947 1.00 19.24 ? 301 NAG X C4 1 HETATM 2223 C C5 . NAG B 2 . ? -7.719 52.432 55.734 1.00 18.39 ? 301 NAG X C5 1 HETATM 2224 C C6 . NAG B 2 . ? -8.835 52.414 56.776 1.00 19.68 ? 301 NAG X C6 1 HETATM 2225 C C7 . NAG B 2 . ? -5.749 52.005 50.811 1.00 16.84 ? 301 NAG X C7 1 HETATM 2226 C C8 . NAG B 2 . ? -4.468 51.886 50.045 1.00 17.29 ? 301 NAG X C8 1 HETATM 2227 N N2 . NAG B 2 . ? -5.635 52.259 52.110 1.00 16.78 ? 301 NAG X N2 1 HETATM 2228 O O3 . NAG B 2 . ? -7.024 54.788 52.928 1.00 19.18 ? 301 NAG X O3 1 HETATM 2229 O O4 . NAG B 2 . ? -7.305 54.808 55.792 1.00 21.74 ? 301 NAG X O4 1 HETATM 2230 O O5 . NAG B 2 . ? -7.928 51.349 54.849 1.00 16.71 ? 301 NAG X O5 1 HETATM 2231 O O6 . NAG B 2 . ? -10.109 52.552 56.174 1.00 21.05 ? 301 NAG X O6 1 HETATM 2232 O O7 . NAG B 2 . ? -6.828 51.871 50.238 1.00 17.85 ? 301 NAG X O7 1 HETATM 2233 C C1 . NAG C 2 . ? 18.154 35.691 25.675 1.00 11.88 ? 302 NAG X C1 1 HETATM 2234 C C2 . NAG C 2 . ? 18.512 34.273 26.129 1.00 14.15 ? 302 NAG X C2 1 HETATM 2235 C C3 . NAG C 2 . ? 19.556 33.667 25.195 1.00 14.27 ? 302 NAG X C3 1 HETATM 2236 C C4 . NAG C 2 . ? 19.020 33.706 23.768 1.00 14.14 ? 302 NAG X C4 1 HETATM 2237 C C5 . NAG C 2 . ? 18.621 35.139 23.409 1.00 12.98 ? 302 NAG X C5 1 HETATM 2238 C C6 . NAG C 2 . ? 17.952 35.203 22.045 1.00 14.41 ? 302 NAG X C6 1 HETATM 2239 C C7 . NAG C 2 . ? 18.377 33.463 28.409 1.00 14.89 ? 302 NAG X C7 1 HETATM 2240 C C8 . NAG C 2 . ? 18.911 33.554 29.802 1.00 16.12 ? 302 NAG X C8 1 HETATM 2241 N N2 . NAG C 2 . ? 18.952 34.266 27.509 1.00 13.93 ? 302 NAG X N2 1 HETATM 2242 O O3 . NAG C 2 . ? 19.832 32.343 25.596 1.00 17.54 ? 302 NAG X O3 1 HETATM 2243 O O4 . NAG C 2 . ? 19.993 33.247 22.849 1.00 15.98 ? 302 NAG X O4 1 HETATM 2244 O O5 . NAG C 2 . ? 17.686 35.656 24.350 1.00 11.53 ? 302 NAG X O5 1 HETATM 2245 O O6 . NAG C 2 . ? 17.983 36.542 21.599 1.00 14.27 ? 302 NAG X O6 1 HETATM 2246 O O7 . NAG C 2 . ? 17.457 32.692 28.139 1.00 14.57 ? 302 NAG X O7 1 HETATM 2247 C C . ACT D 3 . ? -2.895 29.113 42.329 1.00 9.20 ? 1288 ACT X C 1 HETATM 2248 O O . ACT D 3 . ? -3.884 29.831 42.067 1.00 10.04 ? 1288 ACT X O 1 HETATM 2249 O OXT . ACT D 3 . ? -2.975 27.912 41.987 1.00 9.04 ? 1288 ACT X OXT 1 HETATM 2250 C CH3 . ACT D 3 . ? -1.706 29.674 43.038 1.00 10.14 ? 1288 ACT X CH3 1 HETATM 2251 C C . ACT E 3 . ? 20.250 29.975 56.651 1.00 15.85 ? 1289 ACT X C 1 HETATM 2252 O O . ACT E 3 . ? 21.346 29.478 56.304 1.00 15.90 ? 1289 ACT X O 1 HETATM 2253 O OXT . ACT E 3 . ? 19.924 31.045 56.095 1.00 16.35 ? 1289 ACT X OXT 1 HETATM 2254 C CH3 . ACT E 3 . ? 19.359 29.333 57.676 1.00 16.06 ? 1289 ACT X CH3 1 HETATM 2255 C C . ACT F 3 . ? 11.422 45.505 43.914 1.00 19.80 ? 1290 ACT X C 1 HETATM 2256 O O . ACT F 3 . ? 10.606 46.030 44.703 1.00 20.23 ? 1290 ACT X O 1 HETATM 2257 O OXT . ACT F 3 . ? 11.235 45.720 42.699 1.00 20.27 ? 1290 ACT X OXT 1 HETATM 2258 C CH3 . ACT F 3 . ? 12.563 44.660 44.401 1.00 19.73 ? 1290 ACT X CH3 1 HETATM 2259 ZN ZN . ZN G 4 . ? -4.339 27.054 40.672 0.75 9.12 ? 1291 ZN X ZN 1 HETATM 2260 ZN ZN . ZN H 4 . ? -4.452 53.383 34.191 0.75 13.61 ? 1292 ZN X ZN 1 HETATM 2261 ZN ZN . ZN I 4 . ? -6.518 21.994 63.961 0.50 9.64 ? 1293 ZN X ZN 1 HETATM 2262 ZN ZN . ZN J 4 . ? -4.759 27.324 42.353 0.25 6.97 ? 1294 ZN X ZN 1 HETATM 2263 ZN ZN . ZN K 4 . ? 14.060 19.461 56.865 0.50 8.56 ? 1295 ZN X ZN 1 HETATM 2264 ZN ZN . ZN L 4 . ? 6.296 19.559 24.128 0.50 11.10 ? 1296 ZN X ZN 1 HETATM 2265 ZN ZN . ZN M 4 . ? 21.194 31.888 54.972 0.75 7.58 ? 1297 ZN X ZN 1 HETATM 2266 ZN ZN . ZN N 4 . ? 5.266 19.472 24.176 0.50 16.12 ? 1298 ZN X ZN 1 HETATM 2267 O O . HOH O 5 . ? 15.104 32.049 58.988 1.00 32.79 ? 2001 HOH X O 1 HETATM 2268 O O . HOH O 5 . ? 10.420 39.542 51.093 1.00 16.83 ? 2002 HOH X O 1 HETATM 2269 O O . HOH O 5 . ? 9.451 44.993 57.403 1.00 12.64 ? 2003 HOH X O 1 HETATM 2270 O O . HOH O 5 . ? 12.047 43.909 57.857 1.00 26.49 ? 2004 HOH X O 1 HETATM 2271 O O . HOH O 5 . ? 14.069 45.326 56.980 1.00 26.20 ? 2005 HOH X O 1 HETATM 2272 O O . HOH O 5 . ? 12.414 47.458 54.202 1.00 24.69 ? 2006 HOH X O 1 HETATM 2273 O O . HOH O 5 . ? 14.159 45.602 53.263 1.00 25.13 ? 2007 HOH X O 1 HETATM 2274 O O . HOH O 5 . ? 10.520 41.692 58.042 1.00 20.02 ? 2008 HOH X O 1 HETATM 2275 O O . HOH O 5 . ? 5.689 44.075 58.035 1.00 20.63 ? 2009 HOH X O 1 HETATM 2276 O O . HOH O 5 . ? 12.950 38.770 49.889 1.00 23.05 ? 2010 HOH X O 1 HETATM 2277 O O . HOH O 5 . ? 12.132 40.966 49.591 1.00 27.10 ? 2011 HOH X O 1 HETATM 2278 O O . HOH O 5 . ? 11.672 39.283 58.318 1.00 32.45 ? 2012 HOH X O 1 HETATM 2279 O O . HOH O 5 . ? 6.189 44.421 49.435 1.00 6.89 ? 2013 HOH X O 1 HETATM 2280 O O . HOH O 5 . ? 11.079 36.391 56.714 1.00 31.56 ? 2014 HOH X O 1 HETATM 2281 O O . HOH O 5 . ? 10.291 36.009 59.214 1.00 25.85 ? 2015 HOH X O 1 HETATM 2282 O O . HOH O 5 . ? 10.781 33.735 53.535 1.00 18.04 ? 2016 HOH X O 1 HETATM 2283 O O . HOH O 5 . ? 10.936 35.915 52.174 1.00 20.54 ? 2017 HOH X O 1 HETATM 2284 O O . HOH O 5 . ? 8.800 34.654 57.366 1.00 30.00 ? 2018 HOH X O 1 HETATM 2285 O O . HOH O 5 . ? -4.298 34.097 27.261 1.00 29.84 ? 2019 HOH X O 1 HETATM 2286 O O . HOH O 5 . ? -6.510 33.752 31.522 1.00 28.59 ? 2020 HOH X O 1 HETATM 2287 O O . HOH O 5 . ? -6.417 32.941 25.994 1.00 30.70 ? 2021 HOH X O 1 HETATM 2288 O O . HOH O 5 . ? -3.245 39.042 26.545 1.00 20.84 ? 2022 HOH X O 1 HETATM 2289 O O . HOH O 5 . ? 3.777 39.030 16.582 1.00 29.80 ? 2023 HOH X O 1 HETATM 2290 O O . HOH O 5 . ? 0.957 30.474 29.248 1.00 13.01 ? 2024 HOH X O 1 HETATM 2291 O O . HOH O 5 . ? -1.860 30.886 31.104 1.00 16.80 ? 2025 HOH X O 1 HETATM 2292 O O . HOH O 5 . ? -2.055 25.411 33.902 1.00 24.36 ? 2026 HOH X O 1 HETATM 2293 O O . HOH O 5 . ? -2.579 26.638 36.594 1.00 18.61 ? 2027 HOH X O 1 HETATM 2294 O O . HOH O 5 . ? 1.416 43.884 29.325 1.00 10.31 ? 2028 HOH X O 1 HETATM 2295 O O . HOH O 5 . ? 4.515 45.982 29.045 1.00 26.85 ? 2029 HOH X O 1 HETATM 2296 O O . HOH O 5 . ? 0.729 36.784 33.524 1.00 7.07 ? 2030 HOH X O 1 HETATM 2297 O O . HOH O 5 . ? -4.444 33.378 29.807 1.00 13.12 ? 2031 HOH X O 1 HETATM 2298 O O . HOH O 5 . ? 10.542 52.612 41.766 1.00 26.51 ? 2032 HOH X O 1 HETATM 2299 O O . HOH O 5 . ? 8.970 48.572 28.359 1.00 24.13 ? 2033 HOH X O 1 HETATM 2300 O O . HOH O 5 . ? 0.878 32.444 27.355 1.00 10.04 ? 2034 HOH X O 1 HETATM 2301 O O . HOH O 5 . ? 7.403 36.090 27.772 1.00 10.84 ? 2035 HOH X O 1 HETATM 2302 O O . HOH O 5 . ? 3.570 30.217 28.416 1.00 10.51 ? 2036 HOH X O 1 HETATM 2303 O O . HOH O 5 . ? 4.492 56.346 43.739 1.00 29.38 ? 2037 HOH X O 1 HETATM 2304 O O . HOH O 5 . ? 5.236 55.285 46.126 1.00 28.19 ? 2038 HOH X O 1 HETATM 2305 O O . HOH O 5 . ? -1.195 33.699 23.534 1.00 21.94 ? 2039 HOH X O 1 HETATM 2306 O O . HOH O 5 . ? -1.623 32.565 26.245 1.00 19.77 ? 2040 HOH X O 1 HETATM 2307 O O . HOH O 5 . ? -2.567 36.526 26.433 1.00 20.80 ? 2041 HOH X O 1 HETATM 2308 O O . HOH O 5 . ? 7.999 34.220 21.822 1.00 11.94 ? 2042 HOH X O 1 HETATM 2309 O O . HOH O 5 . ? 10.449 49.580 47.164 1.00 25.99 ? 2043 HOH X O 1 HETATM 2310 O O . HOH O 5 . ? 2.772 42.114 24.484 1.00 20.88 ? 2044 HOH X O 1 HETATM 2311 O O . HOH O 5 . ? 15.157 35.298 49.995 1.00 29.06 ? 2045 HOH X O 1 HETATM 2312 O O . HOH O 5 . ? -3.867 40.039 24.149 1.00 23.65 ? 2046 HOH X O 1 HETATM 2313 O O . HOH O 5 . ? 0.267 36.712 15.793 1.00 29.65 ? 2047 HOH X O 1 HETATM 2314 O O . HOH O 5 . ? 6.124 35.055 19.728 1.00 20.13 ? 2048 HOH X O 1 HETATM 2315 O O . HOH O 5 . ? 6.009 37.375 18.349 1.00 25.09 ? 2049 HOH X O 1 HETATM 2316 O O . HOH O 5 . ? 0.700 32.158 22.742 1.00 22.57 ? 2050 HOH X O 1 HETATM 2317 O O . HOH O 5 . ? 6.942 33.162 17.968 1.00 25.94 ? 2051 HOH X O 1 HETATM 2318 O O . HOH O 5 . ? 2.931 8.763 27.404 1.00 27.00 ? 2052 HOH X O 1 HETATM 2319 O O . HOH O 5 . ? 9.455 16.407 23.741 1.00 30.60 ? 2053 HOH X O 1 HETATM 2320 O O . HOH O 5 . ? 9.862 20.265 21.739 1.00 33.63 ? 2054 HOH X O 1 HETATM 2321 O O . HOH O 5 . ? 1.383 25.545 21.312 1.00 30.93 ? 2055 HOH X O 1 HETATM 2322 O O . HOH O 5 . ? 1.409 28.270 21.832 1.00 26.43 ? 2056 HOH X O 1 HETATM 2323 O O . HOH O 5 . ? 6.895 41.822 23.555 1.00 14.72 ? 2057 HOH X O 1 HETATM 2324 O O . HOH O 5 . ? 8.413 38.208 29.491 1.00 9.52 ? 2058 HOH X O 1 HETATM 2325 O O . HOH O 5 . ? 16.687 22.819 29.774 1.00 25.24 ? 2059 HOH X O 1 HETATM 2326 O O . HOH O 5 . ? 3.772 43.611 27.817 1.00 18.09 ? 2060 HOH X O 1 HETATM 2327 O O . HOH O 5 . ? 3.490 44.169 31.206 1.00 10.17 ? 2061 HOH X O 1 HETATM 2328 O O . HOH O 5 . ? 10.622 29.687 17.274 1.00 26.93 ? 2062 HOH X O 1 HETATM 2329 O O . HOH O 5 . ? 8.842 46.462 42.210 1.00 9.23 ? 2063 HOH X O 1 HETATM 2330 O O . HOH O 5 . ? 10.165 49.034 41.532 1.00 17.69 ? 2064 HOH X O 1 HETATM 2331 O O . HOH O 5 . ? 18.457 47.039 34.710 1.00 28.48 ? 2065 HOH X O 1 HETATM 2332 O O . HOH O 5 . ? 8.372 49.018 31.427 1.00 23.64 ? 2066 HOH X O 1 HETATM 2333 O O . HOH O 5 . ? 9.917 51.145 30.915 1.00 33.91 ? 2067 HOH X O 1 HETATM 2334 O O . HOH O 5 . ? 7.577 52.047 33.119 1.00 28.47 ? 2068 HOH X O 1 HETATM 2335 O O . HOH O 5 . ? 24.025 40.981 34.490 1.00 14.21 ? 2069 HOH X O 1 HETATM 2336 O O . HOH O 5 . ? 23.973 49.344 38.465 1.00 31.08 ? 2070 HOH X O 1 HETATM 2337 O O . HOH O 5 . ? 26.291 45.780 41.251 1.00 17.03 ? 2071 HOH X O 1 HETATM 2338 O O . HOH O 5 . ? 24.466 49.911 40.804 1.00 28.86 ? 2072 HOH X O 1 HETATM 2339 O O . HOH O 5 . ? 14.686 45.211 48.239 1.00 26.13 ? 2073 HOH X O 1 HETATM 2340 O O . HOH O 5 . ? 17.092 45.139 46.478 1.00 30.93 ? 2074 HOH X O 1 HETATM 2341 O O . HOH O 5 . ? 8.265 51.015 41.592 1.00 10.88 ? 2075 HOH X O 1 HETATM 2342 O O . HOH O 5 . ? 1.815 53.607 36.302 1.00 24.91 ? 2076 HOH X O 1 HETATM 2343 O O . HOH O 5 . ? 5.260 49.914 31.407 1.00 27.54 ? 2077 HOH X O 1 HETATM 2344 O O . HOH O 5 . ? 2.163 54.259 41.897 1.00 24.12 ? 2078 HOH X O 1 HETATM 2345 O O . HOH O 5 . ? 8.680 54.324 42.930 1.00 23.67 ? 2079 HOH X O 1 HETATM 2346 O O . HOH O 5 . ? 1.878 52.384 44.865 1.00 17.24 ? 2080 HOH X O 1 HETATM 2347 O O . HOH O 5 . ? 3.646 53.160 46.563 1.00 27.49 ? 2081 HOH X O 1 HETATM 2348 O O . HOH O 5 . ? 9.529 50.699 44.913 1.00 31.69 ? 2082 HOH X O 1 HETATM 2349 O O . HOH O 5 . ? -3.924 15.205 31.828 1.00 23.26 ? 2083 HOH X O 1 HETATM 2350 O O . HOH O 5 . ? -3.909 19.040 31.059 1.00 32.70 ? 2084 HOH X O 1 HETATM 2351 O O . HOH O 5 . ? -2.513 13.547 39.590 1.00 21.78 ? 2085 HOH X O 1 HETATM 2352 O O . HOH O 5 . ? -2.486 9.668 45.795 1.00 22.20 ? 2086 HOH X O 1 HETATM 2353 O O . HOH O 5 . ? 12.902 40.347 47.213 1.00 11.42 ? 2087 HOH X O 1 HETATM 2354 O O . HOH O 5 . ? 5.518 2.140 40.242 1.00 28.54 ? 2088 HOH X O 1 HETATM 2355 O O . HOH O 5 . ? 12.602 36.020 50.008 1.00 14.01 ? 2089 HOH X O 1 HETATM 2356 O O . HOH O 5 . ? 2.392 3.871 45.713 1.00 34.85 ? 2090 HOH X O 1 HETATM 2357 O O . HOH O 5 . ? 16.725 0.593 49.165 1.00 20.15 ? 2091 HOH X O 1 HETATM 2358 O O . HOH O 5 . ? 16.656 5.552 48.394 1.00 36.38 ? 2092 HOH X O 1 HETATM 2359 O O . HOH O 5 . ? 18.632 10.391 48.092 1.00 29.60 ? 2093 HOH X O 1 HETATM 2360 O O . HOH O 5 . ? 1.576 20.502 36.320 1.00 19.23 ? 2094 HOH X O 1 HETATM 2361 O O . HOH O 5 . ? 0.243 20.539 31.061 1.00 30.01 ? 2095 HOH X O 1 HETATM 2362 O O . HOH O 5 . ? 0.263 25.607 32.102 1.00 14.71 ? 2096 HOH X O 1 HETATM 2363 O O . HOH O 5 . ? 25.058 26.225 39.725 1.00 20.89 ? 2097 HOH X O 1 HETATM 2364 O O . HOH O 5 . ? 2.795 13.212 33.950 1.00 18.41 ? 2098 HOH X O 1 HETATM 2365 O O . HOH O 5 . ? 1.992 17.479 33.971 1.00 28.28 ? 2099 HOH X O 1 HETATM 2366 O O . HOH O 5 . ? 21.246 31.206 30.944 1.00 28.12 ? 2100 HOH X O 1 HETATM 2367 O O . HOH O 5 . ? 8.889 15.510 32.345 1.00 8.45 ? 2101 HOH X O 1 HETATM 2368 O O . HOH O 5 . ? 3.001 19.531 29.891 1.00 23.16 ? 2102 HOH X O 1 HETATM 2369 O O . HOH O 5 . ? 1.698 4.483 33.227 1.00 22.83 ? 2103 HOH X O 1 HETATM 2370 O O . HOH O 5 . ? 1.802 9.596 29.852 1.00 21.84 ? 2104 HOH X O 1 HETATM 2371 O O . HOH O 5 . ? -9.314 18.443 42.644 1.00 29.44 ? 2105 HOH X O 1 HETATM 2372 O O . HOH O 5 . ? -8.969 15.522 46.234 1.00 25.59 ? 2106 HOH X O 1 HETATM 2373 O O . HOH O 5 . ? -9.369 24.190 38.205 1.00 34.63 ? 2107 HOH X O 1 HETATM 2374 O O . HOH O 5 . ? -9.925 24.329 42.558 1.00 26.89 ? 2108 HOH X O 1 HETATM 2375 O O . HOH O 5 . ? -7.603 29.271 40.307 1.00 25.95 ? 2109 HOH X O 1 HETATM 2376 O O . HOH O 5 . ? 11.349 11.144 30.655 1.00 9.45 ? 2110 HOH X O 1 HETATM 2377 O O . HOH O 5 . ? 8.435 15.949 26.306 1.00 18.33 ? 2111 HOH X O 1 HETATM 2378 O O . HOH O 5 . ? -2.950 9.871 48.427 1.00 19.92 ? 2112 HOH X O 1 HETATM 2379 O O . HOH O 5 . ? 13.333 18.110 31.485 1.00 14.69 ? 2113 HOH X O 1 HETATM 2380 O O . HOH O 5 . ? 12.745 20.541 29.569 1.00 12.08 ? 2114 HOH X O 1 HETATM 2381 O O . HOH O 5 . ? -3.384 7.770 53.012 1.00 25.83 ? 2115 HOH X O 1 HETATM 2382 O O . HOH O 5 . ? -1.468 8.011 50.690 1.00 31.24 ? 2116 HOH X O 1 HETATM 2383 O O . HOH O 5 . ? 8.073 3.290 49.282 1.00 30.30 ? 2117 HOH X O 1 HETATM 2384 O O . HOH O 5 . ? 12.234 3.313 50.697 1.00 26.28 ? 2118 HOH X O 1 HETATM 2385 O O . HOH O 5 . ? 8.053 18.865 23.455 1.00 29.77 ? 2119 HOH X O 1 HETATM 2386 O O . HOH O 5 . ? 6.087 21.403 23.622 1.00 18.52 ? 2120 HOH X O 1 HETATM 2387 O O . HOH O 5 . ? 2.622 21.295 28.109 1.00 25.61 ? 2121 HOH X O 1 HETATM 2388 O O . HOH O 5 . ? 3.465 28.095 26.501 1.00 13.02 ? 2122 HOH X O 1 HETATM 2389 O O . HOH O 5 . ? 3.486 23.388 22.186 1.00 25.82 ? 2123 HOH X O 1 HETATM 2390 O O . HOH O 5 . ? -1.191 24.262 28.864 1.00 35.69 ? 2124 HOH X O 1 HETATM 2391 O O . HOH O 5 . ? 0.254 21.783 26.721 1.00 32.70 ? 2125 HOH X O 1 HETATM 2392 O O . HOH O 5 . ? -2.054 26.752 23.861 1.00 36.50 ? 2126 HOH X O 1 HETATM 2393 O O . HOH O 5 . ? 1.432 28.575 24.630 1.00 20.14 ? 2127 HOH X O 1 HETATM 2394 O O . HOH O 5 . ? 24.403 16.175 49.400 1.00 29.01 ? 2128 HOH X O 1 HETATM 2395 O O . HOH O 5 . ? 13.977 22.618 28.448 1.00 19.30 ? 2129 HOH X O 1 HETATM 2396 O O . HOH O 5 . ? 14.097 29.657 26.540 1.00 11.73 ? 2130 HOH X O 1 HETATM 2397 O O . HOH O 5 . ? 17.495 27.102 23.440 1.00 25.98 ? 2131 HOH X O 1 HETATM 2398 O O . HOH O 5 . ? 14.490 21.405 25.548 1.00 18.99 ? 2132 HOH X O 1 HETATM 2399 O O . HOH O 5 . ? 16.431 22.805 22.793 1.00 21.81 ? 2133 HOH X O 1 HETATM 2400 O O . HOH O 5 . ? 19.845 24.844 25.458 1.00 27.87 ? 2134 HOH X O 1 HETATM 2401 O O . HOH O 5 . ? 8.864 28.037 19.441 1.00 19.38 ? 2135 HOH X O 1 HETATM 2402 O O . HOH O 5 . ? 8.628 24.189 19.837 1.00 26.87 ? 2136 HOH X O 1 HETATM 2403 O O . HOH O 5 . ? 11.090 22.701 22.348 1.00 18.53 ? 2137 HOH X O 1 HETATM 2404 O O . HOH O 5 . ? -5.541 17.972 56.656 1.00 27.67 ? 2138 HOH X O 1 HETATM 2405 O O . HOH O 5 . ? 9.186 32.531 20.106 1.00 22.33 ? 2139 HOH X O 1 HETATM 2406 O O . HOH O 5 . ? 10.607 35.394 23.212 1.00 13.52 ? 2140 HOH X O 1 HETATM 2407 O O . HOH O 5 . ? 11.320 34.189 21.057 1.00 18.38 ? 2141 HOH X O 1 HETATM 2408 O O . HOH O 5 . ? 9.243 34.894 26.156 1.00 9.31 ? 2142 HOH X O 1 HETATM 2409 O O . HOH O 5 . ? 7.416 30.489 19.938 1.00 24.83 ? 2143 HOH X O 1 HETATM 2410 O O . HOH O 5 . ? 2.110 31.237 25.158 1.00 16.04 ? 2144 HOH X O 1 HETATM 2411 O O . HOH O 5 . ? -15.561 18.516 54.122 1.00 14.76 ? 2145 HOH X O 1 HETATM 2412 O O . HOH O 5 . ? -8.471 15.935 51.806 1.00 29.74 ? 2146 HOH X O 1 HETATM 2413 O O . HOH O 5 . ? -10.482 13.545 49.373 1.00 28.49 ? 2147 HOH X O 1 HETATM 2414 O O . HOH O 5 . ? 13.806 37.783 23.222 1.00 13.18 ? 2148 HOH X O 1 HETATM 2415 O O . HOH O 5 . ? 6.584 28.913 62.031 1.00 19.66 ? 2149 HOH X O 1 HETATM 2416 O O . HOH O 5 . ? 18.141 34.222 32.923 1.00 17.06 ? 2150 HOH X O 1 HETATM 2417 O O . HOH O 5 . ? 19.034 39.623 29.661 1.00 15.89 ? 2151 HOH X O 1 HETATM 2418 O O . HOH O 5 . ? 21.618 35.729 27.938 1.00 23.23 ? 2152 HOH X O 1 HETATM 2419 O O . HOH O 5 . ? 15.093 16.297 59.504 1.00 28.01 ? 2153 HOH X O 1 HETATM 2420 O O . HOH O 5 . ? 15.952 33.379 36.421 1.00 11.77 ? 2154 HOH X O 1 HETATM 2421 O O . HOH O 5 . ? 17.055 46.022 37.002 1.00 13.71 ? 2155 HOH X O 1 HETATM 2422 O O . HOH O 5 . ? 19.864 42.546 32.676 1.00 20.02 ? 2156 HOH X O 1 HETATM 2423 O O . HOH O 5 . ? -15.278 42.396 59.868 1.00 25.69 ? 2157 HOH X O 1 HETATM 2424 O O . HOH O 5 . ? 17.263 39.750 43.318 1.00 11.99 ? 2158 HOH X O 1 HETATM 2425 O O . HOH O 5 . ? 19.290 34.393 35.379 1.00 16.66 ? 2159 HOH X O 1 HETATM 2426 O O . HOH O 5 . ? -11.443 39.837 65.754 1.00 23.56 ? 2160 HOH X O 1 HETATM 2427 O O . HOH O 5 . ? -17.934 33.082 59.727 1.00 32.92 ? 2161 HOH X O 1 HETATM 2428 O O . HOH O 5 . ? 21.789 42.540 34.590 1.00 25.46 ? 2162 HOH X O 1 HETATM 2429 O O . HOH O 5 . ? 24.149 46.902 39.483 1.00 18.46 ? 2163 HOH X O 1 HETATM 2430 O O . HOH O 5 . ? -8.403 32.996 66.555 1.00 26.37 ? 2164 HOH X O 1 HETATM 2431 O O . HOH O 5 . ? -10.404 35.568 66.582 1.00 35.06 ? 2165 HOH X O 1 HETATM 2432 O O . HOH O 5 . ? 14.037 48.135 42.113 1.00 27.16 ? 2166 HOH X O 1 HETATM 2433 O O . HOH O 5 . ? 14.757 46.414 45.868 1.00 24.51 ? 2167 HOH X O 1 HETATM 2434 O O . HOH O 5 . ? 1.440 32.580 65.735 1.00 30.57 ? 2168 HOH X O 1 HETATM 2435 O O . HOH O 5 . ? -8.029 27.045 68.306 1.00 37.96 ? 2169 HOH X O 1 HETATM 2436 O O . HOH O 5 . ? -5.522 30.738 69.173 1.00 31.93 ? 2170 HOH X O 1 HETATM 2437 O O . HOH O 5 . ? 15.788 42.060 47.501 1.00 23.32 ? 2171 HOH X O 1 HETATM 2438 O O . HOH O 5 . ? 11.365 34.208 45.051 1.00 23.59 ? 2172 HOH X O 1 HETATM 2439 O O . HOH O 5 . ? 19.263 36.940 45.609 1.00 17.53 ? 2173 HOH X O 1 HETATM 2440 O O . HOH O 5 . ? 19.893 36.874 49.381 1.00 24.70 ? 2174 HOH X O 1 HETATM 2441 O O . HOH O 5 . ? 18.540 39.170 49.828 1.00 22.21 ? 2175 HOH X O 1 HETATM 2442 O O . HOH O 5 . ? 7.214 34.157 62.750 1.00 19.50 ? 2176 HOH X O 1 HETATM 2443 O O . HOH O 5 . ? -6.714 34.248 35.538 1.00 23.32 ? 2177 HOH X O 1 HETATM 2444 O O . HOH O 5 . ? -9.665 40.563 31.127 1.00 20.45 ? 2178 HOH X O 1 HETATM 2445 O O . HOH O 5 . ? -0.934 23.639 35.626 1.00 11.62 ? 2179 HOH X O 1 HETATM 2446 O O . HOH O 5 . ? -0.937 20.158 40.796 1.00 8.80 ? 2180 HOH X O 1 HETATM 2447 O O . HOH O 5 . ? -8.699 50.506 41.798 1.00 19.03 ? 2181 HOH X O 1 HETATM 2448 O O . HOH O 5 . ? -15.385 47.850 43.850 1.00 30.43 ? 2182 HOH X O 1 HETATM 2449 O O . HOH O 5 . ? -6.100 21.903 33.405 1.00 32.07 ? 2183 HOH X O 1 HETATM 2450 O O . HOH O 5 . ? 0.514 18.437 38.480 1.00 7.55 ? 2184 HOH X O 1 HETATM 2451 O O . HOH O 5 . ? -2.420 17.317 32.398 1.00 26.96 ? 2185 HOH X O 1 HETATM 2452 O O . HOH O 5 . ? -0.565 15.577 39.668 1.00 9.02 ? 2186 HOH X O 1 HETATM 2453 O O . HOH O 5 . ? -1.355 13.684 41.636 1.00 18.59 ? 2187 HOH X O 1 HETATM 2454 O O . HOH O 5 . ? -0.471 10.723 44.175 1.00 10.58 ? 2188 HOH X O 1 HETATM 2455 O O . HOH O 5 . ? -2.676 12.168 37.435 1.00 29.68 ? 2189 HOH X O 1 HETATM 2456 O O . HOH O 5 . ? 1.157 10.886 34.566 1.00 24.88 ? 2190 HOH X O 1 HETATM 2457 O O . HOH O 5 . ? -1.317 9.233 41.994 1.00 14.72 ? 2191 HOH X O 1 HETATM 2458 O O . HOH O 5 . ? 5.862 4.710 39.345 1.00 12.49 ? 2192 HOH X O 1 HETATM 2459 O O . HOH O 5 . ? -1.794 4.894 41.897 1.00 32.35 ? 2193 HOH X O 1 HETATM 2460 O O . HOH O 5 . ? -1.634 41.151 27.108 1.00 16.56 ? 2194 HOH X O 1 HETATM 2461 O O . HOH O 5 . ? 8.590 12.738 46.370 1.00 9.07 ? 2195 HOH X O 1 HETATM 2462 O O . HOH O 5 . ? -9.804 44.509 32.289 1.00 18.47 ? 2196 HOH X O 1 HETATM 2463 O O . HOH O 5 . ? 3.250 6.441 45.962 1.00 30.64 ? 2197 HOH X O 1 HETATM 2464 O O . HOH O 5 . ? 5.582 6.656 46.933 1.00 28.24 ? 2198 HOH X O 1 HETATM 2465 O O . HOH O 5 . ? 6.295 9.224 46.852 1.00 18.04 ? 2199 HOH X O 1 HETATM 2466 O O . HOH O 5 . ? 0.883 7.716 46.587 1.00 16.31 ? 2200 HOH X O 1 HETATM 2467 O O . HOH O 5 . ? 10.434 6.181 45.161 1.00 18.25 ? 2201 HOH X O 1 HETATM 2468 O O . HOH O 5 . ? -5.151 47.061 25.032 1.00 25.00 ? 2202 HOH X O 1 HETATM 2469 O O . HOH O 5 . ? 2.971 47.907 27.911 1.00 20.28 ? 2203 HOH X O 1 HETATM 2470 O O . HOH O 5 . ? -2.922 52.072 28.295 1.00 30.50 ? 2204 HOH X O 1 HETATM 2471 O O . HOH O 5 . ? -5.284 51.300 25.890 1.00 27.02 ? 2205 HOH X O 1 HETATM 2472 O O . HOH O 5 . ? -3.818 49.420 24.913 1.00 27.46 ? 2206 HOH X O 1 HETATM 2473 O O . HOH O 5 . ? 13.286 0.211 39.902 1.00 20.88 ? 2207 HOH X O 1 HETATM 2474 O O . HOH O 5 . ? -2.071 53.488 42.917 1.00 29.81 ? 2208 HOH X O 1 HETATM 2475 O O . HOH O 5 . ? -7.116 52.515 40.749 1.00 27.26 ? 2209 HOH X O 1 HETATM 2476 O O . HOH O 5 . ? 14.382 1.888 41.698 1.00 26.38 ? 2210 HOH X O 1 HETATM 2477 O O . HOH O 5 . ? 12.366 1.347 44.281 1.00 27.57 ? 2211 HOH X O 1 HETATM 2478 O O . HOH O 5 . ? 15.993 7.911 45.369 1.00 23.94 ? 2212 HOH X O 1 HETATM 2479 O O . HOH O 5 . ? 17.366 5.101 42.522 1.00 24.00 ? 2213 HOH X O 1 HETATM 2480 O O . HOH O 5 . ? 17.920 5.923 44.746 1.00 28.81 ? 2214 HOH X O 1 HETATM 2481 O O . HOH O 5 . ? 14.026 0.549 46.410 1.00 27.44 ? 2215 HOH X O 1 HETATM 2482 O O . HOH O 5 . ? 16.287 3.131 47.441 1.00 30.01 ? 2216 HOH X O 1 HETATM 2483 O O . HOH O 5 . ? -2.688 54.646 52.186 1.00 37.24 ? 2217 HOH X O 1 HETATM 2484 O O . HOH O 5 . ? 16.767 7.316 38.400 1.00 19.77 ? 2218 HOH X O 1 HETATM 2485 O O . HOH O 5 . ? 0.902 56.372 49.059 1.00 26.83 ? 2219 HOH X O 1 HETATM 2486 O O . HOH O 5 . ? 18.289 12.562 40.113 1.00 16.86 ? 2220 HOH X O 1 HETATM 2487 O O . HOH O 5 . ? 19.969 10.002 45.257 1.00 27.20 ? 2221 HOH X O 1 HETATM 2488 O O . HOH O 5 . ? 16.702 13.348 35.168 1.00 14.24 ? 2222 HOH X O 1 HETATM 2489 O O . HOH O 5 . ? 16.842 12.620 32.457 1.00 20.82 ? 2223 HOH X O 1 HETATM 2490 O O . HOH O 5 . ? 8.431 6.954 33.489 1.00 9.80 ? 2224 HOH X O 1 HETATM 2491 O O . HOH O 5 . ? 17.286 15.691 34.303 1.00 24.16 ? 2225 HOH X O 1 HETATM 2492 O O . HOH O 5 . ? 14.946 19.432 33.175 1.00 11.25 ? 2226 HOH X O 1 HETATM 2493 O O . HOH O 5 . ? 14.890 13.936 30.475 1.00 17.64 ? 2227 HOH X O 1 HETATM 2494 O O . HOH O 5 . ? 20.235 15.555 43.261 1.00 13.40 ? 2228 HOH X O 1 HETATM 2495 O O . HOH O 5 . ? 16.931 17.576 32.551 1.00 19.48 ? 2229 HOH X O 1 HETATM 2496 O O . HOH O 5 . ? 16.208 22.110 32.272 1.00 19.60 ? 2230 HOH X O 1 HETATM 2497 O O . HOH O 5 . ? 19.228 28.015 40.570 1.00 12.93 ? 2231 HOH X O 1 HETATM 2498 O O . HOH O 5 . ? 22.555 27.811 37.878 1.00 23.01 ? 2232 HOH X O 1 HETATM 2499 O O . HOH O 5 . ? 18.961 30.327 31.784 1.00 19.55 ? 2233 HOH X O 1 HETATM 2500 O O . HOH O 5 . ? 23.140 24.975 33.268 1.00 32.41 ? 2234 HOH X O 1 HETATM 2501 O O . HOH O 5 . ? 17.192 31.815 32.992 1.00 16.64 ? 2235 HOH X O 1 HETATM 2502 O O . HOH O 5 . ? 20.891 33.899 32.880 1.00 23.74 ? 2236 HOH X O 1 HETATM 2503 O O . HOH O 5 . ? 25.267 32.263 33.865 1.00 26.63 ? 2237 HOH X O 1 HETATM 2504 O O . HOH O 5 . ? 16.842 32.047 47.059 1.00 14.81 ? 2238 HOH X O 1 HETATM 2505 O O . HOH O 5 . ? 18.445 30.368 45.709 1.00 28.85 ? 2239 HOH X O 1 HETATM 2506 O O . HOH O 5 . ? 18.564 37.544 42.813 1.00 18.36 ? 2240 HOH X O 1 HETATM 2507 O O . HOH O 5 . ? 0.409 23.322 47.327 1.00 7.12 ? 2241 HOH X O 1 HETATM 2508 O O . HOH O 5 . ? -2.714 27.161 39.286 1.00 16.20 ? 2242 HOH X O 1 HETATM 2509 O O . HOH O 5 . ? -3.294 23.422 46.807 1.00 7.62 ? 2243 HOH X O 1 HETATM 2510 O O . HOH O 5 . ? -7.944 20.324 41.473 1.00 18.18 ? 2244 HOH X O 1 HETATM 2511 O O . HOH O 5 . ? -7.730 17.225 44.294 1.00 16.83 ? 2245 HOH X O 1 HETATM 2512 O O . HOH O 5 . ? -6.927 19.061 39.253 1.00 28.03 ? 2246 HOH X O 1 HETATM 2513 O O . HOH O 5 . ? -7.543 22.851 40.574 1.00 21.12 ? 2247 HOH X O 1 HETATM 2514 O O . HOH O 5 . ? -5.358 26.235 39.310 0.50 7.12 ? 2248 HOH X O 1 HETATM 2515 O O . HOH O 5 . ? -6.497 25.860 39.580 0.50 11.36 ? 2249 HOH X O 1 HETATM 2516 O O . HOH O 5 . ? -6.422 26.166 42.829 0.25 3.63 ? 2250 HOH X O 1 HETATM 2517 O O . HOH O 5 . ? -5.926 27.363 42.233 0.75 9.36 ? 2251 HOH X O 1 HETATM 2518 O O . HOH O 5 . ? -3.232 12.182 42.204 1.00 27.11 ? 2252 HOH X O 1 HETATM 2519 O O . HOH O 5 . ? -2.594 12.142 50.046 1.00 14.45 ? 2253 HOH X O 1 HETATM 2520 O O . HOH O 5 . ? 4.254 7.289 49.012 1.00 23.75 ? 2254 HOH X O 1 HETATM 2521 O O . HOH O 5 . ? 2.278 8.655 52.750 1.00 13.58 ? 2255 HOH X O 1 HETATM 2522 O O . HOH O 5 . ? -0.681 9.982 52.481 1.00 17.96 ? 2256 HOH X O 1 HETATM 2523 O O . HOH O 5 . ? -0.915 12.469 56.493 1.00 20.25 ? 2257 HOH X O 1 HETATM 2524 O O . HOH O 5 . ? 4.451 14.913 57.409 1.00 7.45 ? 2258 HOH X O 1 HETATM 2525 O O . HOH O 5 . ? 2.838 6.545 51.086 1.00 26.84 ? 2259 HOH X O 1 HETATM 2526 O O . HOH O 5 . ? 6.843 8.526 48.844 1.00 30.45 ? 2260 HOH X O 1 HETATM 2527 O O . HOH O 5 . ? 9.338 3.622 51.579 1.00 26.41 ? 2261 HOH X O 1 HETATM 2528 O O . HOH O 5 . ? 16.991 18.182 53.886 1.00 10.10 ? 2262 HOH X O 1 HETATM 2529 O O . HOH O 5 . ? 20.543 14.558 48.301 1.00 23.96 ? 2263 HOH X O 1 HETATM 2530 O O . HOH O 5 . ? 21.335 12.644 46.304 1.00 32.14 ? 2264 HOH X O 1 HETATM 2531 O O . HOH O 5 . ? 15.321 27.971 54.191 1.00 3.43 ? 2265 HOH X O 1 HETATM 2532 O O . HOH O 5 . ? 12.920 27.559 55.318 1.00 15.98 ? 2266 HOH X O 1 HETATM 2533 O O . HOH O 5 . ? 15.978 24.015 56.489 1.00 13.82 ? 2267 HOH X O 1 HETATM 2534 O O . HOH O 5 . ? 18.758 25.177 57.886 1.00 17.75 ? 2268 HOH X O 1 HETATM 2535 O O . HOH O 5 . ? 23.604 18.744 49.728 1.00 27.75 ? 2269 HOH X O 1 HETATM 2536 O O . HOH O 5 . ? 22.148 22.580 43.909 1.00 19.04 ? 2270 HOH X O 1 HETATM 2537 O O . HOH O 5 . ? 23.404 19.813 45.604 1.00 27.51 ? 2271 HOH X O 1 HETATM 2538 O O . HOH O 5 . ? 14.998 29.686 52.463 1.00 16.93 ? 2272 HOH X O 1 HETATM 2539 O O . HOH O 5 . ? 16.185 32.949 51.455 1.00 23.71 ? 2273 HOH X O 1 HETATM 2540 O O . HOH O 5 . ? 20.682 33.943 55.545 1.00 15.31 ? 2274 HOH X O 1 HETATM 2541 O O . HOH O 5 . ? 18.644 34.321 50.712 1.00 25.59 ? 2275 HOH X O 1 HETATM 2542 O O . HOH O 5 . ? -4.977 22.620 48.864 1.00 6.18 ? 2276 HOH X O 1 HETATM 2543 O O . HOH O 5 . ? -4.282 19.902 55.420 1.00 9.71 ? 2277 HOH X O 1 HETATM 2544 O O . HOH O 5 . ? -5.048 22.233 58.364 1.00 9.94 ? 2278 HOH X O 1 HETATM 2545 O O . HOH O 5 . ? -8.779 25.043 62.201 1.00 16.66 ? 2279 HOH X O 1 HETATM 2546 O O . HOH O 5 . ? -11.585 29.369 54.797 1.00 13.76 ? 2280 HOH X O 1 HETATM 2547 O O . HOH O 5 . ? -12.344 18.003 58.566 1.00 32.89 ? 2281 HOH X O 1 HETATM 2548 O O . HOH O 5 . ? -4.474 19.480 58.576 1.00 19.92 ? 2282 HOH X O 1 HETATM 2549 O O . HOH O 5 . ? -6.140 18.411 60.177 1.00 29.56 ? 2283 HOH X O 1 HETATM 2550 O O . HOH O 5 . ? -5.060 20.873 63.233 1.00 22.33 ? 2284 HOH X O 1 HETATM 2551 O O . HOH O 5 . ? -7.443 20.361 64.789 1.00 20.13 ? 2285 HOH X O 1 HETATM 2552 O O . HOH O 5 . ? -8.025 23.213 64.966 1.00 22.37 ? 2286 HOH X O 1 HETATM 2553 O O . HOH O 5 . ? -7.963 18.558 55.551 1.00 25.44 ? 2287 HOH X O 1 HETATM 2554 O O . HOH O 5 . ? -11.430 17.961 54.313 1.00 24.53 ? 2288 HOH X O 1 HETATM 2555 O O . HOH O 5 . ? -14.285 19.865 56.147 1.00 12.69 ? 2289 HOH X O 1 HETATM 2556 O O . HOH O 5 . ? -13.138 18.134 52.237 1.00 30.04 ? 2290 HOH X O 1 HETATM 2557 O O . HOH O 5 . ? -10.351 17.767 51.517 1.00 15.87 ? 2291 HOH X O 1 HETATM 2558 O O . HOH O 5 . ? -10.829 18.081 47.510 1.00 24.89 ? 2292 HOH X O 1 HETATM 2559 O O . HOH O 5 . ? -7.307 16.326 49.145 1.00 14.77 ? 2293 HOH X O 1 HETATM 2560 O O . HOH O 5 . ? -6.759 16.850 53.684 1.00 18.70 ? 2294 HOH X O 1 HETATM 2561 O O . HOH O 5 . ? -5.025 15.434 55.057 1.00 31.39 ? 2295 HOH X O 1 HETATM 2562 O O . HOH O 5 . ? -2.713 15.520 60.063 1.00 21.61 ? 2296 HOH X O 1 HETATM 2563 O O . HOH O 5 . ? -1.785 16.988 61.946 1.00 25.51 ? 2297 HOH X O 1 HETATM 2564 O O . HOH O 5 . ? 8.045 26.940 60.551 1.00 11.92 ? 2298 HOH X O 1 HETATM 2565 O O . HOH O 5 . ? 2.859 15.930 66.764 1.00 31.68 ? 2299 HOH X O 1 HETATM 2566 O O . HOH O 5 . ? 11.294 15.908 59.390 1.00 28.95 ? 2300 HOH X O 1 HETATM 2567 O O . HOH O 5 . ? 12.562 19.434 58.421 1.00 14.96 ? 2301 HOH X O 1 HETATM 2568 O O . HOH O 5 . ? 12.756 17.717 55.937 1.00 25.13 ? 2302 HOH X O 1 HETATM 2569 O O . HOH O 5 . ? 16.197 20.256 58.239 1.00 18.00 ? 2303 HOH X O 1 HETATM 2570 O O . HOH O 5 . ? 16.096 19.994 60.829 1.00 24.20 ? 2304 HOH X O 1 HETATM 2571 O O . HOH O 5 . ? 16.044 19.696 55.740 1.00 14.68 ? 2305 HOH X O 1 HETATM 2572 O O . HOH O 5 . ? 14.767 17.660 57.266 1.00 29.44 ? 2306 HOH X O 1 HETATM 2573 O O . HOH O 5 . ? 9.821 32.053 56.636 1.00 21.87 ? 2307 HOH X O 1 HETATM 2574 O O . HOH O 5 . ? 11.977 32.050 55.462 1.00 26.47 ? 2308 HOH X O 1 HETATM 2575 O O . HOH O 5 . ? -8.160 26.772 43.337 0.75 19.74 ? 2309 HOH X O 1 HETATM 2576 O O . HOH O 5 . ? -9.328 36.376 45.686 1.00 7.01 ? 2310 HOH X O 1 HETATM 2577 O O . HOH O 5 . ? -10.520 36.549 49.139 1.00 6.90 ? 2311 HOH X O 1 HETATM 2578 O O . HOH O 5 . ? -13.470 31.724 48.084 1.00 10.25 ? 2312 HOH X O 1 HETATM 2579 O O . HOH O 5 . ? -13.334 25.336 43.495 1.00 15.06 ? 2313 HOH X O 1 HETATM 2580 O O . HOH O 5 . ? -14.246 27.311 42.268 1.00 24.33 ? 2314 HOH X O 1 HETATM 2581 O O . HOH O 5 . ? -16.169 28.375 43.707 1.00 23.53 ? 2315 HOH X O 1 HETATM 2582 O O . HOH O 5 . ? -8.722 27.506 42.078 0.25 2.00 ? 2316 HOH X O 1 HETATM 2583 O O . HOH O 5 . ? -11.738 30.547 40.896 1.00 14.70 ? 2317 HOH X O 1 HETATM 2584 O O . HOH O 5 . ? -14.694 33.758 49.055 1.00 27.44 ? 2318 HOH X O 1 HETATM 2585 O O . HOH O 5 . ? -9.236 36.158 56.420 1.00 7.24 ? 2319 HOH X O 1 HETATM 2586 O O . HOH O 5 . ? -12.546 35.351 56.234 1.00 9.28 ? 2320 HOH X O 1 HETATM 2587 O O . HOH O 5 . ? -13.170 35.853 48.521 1.00 17.14 ? 2321 HOH X O 1 HETATM 2588 O O . HOH O 5 . ? -16.355 36.664 52.205 1.00 27.58 ? 2322 HOH X O 1 HETATM 2589 O O . HOH O 5 . ? -13.240 43.806 53.720 1.00 18.65 ? 2323 HOH X O 1 HETATM 2590 O O . HOH O 5 . ? -15.047 43.227 56.748 1.00 30.26 ? 2324 HOH X O 1 HETATM 2591 O O . HOH O 5 . ? -12.391 43.419 56.852 1.00 19.35 ? 2325 HOH X O 1 HETATM 2592 O O . HOH O 5 . ? -13.589 38.649 61.229 1.00 27.28 ? 2326 HOH X O 1 HETATM 2593 O O . HOH O 5 . ? -12.471 41.626 59.651 1.00 14.10 ? 2327 HOH X O 1 HETATM 2594 O O . HOH O 5 . ? -9.749 39.690 63.737 1.00 17.38 ? 2328 HOH X O 1 HETATM 2595 O O . HOH O 5 . ? -11.472 33.291 63.215 1.00 11.95 ? 2329 HOH X O 1 HETATM 2596 O O . HOH O 5 . ? -15.196 32.437 58.714 1.00 12.90 ? 2330 HOH X O 1 HETATM 2597 O O . HOH O 5 . ? -13.775 37.122 63.645 1.00 28.32 ? 2331 HOH X O 1 HETATM 2598 O O . HOH O 5 . ? -5.575 33.873 65.439 1.00 14.18 ? 2332 HOH X O 1 HETATM 2599 O O . HOH O 5 . ? -11.320 35.979 63.913 1.00 15.83 ? 2333 HOH X O 1 HETATM 2600 O O . HOH O 5 . ? -8.004 36.669 66.355 1.00 25.46 ? 2334 HOH X O 1 HETATM 2601 O O . HOH O 5 . ? -9.895 31.595 64.918 1.00 17.14 ? 2335 HOH X O 1 HETATM 2602 O O . HOH O 5 . ? -7.964 27.135 64.077 1.00 13.10 ? 2336 HOH X O 1 HETATM 2603 O O . HOH O 5 . ? -14.050 32.483 63.563 1.00 28.91 ? 2337 HOH X O 1 HETATM 2604 O O . HOH O 5 . ? 0.430 30.456 64.619 1.00 21.29 ? 2338 HOH X O 1 HETATM 2605 O O . HOH O 5 . ? -0.639 28.058 67.041 1.00 32.58 ? 2339 HOH X O 1 HETATM 2606 O O . HOH O 5 . ? -7.073 25.482 66.119 1.00 18.75 ? 2340 HOH X O 1 HETATM 2607 O O . HOH O 5 . ? -4.547 24.320 66.900 1.00 28.34 ? 2341 HOH X O 1 HETATM 2608 O O . HOH O 5 . ? -4.590 28.174 68.886 1.00 28.08 ? 2342 HOH X O 1 HETATM 2609 O O . HOH O 5 . ? -2.575 22.329 63.909 1.00 19.84 ? 2343 HOH X O 1 HETATM 2610 O O . HOH O 5 . ? 0.470 24.025 61.799 1.00 27.04 ? 2344 HOH X O 1 HETATM 2611 O O . HOH O 5 . ? -5.518 22.118 65.606 1.00 27.48 ? 2345 HOH X O 1 HETATM 2612 O O . HOH O 5 . ? 3.095 29.307 64.606 1.00 19.85 ? 2346 HOH X O 1 HETATM 2613 O O . HOH O 5 . ? 4.029 28.363 61.284 1.00 23.02 ? 2347 HOH X O 1 HETATM 2614 O O . HOH O 5 . ? 4.674 35.395 62.501 1.00 9.69 ? 2348 HOH X O 1 HETATM 2615 O O . HOH O 5 . ? -9.413 38.990 44.993 1.00 7.24 ? 2349 HOH X O 1 HETATM 2616 O O . HOH O 5 . ? -8.257 41.893 46.066 1.00 7.47 ? 2350 HOH X O 1 HETATM 2617 O O . HOH O 5 . ? -7.095 41.559 43.681 1.00 6.68 ? 2351 HOH X O 1 HETATM 2618 O O . HOH O 5 . ? -7.503 36.269 38.316 1.00 8.05 ? 2352 HOH X O 1 HETATM 2619 O O . HOH O 5 . ? -8.133 42.985 41.541 1.00 7.28 ? 2353 HOH X O 1 HETATM 2620 O O . HOH O 5 . ? -5.604 36.654 36.274 1.00 7.63 ? 2354 HOH X O 1 HETATM 2621 O O . HOH O 5 . ? -8.344 35.963 34.580 1.00 27.21 ? 2355 HOH X O 1 HETATM 2622 O O . HOH O 5 . ? -8.405 33.836 37.562 1.00 16.30 ? 2356 HOH X O 1 HETATM 2623 O O . HOH O 5 . ? -12.928 34.245 30.857 1.00 28.18 ? 2357 HOH X O 1 HETATM 2624 O O . HOH O 5 . ? -8.829 35.536 30.301 1.00 32.25 ? 2358 HOH X O 1 HETATM 2625 O O . HOH O 5 . ? -8.285 38.354 30.405 1.00 19.12 ? 2359 HOH X O 1 HETATM 2626 O O . HOH O 5 . ? -12.111 39.555 32.229 1.00 16.46 ? 2360 HOH X O 1 HETATM 2627 O O . HOH O 5 . ? -14.830 36.178 41.655 1.00 13.83 ? 2361 HOH X O 1 HETATM 2628 O O . HOH O 5 . ? -13.940 29.388 39.727 1.00 14.34 ? 2362 HOH X O 1 HETATM 2629 O O . HOH O 5 . ? -16.669 40.422 45.665 1.00 14.89 ? 2363 HOH X O 1 HETATM 2630 O O . HOH O 5 . ? -10.927 46.601 43.401 1.00 14.47 ? 2364 HOH X O 1 HETATM 2631 O O . HOH O 5 . ? -11.148 48.620 45.475 1.00 16.55 ? 2365 HOH X O 1 HETATM 2632 O O . HOH O 5 . ? -8.182 47.878 42.442 1.00 15.91 ? 2366 HOH X O 1 HETATM 2633 O O . HOH O 5 . ? -7.928 49.774 46.904 1.00 21.59 ? 2367 HOH X O 1 HETATM 2634 O O . HOH O 5 . ? -13.696 48.171 52.730 1.00 32.97 ? 2368 HOH X O 1 HETATM 2635 O O . HOH O 5 . ? -10.165 50.065 52.214 1.00 12.99 ? 2369 HOH X O 1 HETATM 2636 O O . HOH O 5 . ? -14.920 48.706 46.399 1.00 27.78 ? 2370 HOH X O 1 HETATM 2637 O O . HOH O 5 . ? -14.727 47.355 50.076 1.00 32.64 ? 2371 HOH X O 1 HETATM 2638 O O . HOH O 5 . ? -15.864 42.122 49.886 1.00 21.43 ? 2372 HOH X O 1 HETATM 2639 O O . HOH O 5 . ? -16.689 44.391 49.194 1.00 26.57 ? 2373 HOH X O 1 HETATM 2640 O O . HOH O 5 . ? -3.076 49.709 54.250 1.00 13.89 ? 2374 HOH X O 1 HETATM 2641 O O . HOH O 5 . ? -9.691 47.591 59.356 1.00 15.48 ? 2375 HOH X O 1 HETATM 2642 O O . HOH O 5 . ? -14.162 46.776 59.074 1.00 22.49 ? 2376 HOH X O 1 HETATM 2643 O O . HOH O 5 . ? -14.339 46.035 54.494 1.00 28.17 ? 2377 HOH X O 1 HETATM 2644 O O . HOH O 5 . ? -11.520 43.945 59.318 1.00 31.87 ? 2378 HOH X O 1 HETATM 2645 O O . HOH O 5 . ? -14.263 49.375 58.436 1.00 25.10 ? 2379 HOH X O 1 HETATM 2646 O O . HOH O 5 . ? -11.447 50.647 54.551 1.00 23.06 ? 2380 HOH X O 1 HETATM 2647 O O . HOH O 5 . ? -2.914 48.196 61.122 1.00 11.12 ? 2381 HOH X O 1 HETATM 2648 O O . HOH O 5 . ? -8.288 47.890 61.893 1.00 18.54 ? 2382 HOH X O 1 HETATM 2649 O O . HOH O 5 . ? -8.715 42.074 64.160 1.00 21.95 ? 2383 HOH X O 1 HETATM 2650 O O . HOH O 5 . ? -2.677 43.537 68.805 1.00 15.10 ? 2384 HOH X O 1 HETATM 2651 O O . HOH O 5 . ? -6.182 44.708 66.966 1.00 22.28 ? 2385 HOH X O 1 HETATM 2652 O O . HOH O 5 . ? -8.159 46.811 64.257 1.00 24.59 ? 2386 HOH X O 1 HETATM 2653 O O . HOH O 5 . ? -1.636 41.031 69.370 1.00 25.44 ? 2387 HOH X O 1 HETATM 2654 O O . HOH O 5 . ? 3.866 45.677 59.203 1.00 16.16 ? 2388 HOH X O 1 HETATM 2655 O O . HOH O 5 . ? 4.526 38.278 62.043 1.00 22.63 ? 2389 HOH X O 1 HETATM 2656 O O . HOH O 5 . ? 7.190 38.603 61.886 1.00 20.04 ? 2390 HOH X O 1 HETATM 2657 O O . HOH O 5 . ? 3.018 43.117 57.100 1.00 14.06 ? 2391 HOH X O 1 HETATM 2658 O O . HOH O 5 . ? -6.004 30.763 35.398 1.00 24.41 ? 2392 HOH X O 1 HETATM 2659 O O . HOH O 5 . ? -4.999 28.950 39.840 1.00 14.11 ? 2393 HOH X O 1 HETATM 2660 O O . HOH O 5 . ? -5.586 28.795 37.241 1.00 25.74 ? 2394 HOH X O 1 HETATM 2661 O O . HOH O 5 . ? -5.102 33.014 33.792 1.00 23.13 ? 2395 HOH X O 1 HETATM 2662 O O . HOH O 5 . ? -0.961 42.549 29.576 1.00 9.67 ? 2396 HOH X O 1 HETATM 2663 O O . HOH O 5 . ? -9.113 42.077 33.334 1.00 11.51 ? 2397 HOH X O 1 HETATM 2664 O O . HOH O 5 . ? -3.812 46.453 36.921 1.00 6.24 ? 2398 HOH X O 1 HETATM 2665 O O . HOH O 5 . ? -0.642 41.199 39.334 1.00 5.63 ? 2399 HOH X O 1 HETATM 2666 O O . HOH O 5 . ? -9.393 47.126 33.082 1.00 16.64 ? 2400 HOH X O 1 HETATM 2667 O O . HOH O 5 . ? -10.913 49.160 36.003 1.00 23.35 ? 2401 HOH X O 1 HETATM 2668 O O . HOH O 5 . ? -8.057 51.320 33.491 1.00 30.27 ? 2402 HOH X O 1 HETATM 2669 O O . HOH O 5 . ? -8.694 48.268 30.679 1.00 28.38 ? 2403 HOH X O 1 HETATM 2670 O O . HOH O 5 . ? -7.015 46.560 29.179 1.00 15.21 ? 2404 HOH X O 1 HETATM 2671 O O . HOH O 5 . ? -5.935 50.333 31.763 1.00 14.31 ? 2405 HOH X O 1 HETATM 2672 O O . HOH O 5 . ? -8.199 44.254 29.919 1.00 19.05 ? 2406 HOH X O 1 HETATM 2673 O O . HOH O 5 . ? -3.918 44.759 26.062 1.00 22.01 ? 2407 HOH X O 1 HETATM 2674 O O . HOH O 5 . ? -0.911 45.678 26.274 1.00 22.44 ? 2408 HOH X O 1 HETATM 2675 O O . HOH O 5 . ? 0.603 46.424 28.513 1.00 11.59 ? 2409 HOH X O 1 HETATM 2676 O O . HOH O 5 . ? -7.654 42.474 26.498 1.00 27.23 ? 2410 HOH X O 1 HETATM 2677 O O . HOH O 5 . ? -0.545 50.529 28.244 1.00 27.22 ? 2411 HOH X O 1 HETATM 2678 O O . HOH O 5 . ? -5.394 51.829 29.465 1.00 30.68 ? 2412 HOH X O 1 HETATM 2679 O O . HOH O 5 . ? -2.819 54.859 33.739 1.00 18.52 ? 2413 HOH X O 1 HETATM 2680 O O . HOH O 5 . ? -5.973 52.218 34.625 1.00 22.18 ? 2414 HOH X O 1 HETATM 2681 O O . HOH O 5 . ? -5.666 54.515 32.904 1.00 21.63 ? 2415 HOH X O 1 HETATM 2682 O O . HOH O 5 . ? -0.001 52.868 30.114 1.00 30.54 ? 2416 HOH X O 1 HETATM 2683 O O . HOH O 5 . ? -0.267 52.970 34.965 1.00 16.95 ? 2417 HOH X O 1 HETATM 2684 O O . HOH O 5 . ? 0.371 43.819 38.910 1.00 5.12 ? 2418 HOH X O 1 HETATM 2685 O O . HOH O 5 . ? -2.371 51.969 40.520 1.00 33.33 ? 2419 HOH X O 1 HETATM 2686 O O . HOH O 5 . ? -4.805 52.332 39.328 1.00 29.82 ? 2420 HOH X O 1 HETATM 2687 O O . HOH O 5 . ? -5.000 54.667 35.767 1.00 20.10 ? 2421 HOH X O 1 HETATM 2688 O O . HOH O 5 . ? -0.767 54.144 38.101 1.00 22.33 ? 2422 HOH X O 1 HETATM 2689 O O . HOH O 5 . ? -4.366 50.805 47.299 1.00 30.83 ? 2423 HOH X O 1 HETATM 2690 O O . HOH O 5 . ? -2.571 52.098 52.669 1.00 18.70 ? 2424 HOH X O 1 HETATM 2691 O O . HOH O 5 . ? -0.422 46.959 55.854 1.00 16.26 ? 2425 HOH X O 1 HETATM 2692 O O . HOH O 5 . ? 2.140 45.653 56.110 1.00 15.01 ? 2426 HOH X O 1 HETATM 2693 O O . HOH O 5 . ? 3.032 52.956 49.068 1.00 20.94 ? 2427 HOH X O 1 HETATM 2694 O O . HOH O 5 . ? -0.201 55.757 51.631 1.00 24.65 ? 2428 HOH X O 1 HETATM 2695 O O . HOH O 5 . ? 2.801 57.973 54.543 1.00 21.75 ? 2429 HOH X O 1 HETATM 2696 O O . HOH O 5 . ? 7.299 58.414 52.274 1.00 29.30 ? 2430 HOH X O 1 HETATM 2697 O O . HOH O 5 . ? 22.172 31.998 26.854 1.00 38.15 ? 2431 HOH X O 1 HETATM 2698 O O . HOH O 5 . ? 17.862 38.673 23.210 1.00 11.42 ? 2432 HOH X O 1 HETATM 2699 O O . HOH O 5 . ? 17.379 32.467 55.987 1.00 28.73 ? 2433 HOH X O 1 HETATM 2700 O O . HOH O 5 . ? 5.504 18.827 22.264 1.00 24.38 ? 2434 HOH X 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 ASP 1 5 5 ASP ASP X . n A 1 2 LEU 2 6 6 LEU LEU X . n A 1 3 PRO 3 7 7 PRO PRO X . n A 1 4 ARG 4 8 8 ARG ARG X . n A 1 5 LEU 5 9 9 LEU LEU X . n A 1 6 ILE 6 10 10 ILE ILE X . n A 1 7 VAL 7 11 11 VAL VAL X . n A 1 8 TYR 8 12 12 TYR TYR X . n A 1 9 PHE 9 13 13 PHE PHE X . n A 1 10 GLN 10 14 14 GLN GLN X . n A 1 11 THR 11 15 15 THR THR X . n A 1 12 THR 12 16 16 THR THR X . n A 1 13 HIS 13 17 17 HIS HIS X . n A 1 14 ASP 14 18 18 ASP ASP X . n A 1 15 SER 15 19 19 SER SER X . n A 1 16 SER 16 20 20 SER SER X . n A 1 17 ASN 17 21 21 ASN ASN X . n A 1 18 ARG 18 22 22 ARG ARG X . n A 1 19 PRO 19 23 23 PRO PRO X . n A 1 20 ILE 20 24 24 ILE ILE X . n A 1 21 SER 21 25 25 SER SER X . n A 1 22 MET 22 26 26 MET MET X . n A 1 23 LEU 23 27 27 LEU LEU X . n A 1 24 PRO 24 28 28 PRO PRO X . n A 1 25 LEU 25 29 29 LEU LEU X . n A 1 26 ILE 26 30 30 ILE ILE X . n A 1 27 THR 27 31 31 THR THR X . n A 1 28 GLU 28 32 32 GLU GLU X . n A 1 29 LYS 29 33 33 LYS LYS X . n A 1 30 GLY 30 34 34 GLY GLY X . n A 1 31 ILE 31 35 35 ILE ILE X . n A 1 32 ALA 32 36 36 ALA ALA X . n A 1 33 LEU 33 37 37 LEU LEU X . n A 1 34 THR 34 38 38 THR THR X . n A 1 35 HIS 35 39 39 HIS HIS X . n A 1 36 LEU 36 40 40 LEU LEU X . n A 1 37 ILE 37 41 41 ILE ILE X . n A 1 38 VAL 38 42 42 VAL VAL X . n A 1 39 CYS 39 43 43 CYS CYS X . n A 1 40 SER 40 44 44 SER SER X . n A 1 41 PHE 41 45 45 PHE PHE X . n A 1 42 HIS 42 46 46 HIS HIS X . n A 1 43 ILE 43 47 47 ILE ILE X . n A 1 44 ASN 44 48 48 ASN ASN X . n A 1 45 GLN 45 49 49 GLN GLN X . n A 1 46 GLY 46 50 50 GLY GLY X . n A 1 47 GLY 47 51 51 GLY GLY X . n A 1 48 VAL 48 52 52 VAL VAL X . n A 1 49 VAL 49 53 53 VAL VAL X . n A 1 50 HIS 50 54 54 HIS HIS X . n A 1 51 LEU 51 55 55 LEU LEU X . n A 1 52 ASN 52 56 56 ASN ASN X . n A 1 53 ASP 53 57 57 ASP ASP X . n A 1 54 PHE 54 58 58 PHE PHE X . n A 1 55 PRO 55 59 59 PRO PRO X . n A 1 56 PRO 56 60 60 PRO PRO X . n A 1 57 ASP 57 61 61 ASP ASP X . n A 1 58 ASP 58 62 62 ASP ASP X . n A 1 59 PRO 59 63 63 PRO PRO X . n A 1 60 HIS 60 64 64 HIS HIS X . n A 1 61 PHE 61 65 65 PHE PHE X . n A 1 62 TYR 62 66 66 TYR TYR X . n A 1 63 THR 63 67 67 THR THR X . n A 1 64 LEU 64 68 68 LEU LEU X . n A 1 65 TRP 65 69 69 TRP TRP X . n A 1 66 ASN 66 70 70 ASN ASN X . n A 1 67 GLU 67 71 71 GLU GLU X . n A 1 68 THR 68 72 72 THR THR X . n A 1 69 ILE 69 73 73 ILE ILE X . n A 1 70 THR 70 74 74 THR THR X . n A 1 71 MET 71 75 75 MET MET X . n A 1 72 LYS 72 76 76 LYS LYS X . n A 1 73 GLN 73 77 77 GLN GLN X . n A 1 74 ALA 74 78 78 ALA ALA X . n A 1 75 GLY 75 79 79 GLY GLY X . n A 1 76 VAL 76 80 80 VAL VAL X . n A 1 77 LYS 77 81 81 LYS LYS X . n A 1 78 VAL 78 82 82 VAL VAL X . n A 1 79 MET 79 83 83 MET MET X . n A 1 80 GLY 80 84 84 GLY GLY X . n A 1 81 MET 81 85 85 MET MET X . n A 1 82 VAL 82 86 86 VAL VAL X . n A 1 83 GLY 83 87 87 GLY GLY X . n A 1 84 GLY 84 88 88 GLY GLY X . n A 1 85 ALA 85 89 89 ALA ALA X . n A 1 86 ALA 86 90 90 ALA ALA X . n A 1 87 PRO 87 91 91 PRO PRO X . n A 1 88 GLY 88 92 92 GLY GLY X . n A 1 89 SER 89 93 93 SER SER X . n A 1 90 PHE 90 94 94 PHE PHE X . n A 1 91 ASN 91 95 95 ASN ASN X . n A 1 92 THR 92 96 96 THR THR X . n A 1 93 GLN 93 97 97 GLN GLN X . n A 1 94 THR 94 98 98 THR THR X . n A 1 95 LEU 95 99 99 LEU LEU X . n A 1 96 ASP 96 100 100 ASP ASP X . n A 1 97 SER 97 101 101 SER SER X . n A 1 98 PRO 98 102 102 PRO PRO X . n A 1 99 ASP 99 103 103 ASP ASP X . n A 1 100 SER 100 104 104 SER SER X . n A 1 101 ALA 101 105 105 ALA ALA X . n A 1 102 THR 102 106 106 THR THR X . n A 1 103 PHE 103 107 107 PHE PHE X . n A 1 104 GLU 104 108 108 GLU GLU X . n A 1 105 HIS 105 109 109 HIS HIS X . n A 1 106 TYR 106 110 110 TYR TYR X . n A 1 107 TYR 107 111 111 TYR TYR X . n A 1 108 GLY 108 112 112 GLY GLY X . n A 1 109 GLN 109 113 113 GLN GLN X . n A 1 110 LEU 110 114 114 LEU LEU X . n A 1 111 ARG 111 115 115 ARG ARG X . n A 1 112 ASP 112 116 116 ASP ASP X . n A 1 113 ALA 113 117 117 ALA ALA X . n A 1 114 ILE 114 118 118 ILE ILE X . n A 1 115 VAL 115 119 119 VAL VAL X . n A 1 116 ASN 116 120 120 ASN ASN X . n A 1 117 PHE 117 121 121 PHE PHE X . n A 1 118 GLN 118 122 122 GLN GLN X . n A 1 119 LEU 119 123 123 LEU LEU X . n A 1 120 GLU 120 124 124 GLU GLU X . n A 1 121 GLY 121 125 125 GLY GLY X . n A 1 122 MET 122 126 126 MET MET X . n A 1 123 ASP 123 127 127 ASP ASP X . n A 1 124 LEU 124 128 128 LEU LEU X . n A 1 125 ASP 125 129 129 ASP ASP X . n A 1 126 VAL 126 130 130 VAL VAL X . n A 1 127 GLU 127 131 131 GLU GLU X . n A 1 128 GLN 128 132 132 GLN GLN X . n A 1 129 PRO 129 133 133 PRO PRO X . n A 1 130 MET 130 134 134 MET MET X . n A 1 131 SER 131 135 135 SER SER X . n A 1 132 GLN 132 136 136 GLN GLN X . n A 1 133 GLN 133 137 137 GLN GLN X . n A 1 134 GLY 134 138 138 GLY GLY X . n A 1 135 ILE 135 139 139 ILE ILE X . n A 1 136 ASP 136 140 140 ASP ASP X . n A 1 137 ARG 137 141 141 ARG ARG X . n A 1 138 LEU 138 142 142 LEU LEU X . n A 1 139 ILE 139 143 143 ILE ILE X . n A 1 140 ALA 140 144 144 ALA ALA X . n A 1 141 ARG 141 145 145 ARG ARG X . n A 1 142 LEU 142 146 146 LEU LEU X . n A 1 143 ARG 143 147 147 ARG ARG X . n A 1 144 ALA 144 148 148 ALA ALA X . n A 1 145 ASP 145 149 149 ASP ASP X . n A 1 146 PHE 146 150 150 PHE PHE X . n A 1 147 GLY 147 151 151 GLY GLY X . n A 1 148 PRO 148 152 152 PRO PRO X . n A 1 149 ASP 149 153 153 ASP ASP X . n A 1 150 PHE 150 154 154 PHE PHE X . n A 1 151 LEU 151 155 155 LEU LEU X . n A 1 152 ILE 152 156 156 ILE ILE X . n A 1 153 THR 153 157 157 THR THR X . n A 1 154 LEU 154 158 158 LEU LEU X . n A 1 155 ALA 155 159 159 ALA ALA X . n A 1 156 PRO 156 160 160 PRO PRO X . n A 1 157 VAL 157 161 161 VAL VAL X . n A 1 158 ALA 158 162 162 ALA ALA X . n A 1 159 SER 159 163 163 SER SER X . n A 1 160 ALA 160 164 164 ALA ALA X . n A 1 161 LEU 161 165 165 LEU LEU X . n A 1 162 GLU 162 166 166 GLU GLU X . n A 1 163 ASP 163 167 167 ASP ASP X . n A 1 164 SER 164 168 168 SER SER X . n A 1 165 SER 165 169 169 SER SER X . n A 1 166 ASN 166 170 170 ASN ASN X . n A 1 167 LEU 167 171 171 LEU LEU X . n A 1 168 SER 168 172 172 SER SER X . n A 1 169 GLY 169 173 173 GLY GLY X . n A 1 170 PHE 170 174 174 PHE PHE X . n A 1 171 SER 171 175 175 SER SER X . n A 1 172 TYR 172 176 176 TYR TYR X . n A 1 173 THR 173 177 177 THR THR X . n A 1 174 ALA 174 178 178 ALA ALA X . n A 1 175 LEU 175 179 179 LEU LEU X . n A 1 176 GLN 176 180 180 GLN GLN X . n A 1 177 GLN 177 181 181 GLN GLN X . n A 1 178 THR 178 182 182 THR THR X . n A 1 179 GLN 179 183 183 GLN GLN X . n A 1 180 GLY 180 184 184 GLY GLY X . n A 1 181 ASN 181 185 185 ASN ASN X . n A 1 182 ASP 182 186 186 ASP ASP X . n A 1 183 ILE 183 187 187 ILE ILE X . n A 1 184 ASP 184 188 188 ASP ASP X . n A 1 185 TRP 185 189 189 TRP TRP X . n A 1 186 TYR 186 190 190 TYR TYR X . n A 1 187 ASN 187 191 191 ASN ASN X . n A 1 188 THR 188 192 192 THR THR X . n A 1 189 GLN 189 193 193 GLN GLN X . n A 1 190 PHE 190 194 194 PHE PHE X . n A 1 191 TYR 191 195 195 TYR TYR X . n A 1 192 SER 192 196 196 SER SER X . n A 1 193 GLY 193 197 197 GLY GLY X . n A 1 194 PHE 194 198 198 PHE PHE X . n A 1 195 GLY 195 199 199 GLY GLY X . n A 1 196 SER 196 200 200 SER SER X . n A 1 197 MET 197 201 201 MET MET X . n A 1 198 ALA 198 202 202 ALA ALA X . n A 1 199 ASP 199 203 203 ASP ASP X . n A 1 200 THR 200 204 204 THR THR X . n A 1 201 SER 201 205 205 SER SER X . n A 1 202 ASP 202 206 206 ASP ASP X . n A 1 203 TYR 203 207 207 TYR TYR X . n A 1 204 ASP 204 208 208 ASP ASP X . n A 1 205 ARG 205 209 209 ARG ARG X . n A 1 206 ILE 206 210 210 ILE ILE X . n A 1 207 VAL 207 211 211 VAL VAL X . n A 1 208 ALA 208 212 212 ALA ALA X . n A 1 209 ASN 209 213 213 ASN ASN X . n A 1 210 GLY 210 214 214 GLY GLY X . n A 1 211 PHE 211 215 215 PHE PHE X . n A 1 212 ALA 212 216 216 ALA ALA X . n A 1 213 PRO 213 217 217 PRO PRO X . n A 1 214 ALA 214 218 218 ALA ALA X . n A 1 215 LYS 215 219 219 LYS LYS X . n A 1 216 VAL 216 220 220 VAL VAL X . n A 1 217 VAL 217 221 221 VAL VAL X . n A 1 218 ALA 218 222 222 ALA ALA X . n A 1 219 GLY 219 223 223 GLY GLY X . n A 1 220 GLN 220 224 224 GLN GLN X . n A 1 221 LEU 221 225 225 LEU LEU X . n A 1 222 THR 222 226 226 THR THR X . n A 1 223 THR 223 227 227 THR THR X . n A 1 224 PRO 224 228 228 PRO PRO X . n A 1 225 GLU 225 229 229 GLU GLU X . n A 1 226 GLY 226 230 230 GLY GLY X . n A 1 227 ALA 227 231 231 ALA ALA X . n A 1 228 GLY 228 232 232 GLY GLY X . n A 1 229 TRP 229 233 233 TRP TRP X . n A 1 230 ILE 230 234 234 ILE ILE X . n A 1 231 PRO 231 235 235 PRO PRO X . n A 1 232 THR 232 236 236 THR THR X . n A 1 233 SER 233 237 237 SER SER X . n A 1 234 SER 234 238 238 SER SER X . n A 1 235 LEU 235 239 239 LEU LEU X . n A 1 236 ASN 236 240 240 ASN ASN X . n A 1 237 ASN 237 241 241 ASN ASN X . n A 1 238 THR 238 242 242 THR THR X . n A 1 239 ILE 239 243 243 ILE ILE X . n A 1 240 VAL 240 244 244 VAL VAL X . n A 1 241 SER 241 245 245 SER SER X . n A 1 242 LEU 242 246 246 LEU LEU X . n A 1 243 VAL 243 247 247 VAL VAL X . n A 1 244 SER 244 248 248 SER SER X . n A 1 245 GLU 245 249 249 GLU GLU X . n A 1 246 TYR 246 250 250 TYR TYR X . n A 1 247 GLY 247 251 251 GLY GLY X . n A 1 248 GLN 248 252 252 GLN GLN X . n A 1 249 ILE 249 253 253 ILE ILE X . n A 1 250 GLY 250 254 254 GLY GLY X . n A 1 251 GLY 251 255 255 GLY GLY X . n A 1 252 VAL 252 256 256 VAL VAL X . n A 1 253 MET 253 257 257 MET MET X . n A 1 254 GLY 254 258 258 GLY GLY X . n A 1 255 TRP 255 259 259 TRP TRP X . n A 1 256 GLU 256 260 260 GLU GLU X . n A 1 257 TYR 257 261 261 TYR TYR X . n A 1 258 PHE 258 262 262 PHE PHE X . n A 1 259 ASN 259 263 263 ASN ASN X . n A 1 260 SER 260 264 264 SER SER X . n A 1 261 LEU 261 265 265 LEU LEU X . n A 1 262 PRO 262 266 266 PRO PRO X . n A 1 263 GLY 263 267 267 GLY GLY X . n A 1 264 GLY 264 268 268 GLY GLY X . n A 1 265 THR 265 269 269 THR THR X . n A 1 266 ALA 266 270 270 ALA ALA X . n A 1 267 GLU 267 271 271 GLU GLU X . n A 1 268 PRO 268 272 272 PRO PRO X . n A 1 269 TRP 269 273 273 TRP TRP X . n A 1 270 GLU 270 274 274 GLU GLU X . n A 1 271 TRP 271 275 275 TRP TRP X . n A 1 272 ALA 272 276 276 ALA ALA X . n A 1 273 GLN 273 277 277 GLN GLN X . n A 1 274 ILE 274 278 278 ILE ILE X . n A 1 275 VAL 275 279 279 VAL VAL X . n A 1 276 THR 276 280 280 THR THR X . n A 1 277 VAL 277 281 281 VAL VAL X . n A 1 278 ILE 278 282 282 ILE ILE X . n A 1 279 LEU 279 283 283 LEU LEU X . n A 1 280 ARG 280 284 284 ARG ARG X . n A 1 281 PRO 281 285 285 PRO PRO X . n A 1 282 GLY 282 286 286 GLY GLY X . n A 1 283 LEU 283 287 287 LEU LEU X . 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 1 301 301 NAG NAG X . C 2 NAG 1 302 302 NAG NAG X . D 3 ACT 1 1288 1288 ACT ACT X . E 3 ACT 1 1289 1289 ACT ACT X . F 3 ACT 1 1290 1290 ACT ACT X . G 4 ZN 1 1291 1291 ZN ZN X . H 4 ZN 1 1292 1292 ZN ZN X . I 4 ZN 1 1293 1293 ZN ZN X . J 4 ZN 1 1294 1294 ZN ZN X . K 4 ZN 1 1295 1295 ZN ZN X . L 4 ZN 1 1296 1296 ZN ZN X . M 4 ZN 1 1297 1297 ZN ZN X . N 4 ZN 1 1298 1298 ZN ZN X . O 5 HOH 1 2001 2001 HOH HOH X . O 5 HOH 2 2002 2002 HOH HOH X . O 5 HOH 3 2003 2003 HOH HOH X . O 5 HOH 4 2004 2004 HOH HOH X . O 5 HOH 5 2005 2005 HOH HOH X . O 5 HOH 6 2006 2006 HOH HOH X . O 5 HOH 7 2007 2007 HOH HOH X . O 5 HOH 8 2008 2008 HOH HOH X . O 5 HOH 9 2009 2009 HOH HOH X . O 5 HOH 10 2010 2010 HOH HOH X . O 5 HOH 11 2011 2011 HOH HOH X . O 5 HOH 12 2012 2012 HOH HOH X . O 5 HOH 13 2013 2013 HOH HOH X . O 5 HOH 14 2014 2014 HOH HOH X . O 5 HOH 15 2015 2015 HOH HOH X . O 5 HOH 16 2016 2016 HOH HOH X . O 5 HOH 17 2017 2017 HOH HOH X . O 5 HOH 18 2018 2018 HOH HOH X . O 5 HOH 19 2019 2019 HOH HOH X . O 5 HOH 20 2020 2020 HOH HOH X . O 5 HOH 21 2021 2021 HOH HOH X . O 5 HOH 22 2022 2022 HOH HOH X . O 5 HOH 23 2023 2023 HOH HOH X . O 5 HOH 24 2024 2024 HOH HOH X . O 5 HOH 25 2025 2025 HOH HOH X . O 5 HOH 26 2026 2026 HOH HOH X . O 5 HOH 27 2027 2027 HOH HOH X . O 5 HOH 28 2028 2028 HOH HOH X . O 5 HOH 29 2029 2029 HOH HOH X . O 5 HOH 30 2030 2030 HOH HOH X . O 5 HOH 31 2031 2031 HOH HOH X . O 5 HOH 32 2032 2032 HOH HOH X . O 5 HOH 33 2033 2033 HOH HOH X . O 5 HOH 34 2034 2034 HOH HOH X . O 5 HOH 35 2035 2035 HOH HOH X . O 5 HOH 36 2036 2036 HOH HOH X . O 5 HOH 37 2037 2037 HOH HOH X . O 5 HOH 38 2038 2038 HOH HOH X . O 5 HOH 39 2039 2039 HOH HOH X . O 5 HOH 40 2040 2040 HOH HOH X . O 5 HOH 41 2041 2041 HOH HOH X . O 5 HOH 42 2042 2042 HOH HOH X . O 5 HOH 43 2043 2043 HOH HOH X . O 5 HOH 44 2044 2044 HOH HOH X . O 5 HOH 45 2045 2045 HOH HOH X . O 5 HOH 46 2046 2046 HOH HOH X . O 5 HOH 47 2047 2047 HOH HOH X . O 5 HOH 48 2048 2048 HOH HOH X . O 5 HOH 49 2049 2049 HOH HOH X . O 5 HOH 50 2050 2050 HOH HOH X . O 5 HOH 51 2051 2051 HOH HOH X . O 5 HOH 52 2052 2052 HOH HOH X . O 5 HOH 53 2053 2053 HOH HOH X . O 5 HOH 54 2054 2054 HOH HOH X . O 5 HOH 55 2055 2055 HOH HOH X . O 5 HOH 56 2056 2056 HOH HOH X . O 5 HOH 57 2057 2057 HOH HOH X . O 5 HOH 58 2058 2058 HOH HOH X . O 5 HOH 59 2059 2059 HOH HOH X . O 5 HOH 60 2060 2060 HOH HOH X . O 5 HOH 61 2061 2061 HOH HOH X . O 5 HOH 62 2062 2062 HOH HOH X . O 5 HOH 63 2063 2063 HOH HOH X . O 5 HOH 64 2064 2064 HOH HOH X . O 5 HOH 65 2065 2065 HOH HOH X . O 5 HOH 66 2066 2066 HOH HOH X . O 5 HOH 67 2067 2067 HOH HOH X . O 5 HOH 68 2068 2068 HOH HOH X . O 5 HOH 69 2069 2069 HOH HOH X . O 5 HOH 70 2070 2070 HOH HOH X . O 5 HOH 71 2071 2071 HOH HOH X . O 5 HOH 72 2072 2072 HOH HOH X . O 5 HOH 73 2073 2073 HOH HOH X . O 5 HOH 74 2074 2074 HOH HOH X . O 5 HOH 75 2075 2075 HOH HOH X . O 5 HOH 76 2076 2076 HOH HOH X . O 5 HOH 77 2077 2077 HOH HOH X . O 5 HOH 78 2078 2078 HOH HOH X . O 5 HOH 79 2079 2079 HOH HOH X . O 5 HOH 80 2080 2080 HOH HOH X . O 5 HOH 81 2081 2081 HOH HOH X . O 5 HOH 82 2082 2082 HOH HOH X . O 5 HOH 83 2083 2083 HOH HOH X . O 5 HOH 84 2084 2084 HOH HOH X . O 5 HOH 85 2085 2085 HOH HOH X . O 5 HOH 86 2086 2086 HOH HOH X . O 5 HOH 87 2087 2087 HOH HOH X . O 5 HOH 88 2088 2088 HOH HOH X . O 5 HOH 89 2089 2089 HOH HOH X . O 5 HOH 90 2090 2090 HOH HOH X . O 5 HOH 91 2091 2091 HOH HOH X . O 5 HOH 92 2092 2092 HOH HOH X . O 5 HOH 93 2093 2093 HOH HOH X . O 5 HOH 94 2094 2094 HOH HOH X . O 5 HOH 95 2095 2095 HOH HOH X . O 5 HOH 96 2096 2096 HOH HOH X . O 5 HOH 97 2097 2097 HOH HOH X . O 5 HOH 98 2098 2098 HOH HOH X . O 5 HOH 99 2099 2099 HOH HOH X . O 5 HOH 100 2100 2100 HOH HOH X . O 5 HOH 101 2101 2101 HOH HOH X . O 5 HOH 102 2102 2102 HOH HOH X . O 5 HOH 103 2103 2103 HOH HOH X . O 5 HOH 104 2104 2104 HOH HOH X . O 5 HOH 105 2105 2105 HOH HOH X . O 5 HOH 106 2106 2106 HOH HOH X . O 5 HOH 107 2107 2107 HOH HOH X . O 5 HOH 108 2108 2108 HOH HOH X . O 5 HOH 109 2109 2109 HOH HOH X . O 5 HOH 110 2110 2110 HOH HOH X . O 5 HOH 111 2111 2111 HOH HOH X . O 5 HOH 112 2112 2112 HOH HOH X . O 5 HOH 113 2113 2113 HOH HOH X . O 5 HOH 114 2114 2114 HOH HOH X . O 5 HOH 115 2115 2115 HOH HOH X . O 5 HOH 116 2116 2116 HOH HOH X . O 5 HOH 117 2117 2117 HOH HOH X . O 5 HOH 118 2118 2118 HOH HOH X . O 5 HOH 119 2119 2119 HOH HOH X . O 5 HOH 120 2120 2120 HOH HOH X . O 5 HOH 121 2121 2121 HOH HOH X . O 5 HOH 122 2122 2122 HOH HOH X . O 5 HOH 123 2123 2123 HOH HOH X . O 5 HOH 124 2124 2124 HOH HOH X . O 5 HOH 125 2125 2125 HOH HOH X . O 5 HOH 126 2126 2126 HOH HOH X . O 5 HOH 127 2127 2127 HOH HOH X . O 5 HOH 128 2128 2128 HOH HOH X . O 5 HOH 129 2129 2129 HOH HOH X . O 5 HOH 130 2130 2130 HOH HOH X . O 5 HOH 131 2131 2131 HOH HOH X . O 5 HOH 132 2132 2132 HOH HOH X . O 5 HOH 133 2133 2133 HOH HOH X . O 5 HOH 134 2134 2134 HOH HOH X . O 5 HOH 135 2135 2135 HOH HOH X . O 5 HOH 136 2136 2136 HOH HOH X . O 5 HOH 137 2137 2137 HOH HOH X . O 5 HOH 138 2138 2138 HOH HOH X . O 5 HOH 139 2139 2139 HOH HOH X . O 5 HOH 140 2140 2140 HOH HOH X . O 5 HOH 141 2141 2141 HOH HOH X . O 5 HOH 142 2142 2142 HOH HOH X . O 5 HOH 143 2143 2143 HOH HOH X . O 5 HOH 144 2144 2144 HOH HOH X . O 5 HOH 145 2145 2145 HOH HOH X . O 5 HOH 146 2146 2146 HOH HOH X . O 5 HOH 147 2147 2147 HOH HOH X . O 5 HOH 148 2148 2148 HOH HOH X . O 5 HOH 149 2149 2149 HOH HOH X . O 5 HOH 150 2150 2150 HOH HOH X . O 5 HOH 151 2151 2151 HOH HOH X . O 5 HOH 152 2152 2152 HOH HOH X . O 5 HOH 153 2153 2153 HOH HOH X . O 5 HOH 154 2154 2154 HOH HOH X . O 5 HOH 155 2155 2155 HOH HOH X . O 5 HOH 156 2156 2156 HOH HOH X . O 5 HOH 157 2157 2157 HOH HOH X . O 5 HOH 158 2158 2158 HOH HOH X . O 5 HOH 159 2159 2159 HOH HOH X . O 5 HOH 160 2160 2160 HOH HOH X . O 5 HOH 161 2161 2161 HOH HOH X . O 5 HOH 162 2162 2162 HOH HOH X . O 5 HOH 163 2163 2163 HOH HOH X . O 5 HOH 164 2164 2164 HOH HOH X . O 5 HOH 165 2165 2165 HOH HOH X . O 5 HOH 166 2166 2166 HOH HOH X . O 5 HOH 167 2167 2167 HOH HOH X . O 5 HOH 168 2168 2168 HOH HOH X . O 5 HOH 169 2169 2169 HOH HOH X . O 5 HOH 170 2170 2170 HOH HOH X . O 5 HOH 171 2171 2171 HOH HOH X . O 5 HOH 172 2172 2172 HOH HOH X . O 5 HOH 173 2173 2173 HOH HOH X . O 5 HOH 174 2174 2174 HOH HOH X . O 5 HOH 175 2175 2175 HOH HOH X . O 5 HOH 176 2176 2176 HOH HOH X . O 5 HOH 177 2177 2177 HOH HOH X . O 5 HOH 178 2178 2178 HOH HOH X . O 5 HOH 179 2179 2179 HOH HOH X . O 5 HOH 180 2180 2180 HOH HOH X . O 5 HOH 181 2181 2181 HOH HOH X . O 5 HOH 182 2182 2182 HOH HOH X . O 5 HOH 183 2183 2183 HOH HOH X . O 5 HOH 184 2184 2184 HOH HOH X . O 5 HOH 185 2185 2185 HOH HOH X . O 5 HOH 186 2186 2186 HOH HOH X . O 5 HOH 187 2187 2187 HOH HOH X . O 5 HOH 188 2188 2188 HOH HOH X . O 5 HOH 189 2189 2189 HOH HOH X . O 5 HOH 190 2190 2190 HOH HOH X . O 5 HOH 191 2191 2191 HOH HOH X . O 5 HOH 192 2192 2192 HOH HOH X . O 5 HOH 193 2193 2193 HOH HOH X . O 5 HOH 194 2194 2194 HOH HOH X . O 5 HOH 195 2195 2195 HOH HOH X . O 5 HOH 196 2196 2196 HOH HOH X . O 5 HOH 197 2197 2197 HOH HOH X . O 5 HOH 198 2198 2198 HOH HOH X . O 5 HOH 199 2199 2199 HOH HOH X . O 5 HOH 200 2200 2200 HOH HOH X . O 5 HOH 201 2201 2201 HOH HOH X . O 5 HOH 202 2202 2202 HOH HOH X . O 5 HOH 203 2203 2203 HOH HOH X . O 5 HOH 204 2204 2204 HOH HOH X . O 5 HOH 205 2205 2205 HOH HOH X . O 5 HOH 206 2206 2206 HOH HOH X . O 5 HOH 207 2207 2207 HOH HOH X . O 5 HOH 208 2208 2208 HOH HOH X . O 5 HOH 209 2209 2209 HOH HOH X . O 5 HOH 210 2210 2210 HOH HOH X . O 5 HOH 211 2211 2211 HOH HOH X . O 5 HOH 212 2212 2212 HOH HOH X . O 5 HOH 213 2213 2213 HOH HOH X . O 5 HOH 214 2214 2214 HOH HOH X . O 5 HOH 215 2215 2215 HOH HOH X . O 5 HOH 216 2216 2216 HOH HOH X . O 5 HOH 217 2217 2217 HOH HOH X . O 5 HOH 218 2218 2218 HOH HOH X . O 5 HOH 219 2219 2219 HOH HOH X . O 5 HOH 220 2220 2220 HOH HOH X . O 5 HOH 221 2221 2221 HOH HOH X . O 5 HOH 222 2222 2222 HOH HOH X . O 5 HOH 223 2223 2223 HOH HOH X . O 5 HOH 224 2224 2224 HOH HOH X . O 5 HOH 225 2225 2225 HOH HOH X . O 5 HOH 226 2226 2226 HOH HOH X . O 5 HOH 227 2227 2227 HOH HOH X . O 5 HOH 228 2228 2228 HOH HOH X . O 5 HOH 229 2229 2229 HOH HOH X . O 5 HOH 230 2230 2230 HOH HOH X . O 5 HOH 231 2231 2231 HOH HOH X . O 5 HOH 232 2232 2232 HOH HOH X . O 5 HOH 233 2233 2233 HOH HOH X . O 5 HOH 234 2234 2234 HOH HOH X . O 5 HOH 235 2235 2235 HOH HOH X . O 5 HOH 236 2236 2236 HOH HOH X . O 5 HOH 237 2237 2237 HOH HOH X . O 5 HOH 238 2238 2238 HOH HOH X . O 5 HOH 239 2239 2239 HOH HOH X . O 5 HOH 240 2240 2240 HOH HOH X . O 5 HOH 241 2241 2241 HOH HOH X . O 5 HOH 242 2242 2242 HOH HOH X . O 5 HOH 243 2243 2243 HOH HOH X . O 5 HOH 244 2244 2244 HOH HOH X . O 5 HOH 245 2245 2245 HOH HOH X . O 5 HOH 246 2246 2246 HOH HOH X . O 5 HOH 247 2247 2247 HOH HOH X . O 5 HOH 248 2248 2248 HOH HOH X . O 5 HOH 249 2249 2249 HOH HOH X . O 5 HOH 250 2250 2250 HOH HOH X . O 5 HOH 251 2251 2251 HOH HOH X . O 5 HOH 252 2252 2252 HOH HOH X . O 5 HOH 253 2253 2253 HOH HOH X . O 5 HOH 254 2254 2254 HOH HOH X . O 5 HOH 255 2255 2255 HOH HOH X . O 5 HOH 256 2256 2256 HOH HOH X . O 5 HOH 257 2257 2257 HOH HOH X . O 5 HOH 258 2258 2258 HOH HOH X . O 5 HOH 259 2259 2259 HOH HOH X . O 5 HOH 260 2260 2260 HOH HOH X . O 5 HOH 261 2261 2261 HOH HOH X . O 5 HOH 262 2262 2262 HOH HOH X . O 5 HOH 263 2263 2263 HOH HOH X . O 5 HOH 264 2264 2264 HOH HOH X . O 5 HOH 265 2265 2265 HOH HOH X . O 5 HOH 266 2266 2266 HOH HOH X . O 5 HOH 267 2267 2267 HOH HOH X . O 5 HOH 268 2268 2268 HOH HOH X . O 5 HOH 269 2269 2269 HOH HOH X . O 5 HOH 270 2270 2270 HOH HOH X . O 5 HOH 271 2271 2271 HOH HOH X . O 5 HOH 272 2272 2272 HOH HOH X . O 5 HOH 273 2273 2273 HOH HOH X . O 5 HOH 274 2274 2274 HOH HOH X . O 5 HOH 275 2275 2275 HOH HOH X . O 5 HOH 276 2276 2276 HOH HOH X . O 5 HOH 277 2277 2277 HOH HOH X . O 5 HOH 278 2278 2278 HOH HOH X . O 5 HOH 279 2279 2279 HOH HOH X . O 5 HOH 280 2280 2280 HOH HOH X . O 5 HOH 281 2281 2281 HOH HOH X . O 5 HOH 282 2282 2282 HOH HOH X . O 5 HOH 283 2283 2283 HOH HOH X . O 5 HOH 284 2284 2284 HOH HOH X . O 5 HOH 285 2285 2285 HOH HOH X . O 5 HOH 286 2286 2286 HOH HOH X . O 5 HOH 287 2287 2287 HOH HOH X . O 5 HOH 288 2288 2288 HOH HOH X . O 5 HOH 289 2289 2289 HOH HOH X . O 5 HOH 290 2290 2290 HOH HOH X . O 5 HOH 291 2291 2291 HOH HOH X . O 5 HOH 292 2292 2292 HOH HOH X . O 5 HOH 293 2293 2293 HOH HOH X . O 5 HOH 294 2294 2294 HOH HOH X . O 5 HOH 295 2295 2295 HOH HOH X . O 5 HOH 296 2296 2296 HOH HOH X . O 5 HOH 297 2297 2297 HOH HOH X . O 5 HOH 298 2298 2298 HOH HOH X . O 5 HOH 299 2299 2299 HOH HOH X . O 5 HOH 300 2300 2300 HOH HOH X . O 5 HOH 301 2301 2301 HOH HOH X . O 5 HOH 302 2302 2302 HOH HOH X . O 5 HOH 303 2303 2303 HOH HOH X . O 5 HOH 304 2304 2304 HOH HOH X . O 5 HOH 305 2305 2305 HOH HOH X . O 5 HOH 306 2306 2306 HOH HOH X . O 5 HOH 307 2307 2307 HOH HOH X . O 5 HOH 308 2308 2308 HOH HOH X . O 5 HOH 309 2309 2309 HOH HOH X . O 5 HOH 310 2310 2310 HOH HOH X . O 5 HOH 311 2311 2311 HOH HOH X . O 5 HOH 312 2312 2312 HOH HOH X . O 5 HOH 313 2313 2313 HOH HOH X . O 5 HOH 314 2314 2314 HOH HOH X . O 5 HOH 315 2315 2315 HOH HOH X . O 5 HOH 316 2316 2316 HOH HOH X . O 5 HOH 317 2317 2317 HOH HOH X . O 5 HOH 318 2318 2318 HOH HOH X . O 5 HOH 319 2319 2319 HOH HOH X . O 5 HOH 320 2320 2320 HOH HOH X . O 5 HOH 321 2321 2321 HOH HOH X . O 5 HOH 322 2322 2322 HOH HOH X . O 5 HOH 323 2323 2323 HOH HOH X . O 5 HOH 324 2324 2324 HOH HOH X . O 5 HOH 325 2325 2325 HOH HOH X . O 5 HOH 326 2326 2326 HOH HOH X . O 5 HOH 327 2327 2327 HOH HOH X . O 5 HOH 328 2328 2328 HOH HOH X . O 5 HOH 329 2329 2329 HOH HOH X . O 5 HOH 330 2330 2330 HOH HOH X . O 5 HOH 331 2331 2331 HOH HOH X . O 5 HOH 332 2332 2332 HOH HOH X . O 5 HOH 333 2333 2333 HOH HOH X . O 5 HOH 334 2334 2334 HOH HOH X . O 5 HOH 335 2335 2335 HOH HOH X . O 5 HOH 336 2336 2336 HOH HOH X . O 5 HOH 337 2337 2337 HOH HOH X . O 5 HOH 338 2338 2338 HOH HOH X . O 5 HOH 339 2339 2339 HOH HOH X . O 5 HOH 340 2340 2340 HOH HOH X . O 5 HOH 341 2341 2341 HOH HOH X . O 5 HOH 342 2342 2342 HOH HOH X . O 5 HOH 343 2343 2343 HOH HOH X . O 5 HOH 344 2344 2344 HOH HOH X . O 5 HOH 345 2345 2345 HOH HOH X . O 5 HOH 346 2346 2346 HOH HOH X . O 5 HOH 347 2347 2347 HOH HOH X . O 5 HOH 348 2348 2348 HOH HOH X . O 5 HOH 349 2349 2349 HOH HOH X . O 5 HOH 350 2350 2350 HOH HOH X . O 5 HOH 351 2351 2351 HOH HOH X . O 5 HOH 352 2352 2352 HOH HOH X . O 5 HOH 353 2353 2353 HOH HOH X . O 5 HOH 354 2354 2354 HOH HOH X . O 5 HOH 355 2355 2355 HOH HOH X . O 5 HOH 356 2356 2356 HOH HOH X . O 5 HOH 357 2357 2357 HOH HOH X . O 5 HOH 358 2358 2358 HOH HOH X . O 5 HOH 359 2359 2359 HOH HOH X . O 5 HOH 360 2360 2360 HOH HOH X . O 5 HOH 361 2361 2361 HOH HOH X . O 5 HOH 362 2362 2362 HOH HOH X . O 5 HOH 363 2363 2363 HOH HOH X . O 5 HOH 364 2364 2364 HOH HOH X . O 5 HOH 365 2365 2365 HOH HOH X . O 5 HOH 366 2366 2366 HOH HOH X . O 5 HOH 367 2367 2367 HOH HOH X . O 5 HOH 368 2368 2368 HOH HOH X . O 5 HOH 369 2369 2369 HOH HOH X . O 5 HOH 370 2370 2370 HOH HOH X . O 5 HOH 371 2371 2371 HOH HOH X . O 5 HOH 372 2372 2372 HOH HOH X . O 5 HOH 373 2373 2373 HOH HOH X . O 5 HOH 374 2374 2374 HOH HOH X . O 5 HOH 375 2375 2375 HOH HOH X . O 5 HOH 376 2376 2376 HOH HOH X . O 5 HOH 377 2377 2377 HOH HOH X . O 5 HOH 378 2378 2378 HOH HOH X . O 5 HOH 379 2379 2379 HOH HOH X . O 5 HOH 380 2380 2380 HOH HOH X . O 5 HOH 381 2381 2381 HOH HOH X . O 5 HOH 382 2382 2382 HOH HOH X . O 5 HOH 383 2383 2383 HOH HOH X . O 5 HOH 384 2384 2384 HOH HOH X . O 5 HOH 385 2385 2385 HOH HOH X . O 5 HOH 386 2386 2386 HOH HOH X . O 5 HOH 387 2387 2387 HOH HOH X . O 5 HOH 388 2388 2388 HOH HOH X . O 5 HOH 389 2389 2389 HOH HOH X . O 5 HOH 390 2390 2390 HOH HOH X . O 5 HOH 391 2391 2391 HOH HOH X . O 5 HOH 392 2392 2392 HOH HOH X . O 5 HOH 393 2393 2393 HOH HOH X . O 5 HOH 394 2394 2394 HOH HOH X . O 5 HOH 395 2395 2395 HOH HOH X . O 5 HOH 396 2396 2396 HOH HOH X . O 5 HOH 397 2397 2397 HOH HOH X . O 5 HOH 398 2398 2398 HOH HOH X . O 5 HOH 399 2399 2399 HOH HOH X . O 5 HOH 400 2400 2400 HOH HOH X . O 5 HOH 401 2401 2401 HOH HOH X . O 5 HOH 402 2402 2402 HOH HOH X . O 5 HOH 403 2403 2403 HOH HOH X . O 5 HOH 404 2404 2404 HOH HOH X . O 5 HOH 405 2405 2405 HOH HOH X . O 5 HOH 406 2406 2406 HOH HOH X . O 5 HOH 407 2407 2407 HOH HOH X . O 5 HOH 408 2408 2408 HOH HOH X . O 5 HOH 409 2409 2409 HOH HOH X . O 5 HOH 410 2410 2410 HOH HOH X . O 5 HOH 411 2411 2411 HOH HOH X . O 5 HOH 412 2412 2412 HOH HOH X . O 5 HOH 413 2413 2413 HOH HOH X . O 5 HOH 414 2414 2414 HOH HOH X . O 5 HOH 415 2415 2415 HOH HOH X . O 5 HOH 416 2416 2416 HOH HOH X . O 5 HOH 417 2417 2417 HOH HOH X . O 5 HOH 418 2418 2418 HOH HOH X . O 5 HOH 419 2419 2419 HOH HOH X . O 5 HOH 420 2420 2420 HOH HOH X . O 5 HOH 421 2421 2421 HOH HOH X . O 5 HOH 422 2422 2422 HOH HOH X . O 5 HOH 423 2423 2423 HOH HOH X . O 5 HOH 424 2424 2424 HOH HOH X . O 5 HOH 425 2425 2425 HOH HOH X . O 5 HOH 426 2426 2426 HOH HOH X . O 5 HOH 427 2427 2427 HOH HOH X . O 5 HOH 428 2428 2428 HOH HOH X . O 5 HOH 429 2429 2429 HOH HOH X . O 5 HOH 430 2430 2430 HOH HOH X . O 5 HOH 431 2431 2431 HOH HOH X . O 5 HOH 432 2432 2432 HOH HOH X . O 5 HOH 433 2433 2433 HOH HOH X . O 5 HOH 434 2434 2434 HOH HOH X . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 66 X ASN 70 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 236 X ASN 240 ? ASN 'GLYCOSYLATION SITE' # _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,I,J,K,L,M,N,O # _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 OXT ? D ACT . ? X ACT 1288 ? 1_555 ZN ? J ZN . ? X ZN 1294 ? 1_555 O ? D ACT . ? X ACT 1288 ? 1_555 52.1 ? 2 OXT ? D ACT . ? X ACT 1288 ? 1_555 ZN ? J ZN . ? X ZN 1294 ? 1_555 O ? O HOH . ? X HOH 2250 ? 1_555 163.6 ? 3 O ? D ACT . ? X ACT 1288 ? 1_555 ZN ? J ZN . ? X ZN 1294 ? 1_555 O ? O HOH . ? X HOH 2250 ? 1_555 143.9 ? 4 OXT ? D ACT . ? X ACT 1288 ? 1_555 ZN ? J ZN . ? X ZN 1294 ? 1_555 OE1 ? A GLN 189 ? X GLN 193 ? 1_555 102.0 ? 5 O ? D ACT . ? X ACT 1288 ? 1_555 ZN ? J ZN . ? X ZN 1294 ? 1_555 OE1 ? A GLN 189 ? X GLN 193 ? 1_555 74.7 ? 6 O ? O HOH . ? X HOH 2250 ? 1_555 ZN ? J ZN . ? X ZN 1294 ? 1_555 OE1 ? A GLN 189 ? X GLN 193 ? 1_555 84.1 ? 7 OXT ? D ACT . ? X ACT 1288 ? 1_555 ZN ? J ZN . ? X ZN 1294 ? 1_555 OE2 ? A GLU 127 ? X GLU 131 ? 1_555 78.5 ? 8 O ? D ACT . ? X ACT 1288 ? 1_555 ZN ? J ZN . ? X ZN 1294 ? 1_555 OE2 ? A GLU 127 ? X GLU 131 ? 1_555 127.2 ? 9 O ? O HOH . ? X HOH 2250 ? 1_555 ZN ? J ZN . ? X ZN 1294 ? 1_555 OE2 ? A GLU 127 ? X GLU 131 ? 1_555 87.3 ? 10 OE1 ? A GLN 189 ? X GLN 193 ? 1_555 ZN ? J ZN . ? X ZN 1294 ? 1_555 OE2 ? A GLU 127 ? X GLU 131 ? 1_555 141.4 ? 11 OXT ? D ACT . ? X ACT 1288 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 OE2 ? A GLU 127 ? X GLU 131 ? 1_555 86.9 ? 12 OXT ? D ACT . ? X ACT 1288 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 ZN ? J ZN . ? X ZN 1294 ? 1_555 59.2 ? 13 OE2 ? A GLU 127 ? X GLU 131 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 ZN ? J ZN . ? X ZN 1294 ? 1_555 82.4 ? 14 OXT ? D ACT . ? X ACT 1288 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2251 ? 1_555 88.1 ? 15 OE2 ? A GLU 127 ? X GLU 131 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2251 ? 1_555 94.9 ? 16 ZN ? J ZN . ? X ZN 1294 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2251 ? 1_555 31.1 ? 17 OXT ? D ACT . ? X ACT 1288 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2393 ? 1_555 94.7 ? 18 OE2 ? A GLU 127 ? X GLU 131 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2393 ? 1_555 178.2 ? 19 ZN ? J ZN . ? X ZN 1294 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2393 ? 1_555 99.2 ? 20 O ? O HOH . ? X HOH 2251 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2393 ? 1_555 86.1 ? 21 OXT ? D ACT . ? X ACT 1288 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2242 ? 1_555 83.7 ? 22 OE2 ? A GLU 127 ? X GLU 131 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2242 ? 1_555 92.8 ? 23 ZN ? J ZN . ? X ZN 1294 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2242 ? 1_555 142.7 ? 24 O ? O HOH . ? X HOH 2251 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2242 ? 1_555 168.5 ? 25 O ? O HOH . ? X HOH 2393 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2242 ? 1_555 86.5 ? 26 OXT ? D ACT . ? X ACT 1288 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2249 ? 1_555 164.4 ? 27 OE2 ? A GLU 127 ? X GLU 131 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2249 ? 1_555 89.4 ? 28 ZN ? J ZN . ? X ZN 1294 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2249 ? 1_555 105.3 ? 29 O ? O HOH . ? X HOH 2251 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2249 ? 1_555 77.1 ? 30 O ? O HOH . ? X HOH 2393 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2249 ? 1_555 89.3 ? 31 O ? O HOH . ? X HOH 2242 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2249 ? 1_555 111.6 ? 32 OXT ? D ACT . ? X ACT 1288 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2248 ? 1_555 171.5 ? 33 OE2 ? A GLU 127 ? X GLU 131 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2248 ? 1_555 91.9 ? 34 ZN ? J ZN . ? X ZN 1294 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2248 ? 1_555 129.0 ? 35 O ? O HOH . ? X HOH 2251 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2248 ? 1_555 100.3 ? 36 O ? O HOH . ? X HOH 2393 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2248 ? 1_555 86.5 ? 37 O ? O HOH . ? X HOH 2242 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2248 ? 1_555 88.0 ? 38 O ? O HOH . ? X HOH 2249 ? 1_555 ZN ? G ZN . ? X ZN 1291 ? 1_555 O ? O HOH . ? X HOH 2248 ? 1_555 23.7 ? 39 OXT ? E ACT . ? X ACT 1289 ? 1_555 ZN ? M ZN . ? X ZN 1297 ? 1_555 OD1 ? A ASP 202 ? X ASP 206 ? 1_655 87.3 ? 40 OXT ? E ACT . ? X ACT 1289 ? 1_555 ZN ? M ZN . ? X ZN 1297 ? 1_555 OD2 ? A ASP 202 ? X ASP 206 ? 1_655 141.2 ? 41 OD1 ? A ASP 202 ? X ASP 206 ? 1_655 ZN ? M ZN . ? X ZN 1297 ? 1_555 OD2 ? A ASP 202 ? X ASP 206 ? 1_655 55.4 ? 42 OXT ? E ACT . ? X ACT 1289 ? 1_555 ZN ? M ZN . ? X ZN 1297 ? 1_555 OD2 ? A ASP 149 ? X ASP 153 ? 1_555 106.6 ? 43 OD1 ? A ASP 202 ? X ASP 206 ? 1_655 ZN ? M ZN . ? X ZN 1297 ? 1_555 OD2 ? A ASP 149 ? X ASP 153 ? 1_555 134.0 ? 44 OD2 ? A ASP 202 ? X ASP 206 ? 1_655 ZN ? M ZN . ? X ZN 1297 ? 1_555 OD2 ? A ASP 149 ? X ASP 153 ? 1_555 94.4 ? 45 OXT ? E ACT . ? X ACT 1289 ? 1_555 ZN ? M ZN . ? X ZN 1297 ? 1_555 O ? O HOH . ? X HOH 2274 ? 1_555 96.1 ? 46 OD1 ? A ASP 202 ? X ASP 206 ? 1_655 ZN ? M ZN . ? X ZN 1297 ? 1_555 O ? O HOH . ? X HOH 2274 ? 1_555 83.1 ? 47 OD2 ? A ASP 202 ? X ASP 206 ? 1_655 ZN ? M ZN . ? X ZN 1297 ? 1_555 O ? O HOH . ? X HOH 2274 ? 1_555 90.5 ? 48 OD2 ? A ASP 149 ? X ASP 153 ? 1_555 ZN ? M ZN . ? X ZN 1297 ? 1_555 O ? O HOH . ? X HOH 2274 ? 1_555 136.0 ? 49 OXT ? E ACT . ? X ACT 1289 ? 1_555 ZN ? M ZN . ? X ZN 1297 ? 1_555 OD1 ? A ASP 149 ? X ASP 153 ? 1_555 97.2 ? 50 OD1 ? A ASP 202 ? X ASP 206 ? 1_655 ZN ? M ZN . ? X ZN 1297 ? 1_555 OD1 ? A ASP 149 ? X ASP 153 ? 1_555 166.6 ? 51 OD2 ? A ASP 202 ? X ASP 206 ? 1_655 ZN ? M ZN . ? X ZN 1297 ? 1_555 OD1 ? A ASP 149 ? X ASP 153 ? 1_555 121.6 ? 52 OD2 ? A ASP 149 ? X ASP 153 ? 1_555 ZN ? M ZN . ? X ZN 1297 ? 1_555 OD1 ? A ASP 149 ? X ASP 153 ? 1_555 56.6 ? 53 O ? O HOH . ? X HOH 2274 ? 1_555 ZN ? M ZN . ? X ZN 1297 ? 1_555 OD1 ? A ASP 149 ? X ASP 153 ? 1_555 83.8 ? 54 O ? O HOH . ? X HOH 2414 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 O ? O HOH . ? X HOH 2415 ? 1_555 90.4 ? 55 O ? O HOH . ? X HOH 2414 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 O ? O HOH . ? X HOH 2421 ? 1_555 89.7 ? 56 O ? O HOH . ? X HOH 2415 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 O ? O HOH . ? X HOH 2421 ? 1_555 88.8 ? 57 O ? O HOH . ? X HOH 2414 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 O ? O HOH . ? X HOH 2413 ? 1_555 175.3 ? 58 O ? O HOH . ? X HOH 2415 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 O ? O HOH . ? X HOH 2413 ? 1_555 86.7 ? 59 O ? O HOH . ? X HOH 2421 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 O ? O HOH . ? X HOH 2413 ? 1_555 86.5 ? 60 O ? O HOH . ? X HOH 2414 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 OE2 ? A GLU 270 ? X GLU 274 ? 1_555 92.9 ? 61 O ? O HOH . ? X HOH 2415 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 OE2 ? A GLU 270 ? X GLU 274 ? 1_555 176.7 ? 62 O ? O HOH . ? X HOH 2421 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 OE2 ? A GLU 270 ? X GLU 274 ? 1_555 91.2 ? 63 O ? O HOH . ? X HOH 2413 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 OE2 ? A GLU 270 ? X GLU 274 ? 1_555 90.0 ? 64 O ? O HOH . ? X HOH 2414 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 OE1 ? A GLU 267 ? X GLU 271 ? 1_555 90.4 ? 65 O ? O HOH . ? X HOH 2415 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 OE1 ? A GLU 267 ? X GLU 271 ? 1_555 90.1 ? 66 O ? O HOH . ? X HOH 2421 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 OE1 ? A GLU 267 ? X GLU 271 ? 1_555 178.9 ? 67 O ? O HOH . ? X HOH 2413 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 OE1 ? A GLU 267 ? X GLU 271 ? 1_555 93.4 ? 68 OE2 ? A GLU 270 ? X GLU 274 ? 1_555 ZN ? H ZN . ? X ZN 1292 ? 1_555 OE1 ? A GLU 267 ? X GLU 271 ? 1_555 89.9 ? 69 O ? O HOH . ? X HOH 2284 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 O ? O HOH . ? X HOH 2285 ? 1_555 91.7 ? 70 O ? O HOH . ? X HOH 2284 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 O ? O HOH . ? X HOH 2286 ? 1_555 174.0 ? 71 O ? O HOH . ? X HOH 2285 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 O ? O HOH . ? X HOH 2286 ? 1_555 87.0 ? 72 O ? O HOH . ? X HOH 2284 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 O ? O HOH . ? X HOH 2345 ? 1_555 88.2 ? 73 O ? O HOH . ? X HOH 2285 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 O ? O HOH . ? X HOH 2345 ? 1_555 86.6 ? 74 O ? O HOH . ? X HOH 2286 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 O ? O HOH . ? X HOH 2345 ? 1_555 86.0 ? 75 O ? O HOH . ? X HOH 2284 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 OD1 ? A ASN 209 ? X ASN 213 ? 1_555 90.3 ? 76 O ? O HOH . ? X HOH 2285 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 OD1 ? A ASN 209 ? X ASN 213 ? 1_555 171.8 ? 77 O ? O HOH . ? X HOH 2286 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 OD1 ? A ASN 209 ? X ASN 213 ? 1_555 90.2 ? 78 O ? O HOH . ? X HOH 2345 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 OD1 ? A ASN 209 ? X ASN 213 ? 1_555 85.5 ? 79 O ? O HOH . ? X HOH 2284 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 OD2 ? A ASP 163 ? X ASP 167 ? 1_555 100.2 ? 80 O ? O HOH . ? X HOH 2285 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 OD2 ? A ASP 163 ? X ASP 167 ? 1_555 87.9 ? 81 O ? O HOH . ? X HOH 2286 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 OD2 ? A ASP 163 ? X ASP 167 ? 1_555 85.6 ? 82 O ? O HOH . ? X HOH 2345 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 OD2 ? A ASP 163 ? X ASP 167 ? 1_555 170.1 ? 83 OD1 ? A ASN 209 ? X ASN 213 ? 1_555 ZN ? I ZN . ? X ZN 1293 ? 1_555 OD2 ? A ASP 163 ? X ASP 167 ? 1_555 99.6 ? 84 OD2 ? A ASP 182 ? X ASP 186 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2301 ? 1_555 98.2 ? 85 OD2 ? A ASP 182 ? X ASP 186 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2305 ? 1_555 94.6 ? 86 O ? O HOH . ? X HOH 2301 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2305 ? 1_555 162.7 ? 87 OD2 ? A ASP 182 ? X ASP 186 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2303 ? 1_555 133.5 ? 88 O ? O HOH . ? X HOH 2301 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2303 ? 1_555 100.9 ? 89 O ? O HOH . ? X HOH 2305 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2303 ? 1_555 61.8 ? 90 OD2 ? A ASP 182 ? X ASP 186 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 OD1 ? A ASP 182 ? X ASP 186 ? 1_555 56.2 ? 91 O ? O HOH . ? X HOH 2301 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 OD1 ? A ASP 182 ? X ASP 186 ? 1_555 98.5 ? 92 O ? O HOH . ? X HOH 2305 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 OD1 ? A ASP 182 ? X ASP 186 ? 1_555 79.0 ? 93 O ? O HOH . ? X HOH 2303 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 OD1 ? A ASP 182 ? X ASP 186 ? 1_555 79.2 ? 94 OD2 ? A ASP 182 ? X ASP 186 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2306 ? 1_555 136.6 ? 95 O ? O HOH . ? X HOH 2301 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2306 ? 1_555 95.2 ? 96 O ? O HOH . ? X HOH 2305 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2306 ? 1_555 83.3 ? 97 O ? O HOH . ? X HOH 2303 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2306 ? 1_555 83.1 ? 98 OD1 ? A ASP 182 ? X ASP 186 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2306 ? 1_555 159.4 ? 99 OD2 ? A ASP 182 ? X ASP 186 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2302 ? 1_555 74.0 ? 100 O ? O HOH . ? X HOH 2301 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2302 ? 1_555 83.8 ? 101 O ? O HOH . ? X HOH 2305 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2302 ? 1_555 111.1 ? 102 O ? O HOH . ? X HOH 2303 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2302 ? 1_555 149.8 ? 103 OD1 ? A ASP 182 ? X ASP 186 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2302 ? 1_555 130.0 ? 104 O ? O HOH . ? X HOH 2306 ? 1_555 ZN ? K ZN . ? X ZN 1295 ? 1_555 O ? O HOH . ? X HOH 2302 ? 1_555 66.7 ? 105 O ? O HOH . ? X HOH 2434 ? 1_555 ZN ? L ZN . ? X ZN 1296 ? 1_555 O ? O HOH . ? X HOH 2120 ? 1_555 93.3 ? 106 O ? O HOH . ? X HOH 2434 ? 1_555 ZN ? L ZN . ? X ZN 1296 ? 1_555 O ? O HOH . ? X HOH 2119 ? 1_555 85.1 ? 107 O ? O HOH . ? X HOH 2120 ? 1_555 ZN ? L ZN . ? X ZN 1296 ? 1_555 O ? O HOH . ? X HOH 2119 ? 1_555 109.8 ? 108 O ? O HOH . ? X HOH 2434 ? 1_555 ZN ? L ZN . ? X ZN 1296 ? 1_555 NE2 ? A HIS 50 ? X HIS 54 ? 1_555 159.8 ? 109 O ? O HOH . ? X HOH 2120 ? 1_555 ZN ? L ZN . ? X ZN 1296 ? 1_555 NE2 ? A HIS 50 ? X HIS 54 ? 1_555 95.9 ? 110 O ? O HOH . ? X HOH 2119 ? 1_555 ZN ? L ZN . ? X ZN 1296 ? 1_555 NE2 ? A HIS 50 ? X HIS 54 ? 1_555 108.4 ? 111 O ? O HOH . ? X HOH 2434 ? 1_555 ZN ? N ZN . ? X ZN 1298 ? 1_555 O ? O HOH . ? X HOH 2120 ? 1_555 89.9 ? 112 O ? O HOH . ? X HOH 2434 ? 1_555 ZN ? N ZN . ? X ZN 1298 ? 1_555 NE2 ? A HIS 50 ? X HIS 54 ? 1_555 142.2 ? 113 O ? O HOH . ? X HOH 2120 ? 1_555 ZN ? N ZN . ? X ZN 1298 ? 1_555 NE2 ? A HIS 50 ? X HIS 54 ? 1_555 81.7 ? # 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 2012-08-22 2 'Structure model' 1 1 2018-01-17 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' Advisory 2 2 'Structure model' 'Data collection' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' diffrn_source 2 2 'Structure model' pdbx_unobs_or_zero_occ_atoms # _pdbx_audit_revision_item.ordinal 1 _pdbx_audit_revision_item.revision_ordinal 2 _pdbx_audit_revision_item.data_content_type 'Structure model' _pdbx_audit_revision_item.item '_diffrn_source.pdbx_synchrotron_site' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.5.0109 ? 1 MOSFLM 'data reduction' . ? 2 SCALA 'data scaling' . ? 3 PHENIX phasing . ? 4 # _pdbx_database_remark.id 700 _pdbx_database_remark.text ; SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "XA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. ; # _pdbx_entry_details.entry_id 4AC1 _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details 'MATURE PEPTIDE FROM PRECURSOR CAZ16624.1.' # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O X PRO 152 ? ? O X HOH 2265 ? ? 2.18 2 1 O X HOH 2199 ? ? O X HOH 2260 ? ? 2.18 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CB _pdbx_validate_rmsd_bond.auth_asym_id_1 X _pdbx_validate_rmsd_bond.auth_comp_id_1 SER _pdbx_validate_rmsd_bond.auth_seq_id_1 245 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 A _pdbx_validate_rmsd_bond.auth_atom_id_2 OG _pdbx_validate_rmsd_bond.auth_asym_id_2 X _pdbx_validate_rmsd_bond.auth_comp_id_2 SER _pdbx_validate_rmsd_bond.auth_seq_id_2 245 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 A _pdbx_validate_rmsd_bond.bond_value 1.235 _pdbx_validate_rmsd_bond.bond_target_value 1.418 _pdbx_validate_rmsd_bond.bond_deviation -0.183 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.013 _pdbx_validate_rmsd_bond.linker_flag 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 ALA X 36 ? ? -116.19 63.70 2 1 ASN X 56 ? ? 54.21 -118.66 3 1 THR X 98 ? ? -127.95 -110.05 4 1 SER X 168 ? ? -138.55 -152.23 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? X HOH 2021 ? 6.76 . 2 1 O ? X HOH 2071 ? 6.19 . 3 1 O ? X HOH 2091 ? 5.88 . 4 1 O ? X HOH 2115 ? 6.55 . 5 1 O ? X HOH 2205 ? 6.33 . # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 'ACETATE ION' ACT 4 'ZINC ION' ZN 5 water HOH #