data_4GQ7 # _entry.id 4GQ7 # _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 4GQ7 RCSB RCSB074500 WWPDB D_1000074500 # _pdbx_database_status.entry_id 4GQ7 _pdbx_database_status.status_code REL _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2012-08-22 _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Sim, L.' 1 'Groes, M.' 2 'Olesen, K.' 3 'Henriksen, A.' 4 # _citation.id primary _citation.title ;Structural and biochemical characterization of the N-terminal domain of flocculin Lg-Flo1p from Saccharomyces pastorianus reveals a unique specificity for phosphorylated mannose. ; _citation.journal_abbrev 'Febs J.' _citation.journal_volume 280 _citation.page_first 1073 _citation.page_last 1083 _citation.year 2013 _citation.journal_id_ASTM ? _citation.country UK _citation.journal_id_ISSN 1742-464X _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23281814 _citation.pdbx_database_id_DOI 10.1111/febs.12102 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Sim, L.' 1 primary 'Groes, M.' 2 primary 'Olesen, K.' 3 primary 'Henriksen, A.' 4 # _cell.length_a 36.056 _cell.length_b 59.947 _cell.length_c 82.344 _cell.angle_alpha 90.000 _cell.angle_beta 90.000 _cell.angle_gamma 90.000 _cell.entry_id 4GQ7 _cell.pdbx_unique_axis ? _cell.Z_PDB 4 _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.entry_id 4GQ7 _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.Int_Tables_number 19 _symmetry.cell_setting ? _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man Flocculin 24670.186 1 ? ? 'UNP residues 26-245' ? 2 non-polymer syn 'CALCIUM ION' 40.078 1 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 4 water nat water 18.015 39 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name Lg-Flo1p # _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 ;EAEATQACLPVGSRKNGMNVNFYKYSLQDSTTYSDPQYMAYKYSDTKKLGSVSGQTHLSIYYGPNTAFWNTASWSSDLFG FYTTPTNVTVEMTGYFLPPQTGSYTFKFATVDDSAILSVGGSIAFECCAQEQPPITSTDFTINGIKPWDAAAPTDIKGST YMYAGYYYPIKIVYSNAKALARLPVSVVLPDGTEVNDDFEGYVYSFDDDLSQSNCTIPDPSKHT ; _entity_poly.pdbx_seq_one_letter_code_can ;EAEATQACLPVGSRKNGMNVNFYKYSLQDSTTYSDPQYMAYKYSDTKKLGSVSGQTHLSIYYGPNTAFWNTASWSSDLFG FYTTPTNVTVEMTGYFLPPQTGSYTFKFATVDDSAILSVGGSIAFECCAQEQPPITSTDFTINGIKPWDAAAPTDIKGST YMYAGYYYPIKIVYSNAKALARLPVSVVLPDGTEVNDDFEGYVYSFDDDLSQSNCTIPDPSKHT ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLU n 1 2 ALA n 1 3 GLU n 1 4 ALA n 1 5 THR n 1 6 GLN n 1 7 ALA n 1 8 CYS n 1 9 LEU n 1 10 PRO n 1 11 VAL n 1 12 GLY n 1 13 SER n 1 14 ARG n 1 15 LYS n 1 16 ASN n 1 17 GLY n 1 18 MET n 1 19 ASN n 1 20 VAL n 1 21 ASN n 1 22 PHE n 1 23 TYR n 1 24 LYS n 1 25 TYR n 1 26 SER n 1 27 LEU n 1 28 GLN n 1 29 ASP n 1 30 SER n 1 31 THR n 1 32 THR n 1 33 TYR n 1 34 SER n 1 35 ASP n 1 36 PRO n 1 37 GLN n 1 38 TYR n 1 39 MET n 1 40 ALA n 1 41 TYR n 1 42 LYS n 1 43 TYR n 1 44 SER n 1 45 ASP n 1 46 THR n 1 47 LYS n 1 48 LYS n 1 49 LEU n 1 50 GLY n 1 51 SER n 1 52 VAL n 1 53 SER n 1 54 GLY n 1 55 GLN n 1 56 THR n 1 57 HIS n 1 58 LEU n 1 59 SER n 1 60 ILE n 1 61 TYR n 1 62 TYR n 1 63 GLY n 1 64 PRO n 1 65 ASN n 1 66 THR n 1 67 ALA n 1 68 PHE n 1 69 TRP n 1 70 ASN n 1 71 THR n 1 72 ALA n 1 73 SER n 1 74 TRP n 1 75 SER n 1 76 SER n 1 77 ASP n 1 78 LEU n 1 79 PHE n 1 80 GLY n 1 81 PHE n 1 82 TYR n 1 83 THR n 1 84 THR n 1 85 PRO n 1 86 THR n 1 87 ASN n 1 88 VAL n 1 89 THR n 1 90 VAL n 1 91 GLU n 1 92 MET n 1 93 THR n 1 94 GLY n 1 95 TYR n 1 96 PHE n 1 97 LEU n 1 98 PRO n 1 99 PRO n 1 100 GLN n 1 101 THR n 1 102 GLY n 1 103 SER n 1 104 TYR n 1 105 THR n 1 106 PHE n 1 107 LYS n 1 108 PHE n 1 109 ALA n 1 110 THR n 1 111 VAL n 1 112 ASP n 1 113 ASP n 1 114 SER n 1 115 ALA n 1 116 ILE n 1 117 LEU n 1 118 SER n 1 119 VAL n 1 120 GLY n 1 121 GLY n 1 122 SER n 1 123 ILE n 1 124 ALA n 1 125 PHE n 1 126 GLU n 1 127 CYS n 1 128 CYS n 1 129 ALA n 1 130 GLN n 1 131 GLU n 1 132 GLN n 1 133 PRO n 1 134 PRO n 1 135 ILE n 1 136 THR n 1 137 SER n 1 138 THR n 1 139 ASP n 1 140 PHE n 1 141 THR n 1 142 ILE n 1 143 ASN n 1 144 GLY n 1 145 ILE n 1 146 LYS n 1 147 PRO n 1 148 TRP n 1 149 ASP n 1 150 ALA n 1 151 ALA n 1 152 ALA n 1 153 PRO n 1 154 THR n 1 155 ASP n 1 156 ILE n 1 157 LYS n 1 158 GLY n 1 159 SER n 1 160 THR n 1 161 TYR n 1 162 MET n 1 163 TYR n 1 164 ALA n 1 165 GLY n 1 166 TYR n 1 167 TYR n 1 168 TYR n 1 169 PRO n 1 170 ILE n 1 171 LYS n 1 172 ILE n 1 173 VAL n 1 174 TYR n 1 175 SER n 1 176 ASN n 1 177 ALA n 1 178 LYS n 1 179 ALA n 1 180 LEU n 1 181 ALA n 1 182 ARG n 1 183 LEU n 1 184 PRO n 1 185 VAL n 1 186 SER n 1 187 VAL n 1 188 VAL n 1 189 LEU n 1 190 PRO n 1 191 ASP n 1 192 GLY n 1 193 THR n 1 194 GLU n 1 195 VAL n 1 196 ASN n 1 197 ASP n 1 198 ASP n 1 199 PHE n 1 200 GLU n 1 201 GLY n 1 202 TYR n 1 203 VAL n 1 204 TYR n 1 205 SER n 1 206 PHE n 1 207 ASP n 1 208 ASP n 1 209 ASP n 1 210 LEU n 1 211 SER n 1 212 GLN n 1 213 SER n 1 214 ASN n 1 215 CYS n 1 216 THR n 1 217 ILE n 1 218 PRO n 1 219 ASP n 1 220 PRO n 1 221 SER n 1 222 LYS n 1 223 HIS n 1 224 THR n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name 'Saccharomyces carlsbergensis' _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene Lg-FLO1 _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain CG2164 _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Saccharomyces pastorianus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 27292 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name 'Pichia pastoris' _entity_src_gen.pdbx_host_org_scientific_name 'Komagataella pastoris' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 644223 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain GS115 _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pPIC-9k _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code B3IUA8_SACPS _struct_ref.pdbx_db_accession B3IUA8 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;TQACLPVGSRKNGMNVNFYKYSLQDSTTYSDPQYMAYKYSDTKKLGSVSGQTHLSIYYGPNTAFWNTASWSSDLFGFYTT PTNVTVEMTGYFLPPQTGSYTFKFATVDDSAILSVGGSIAFECCAQEQPPITSTDFTINGIKPWDAATPTDIKGSTYMYA GYYYPIKIVYSNAKALARLPVSVVLPDGTEVNDDFEGYVYSFDDDLSQSNCTIPDPSKHT ; _struct_ref.pdbx_align_begin 26 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4GQ7 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 5 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 224 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession B3IUA8 _struct_ref_seq.db_align_beg 26 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 245 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 26 _struct_ref_seq.pdbx_auth_seq_align_end 245 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 4GQ7 GLU A 1 ? UNP B3IUA8 ? ? 'EXPRESSION TAG' 22 1 1 4GQ7 ALA A 2 ? UNP B3IUA8 ? ? 'EXPRESSION TAG' 23 2 1 4GQ7 GLU A 3 ? UNP B3IUA8 ? ? 'EXPRESSION TAG' 24 3 1 4GQ7 ALA A 4 ? UNP B3IUA8 ? ? 'EXPRESSION TAG' 25 4 1 4GQ7 ALA A 152 ? UNP B3IUA8 THR 173 'SEE REMARK 999' 173 5 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.crystals_number 1 _exptl.entry_id 4GQ7 _exptl.method 'X-RAY DIFFRACTION' # _exptl_crystal.id 1 _exptl_crystal.density_Matthews 1.80 _exptl_crystal.density_meas ? _exptl_crystal.density_percent_sol 31.80 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION' _exptl_crystal_grow.pH ? _exptl_crystal_grow.temp 295 _exptl_crystal_grow.pdbx_details '25% w/v PEG4000, 0.05 M potassium phosphate monobasic, VAPOR DIFFUSION, temperature 295K' _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'BRUKER SMART 1000' _diffrn_detector.pdbx_collection_date 2002-02-27 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.monochromator 'Triangular single crystal Si(111) with horizontal diffraction plane' _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.968 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'MAX II BEAMLINE I711' _diffrn_source.pdbx_wavelength_list 0.968 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_site 'MAX II' _diffrn_source.pdbx_synchrotron_beamline I711 # _reflns.entry_id 4GQ7 _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.d_resolution_high 2.53 _reflns.d_resolution_low 9.99 _reflns.number_all 6260 _reflns.number_obs 6042 _reflns.percent_possible_obs 97.9 _reflns.pdbx_Rmerge_I_obs 0.049 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 5.9 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 5.6 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _refine.entry_id 4GQ7 _refine.ls_d_res_high 2.53 _refine.ls_d_res_low 9.99 _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_percent_reflns_obs 94.63 _refine.ls_number_reflns_obs 6041 _refine.ls_number_reflns_all ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_R_Free_selection_details RANDOM _refine.details ;HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY ; _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1888 _refine.ls_R_factor_R_work 0.1862 _refine.ls_wR_factor_R_work ? _refine.ls_R_factor_R_free 0.2398 _refine.ls_wR_factor_R_free ? _refine.ls_percent_reflns_R_free 4.7 _refine.ls_number_reflns_R_free 282 _refine.ls_R_factor_R_free_error ? _refine.B_iso_mean 19.6101 _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.pdbx_isotropic_thermal_model ? _refine.aniso_B[1][1] 0.0100 _refine.aniso_B[2][2] -0.0100 _refine.aniso_B[3][3] 0.0000 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] -0.0000 _refine.aniso_B[2][3] -0.0000 _refine.correlation_coeff_Fo_to_Fc 0.9360 _refine.correlation_coeff_Fo_to_Fc_free 0.8880 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free 0.3450 _refine.overall_SU_ML 0.2170 _refine.overall_SU_B 10.0820 _refine.solvent_model_details MASK _refine.pdbx_solvent_vdw_probe_radii 1.2000 _refine.pdbx_solvent_ion_probe_radii 0.8000 _refine.pdbx_solvent_shrinkage_radii 0.8000 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.pdbx_starting_model 'PDB ENTRY 2XJV' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.overall_FOM_work_R_set ? _refine.B_iso_max 69.670 _refine.B_iso_min 5.860 _refine.pdbx_overall_phase_error ? _refine.occupancy_max 1.000 _refine.occupancy_min 1.000 _refine.pdbx_ls_sigma_I ? _refine.ls_redundancy_reflns_obs ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.overall_FOM_free_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_TLS_residual_ADP_flag ? _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 1674 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 29 _refine_hist.number_atoms_solvent 39 _refine_hist.number_atoms_total 1742 _refine_hist.d_res_high 2.53 _refine_hist.d_res_low 9.99 # loop_ _refine_ls_restr.type _refine_ls_restr.number _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function _refine_ls_restr.pdbx_refine_id r_bond_refined_d 1754 0.006 0.020 ? ? 'X-RAY DIFFRACTION' r_bond_other_d 1515 0.001 0.020 ? ? 'X-RAY DIFFRACTION' r_angle_refined_deg 2405 1.020 1.969 ? ? 'X-RAY DIFFRACTION' r_angle_other_deg 3494 0.745 3.002 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 219 6.037 5.000 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 72 32.763 25.000 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 238 14.681 15.000 ? ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 2 18.907 15.000 ? ? 'X-RAY DIFFRACTION' r_chiral_restr 268 0.062 0.200 ? ? 'X-RAY DIFFRACTION' r_gen_planes_refined 2010 0.004 0.021 ? ? 'X-RAY DIFFRACTION' r_gen_planes_other 390 0.001 0.020 ? ? 'X-RAY DIFFRACTION' # _refine_ls_shell.d_res_high 2.53 _refine_ls_shell.d_res_low 2.589 _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.percent_reflns_obs 89.58 _refine_ls_shell.number_reflns_R_work 386 _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_R_work 0.2550 _refine_ls_shell.R_factor_R_free 0.2750 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 18 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.number_reflns_all 404 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 4GQ7 _struct.title 'Crystal structure of Lg-Flo1p' _struct.pdbx_descriptor Flocculin _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4GQ7 _struct_keywords.text 'Carbohydrate binding domain, PA14 domain, SUGAR BINDING PROTEIN' _struct_keywords.pdbx_keywords 'SUGAR BINDING PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 3 ? E N N 4 ? # _struct_biol.id 1 _struct_biol.details ? # 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 THR A 31 ? SER A 34 ? THR A 52 SER A 55 5 ? 4 HELX_P HELX_P2 2 ASP A 35 ? TYR A 41 ? ASP A 56 TYR A 62 1 ? 7 HELX_P HELX_P3 3 LYS A 42 ? THR A 46 ? LYS A 63 THR A 67 5 ? 5 HELX_P HELX_P4 4 GLN A 212 ? ASN A 214 ? GLN A 233 ASN A 235 5 ? 3 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 8 SG ? ? ? 1_555 A CYS 127 SG ? ? A CYS 29 A CYS 148 1_555 ? ? ? ? ? ? ? 2.024 ? disulf2 disulf ? ? A CYS 128 SG ? ? ? 1_555 A CYS 215 SG ? ? A CYS 149 A CYS 236 1_555 ? ? ? ? ? ? ? 2.029 ? covale1 covale ? ? A ASN 214 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 235 A NAG 303 1_555 ? ? ? ? ? ? ? 1.449 ? covale2 covale ? ? A ASN 87 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 108 A NAG 302 1_555 ? ? ? ? ? ? ? 1.454 ? metalc1 metalc ? ? A LYS 178 O ? ? ? 1_555 B CA . CA ? ? A LYS 199 A CA 301 1_555 ? ? ? ? ? ? ? 2.318 ? metalc2 metalc ? ? A ASP 113 OD1 ? ? ? 1_555 B CA . CA ? ? A ASP 134 A CA 301 1_555 ? ? ? ? ? ? ? 2.464 ? metalc3 metalc ? ? A LEU 180 O ? ? ? 1_555 B CA . CA ? ? A LEU 201 A CA 301 1_555 ? ? ? ? ? ? ? 2.513 ? metalc4 metalc ? ? A ASN 176 OD1 ? ? ? 1_555 B CA . CA ? ? A ASN 197 A CA 301 1_555 ? ? ? ? ? ? ? 2.525 ? metalc5 metalc ? ? A ASP 112 OD1 ? ? ? 1_555 B CA . CA ? ? A ASP 133 A CA 301 1_555 ? ? ? ? ? ? ? 2.569 ? metalc6 metalc ? ? B CA . CA ? ? ? 1_555 E HOH . O ? ? A CA 301 A HOH 404 1_555 ? ? ? ? ? ? ? 2.612 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id ASP _struct_mon_prot_cis.label_seq_id 112 _struct_mon_prot_cis.label_asym_id A _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code ? _struct_mon_prot_cis.auth_comp_id ASP _struct_mon_prot_cis.auth_seq_id 133 _struct_mon_prot_cis.auth_asym_id A _struct_mon_prot_cis.pdbx_label_comp_id_2 ASP _struct_mon_prot_cis.pdbx_label_seq_id_2 113 _struct_mon_prot_cis.pdbx_label_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 ASP _struct_mon_prot_cis.pdbx_auth_seq_id_2 134 _struct_mon_prot_cis.pdbx_auth_asym_id_2 A _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle 11.28 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 5 ? C ? 6 ? D ? 2 ? E ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 ALA A 7 ? CYS A 8 ? ALA A 28 CYS A 29 A 2 THR A 216 ? ILE A 217 ? THR A 237 ILE A 238 B 1 LYS A 15 ? ASN A 16 ? LYS A 36 ASN A 37 B 2 VAL A 203 ? SER A 205 ? VAL A 224 SER A 226 B 3 VAL A 88 ? PHE A 96 ? VAL A 109 PHE A 117 B 4 MET A 18 ? TYR A 23 ? MET A 39 TYR A 44 B 5 LYS A 48 ? GLN A 55 ? LYS A 69 GLN A 76 C 1 LYS A 15 ? ASN A 16 ? LYS A 36 ASN A 37 C 2 VAL A 203 ? SER A 205 ? VAL A 224 SER A 226 C 3 VAL A 88 ? PHE A 96 ? VAL A 109 PHE A 117 C 4 TYR A 168 ? ASN A 176 ? TYR A 189 ASN A 197 C 5 SER A 114 ? VAL A 119 ? SER A 135 VAL A 140 C 6 ILE A 142 ? GLY A 144 ? ILE A 163 GLY A 165 D 1 ILE A 60 ? TYR A 62 ? ILE A 81 TYR A 83 D 2 ALA A 181 ? LEU A 183 ? ALA A 202 LEU A 204 E 1 THR A 154 ? MET A 162 ? THR A 175 MET A 183 E 2 GLY A 102 ? THR A 110 ? GLY A 123 THR A 131 E 3 VAL A 185 ? VAL A 188 ? VAL A 206 VAL A 209 E 4 GLU A 194 ? ASN A 196 ? GLU A 215 ASN A 217 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ALA A 7 ? N ALA A 28 O ILE A 217 ? O ILE A 238 B 1 2 N LYS A 15 ? N LYS A 36 O SER A 205 ? O SER A 226 B 2 3 O TYR A 204 ? O TYR A 225 N TYR A 95 ? N TYR A 116 B 3 4 O THR A 93 ? O THR A 114 N ASN A 19 ? N ASN A 40 B 4 5 N VAL A 20 ? N VAL A 41 O VAL A 52 ? O VAL A 73 C 1 2 N LYS A 15 ? N LYS A 36 O SER A 205 ? O SER A 226 C 2 3 O TYR A 204 ? O TYR A 225 N TYR A 95 ? N TYR A 116 C 3 4 N PHE A 96 ? N PHE A 117 O TYR A 168 ? O TYR A 189 C 4 5 O SER A 175 ? O SER A 196 N SER A 114 ? N SER A 135 C 5 6 O LEU A 117 ? O LEU A 138 N ILE A 142 ? N ILE A 163 D 1 2 N ILE A 60 ? N ILE A 81 O LEU A 183 ? O LEU A 204 E 1 2 O MET A 162 ? O MET A 183 N GLY A 102 ? N GLY A 123 E 2 3 N LYS A 107 ? N LYS A 128 O SER A 186 ? O SER A 207 E 3 4 N VAL A 187 ? N VAL A 208 O VAL A 195 ? O VAL A 216 # 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 ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA A 301' AC2 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE NAG A 302' AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 303' # 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 6 ASP A 112 ? ASP A 133 . ? 1_555 ? 2 AC1 6 ASP A 113 ? ASP A 134 . ? 1_555 ? 3 AC1 6 ASN A 176 ? ASN A 197 . ? 1_555 ? 4 AC1 6 LYS A 178 ? LYS A 199 . ? 1_555 ? 5 AC1 6 LEU A 180 ? LEU A 201 . ? 1_555 ? 6 AC1 6 HOH E . ? HOH A 404 . ? 1_555 ? 7 AC2 9 ALA A 2 ? ALA A 23 . ? 2_454 ? 8 AC2 9 LYS A 24 ? LYS A 45 . ? 1_555 ? 9 AC2 9 TYR A 25 ? TYR A 46 . ? 1_555 ? 10 AC2 9 LEU A 49 ? LEU A 70 . ? 1_555 ? 11 AC2 9 ALA A 72 ? ALA A 93 . ? 1_555 ? 12 AC2 9 THR A 83 ? THR A 104 . ? 1_555 ? 13 AC2 9 THR A 84 ? THR A 105 . ? 1_555 ? 14 AC2 9 ASN A 87 ? ASN A 108 . ? 1_555 ? 15 AC2 9 HOH E . ? HOH A 433 . ? 1_555 ? 16 AC3 6 VAL A 11 ? VAL A 32 . ? 1_555 ? 17 AC3 6 THR A 101 ? THR A 122 . ? 4_446 ? 18 AC3 6 TYR A 163 ? TYR A 184 . ? 4_446 ? 19 AC3 6 ALA A 164 ? ALA A 185 . ? 4_446 ? 20 AC3 6 TYR A 166 ? TYR A 187 . ? 4_446 ? 21 AC3 6 ASN A 214 ? ASN A 235 . ? 1_555 ? # _atom_sites.entry_id 4GQ7 _atom_sites.fract_transf_matrix[1][1] 0.027735 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] -0.000000 _atom_sites.fract_transf_matrix[2][2] 0.016681 _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] 0.012144 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C CA N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ALA A 1 2 ? 1.399 2.392 39.749 1.00 45.47 ? 23 ALA A N 1 ATOM 2 C CA . ALA A 1 2 ? 1.319 3.629 38.913 1.00 45.60 ? 23 ALA A CA 1 ATOM 3 C C . ALA A 1 2 ? 1.903 3.441 37.509 1.00 45.22 ? 23 ALA A C 1 ATOM 4 O O . ALA A 1 2 ? 1.515 4.157 36.581 1.00 45.58 ? 23 ALA A O 1 ATOM 5 C CB . ALA A 1 2 ? 2.015 4.786 39.620 1.00 45.60 ? 23 ALA A CB 1 ATOM 6 N N . GLU A 1 3 ? 2.829 2.487 37.368 1.00 43.86 ? 24 GLU A N 1 ATOM 7 C CA . GLU A 1 3 ? 3.570 2.258 36.122 1.00 42.25 ? 24 GLU A CA 1 ATOM 8 C C . GLU A 1 3 ? 3.504 0.824 35.563 1.00 38.19 ? 24 GLU A C 1 ATOM 9 O O . GLU A 1 3 ? 3.733 0.621 34.370 1.00 37.61 ? 24 GLU A O 1 ATOM 10 C CB . GLU A 1 3 ? 5.037 2.647 36.336 1.00 44.67 ? 24 GLU A CB 1 ATOM 11 C CG . GLU A 1 3 ? 5.292 4.137 36.210 1.00 47.06 ? 24 GLU A CG 1 ATOM 12 C CD . GLU A 1 3 ? 5.236 4.600 34.767 1.00 49.61 ? 24 GLU A CD 1 ATOM 13 O OE1 . GLU A 1 3 ? 4.435 5.513 34.459 1.00 51.07 ? 24 GLU A OE1 1 ATOM 14 O OE2 . GLU A 1 3 ? 5.985 4.035 33.937 1.00 51.49 ? 24 GLU A OE2 1 ATOM 15 N N . ALA A 1 4 ? 3.215 -0.161 36.410 1.00 34.08 ? 25 ALA A N 1 ATOM 16 C CA . ALA A 1 4 ? 3.138 -1.557 35.968 1.00 31.47 ? 25 ALA A CA 1 ATOM 17 C C . ALA A 1 4 ? 1.934 -1.777 35.056 1.00 29.11 ? 25 ALA A C 1 ATOM 18 O O . ALA A 1 4 ? 0.860 -1.221 35.301 1.00 28.60 ? 25 ALA A O 1 ATOM 19 C CB . ALA A 1 4 ? 3.067 -2.489 37.167 1.00 31.33 ? 25 ALA A CB 1 ATOM 20 N N . THR A 1 5 ? 2.120 -2.582 34.007 1.00 26.83 ? 26 THR A N 1 ATOM 21 C CA . THR A 1 5 ? 1.051 -2.865 33.041 1.00 25.02 ? 26 THR A CA 1 ATOM 22 C C . THR A 1 5 ? 0.014 -3.793 33.674 1.00 23.33 ? 26 THR A C 1 ATOM 23 O O . THR A 1 5 ? 0.367 -4.761 34.345 1.00 22.69 ? 26 THR A O 1 ATOM 24 C CB . THR A 1 5 ? 1.588 -3.512 31.741 1.00 25.02 ? 26 THR A CB 1 ATOM 25 O OG1 . THR A 1 5 ? 2.699 -2.760 31.240 1.00 24.58 ? 26 THR A OG1 1 ATOM 26 C CG2 . THR A 1 5 ? 0.503 -3.571 30.665 1.00 25.05 ? 26 THR A CG2 1 ATOM 27 N N . GLN A 1 6 ? -1.262 -3.483 33.456 1.00 21.60 ? 27 GLN A N 1 ATOM 28 C CA . GLN A 1 6 ? -2.360 -4.254 34.030 1.00 20.47 ? 27 GLN A CA 1 ATOM 29 C C . GLN A 1 6 ? -2.493 -5.624 33.369 1.00 19.61 ? 27 GLN A C 1 ATOM 30 O O . GLN A 1 6 ? -2.451 -5.744 32.142 1.00 19.55 ? 27 GLN A O 1 ATOM 31 C CB . GLN A 1 6 ? -3.666 -3.476 33.884 1.00 20.52 ? 27 GLN A CB 1 ATOM 32 C CG . GLN A 1 6 ? -4.879 -4.132 34.525 1.00 20.49 ? 27 GLN A CG 1 ATOM 33 C CD . GLN A 1 6 ? -6.087 -3.214 34.531 1.00 20.49 ? 27 GLN A CD 1 ATOM 34 O OE1 . GLN A 1 6 ? -6.077 -2.159 35.169 1.00 20.62 ? 27 GLN A OE1 1 ATOM 35 N NE2 . GLN A 1 6 ? -7.137 -3.607 33.816 1.00 20.32 ? 27 GLN A NE2 1 ATOM 36 N N . ALA A 1 7 ? -2.643 -6.654 34.197 1.00 18.87 ? 28 ALA A N 1 ATOM 37 C CA . ALA A 1 7 ? -2.861 -8.022 33.733 1.00 18.07 ? 28 ALA A CA 1 ATOM 38 C C . ALA A 1 7 ? -4.147 -8.569 34.349 1.00 17.89 ? 28 ALA A C 1 ATOM 39 O O . ALA A 1 7 ? -4.852 -7.855 35.059 1.00 17.72 ? 28 ALA A O 1 ATOM 40 C CB . ALA A 1 7 ? -1.677 -8.895 34.101 1.00 17.87 ? 28 ALA A CB 1 ATOM 41 N N . CYS A 1 8 ? -4.456 -9.830 34.056 1.00 17.98 ? 29 CYS A N 1 ATOM 42 C CA . CYS A 1 8 ? -5.667 -10.474 34.556 1.00 17.83 ? 29 CYS A CA 1 ATOM 43 C C . CYS A 1 8 ? -5.403 -11.902 34.994 1.00 17.59 ? 29 CYS A C 1 ATOM 44 O O . CYS A 1 8 ? -4.401 -12.504 34.616 1.00 17.26 ? 29 CYS A O 1 ATOM 45 C CB . CYS A 1 8 ? -6.756 -10.509 33.480 1.00 18.04 ? 29 CYS A CB 1 ATOM 46 S SG . CYS A 1 8 ? -6.780 -9.126 32.325 1.00 18.19 ? 29 CYS A SG 1 ATOM 47 N N . LEU A 1 9 ? -6.338 -12.447 35.765 1.00 17.78 ? 30 LEU A N 1 ATOM 48 C CA . LEU A 1 9 ? -6.302 -13.857 36.140 1.00 18.15 ? 30 LEU A CA 1 ATOM 49 C C . LEU A 1 9 ? -7.708 -14.479 36.052 1.00 18.15 ? 30 LEU A C 1 ATOM 50 O O . LEU A 1 9 ? -8.351 -14.715 37.074 1.00 17.95 ? 30 LEU A O 1 ATOM 51 C CB . LEU A 1 9 ? -5.706 -14.010 37.552 1.00 18.31 ? 30 LEU A CB 1 ATOM 52 C CG . LEU A 1 9 ? -4.743 -15.182 37.790 1.00 18.54 ? 30 LEU A CG 1 ATOM 53 C CD1 . LEU A 1 9 ? -5.180 -16.451 37.056 1.00 18.61 ? 30 LEU A CD1 1 ATOM 54 C CD2 . LEU A 1 9 ? -3.321 -14.796 37.398 1.00 18.49 ? 30 LEU A CD2 1 ATOM 55 N N . PRO A 1 10 ? -8.193 -14.739 34.821 1.00 18.57 ? 31 PRO A N 1 ATOM 56 C CA . PRO A 1 10 ? -9.490 -15.397 34.671 1.00 18.88 ? 31 PRO A CA 1 ATOM 57 C C . PRO A 1 10 ? -9.482 -16.823 35.207 1.00 19.50 ? 31 PRO A C 1 ATOM 58 O O . PRO A 1 10 ? -8.466 -17.507 35.122 1.00 19.65 ? 31 PRO A O 1 ATOM 59 C CB . PRO A 1 10 ? -9.719 -15.395 33.158 1.00 18.71 ? 31 PRO A CB 1 ATOM 60 C CG . PRO A 1 10 ? -8.832 -14.325 32.629 1.00 18.73 ? 31 PRO A CG 1 ATOM 61 C CD . PRO A 1 10 ? -7.627 -14.369 33.512 1.00 18.74 ? 31 PRO A CD 1 ATOM 62 N N . VAL A 1 11 ? -10.617 -17.250 35.756 1.00 20.26 ? 32 VAL A N 1 ATOM 63 C CA . VAL A 1 11 ? -10.754 -18.562 36.387 1.00 20.69 ? 32 VAL A CA 1 ATOM 64 C C . VAL A 1 11 ? -11.626 -19.503 35.542 1.00 20.60 ? 32 VAL A C 1 ATOM 65 O O . VAL A 1 11 ? -11.782 -20.677 35.877 1.00 20.40 ? 32 VAL A O 1 ATOM 66 C CB . VAL A 1 11 ? -11.320 -18.407 37.822 1.00 21.22 ? 32 VAL A CB 1 ATOM 67 C CG1 . VAL A 1 11 ? -11.457 -19.756 38.520 1.00 21.58 ? 32 VAL A CG1 1 ATOM 68 C CG2 . VAL A 1 11 ? -10.414 -17.491 38.637 1.00 21.26 ? 32 VAL A CG2 1 ATOM 69 N N . GLY A 1 12 ? -12.167 -19.000 34.431 1.00 20.69 ? 33 GLY A N 1 ATOM 70 C CA . GLY A 1 12 ? -12.936 -19.837 33.504 1.00 20.82 ? 33 GLY A CA 1 ATOM 71 C C . GLY A 1 12 ? -12.081 -20.919 32.864 1.00 20.83 ? 33 GLY A C 1 ATOM 72 O O . GLY A 1 12 ? -10.858 -20.924 33.014 1.00 20.61 ? 33 GLY A O 1 ATOM 73 N N . SER A 1 13 ? -12.716 -21.842 32.148 1.00 21.11 ? 34 SER A N 1 ATOM 74 C CA . SER A 1 13 ? -11.969 -22.907 31.475 1.00 21.37 ? 34 SER A CA 1 ATOM 75 C C . SER A 1 13 ? -11.144 -22.311 30.319 1.00 21.11 ? 34 SER A C 1 ATOM 76 O O . SER A 1 13 ? -11.680 -21.625 29.442 1.00 20.76 ? 34 SER A O 1 ATOM 77 C CB . SER A 1 13 ? -12.893 -24.049 31.010 1.00 21.39 ? 34 SER A CB 1 ATOM 78 O OG . SER A 1 13 ? -13.601 -23.713 29.836 1.00 21.60 ? 34 SER A OG 1 ATOM 79 N N . ARG A 1 14 ? -9.836 -22.562 30.357 1.00 20.83 ? 35 ARG A N 1 ATOM 80 C CA . ARG A 1 14 ? -8.886 -21.952 29.433 1.00 20.96 ? 35 ARG A CA 1 ATOM 81 C C . ARG A 1 14 ? -8.956 -22.603 28.051 1.00 21.55 ? 35 ARG A C 1 ATOM 82 O O . ARG A 1 14 ? -8.843 -23.825 27.918 1.00 22.00 ? 35 ARG A O 1 ATOM 83 C CB . ARG A 1 14 ? -7.461 -22.065 29.994 1.00 20.54 ? 35 ARG A CB 1 ATOM 84 C CG . ARG A 1 14 ? -6.392 -21.405 29.132 1.00 20.28 ? 35 ARG A CG 1 ATOM 85 C CD . ARG A 1 14 ? -5.038 -21.382 29.824 1.00 20.11 ? 35 ARG A CD 1 ATOM 86 N NE . ARG A 1 14 ? -4.276 -22.621 29.647 1.00 20.14 ? 35 ARG A NE 1 ATOM 87 C CZ . ARG A 1 14 ? -3.063 -22.841 30.158 1.00 19.66 ? 35 ARG A CZ 1 ATOM 88 N NH1 . ARG A 1 14 ? -2.457 -21.912 30.889 1.00 19.59 ? 35 ARG A NH1 1 ATOM 89 N NH2 . ARG A 1 14 ? -2.451 -23.996 29.941 1.00 19.47 ? 35 ARG A NH2 1 ATOM 90 N N . LYS A 1 15 ? -9.138 -21.774 27.027 1.00 22.13 ? 36 LYS A N 1 ATOM 91 C CA . LYS A 1 15 ? -9.189 -22.234 25.644 1.00 22.47 ? 36 LYS A CA 1 ATOM 92 C C . LYS A 1 15 ? -7.903 -21.837 24.934 1.00 22.11 ? 36 LYS A C 1 ATOM 93 O O . LYS A 1 15 ? -7.351 -20.759 25.172 1.00 22.17 ? 36 LYS A O 1 ATOM 94 C CB . LYS A 1 15 ? -10.385 -21.620 24.915 1.00 23.49 ? 36 LYS A CB 1 ATOM 95 C CG . LYS A 1 15 ? -11.742 -22.025 25.476 1.00 24.44 ? 36 LYS A CG 1 ATOM 96 C CD . LYS A 1 15 ? -12.861 -21.603 24.533 1.00 25.50 ? 36 LYS A CD 1 ATOM 97 C CE . LYS A 1 15 ? -14.203 -22.207 24.926 1.00 26.38 ? 36 LYS A CE 1 ATOM 98 N NZ . LYS A 1 15 ? -15.213 -22.071 23.835 1.00 26.71 ? 36 LYS A NZ 1 ATOM 99 N N . ASN A 1 16 ? -7.439 -22.709 24.050 1.00 21.37 ? 37 ASN A N 1 ATOM 100 C CA . ASN A 1 16 ? -6.198 -22.484 23.328 1.00 20.91 ? 37 ASN A CA 1 ATOM 101 C C . ASN A 1 16 ? -6.408 -21.460 22.219 1.00 20.35 ? 37 ASN A C 1 ATOM 102 O O . ASN A 1 16 ? -7.451 -21.458 21.582 1.00 20.76 ? 37 ASN A O 1 ATOM 103 C CB . ASN A 1 16 ? -5.703 -23.808 22.738 1.00 20.92 ? 37 ASN A CB 1 ATOM 104 C CG . ASN A 1 16 ? -4.210 -23.982 22.869 1.00 20.99 ? 37 ASN A CG 1 ATOM 105 O OD1 . ASN A 1 16 ? -3.642 -23.822 23.951 1.00 20.57 ? 37 ASN A OD1 1 ATOM 106 N ND2 . ASN A 1 16 ? -3.565 -24.339 21.769 1.00 21.46 ? 37 ASN A ND2 1 ATOM 107 N N . GLY A 1 17 ? -5.439 -20.573 22.008 1.00 19.64 ? 38 GLY A N 1 ATOM 108 C CA . GLY A 1 17 ? -5.467 -19.665 20.855 1.00 19.32 ? 38 GLY A CA 1 ATOM 109 C C . GLY A 1 17 ? -6.357 -18.436 20.964 1.00 18.82 ? 38 GLY A C 1 ATOM 110 O O . GLY A 1 17 ? -6.959 -18.182 22.003 1.00 18.39 ? 38 GLY A O 1 ATOM 111 N N . MET A 1 18 ? -6.445 -17.694 19.857 1.00 18.70 ? 39 MET A N 1 ATOM 112 C CA . MET A 1 18 ? -7.087 -16.371 19.799 1.00 18.65 ? 39 MET A CA 1 ATOM 113 C C . MET A 1 18 ? -8.402 -16.397 19.034 1.00 18.03 ? 39 MET A C 1 ATOM 114 O O . MET A 1 18 ? -8.602 -17.243 18.162 1.00 18.17 ? 39 MET A O 1 ATOM 115 C CB . MET A 1 18 ? -6.176 -15.391 19.065 1.00 19.22 ? 39 MET A CB 1 ATOM 116 C CG . MET A 1 18 ? -4.737 -15.368 19.541 1.00 19.81 ? 39 MET A CG 1 ATOM 117 S SD . MET A 1 18 ? -4.371 -13.929 20.544 1.00 20.86 ? 39 MET A SD 1 ATOM 118 C CE . MET A 1 18 ? -4.197 -12.684 19.268 1.00 20.29 ? 39 MET A CE 1 ATOM 119 N N . ASN A 1 19 ? -9.280 -15.447 19.342 1.00 17.22 ? 40 ASN A N 1 ATOM 120 C CA . ASN A 1 19 ? -10.497 -15.233 18.568 1.00 16.68 ? 40 ASN A CA 1 ATOM 121 C C . ASN A 1 19 ? -10.205 -14.182 17.513 1.00 15.85 ? 40 ASN A C 1 ATOM 122 O O . ASN A 1 19 ? -9.518 -13.202 17.786 1.00 16.03 ? 40 ASN A O 1 ATOM 123 C CB . ASN A 1 19 ? -11.651 -14.770 19.460 1.00 17.14 ? 40 ASN A CB 1 ATOM 124 C CG . ASN A 1 19 ? -12.962 -14.639 18.699 1.00 17.72 ? 40 ASN A CG 1 ATOM 125 O OD1 . ASN A 1 19 ? -13.685 -15.625 18.508 1.00 18.43 ? 40 ASN A OD1 1 ATOM 126 N ND2 . ASN A 1 19 ? -13.282 -13.418 18.264 1.00 17.83 ? 40 ASN A ND2 1 ATOM 127 N N . VAL A 1 20 ? -10.728 -14.396 16.310 1.00 14.95 ? 41 VAL A N 1 ATOM 128 C CA . VAL A 1 20 ? -10.480 -13.517 15.178 1.00 14.13 ? 41 VAL A CA 1 ATOM 129 C C . VAL A 1 20 ? -11.802 -13.161 14.508 1.00 13.67 ? 41 VAL A C 1 ATOM 130 O O . VAL A 1 20 ? -12.474 -14.031 13.966 1.00 13.68 ? 41 VAL A O 1 ATOM 131 C CB . VAL A 1 20 ? -9.537 -14.182 14.155 1.00 13.91 ? 41 VAL A CB 1 ATOM 132 C CG1 . VAL A 1 20 ? -9.428 -13.338 12.899 1.00 13.91 ? 41 VAL A CG1 1 ATOM 133 C CG2 . VAL A 1 20 ? -8.161 -14.396 14.771 1.00 13.87 ? 41 VAL A CG2 1 ATOM 134 N N . ASN A 1 21 ? -12.166 -11.881 14.568 1.00 13.24 ? 42 ASN A N 1 ATOM 135 C CA . ASN A 1 21 ? -13.350 -11.362 13.894 1.00 12.96 ? 42 ASN A CA 1 ATOM 136 C C . ASN A 1 21 ? -12.954 -10.692 12.586 1.00 12.94 ? 42 ASN A C 1 ATOM 137 O O . ASN A 1 21 ? -11.865 -10.118 12.484 1.00 12.87 ? 42 ASN A O 1 ATOM 138 C CB . ASN A 1 21 ? -14.069 -10.334 14.771 1.00 12.90 ? 42 ASN A CB 1 ATOM 139 C CG . ASN A 1 21 ? -14.450 -10.882 16.135 1.00 12.91 ? 42 ASN A CG 1 ATOM 140 O OD1 . ASN A 1 21 ? -14.875 -12.026 16.264 1.00 13.06 ? 42 ASN A OD1 1 ATOM 141 N ND2 . ASN A 1 21 ? -14.308 -10.056 17.159 1.00 12.77 ? 42 ASN A ND2 1 ATOM 142 N N . PHE A 1 22 ? -13.847 -10.749 11.599 1.00 12.89 ? 43 PHE A N 1 ATOM 143 C CA . PHE A 1 22 ? -13.620 -10.120 10.298 1.00 12.94 ? 43 PHE A CA 1 ATOM 144 C C . PHE A 1 22 ? -14.646 -9.014 10.020 1.00 13.25 ? 43 PHE A C 1 ATOM 145 O O . PHE A 1 22 ? -15.808 -9.099 10.437 1.00 13.11 ? 43 PHE A O 1 ATOM 146 C CB . PHE A 1 22 ? -13.630 -11.184 9.198 1.00 12.74 ? 43 PHE A CB 1 ATOM 147 C CG . PHE A 1 22 ? -12.521 -12.193 9.333 1.00 12.72 ? 43 PHE A CG 1 ATOM 148 C CD1 . PHE A 1 22 ? -12.658 -13.292 10.176 1.00 12.78 ? 43 PHE A CD1 1 ATOM 149 C CD2 . PHE A 1 22 ? -11.323 -12.035 8.640 1.00 12.71 ? 43 PHE A CD2 1 ATOM 150 C CE1 . PHE A 1 22 ? -11.631 -14.219 10.310 1.00 12.66 ? 43 PHE A CE1 1 ATOM 151 C CE2 . PHE A 1 22 ? -10.294 -12.953 8.774 1.00 12.62 ? 43 PHE A CE2 1 ATOM 152 C CZ . PHE A 1 22 ? -10.448 -14.047 9.608 1.00 12.62 ? 43 PHE A CZ 1 ATOM 153 N N . TYR A 1 23 ? -14.201 -7.971 9.321 1.00 13.68 ? 44 TYR A N 1 ATOM 154 C CA . TYR A 1 23 ? -15.048 -6.817 9.018 1.00 14.00 ? 44 TYR A CA 1 ATOM 155 C C . TYR A 1 23 ? -14.949 -6.355 7.566 1.00 14.18 ? 44 TYR A C 1 ATOM 156 O O . TYR A 1 23 ? -13.885 -6.421 6.955 1.00 14.10 ? 44 TYR A O 1 ATOM 157 C CB . TYR A 1 23 ? -14.692 -5.656 9.944 1.00 14.09 ? 44 TYR A CB 1 ATOM 158 C CG . TYR A 1 23 ? -14.972 -5.946 11.396 1.00 14.24 ? 44 TYR A CG 1 ATOM 159 C CD1 . TYR A 1 23 ? -14.004 -6.526 12.206 1.00 14.27 ? 44 TYR A CD1 1 ATOM 160 C CD2 . TYR A 1 23 ? -16.212 -5.652 11.960 1.00 14.29 ? 44 TYR A CD2 1 ATOM 161 C CE1 . TYR A 1 23 ? -14.261 -6.802 13.538 1.00 14.36 ? 44 TYR A CE1 1 ATOM 162 C CE2 . TYR A 1 23 ? -16.476 -5.924 13.291 1.00 14.29 ? 44 TYR A CE2 1 ATOM 163 C CZ . TYR A 1 23 ? -15.497 -6.498 14.075 1.00 14.37 ? 44 TYR A CZ 1 ATOM 164 O OH . TYR A 1 23 ? -15.746 -6.769 15.403 1.00 14.82 ? 44 TYR A OH 1 ATOM 165 N N . LYS A 1 24 ? -16.078 -5.884 7.031 1.00 14.71 ? 45 LYS A N 1 ATOM 166 C CA . LYS A 1 24 ? -16.125 -5.227 5.722 1.00 14.88 ? 45 LYS A CA 1 ATOM 167 C C . LYS A 1 24 ? -15.056 -4.147 5.636 1.00 15.02 ? 45 LYS A C 1 ATOM 168 O O . LYS A 1 24 ? -14.938 -3.309 6.531 1.00 15.26 ? 45 LYS A O 1 ATOM 169 C CB . LYS A 1 24 ? -17.494 -4.570 5.475 1.00 15.06 ? 45 LYS A CB 1 ATOM 170 C CG . LYS A 1 24 ? -18.349 -5.229 4.398 1.00 15.37 ? 45 LYS A CG 1 ATOM 171 N N . TYR A 1 25 ? -14.269 -4.185 4.570 1.00 14.99 ? 46 TYR A N 1 ATOM 172 C CA . TYR A 1 25 ? -13.392 -3.076 4.241 1.00 14.95 ? 46 TYR A CA 1 ATOM 173 C C . TYR A 1 25 ? -13.353 -2.901 2.730 1.00 15.10 ? 46 TYR A C 1 ATOM 174 O O . TYR A 1 25 ? -13.278 -3.890 1.993 1.00 14.98 ? 46 TYR A O 1 ATOM 175 C CB . TYR A 1 25 ? -11.980 -3.284 4.799 1.00 14.73 ? 46 TYR A CB 1 ATOM 176 C CG . TYR A 1 25 ? -11.215 -1.985 4.867 1.00 14.41 ? 46 TYR A CG 1 ATOM 177 C CD1 . TYR A 1 25 ? -11.521 -1.034 5.837 1.00 14.22 ? 46 TYR A CD1 1 ATOM 178 C CD2 . TYR A 1 25 ? -10.217 -1.688 3.948 1.00 14.25 ? 46 TYR A CD2 1 ATOM 179 C CE1 . TYR A 1 25 ? -10.842 0.169 5.899 1.00 14.12 ? 46 TYR A CE1 1 ATOM 180 C CE2 . TYR A 1 25 ? -9.529 -0.485 4.008 1.00 14.15 ? 46 TYR A CE2 1 ATOM 181 C CZ . TYR A 1 25 ? -9.850 0.442 4.982 1.00 13.90 ? 46 TYR A CZ 1 ATOM 182 O OH . TYR A 1 25 ? -9.180 1.636 5.055 1.00 13.49 ? 46 TYR A OH 1 ATOM 183 N N . SER A 1 26 ? -13.401 -1.641 2.288 1.00 15.30 ? 47 SER A N 1 ATOM 184 C CA . SER A 1 26 ? -13.563 -1.307 0.872 1.00 15.35 ? 47 SER A CA 1 ATOM 185 C C . SER A 1 26 ? -12.261 -1.427 0.104 1.00 15.50 ? 47 SER A C 1 ATOM 186 O O . SER A 1 26 ? -11.203 -0.990 0.570 1.00 15.78 ? 47 SER A O 1 ATOM 187 C CB . SER A 1 26 ? -14.104 0.115 0.703 1.00 15.45 ? 47 SER A CB 1 ATOM 188 O OG . SER A 1 26 ? -15.486 0.184 1.003 1.00 15.72 ? 47 SER A OG 1 ATOM 189 N N . LEU A 1 27 ? -12.358 -2.003 -1.089 1.00 15.72 ? 48 LEU A N 1 ATOM 190 C CA . LEU A 1 27 ? -11.223 -2.110 -1.990 1.00 16.00 ? 48 LEU A CA 1 ATOM 191 C C . LEU A 1 27 ? -10.705 -0.713 -2.331 1.00 16.02 ? 48 LEU A C 1 ATOM 192 O O . LEU A 1 27 ? -11.467 0.148 -2.773 1.00 16.20 ? 48 LEU A O 1 ATOM 193 C CB . LEU A 1 27 ? -11.635 -2.858 -3.263 1.00 16.15 ? 48 LEU A CB 1 ATOM 194 C CG . LEU A 1 27 ? -10.528 -3.260 -4.241 1.00 16.22 ? 48 LEU A CG 1 ATOM 195 C CD1 . LEU A 1 27 ? -9.584 -4.282 -3.622 1.00 16.15 ? 48 LEU A CD1 1 ATOM 196 C CD2 . LEU A 1 27 ? -11.140 -3.800 -5.526 1.00 16.14 ? 48 LEU A CD2 1 ATOM 197 N N . GLN A 1 28 ? -9.414 -0.502 -2.082 1.00 16.02 ? 49 GLN A N 1 ATOM 198 C CA . GLN A 1 28 ? -8.707 0.769 -2.345 1.00 15.86 ? 49 GLN A CA 1 ATOM 199 C C . GLN A 1 28 ? -9.082 1.946 -1.429 1.00 15.50 ? 49 GLN A C 1 ATOM 200 O O . GLN A 1 28 ? -8.829 3.104 -1.769 1.00 15.28 ? 49 GLN A O 1 ATOM 201 C CB . GLN A 1 28 ? -8.794 1.154 -3.829 1.00 15.91 ? 49 GLN A CB 1 ATOM 202 C CG . GLN A 1 28 ? -8.157 0.111 -4.731 1.00 16.17 ? 49 GLN A CG 1 ATOM 203 C CD . GLN A 1 28 ? -8.283 0.436 -6.201 1.00 16.26 ? 49 GLN A CD 1 ATOM 204 O OE1 . GLN A 1 28 ? -9.118 -0.132 -6.898 1.00 16.74 ? 49 GLN A OE1 1 ATOM 205 N NE2 . GLN A 1 28 ? -7.454 1.352 -6.681 1.00 16.39 ? 49 GLN A NE2 1 ATOM 206 N N . ASP A 1 29 ? -9.645 1.647 -0.256 1.00 15.43 ? 50 ASP A N 1 ATOM 207 C CA . ASP A 1 29 ? -9.822 2.659 0.796 1.00 15.20 ? 50 ASP A CA 1 ATOM 208 C C . ASP A 1 29 ? -8.524 2.784 1.588 1.00 15.16 ? 50 ASP A C 1 ATOM 209 O O . ASP A 1 29 ? -8.289 2.036 2.540 1.00 14.78 ? 50 ASP A O 1 ATOM 210 C CB . ASP A 1 29 ? -10.971 2.288 1.736 1.00 15.04 ? 50 ASP A CB 1 ATOM 211 C CG . ASP A 1 29 ? -11.161 3.300 2.866 1.00 14.99 ? 50 ASP A CG 1 ATOM 212 O OD1 . ASP A 1 29 ? -10.365 4.258 2.970 1.00 14.68 ? 50 ASP A OD1 1 ATOM 213 O OD2 . ASP A 1 29 ? -12.114 3.125 3.659 1.00 14.97 ? 50 ASP A OD2 1 ATOM 214 N N . SER A 1 30 ? -7.680 3.735 1.203 1.00 15.34 ? 51 SER A N 1 ATOM 215 C CA . SER A 1 30 ? -6.394 3.897 1.872 1.00 15.45 ? 51 SER A CA 1 ATOM 216 C C . SER A 1 30 ? -6.399 5.052 2.883 1.00 15.43 ? 51 SER A C 1 ATOM 217 O O . SER A 1 30 ? -5.338 5.569 3.238 1.00 16.11 ? 51 SER A O 1 ATOM 218 C CB . SER A 1 30 ? -5.275 4.068 0.840 1.00 15.39 ? 51 SER A CB 1 ATOM 219 O OG . SER A 1 30 ? -5.383 5.317 0.186 1.00 15.74 ? 51 SER A OG 1 ATOM 220 N N . THR A 1 31 ? -7.582 5.443 3.361 1.00 15.08 ? 52 THR A N 1 ATOM 221 C CA . THR A 1 31 ? -7.691 6.553 4.316 1.00 14.80 ? 52 THR A CA 1 ATOM 222 C C . THR A 1 31 ? -8.337 6.131 5.649 1.00 14.66 ? 52 THR A C 1 ATOM 223 O O . THR A 1 31 ? -7.847 6.508 6.713 1.00 14.66 ? 52 THR A O 1 ATOM 224 C CB . THR A 1 31 ? -8.448 7.773 3.720 1.00 14.59 ? 52 THR A CB 1 ATOM 225 O OG1 . THR A 1 31 ? -9.804 7.783 4.169 1.00 14.40 ? 52 THR A OG1 1 ATOM 226 C CG2 . THR A 1 31 ? -8.429 7.761 2.200 1.00 14.56 ? 52 THR A CG2 1 ATOM 227 N N . THR A 1 32 ? -9.428 5.362 5.601 1.00 14.47 ? 53 THR A N 1 ATOM 228 C CA . THR A 1 32 ? -10.127 4.956 6.829 1.00 14.39 ? 53 THR A CA 1 ATOM 229 C C . THR A 1 32 ? -9.168 4.302 7.844 1.00 14.31 ? 53 THR A C 1 ATOM 230 O O . THR A 1 32 ? -9.181 4.651 9.028 1.00 13.69 ? 53 THR A O 1 ATOM 231 C CB . THR A 1 32 ? -11.314 4.004 6.537 1.00 14.37 ? 53 THR A CB 1 ATOM 232 O OG1 . THR A 1 32 ? -12.271 4.660 5.698 1.00 14.38 ? 53 THR A OG1 1 ATOM 233 C CG2 . THR A 1 32 ? -12.007 3.582 7.824 1.00 14.38 ? 53 THR A CG2 1 ATOM 234 N N . TYR A 1 33 ? -8.320 3.382 7.371 1.00 14.30 ? 54 TYR A N 1 ATOM 235 C CA . TYR A 1 33 ? -7.398 2.670 8.270 1.00 14.26 ? 54 TYR A CA 1 ATOM 236 C C . TYR A 1 33 ? -6.183 3.483 8.730 1.00 14.09 ? 54 TYR A C 1 ATOM 237 O O . TYR A 1 33 ? -5.298 2.945 9.400 1.00 14.05 ? 54 TYR A O 1 ATOM 238 C CB . TYR A 1 33 ? -6.950 1.311 7.692 1.00 14.38 ? 54 TYR A CB 1 ATOM 239 C CG . TYR A 1 33 ? -6.273 1.310 6.330 1.00 14.44 ? 54 TYR A CG 1 ATOM 240 C CD1 . TYR A 1 33 ? -5.466 2.366 5.902 1.00 14.41 ? 54 TYR A CD1 1 ATOM 241 C CD2 . TYR A 1 33 ? -6.410 0.211 5.484 1.00 14.51 ? 54 TYR A CD2 1 ATOM 242 C CE1 . TYR A 1 33 ? -4.848 2.337 4.663 1.00 14.32 ? 54 TYR A CE1 1 ATOM 243 C CE2 . TYR A 1 33 ? -5.793 0.173 4.245 1.00 14.52 ? 54 TYR A CE2 1 ATOM 244 C CZ . TYR A 1 33 ? -5.012 1.235 3.836 1.00 14.40 ? 54 TYR A CZ 1 ATOM 245 O OH . TYR A 1 33 ? -4.399 1.189 2.596 1.00 14.13 ? 54 TYR A OH 1 ATOM 246 N N . SER A 1 34 ? -6.147 4.767 8.374 1.00 13.96 ? 55 SER A N 1 ATOM 247 C CA . SER A 1 34 ? -5.122 5.682 8.868 1.00 13.98 ? 55 SER A CA 1 ATOM 248 C C . SER A 1 34 ? -5.639 6.539 10.035 1.00 13.91 ? 55 SER A C 1 ATOM 249 O O . SER A 1 34 ? -4.901 7.361 10.581 1.00 13.64 ? 55 SER A O 1 ATOM 250 C CB . SER A 1 34 ? -4.582 6.555 7.730 1.00 14.03 ? 55 SER A CB 1 ATOM 251 O OG . SER A 1 34 ? -3.616 5.840 6.971 1.00 14.26 ? 55 SER A OG 1 ATOM 252 N N . ASP A 1 35 ? -6.899 6.328 10.414 1.00 13.92 ? 56 ASP A N 1 ATOM 253 C CA . ASP A 1 35 ? -7.493 6.971 11.583 1.00 14.07 ? 56 ASP A CA 1 ATOM 254 C C . ASP A 1 35 ? -7.219 6.125 12.838 1.00 14.21 ? 56 ASP A C 1 ATOM 255 O O . ASP A 1 35 ? -7.582 4.949 12.873 1.00 14.22 ? 56 ASP A O 1 ATOM 256 C CB . ASP A 1 35 ? -9.001 7.127 11.372 1.00 14.09 ? 56 ASP A CB 1 ATOM 257 C CG . ASP A 1 35 ? -9.643 8.078 12.366 1.00 14.25 ? 56 ASP A CG 1 ATOM 258 O OD1 . ASP A 1 35 ? -9.309 8.027 13.569 1.00 14.18 ? 56 ASP A OD1 1 ATOM 259 O OD2 . ASP A 1 35 ? -10.501 8.876 11.939 1.00 14.54 ? 56 ASP A OD2 1 ATOM 260 N N . PRO A 1 36 ? -6.568 6.712 13.865 1.00 14.51 ? 57 PRO A N 1 ATOM 261 C CA . PRO A 1 36 ? -6.318 5.980 15.118 1.00 14.83 ? 57 PRO A CA 1 ATOM 262 C C . PRO A 1 36 ? -7.587 5.508 15.836 1.00 15.27 ? 57 PRO A C 1 ATOM 263 O O . PRO A 1 36 ? -7.562 4.485 16.525 1.00 15.28 ? 57 PRO A O 1 ATOM 264 C CB . PRO A 1 36 ? -5.571 7.005 15.984 1.00 14.79 ? 57 PRO A CB 1 ATOM 265 C CG . PRO A 1 36 ? -4.929 7.930 15.012 1.00 14.61 ? 57 PRO A CG 1 ATOM 266 C CD . PRO A 1 36 ? -5.885 8.021 13.856 1.00 14.53 ? 57 PRO A CD 1 ATOM 267 N N . GLN A 1 37 ? -8.679 6.254 15.677 1.00 15.77 ? 58 GLN A N 1 ATOM 268 C CA . GLN A 1 37 ? -9.963 5.891 16.276 1.00 16.09 ? 58 GLN A CA 1 ATOM 269 C C . GLN A 1 37 ? -10.552 4.678 15.554 1.00 15.94 ? 58 GLN A C 1 ATOM 270 O O . GLN A 1 37 ? -11.214 3.841 16.178 1.00 15.94 ? 58 GLN A O 1 ATOM 271 C CB . GLN A 1 37 ? -10.958 7.061 16.221 1.00 16.53 ? 58 GLN A CB 1 ATOM 272 C CG . GLN A 1 37 ? -10.479 8.351 16.875 1.00 17.09 ? 58 GLN A CG 1 ATOM 273 C CD . GLN A 1 37 ? -10.359 8.255 18.392 1.00 17.90 ? 58 GLN A CD 1 ATOM 274 O OE1 . GLN A 1 37 ? -11.302 7.837 19.081 1.00 18.32 ? 58 GLN A OE1 1 ATOM 275 N NE2 . GLN A 1 37 ? -9.200 8.658 18.926 1.00 18.20 ? 58 GLN A NE2 1 ATOM 276 N N . TYR A 1 38 ? -10.318 4.588 14.242 1.00 15.62 ? 59 TYR A N 1 ATOM 277 C CA . TYR A 1 38 ? -10.805 3.447 13.467 1.00 15.28 ? 59 TYR A CA 1 ATOM 278 C C . TYR A 1 38 ? -10.084 2.155 13.860 1.00 15.31 ? 59 TYR A C 1 ATOM 279 O O . TYR A 1 38 ? -10.725 1.128 14.077 1.00 14.95 ? 59 TYR A O 1 ATOM 280 C CB . TYR A 1 38 ? -10.687 3.678 11.954 1.00 15.10 ? 59 TYR A CB 1 ATOM 281 C CG . TYR A 1 38 ? -11.017 2.425 11.183 1.00 14.95 ? 59 TYR A CG 1 ATOM 282 C CD1 . TYR A 1 38 ? -12.335 2.104 10.855 1.00 14.80 ? 59 TYR A CD1 1 ATOM 283 C CD2 . TYR A 1 38 ? -10.012 1.517 10.839 1.00 14.93 ? 59 TYR A CD2 1 ATOM 284 C CE1 . TYR A 1 38 ? -12.639 0.930 10.174 1.00 14.74 ? 59 TYR A CE1 1 ATOM 285 C CE2 . TYR A 1 38 ? -10.305 0.342 10.166 1.00 14.88 ? 59 TYR A CE2 1 ATOM 286 C CZ . TYR A 1 38 ? -11.617 0.053 9.838 1.00 14.79 ? 59 TYR A CZ 1 ATOM 287 O OH . TYR A 1 38 ? -11.886 -1.108 9.167 1.00 14.95 ? 59 TYR A OH 1 ATOM 288 N N . MET A 1 39 ? -8.756 2.221 13.955 1.00 15.31 ? 60 MET A N 1 ATOM 289 C CA . MET A 1 39 ? -7.945 1.047 14.277 1.00 15.19 ? 60 MET A CA 1 ATOM 290 C C . MET A 1 39 ? -8.108 0.614 15.736 1.00 15.21 ? 60 MET A C 1 ATOM 291 O O . MET A 1 39 ? -7.960 -0.568 16.057 1.00 14.73 ? 60 MET A O 1 ATOM 292 C CB . MET A 1 39 ? -6.471 1.312 13.960 1.00 15.05 ? 60 MET A CB 1 ATOM 293 C CG . MET A 1 39 ? -6.192 1.550 12.484 1.00 14.93 ? 60 MET A CG 1 ATOM 294 S SD . MET A 1 39 ? -6.659 0.169 11.424 1.00 14.49 ? 60 MET A SD 1 ATOM 295 C CE . MET A 1 39 ? -5.387 -1.024 11.823 1.00 14.69 ? 60 MET A CE 1 ATOM 296 N N . ALA A 1 40 ? -8.426 1.568 16.607 1.00 15.45 ? 61 ALA A N 1 ATOM 297 C CA . ALA A 1 40 ? -8.680 1.265 18.018 1.00 15.65 ? 61 ALA A CA 1 ATOM 298 C C . ALA A 1 40 ? -10.006 0.545 18.215 1.00 15.70 ? 61 ALA A C 1 ATOM 299 O O . ALA A 1 40 ? -10.036 -0.486 18.883 1.00 15.82 ? 61 ALA A O 1 ATOM 300 C CB . ALA A 1 40 ? -8.648 2.533 18.861 1.00 15.60 ? 61 ALA A CB 1 ATOM 301 N N . TYR A 1 41 ? -11.090 1.078 17.637 1.00 15.91 ? 62 TYR A N 1 ATOM 302 C CA . TYR A 1 41 ? -12.446 0.560 17.919 1.00 15.92 ? 62 TYR A CA 1 ATOM 303 C C . TYR A 1 41 ? -13.549 0.780 16.863 1.00 16.09 ? 62 TYR A C 1 ATOM 304 O O . TYR A 1 41 ? -14.460 -0.049 16.775 1.00 15.97 ? 62 TYR A O 1 ATOM 305 C CB . TYR A 1 41 ? -12.941 1.112 19.257 1.00 15.95 ? 62 TYR A CB 1 ATOM 306 C CG . TYR A 1 41 ? -13.227 2.588 19.242 1.00 16.06 ? 62 TYR A CG 1 ATOM 307 C CD1 . TYR A 1 41 ? -12.205 3.508 19.433 1.00 16.28 ? 62 TYR A CD1 1 ATOM 308 C CD2 . TYR A 1 41 ? -14.520 3.070 19.032 1.00 16.25 ? 62 TYR A CD2 1 ATOM 309 C CE1 . TYR A 1 41 ? -12.452 4.869 19.421 1.00 16.47 ? 62 TYR A CE1 1 ATOM 310 C CE2 . TYR A 1 41 ? -14.784 4.434 19.015 1.00 16.37 ? 62 TYR A CE2 1 ATOM 311 C CZ . TYR A 1 41 ? -13.745 5.331 19.205 1.00 16.56 ? 62 TYR A CZ 1 ATOM 312 O OH . TYR A 1 41 ? -13.984 6.686 19.193 1.00 16.73 ? 62 TYR A OH 1 ATOM 313 N N . LYS A 1 42 ? -13.497 1.871 16.088 1.00 16.26 ? 63 LYS A N 1 ATOM 314 C CA . LYS A 1 42 ? -14.584 2.196 15.139 1.00 16.13 ? 63 LYS A CA 1 ATOM 315 C C . LYS A 1 42 ? -14.769 1.131 14.056 1.00 16.25 ? 63 LYS A C 1 ATOM 316 O O . LYS A 1 42 ? -15.819 1.087 13.415 1.00 16.44 ? 63 LYS A O 1 ATOM 317 C CB . LYS A 1 42 ? -14.379 3.560 14.459 1.00 16.20 ? 63 LYS A CB 1 ATOM 318 C CG . LYS A 1 42 ? -14.313 4.771 15.383 1.00 16.27 ? 63 LYS A CG 1 ATOM 319 C CD . LYS A 1 42 ? -15.651 5.485 15.492 1.00 16.37 ? 63 LYS A CD 1 ATOM 320 N N . TYR A 1 43 ? -13.757 0.288 13.836 1.00 16.27 ? 64 TYR A N 1 ATOM 321 C CA . TYR A 1 43 ? -13.909 -0.895 12.973 1.00 16.37 ? 64 TYR A CA 1 ATOM 322 C C . TYR A 1 43 ? -15.086 -1.787 13.394 1.00 16.58 ? 64 TYR A C 1 ATOM 323 O O . TYR A 1 43 ? -15.685 -2.450 12.552 1.00 16.59 ? 64 TYR A O 1 ATOM 324 C CB . TYR A 1 43 ? -12.619 -1.740 12.943 1.00 16.27 ? 64 TYR A CB 1 ATOM 325 C CG . TYR A 1 43 ? -12.250 -2.357 14.281 1.00 16.09 ? 64 TYR A CG 1 ATOM 326 C CD1 . TYR A 1 43 ? -12.822 -3.551 14.707 1.00 16.07 ? 64 TYR A CD1 1 ATOM 327 C CD2 . TYR A 1 43 ? -11.336 -1.739 15.121 1.00 16.00 ? 64 TYR A CD2 1 ATOM 328 C CE1 . TYR A 1 43 ? -12.494 -4.100 15.936 1.00 16.10 ? 64 TYR A CE1 1 ATOM 329 C CE2 . TYR A 1 43 ? -11.003 -2.283 16.342 1.00 15.84 ? 64 TYR A CE2 1 ATOM 330 C CZ . TYR A 1 43 ? -11.581 -3.458 16.744 1.00 15.91 ? 64 TYR A CZ 1 ATOM 331 O OH . TYR A 1 43 ? -11.238 -3.982 17.959 1.00 15.98 ? 64 TYR A OH 1 ATOM 332 N N . SER A 1 44 ? -15.396 -1.809 14.692 1.00 17.00 ? 65 SER A N 1 ATOM 333 C CA . SER A 1 44 ? -16.478 -2.642 15.227 1.00 17.70 ? 65 SER A CA 1 ATOM 334 C C . SER A 1 44 ? -17.872 -2.101 14.918 1.00 17.90 ? 65 SER A C 1 ATOM 335 O O . SER A 1 44 ? -18.863 -2.808 15.099 1.00 17.72 ? 65 SER A O 1 ATOM 336 C CB . SER A 1 44 ? -16.335 -2.804 16.744 1.00 17.95 ? 65 SER A CB 1 ATOM 337 O OG . SER A 1 44 ? -16.635 -1.589 17.421 1.00 18.24 ? 65 SER A OG 1 ATOM 338 N N . ASP A 1 45 ? -17.943 -0.847 14.483 1.00 18.43 ? 66 ASP A N 1 ATOM 339 C CA . ASP A 1 45 ? -19.202 -0.240 14.065 1.00 19.11 ? 66 ASP A CA 1 ATOM 340 C C . ASP A 1 45 ? -19.479 -0.468 12.575 1.00 19.20 ? 66 ASP A C 1 ATOM 341 O O . ASP A 1 45 ? -20.473 0.043 12.059 1.00 19.81 ? 66 ASP A O 1 ATOM 342 C CB . ASP A 1 45 ? -19.216 1.272 14.385 1.00 19.68 ? 66 ASP A CB 1 ATOM 343 C CG . ASP A 1 45 ? -19.269 1.568 15.900 1.00 20.30 ? 66 ASP A CG 1 ATOM 344 O OD1 . ASP A 1 45 ? -19.703 0.689 16.688 1.00 20.42 ? 66 ASP A OD1 1 ATOM 345 O OD2 . ASP A 1 45 ? -18.880 2.694 16.297 1.00 20.34 ? 66 ASP A OD2 1 ATOM 346 N N . THR A 1 46 ? -18.613 -1.219 11.886 1.00 18.94 ? 67 THR A N 1 ATOM 347 C CA . THR A 1 46 ? -18.864 -1.611 10.488 1.00 18.89 ? 67 THR A CA 1 ATOM 348 C C . THR A 1 46 ? -19.423 -3.040 10.438 1.00 18.69 ? 67 THR A C 1 ATOM 349 O O . THR A 1 46 ? -19.576 -3.682 11.476 1.00 18.54 ? 67 THR A O 1 ATOM 350 C CB . THR A 1 46 ? -17.604 -1.458 9.589 1.00 18.93 ? 67 THR A CB 1 ATOM 351 O OG1 . THR A 1 46 ? -16.539 -2.297 10.057 1.00 18.89 ? 67 THR A OG1 1 ATOM 352 C CG2 . THR A 1 46 ? -17.132 -0.007 9.567 1.00 18.82 ? 67 THR A CG2 1 ATOM 353 N N . LYS A 1 47 ? -19.747 -3.522 9.239 1.00 18.86 ? 68 LYS A N 1 ATOM 354 C CA . LYS A 1 47 ? -20.402 -4.827 9.083 1.00 19.14 ? 68 LYS A CA 1 ATOM 355 C C . LYS A 1 47 ? -19.464 -5.980 9.441 1.00 19.02 ? 68 LYS A C 1 ATOM 356 O O . LYS A 1 47 ? -18.447 -6.195 8.778 1.00 18.52 ? 68 LYS A O 1 ATOM 357 C CB . LYS A 1 47 ? -20.927 -5.015 7.654 1.00 19.35 ? 68 LYS A CB 1 ATOM 358 C CG . LYS A 1 47 ? -21.859 -6.212 7.479 1.00 19.66 ? 68 LYS A CG 1 ATOM 359 C CD . LYS A 1 47 ? -22.057 -6.577 6.011 1.00 19.96 ? 68 LYS A CD 1 ATOM 360 N N . LYS A 1 48 ? -19.819 -6.714 10.492 1.00 19.08 ? 69 LYS A N 1 ATOM 361 C CA . LYS A 1 48 ? -19.060 -7.883 10.900 1.00 19.51 ? 69 LYS A CA 1 ATOM 362 C C . LYS A 1 48 ? -19.416 -9.030 9.974 1.00 19.52 ? 69 LYS A C 1 ATOM 363 O O . LYS A 1 48 ? -20.591 -9.297 9.740 1.00 19.39 ? 69 LYS A O 1 ATOM 364 C CB . LYS A 1 48 ? -19.360 -8.258 12.353 1.00 19.79 ? 69 LYS A CB 1 ATOM 365 C CG . LYS A 1 48 ? -18.477 -9.376 12.889 1.00 20.03 ? 69 LYS A CG 1 ATOM 366 C CD . LYS A 1 48 ? -18.726 -9.643 14.367 1.00 20.26 ? 69 LYS A CD 1 ATOM 367 C CE . LYS A 1 48 ? -18.287 -11.054 14.740 1.00 20.35 ? 69 LYS A CE 1 ATOM 368 N NZ . LYS A 1 48 ? -18.172 -11.237 16.208 1.00 20.36 ? 69 LYS A NZ 1 ATOM 369 N N . LEU A 1 49 ? -18.393 -9.696 9.444 1.00 19.83 ? 70 LEU A N 1 ATOM 370 C CA . LEU A 1 49 ? -18.583 -10.775 8.475 1.00 19.94 ? 70 LEU A CA 1 ATOM 371 C C . LEU A 1 49 ? -18.632 -12.138 9.143 1.00 19.73 ? 70 LEU A C 1 ATOM 372 O O . LEU A 1 49 ? -19.369 -13.015 8.701 1.00 20.16 ? 70 LEU A O 1 ATOM 373 C CB . LEU A 1 49 ? -17.463 -10.758 7.438 1.00 20.18 ? 70 LEU A CB 1 ATOM 374 C CG . LEU A 1 49 ? -17.468 -9.508 6.559 1.00 20.35 ? 70 LEU A CG 1 ATOM 375 C CD1 . LEU A 1 49 ? -16.120 -9.322 5.878 1.00 20.35 ? 70 LEU A CD1 1 ATOM 376 C CD2 . LEU A 1 49 ? -18.604 -9.572 5.541 1.00 20.27 ? 70 LEU A CD2 1 ATOM 377 N N . GLY A 1 50 ? -17.835 -12.313 10.192 1.00 19.33 ? 71 GLY A N 1 ATOM 378 C CA . GLY A 1 50 ? -17.811 -13.563 10.941 1.00 18.82 ? 71 GLY A CA 1 ATOM 379 C C . GLY A 1 50 ? -16.601 -13.656 11.850 1.00 18.44 ? 71 GLY A C 1 ATOM 380 O O . GLY A 1 50 ? -15.920 -12.661 12.095 1.00 17.88 ? 71 GLY A O 1 ATOM 381 N N . SER A 1 51 ? -16.335 -14.860 12.345 1.00 18.11 ? 72 SER A N 1 ATOM 382 C CA . SER A 1 51 ? -15.223 -15.073 13.252 1.00 17.87 ? 72 SER A CA 1 ATOM 383 C C . SER A 1 51 ? -14.772 -16.532 13.318 1.00 17.63 ? 72 SER A C 1 ATOM 384 O O . SER A 1 51 ? -15.532 -17.453 13.019 1.00 17.46 ? 72 SER A O 1 ATOM 385 C CB . SER A 1 51 ? -15.608 -14.604 14.654 1.00 17.99 ? 72 SER A CB 1 ATOM 386 O OG . SER A 1 51 ? -16.602 -15.444 15.211 1.00 18.07 ? 72 SER A OG 1 ATOM 387 N N . VAL A 1 52 ? -13.522 -16.724 13.720 1.00 17.15 ? 73 VAL A N 1 ATOM 388 C CA . VAL A 1 52 ? -12.989 -18.055 13.992 1.00 16.72 ? 73 VAL A CA 1 ATOM 389 C C . VAL A 1 52 ? -12.297 -18.030 15.349 1.00 16.34 ? 73 VAL A C 1 ATOM 390 O O . VAL A 1 52 ? -11.833 -16.980 15.788 1.00 16.09 ? 73 VAL A O 1 ATOM 391 C CB . VAL A 1 52 ? -12.021 -18.526 12.881 1.00 16.76 ? 73 VAL A CB 1 ATOM 392 C CG1 . VAL A 1 52 ? -12.794 -18.821 11.609 1.00 16.72 ? 73 VAL A CG1 1 ATOM 393 C CG2 . VAL A 1 52 ? -10.925 -17.496 12.613 1.00 16.71 ? 73 VAL A CG2 1 ATOM 394 N N . SER A 1 53 ? -12.243 -19.177 16.018 1.00 16.10 ? 74 SER A N 1 ATOM 395 C CA . SER A 1 53 ? -11.604 -19.260 17.331 1.00 16.13 ? 74 SER A CA 1 ATOM 396 C C . SER A 1 53 ? -10.382 -20.173 17.321 1.00 15.69 ? 74 SER A C 1 ATOM 397 O O . SER A 1 53 ? -10.071 -20.802 16.319 1.00 15.60 ? 74 SER A O 1 ATOM 398 C CB . SER A 1 53 ? -12.615 -19.727 18.377 1.00 16.40 ? 74 SER A CB 1 ATOM 399 O OG . SER A 1 53 ? -13.088 -21.024 18.072 1.00 16.88 ? 74 SER A OG 1 ATOM 400 N N . GLY A 1 54 ? -9.672 -20.208 18.439 1.00 15.73 ? 75 GLY A N 1 ATOM 401 C CA . GLY A 1 54 ? -8.537 -21.104 18.609 1.00 15.88 ? 75 GLY A CA 1 ATOM 402 C C . GLY A 1 54 ? -7.354 -20.865 17.692 1.00 16.24 ? 75 GLY A C 1 ATOM 403 O O . GLY A 1 54 ? -6.589 -21.789 17.434 1.00 16.93 ? 75 GLY A O 1 ATOM 404 N N . GLN A 1 55 ? -7.185 -19.632 17.215 1.00 16.45 ? 76 GLN A N 1 ATOM 405 C CA . GLN A 1 55 ? -6.089 -19.295 16.299 1.00 16.53 ? 76 GLN A CA 1 ATOM 406 C C . GLN A 1 55 ? -4.765 -19.021 17.029 1.00 16.56 ? 76 GLN A C 1 ATOM 407 O O . GLN A 1 55 ? -4.677 -18.117 17.861 1.00 16.31 ? 76 GLN A O 1 ATOM 408 C CB . GLN A 1 55 ? -6.474 -18.093 15.434 1.00 16.70 ? 76 GLN A CB 1 ATOM 409 C CG . GLN A 1 55 ? -7.722 -18.318 14.586 1.00 16.84 ? 76 GLN A CG 1 ATOM 410 C CD . GLN A 1 55 ? -7.604 -19.528 13.668 1.00 16.74 ? 76 GLN A CD 1 ATOM 411 O OE1 . GLN A 1 55 ? -6.646 -19.649 12.908 1.00 16.53 ? 76 GLN A OE1 1 ATOM 412 N NE2 . GLN A 1 55 ? -8.578 -20.429 13.741 1.00 16.75 ? 76 GLN A NE2 1 ATOM 413 N N . THR A 1 56 ? -3.744 -19.811 16.706 1.00 16.79 ? 77 THR A N 1 ATOM 414 C CA . THR A 1 56 ? -2.435 -19.718 17.359 1.00 17.15 ? 77 THR A CA 1 ATOM 415 C C . THR A 1 56 ? -1.332 -19.168 16.455 1.00 17.32 ? 77 THR A C 1 ATOM 416 O O . THR A 1 56 ? -0.298 -18.707 16.943 1.00 16.95 ? 77 THR A O 1 ATOM 417 C CB . THR A 1 56 ? -1.996 -21.089 17.905 1.00 17.27 ? 77 THR A CB 1 ATOM 418 O OG1 . THR A 1 56 ? -2.036 -22.069 16.861 1.00 17.02 ? 77 THR A OG1 1 ATOM 419 C CG2 . THR A 1 56 ? -2.914 -21.517 19.044 1.00 17.42 ? 77 THR A CG2 1 ATOM 420 N N . HIS A 1 57 ? -1.553 -19.237 15.146 1.00 17.90 ? 78 HIS A N 1 ATOM 421 C CA . HIS A 1 57 ? -0.664 -18.633 14.162 1.00 18.50 ? 78 HIS A CA 1 ATOM 422 C C . HIS A 1 57 ? -1.158 -17.225 13.862 1.00 18.43 ? 78 HIS A C 1 ATOM 423 O O . HIS A 1 57 ? -2.212 -17.055 13.248 1.00 18.45 ? 78 HIS A O 1 ATOM 424 C CB . HIS A 1 57 ? -0.645 -19.480 12.889 1.00 19.03 ? 78 HIS A CB 1 ATOM 425 C CG . HIS A 1 57 ? -0.083 -20.852 13.093 1.00 19.39 ? 78 HIS A CG 1 ATOM 426 N ND1 . HIS A 1 57 ? 1.172 -21.215 12.653 1.00 19.85 ? 78 HIS A ND1 1 ATOM 427 C CD2 . HIS A 1 57 ? -0.596 -21.943 13.707 1.00 19.79 ? 78 HIS A CD2 1 ATOM 428 C CE1 . HIS A 1 57 ? 1.406 -22.473 12.983 1.00 19.96 ? 78 HIS A CE1 1 ATOM 429 N NE2 . HIS A 1 57 ? 0.349 -22.938 13.622 1.00 20.03 ? 78 HIS A NE2 1 ATOM 430 N N . LEU A 1 58 ? -0.395 -16.222 14.294 1.00 18.37 ? 79 LEU A N 1 ATOM 431 C CA . LEU A 1 58 ? -0.856 -14.830 14.275 1.00 18.36 ? 79 LEU A CA 1 ATOM 432 C C . LEU A 1 58 ? -0.440 -14.036 13.044 1.00 18.26 ? 79 LEU A C 1 ATOM 433 O O . LEU A 1 58 ? -0.985 -12.960 12.799 1.00 18.64 ? 79 LEU A O 1 ATOM 434 C CB . LEU A 1 58 ? -0.360 -14.080 15.520 1.00 18.39 ? 79 LEU A CB 1 ATOM 435 C CG . LEU A 1 58 ? -0.590 -14.708 16.902 1.00 18.20 ? 79 LEU A CG 1 ATOM 436 C CD1 . LEU A 1 58 ? -0.413 -13.644 17.976 1.00 18.18 ? 79 LEU A CD1 1 ATOM 437 C CD2 . LEU A 1 58 ? -1.957 -15.365 17.015 1.00 18.07 ? 79 LEU A CD2 1 ATOM 438 N N . SER A 1 59 ? 0.531 -14.536 12.288 1.00 18.03 ? 80 SER A N 1 ATOM 439 C CA . SER A 1 59 ? 1.029 -13.807 11.124 1.00 17.95 ? 80 SER A CA 1 ATOM 440 C C . SER A 1 59 ? 0.047 -13.865 9.947 1.00 17.86 ? 80 SER A C 1 ATOM 441 O O . SER A 1 59 ? -0.573 -14.898 9.684 1.00 17.35 ? 80 SER A O 1 ATOM 442 C CB . SER A 1 59 ? 2.399 -14.337 10.693 1.00 17.85 ? 80 SER A CB 1 ATOM 443 O OG . SER A 1 59 ? 3.349 -14.178 11.731 1.00 17.94 ? 80 SER A OG 1 ATOM 444 N N . ILE A 1 60 ? -0.085 -12.740 9.251 1.00 17.93 ? 81 ILE A N 1 ATOM 445 C CA . ILE A 1 60 ? -0.898 -12.662 8.047 1.00 18.12 ? 81 ILE A CA 1 ATOM 446 C C . ILE A 1 60 ? 0.022 -12.698 6.829 1.00 18.79 ? 81 ILE A C 1 ATOM 447 O O . ILE A 1 60 ? 0.940 -11.885 6.712 1.00 18.84 ? 81 ILE A O 1 ATOM 448 C CB . ILE A 1 60 ? -1.766 -11.390 8.047 1.00 17.56 ? 81 ILE A CB 1 ATOM 449 C CG1 . ILE A 1 60 ? -2.821 -11.500 9.152 1.00 17.48 ? 81 ILE A CG1 1 ATOM 450 C CG2 . ILE A 1 60 ? -2.431 -11.190 6.690 1.00 17.46 ? 81 ILE A CG2 1 ATOM 451 C CD1 . ILE A 1 60 ? -3.567 -10.215 9.434 1.00 17.39 ? 81 ILE A CD1 1 ATOM 452 N N . TYR A 1 61 ? -0.215 -13.661 5.942 1.00 19.71 ? 82 TYR A N 1 ATOM 453 C CA . TYR A 1 61 ? 0.529 -13.765 4.692 1.00 20.80 ? 82 TYR A CA 1 ATOM 454 C C . TYR A 1 61 ? -0.433 -14.090 3.560 1.00 21.28 ? 82 TYR A C 1 ATOM 455 O O . TYR A 1 61 ? -0.987 -15.187 3.519 1.00 21.42 ? 82 TYR A O 1 ATOM 456 C CB . TYR A 1 61 ? 1.571 -14.888 4.758 1.00 21.23 ? 82 TYR A CB 1 ATOM 457 C CG . TYR A 1 61 ? 2.638 -14.769 5.826 1.00 21.42 ? 82 TYR A CG 1 ATOM 458 C CD1 . TYR A 1 61 ? 3.546 -13.719 5.820 1.00 21.77 ? 82 TYR A CD1 1 ATOM 459 C CD2 . TYR A 1 61 ? 2.775 -15.749 6.810 1.00 21.71 ? 82 TYR A CD2 1 ATOM 460 C CE1 . TYR A 1 61 ? 4.540 -13.626 6.780 1.00 22.22 ? 82 TYR A CE1 1 ATOM 461 C CE2 . TYR A 1 61 ? 3.763 -15.665 7.775 1.00 21.79 ? 82 TYR A CE2 1 ATOM 462 C CZ . TYR A 1 61 ? 4.644 -14.603 7.757 1.00 22.34 ? 82 TYR A CZ 1 ATOM 463 O OH . TYR A 1 61 ? 5.634 -14.513 8.715 1.00 23.26 ? 82 TYR A OH 1 ATOM 464 N N . TYR A 1 62 ? -0.633 -13.142 2.650 1.00 22.35 ? 83 TYR A N 1 ATOM 465 C CA . TYR A 1 62 ? -1.388 -13.398 1.424 1.00 23.57 ? 83 TYR A CA 1 ATOM 466 C C . TYR A 1 62 ? -0.856 -12.582 0.246 1.00 24.85 ? 83 TYR A C 1 ATOM 467 O O . TYR A 1 62 ? -0.423 -11.442 0.404 1.00 24.90 ? 83 TYR A O 1 ATOM 468 C CB . TYR A 1 62 ? -2.882 -13.106 1.622 1.00 23.69 ? 83 TYR A CB 1 ATOM 469 C CG . TYR A 1 62 ? -3.709 -13.339 0.374 1.00 23.98 ? 83 TYR A CG 1 ATOM 470 C CD1 . TYR A 1 62 ? -4.049 -14.631 -0.024 1.00 24.28 ? 83 TYR A CD1 1 ATOM 471 C CD2 . TYR A 1 62 ? -4.127 -12.275 -0.425 1.00 24.07 ? 83 TYR A CD2 1 ATOM 472 C CE1 . TYR A 1 62 ? -4.792 -14.861 -1.171 1.00 24.38 ? 83 TYR A CE1 1 ATOM 473 C CE2 . TYR A 1 62 ? -4.878 -12.495 -1.572 1.00 24.45 ? 83 TYR A CE2 1 ATOM 474 C CZ . TYR A 1 62 ? -5.206 -13.790 -1.942 1.00 24.60 ? 83 TYR A CZ 1 ATOM 475 O OH . TYR A 1 62 ? -5.948 -14.026 -3.084 1.00 25.74 ? 83 TYR A OH 1 ATOM 476 N N . GLY A 1 63 ? -0.892 -13.190 -0.931 1.00 27.03 ? 84 GLY A N 1 ATOM 477 C CA . GLY A 1 63 ? -0.598 -12.508 -2.184 1.00 29.28 ? 84 GLY A CA 1 ATOM 478 C C . GLY A 1 63 ? -1.531 -13.062 -3.245 1.00 31.80 ? 84 GLY A C 1 ATOM 479 O O . GLY A 1 63 ? -1.681 -14.282 -3.340 1.00 32.48 ? 84 GLY A O 1 ATOM 480 N N . PRO A 1 64 ? -2.187 -12.184 -4.030 1.00 34.74 ? 85 PRO A N 1 ATOM 481 C CA . PRO A 1 64 ? -3.052 -12.680 -5.109 1.00 37.43 ? 85 PRO A CA 1 ATOM 482 C C . PRO A 1 64 ? -2.261 -13.130 -6.349 1.00 40.74 ? 85 PRO A C 1 ATOM 483 O O . PRO A 1 64 ? -1.025 -13.153 -6.321 1.00 41.31 ? 85 PRO A O 1 ATOM 484 C CB . PRO A 1 64 ? -3.945 -11.469 -5.443 1.00 36.53 ? 85 PRO A CB 1 ATOM 485 C CG . PRO A 1 64 ? -3.583 -10.389 -4.477 1.00 35.49 ? 85 PRO A CG 1 ATOM 486 C CD . PRO A 1 64 ? -2.229 -10.716 -3.938 1.00 34.99 ? 85 PRO A CD 1 ATOM 487 N N . ASN A 1 65 ? -2.970 -13.479 -7.423 1.00 44.53 ? 86 ASN A N 1 ATOM 488 C CA . ASN A 1 65 ? -2.319 -13.852 -8.698 1.00 48.32 ? 86 ASN A CA 1 ATOM 489 C C . ASN A 1 65 ? -1.601 -12.696 -9.425 1.00 51.25 ? 86 ASN A C 1 ATOM 490 O O . ASN A 1 65 ? -0.899 -12.925 -10.416 1.00 49.84 ? 86 ASN A O 1 ATOM 491 C CB . ASN A 1 65 ? -3.303 -14.563 -9.649 1.00 48.71 ? 86 ASN A CB 1 ATOM 492 C CG . ASN A 1 65 ? -4.594 -13.786 -9.867 1.00 49.41 ? 86 ASN A CG 1 ATOM 493 O OD1 . ASN A 1 65 ? -4.585 -12.568 -10.069 1.00 49.69 ? 86 ASN A OD1 1 ATOM 494 N ND2 . ASN A 1 65 ? -5.716 -14.496 -9.831 1.00 49.06 ? 86 ASN A ND2 1 ATOM 495 N N . THR A 1 66 ? -1.801 -11.466 -8.940 1.00 55.48 ? 87 THR A N 1 ATOM 496 C CA . THR A 1 66 ? -1.031 -10.285 -9.365 1.00 58.94 ? 87 THR A CA 1 ATOM 497 C C . THR A 1 66 ? -1.315 -9.814 -10.799 1.00 62.39 ? 87 THR A C 1 ATOM 498 O O . THR A 1 66 ? -0.670 -8.877 -11.280 1.00 63.19 ? 87 THR A O 1 ATOM 499 C CB . THR A 1 66 ? 0.490 -10.508 -9.199 1.00 58.59 ? 87 THR A CB 1 ATOM 500 N N . ALA A 1 67 ? -2.279 -10.446 -11.470 1.00 64.70 ? 88 ALA A N 1 ATOM 501 C CA . ALA A 1 67 ? -2.655 -10.064 -12.829 1.00 66.57 ? 88 ALA A CA 1 ATOM 502 C C . ALA A 1 67 ? -3.411 -8.736 -12.820 1.00 68.21 ? 88 ALA A C 1 ATOM 503 O O . ALA A 1 67 ? -3.344 -7.972 -13.785 1.00 68.52 ? 88 ALA A O 1 ATOM 504 C CB . ALA A 1 67 ? -3.501 -11.153 -13.474 1.00 67.36 ? 88 ALA A CB 1 ATOM 505 N N . PHE A 1 68 ? -4.131 -8.476 -11.728 1.00 69.54 ? 89 PHE A N 1 ATOM 506 C CA . PHE A 1 68 ? -4.835 -7.209 -11.528 1.00 69.45 ? 89 PHE A CA 1 ATOM 507 C C . PHE A 1 68 ? -4.685 -6.738 -10.082 1.00 68.47 ? 89 PHE A C 1 ATOM 508 O O . PHE A 1 68 ? -5.153 -7.405 -9.158 1.00 69.67 ? 89 PHE A O 1 ATOM 509 C CB . PHE A 1 68 ? -6.321 -7.369 -11.867 1.00 68.43 ? 89 PHE A CB 1 ATOM 510 N N . TRP A 1 69 ? -4.036 -5.589 -9.893 1.00 65.96 ? 90 TRP A N 1 ATOM 511 C CA . TRP A 1 69 ? -3.895 -4.977 -8.564 1.00 63.15 ? 90 TRP A CA 1 ATOM 512 C C . TRP A 1 69 ? -5.013 -3.961 -8.281 1.00 59.24 ? 90 TRP A C 1 ATOM 513 O O . TRP A 1 69 ? -4.817 -3.007 -7.524 1.00 59.06 ? 90 TRP A O 1 ATOM 514 C CB . TRP A 1 69 ? -2.526 -4.299 -8.439 1.00 64.28 ? 90 TRP A CB 1 ATOM 515 N N . ASN A 1 70 ? -6.178 -4.176 -8.894 1.00 54.24 ? 91 ASN A N 1 ATOM 516 C CA . ASN A 1 70 ? -7.337 -3.289 -8.740 1.00 50.59 ? 91 ASN A CA 1 ATOM 517 C C . ASN A 1 70 ? -8.675 -4.045 -8.638 1.00 47.00 ? 91 ASN A C 1 ATOM 518 O O . ASN A 1 70 ? -9.749 -3.455 -8.796 1.00 46.38 ? 91 ASN A O 1 ATOM 519 C CB . ASN A 1 70 ? -7.367 -2.242 -9.873 1.00 50.80 ? 91 ASN A CB 1 ATOM 520 C CG . ASN A 1 70 ? -7.817 -2.812 -11.220 1.00 50.71 ? 91 ASN A CG 1 ATOM 521 O OD1 . ASN A 1 70 ? -8.347 -2.079 -12.056 1.00 50.89 ? 91 ASN A OD1 1 ATOM 522 N ND2 . ASN A 1 70 ? -7.603 -4.105 -11.441 1.00 50.02 ? 91 ASN A ND2 1 ATOM 523 N N . THR A 1 71 ? -8.590 -5.349 -8.371 1.00 42.61 ? 92 THR A N 1 ATOM 524 C CA . THR A 1 71 ? -9.755 -6.194 -8.121 1.00 39.30 ? 92 THR A CA 1 ATOM 525 C C . THR A 1 71 ? -9.551 -6.960 -6.822 1.00 36.56 ? 92 THR A C 1 ATOM 526 O O . THR A 1 71 ? -8.417 -7.195 -6.393 1.00 35.17 ? 92 THR A O 1 ATOM 527 C CB . THR A 1 71 ? -9.981 -7.220 -9.252 1.00 38.96 ? 92 THR A CB 1 ATOM 528 O OG1 . THR A 1 71 ? -8.717 -7.677 -9.748 1.00 38.08 ? 92 THR A OG1 1 ATOM 529 C CG2 . THR A 1 71 ? -10.786 -6.608 -10.390 1.00 39.23 ? 92 THR A CG2 1 ATOM 530 N N . ALA A 1 72 ? -10.657 -7.348 -6.202 1.00 34.22 ? 93 ALA A N 1 ATOM 531 C CA . ALA A 1 72 ? -10.607 -8.193 -5.021 1.00 33.02 ? 93 ALA A CA 1 ATOM 532 C C . ALA A 1 72 ? -10.183 -9.609 -5.417 1.00 31.32 ? 93 ALA A C 1 ATOM 533 O O . ALA A 1 72 ? -10.277 -9.989 -6.586 1.00 30.95 ? 93 ALA A O 1 ATOM 534 C CB . ALA A 1 72 ? -11.963 -8.212 -4.327 1.00 33.36 ? 93 ALA A CB 1 ATOM 535 N N . SER A 1 73 ? -9.694 -10.373 -4.445 1.00 29.32 ? 94 SER A N 1 ATOM 536 C CA . SER A 1 73 ? -9.371 -11.782 -4.654 1.00 28.24 ? 94 SER A CA 1 ATOM 537 C C . SER A 1 73 ? -9.741 -12.546 -3.400 1.00 26.83 ? 94 SER A C 1 ATOM 538 O O . SER A 1 73 ? -9.441 -12.102 -2.293 1.00 26.80 ? 94 SER A O 1 ATOM 539 C CB . SER A 1 73 ? -7.887 -11.963 -4.964 1.00 28.54 ? 94 SER A CB 1 ATOM 540 O OG . SER A 1 73 ? -7.516 -11.187 -6.091 1.00 29.66 ? 94 SER A OG 1 ATOM 541 N N . TRP A 1 74 ? -10.391 -13.693 -3.576 1.00 25.12 ? 95 TRP A N 1 ATOM 542 C CA . TRP A 1 74 ? -10.940 -14.446 -2.456 1.00 24.03 ? 95 TRP A CA 1 ATOM 543 C C . TRP A 1 74 ? -10.027 -15.589 -2.032 1.00 23.36 ? 95 TRP A C 1 ATOM 544 O O . TRP A 1 74 ? -9.353 -16.188 -2.864 1.00 23.47 ? 95 TRP A O 1 ATOM 545 C CB . TRP A 1 74 ? -12.314 -14.996 -2.827 1.00 23.68 ? 95 TRP A CB 1 ATOM 546 C CG . TRP A 1 74 ? -13.351 -13.940 -3.025 1.00 23.42 ? 95 TRP A CG 1 ATOM 547 C CD1 . TRP A 1 74 ? -13.519 -13.160 -4.125 1.00 23.65 ? 95 TRP A CD1 1 ATOM 548 C CD2 . TRP A 1 74 ? -14.373 -13.555 -2.098 1.00 23.21 ? 95 TRP A CD2 1 ATOM 549 N NE1 . TRP A 1 74 ? -14.585 -12.308 -3.944 1.00 23.79 ? 95 TRP A NE1 1 ATOM 550 C CE2 . TRP A 1 74 ? -15.126 -12.532 -2.707 1.00 23.41 ? 95 TRP A CE2 1 ATOM 551 C CE3 . TRP A 1 74 ? -14.727 -13.978 -0.813 1.00 23.47 ? 95 TRP A CE3 1 ATOM 552 C CZ2 . TRP A 1 74 ? -16.210 -11.925 -2.076 1.00 23.41 ? 95 TRP A CZ2 1 ATOM 553 C CZ3 . TRP A 1 74 ? -15.806 -13.371 -0.184 1.00 23.45 ? 95 TRP A CZ3 1 ATOM 554 C CH2 . TRP A 1 74 ? -16.535 -12.359 -0.818 1.00 23.39 ? 95 TRP A CH2 1 ATOM 555 N N . SER A 1 75 ? -10.023 -15.891 -0.734 1.00 22.81 ? 96 SER A N 1 ATOM 556 C CA . SER A 1 75 ? -9.180 -16.956 -0.174 1.00 22.33 ? 96 SER A CA 1 ATOM 557 C C . SER A 1 75 ? -9.563 -17.266 1.274 1.00 21.67 ? 96 SER A C 1 ATOM 558 O O . SER A 1 75 ? -10.215 -16.458 1.932 1.00 21.73 ? 96 SER A O 1 ATOM 559 C CB . SER A 1 75 ? -7.702 -16.547 -0.231 1.00 22.49 ? 96 SER A CB 1 ATOM 560 O OG . SER A 1 75 ? -6.872 -17.479 0.444 1.00 22.70 ? 96 SER A OG 1 ATOM 561 N N . SER A 1 76 ? -9.153 -18.440 1.752 1.00 20.98 ? 97 SER A N 1 ATOM 562 C CA . SER A 1 76 ? -9.278 -18.818 3.164 1.00 20.72 ? 97 SER A CA 1 ATOM 563 C C . SER A 1 76 ? -7.942 -18.681 3.914 1.00 20.42 ? 97 SER A C 1 ATOM 564 O O . SER A 1 76 ? -7.857 -18.991 5.105 1.00 20.14 ? 97 SER A O 1 ATOM 565 C CB . SER A 1 76 ? -9.784 -20.258 3.292 1.00 20.74 ? 97 SER A CB 1 ATOM 566 O OG . SER A 1 76 ? -10.960 -20.458 2.528 1.00 21.14 ? 97 SER A OG 1 ATOM 567 N N . ASP A 1 77 ? -6.910 -18.204 3.218 1.00 20.32 ? 98 ASP A N 1 ATOM 568 C CA . ASP A 1 77 ? -5.565 -18.054 3.797 1.00 20.20 ? 98 ASP A CA 1 ATOM 569 C C . ASP A 1 77 ? -5.511 -17.239 5.098 1.00 19.40 ? 98 ASP A C 1 ATOM 570 O O . ASP A 1 77 ? -4.585 -17.417 5.881 1.00 19.87 ? 98 ASP A O 1 ATOM 571 C CB . ASP A 1 77 ? -4.592 -17.446 2.768 1.00 20.54 ? 98 ASP A CB 1 ATOM 572 C CG . ASP A 1 77 ? -4.209 -18.426 1.650 1.00 20.85 ? 98 ASP A CG 1 ATOM 573 O OD1 . ASP A 1 77 ? -4.422 -19.651 1.808 1.00 20.66 ? 98 ASP A OD1 1 ATOM 574 O OD2 . ASP A 1 77 ? -3.690 -17.960 0.607 1.00 21.04 ? 98 ASP A OD2 1 ATOM 575 N N . LEU A 1 78 ? -6.472 -16.347 5.327 1.00 18.40 ? 99 LEU A N 1 ATOM 576 C CA . LEU A 1 78 ? -6.552 -15.640 6.608 1.00 17.76 ? 99 LEU A CA 1 ATOM 577 C C . LEU A 1 78 ? -7.342 -16.458 7.626 1.00 17.21 ? 99 LEU A C 1 ATOM 578 O O . LEU A 1 78 ? -8.581 -16.391 7.685 1.00 16.93 ? 99 LEU A O 1 ATOM 579 C CB . LEU A 1 78 ? -7.170 -14.244 6.459 1.00 17.67 ? 99 LEU A CB 1 ATOM 580 C CG . LEU A 1 78 ? -6.485 -13.249 5.517 1.00 17.73 ? 99 LEU A CG 1 ATOM 581 C CD1 . LEU A 1 78 ? -6.900 -11.826 5.871 1.00 17.69 ? 99 LEU A CD1 1 ATOM 582 C CD2 . LEU A 1 78 ? -4.969 -13.381 5.543 1.00 17.81 ? 99 LEU A CD2 1 ATOM 583 N N . PHE A 1 79 ? -6.599 -17.244 8.406 1.00 16.61 ? 100 PHE A N 1 ATOM 584 C CA . PHE A 1 79 ? -7.125 -17.979 9.559 1.00 16.25 ? 100 PHE A CA 1 ATOM 585 C C . PHE A 1 79 ? -8.232 -18.979 9.228 1.00 15.78 ? 100 PHE A C 1 ATOM 586 O O . PHE A 1 79 ? -9.058 -19.294 10.086 1.00 15.65 ? 100 PHE A O 1 ATOM 587 C CB . PHE A 1 79 ? -7.611 -16.992 10.628 1.00 16.45 ? 100 PHE A CB 1 ATOM 588 C CG . PHE A 1 79 ? -6.597 -15.945 10.981 1.00 16.51 ? 100 PHE A CG 1 ATOM 589 C CD1 . PHE A 1 79 ? -5.521 -16.256 11.807 1.00 16.53 ? 100 PHE A CD1 1 ATOM 590 C CD2 . PHE A 1 79 ? -6.707 -14.656 10.480 1.00 16.58 ? 100 PHE A CD2 1 ATOM 591 C CE1 . PHE A 1 79 ? -4.576 -15.301 12.121 1.00 16.63 ? 100 PHE A CE1 1 ATOM 592 C CE2 . PHE A 1 79 ? -5.764 -13.695 10.794 1.00 16.73 ? 100 PHE A CE2 1 ATOM 593 C CZ . PHE A 1 79 ? -4.698 -14.018 11.616 1.00 16.78 ? 100 PHE A CZ 1 ATOM 594 N N . GLY A 1 80 ? -8.235 -19.489 7.998 1.00 15.35 ? 101 GLY A N 1 ATOM 595 C CA . GLY A 1 80 ? -9.260 -20.435 7.554 1.00 15.24 ? 101 GLY A CA 1 ATOM 596 C C . GLY A 1 80 ? -10.635 -19.844 7.269 1.00 15.16 ? 101 GLY A C 1 ATOM 597 O O . GLY A 1 80 ? -11.588 -20.590 7.029 1.00 15.13 ? 101 GLY A O 1 ATOM 598 N N . PHE A 1 81 ? -10.742 -18.513 7.292 1.00 15.15 ? 102 PHE A N 1 ATOM 599 C CA . PHE A 1 81 ? -12.005 -17.813 7.038 1.00 15.00 ? 102 PHE A CA 1 ATOM 600 C C . PHE A 1 81 ? -12.007 -17.306 5.601 1.00 14.65 ? 102 PHE A C 1 ATOM 601 O O . PHE A 1 81 ? -11.088 -16.586 5.189 1.00 14.39 ? 102 PHE A O 1 ATOM 602 C CB . PHE A 1 81 ? -12.184 -16.638 8.013 1.00 15.14 ? 102 PHE A CB 1 ATOM 603 C CG . PHE A 1 81 ? -13.539 -15.970 7.930 1.00 15.36 ? 102 PHE A CG 1 ATOM 604 C CD1 . PHE A 1 81 ? -14.673 -16.599 8.432 1.00 15.58 ? 102 PHE A CD1 1 ATOM 605 C CD2 . PHE A 1 81 ? -13.679 -14.707 7.363 1.00 15.48 ? 102 PHE A CD2 1 ATOM 606 C CE1 . PHE A 1 81 ? -15.920 -15.988 8.368 1.00 15.63 ? 102 PHE A CE1 1 ATOM 607 C CE2 . PHE A 1 81 ? -14.922 -14.090 7.296 1.00 15.58 ? 102 PHE A CE2 1 ATOM 608 C CZ . PHE A 1 81 ? -16.045 -14.731 7.798 1.00 15.64 ? 102 PHE A CZ 1 ATOM 609 N N . TYR A 1 82 ? -13.040 -17.684 4.848 1.00 14.26 ? 103 TYR A N 1 ATOM 610 C CA . TYR A 1 82 ? -13.143 -17.326 3.438 1.00 13.82 ? 103 TYR A CA 1 ATOM 611 C C . TYR A 1 82 ? -13.609 -15.886 3.287 1.00 13.60 ? 103 TYR A C 1 ATOM 612 O O . TYR A 1 82 ? -14.756 -15.559 3.596 1.00 13.74 ? 103 TYR A O 1 ATOM 613 C CB . TYR A 1 82 ? -14.102 -18.267 2.714 1.00 13.72 ? 103 TYR A CB 1 ATOM 614 C CG . TYR A 1 82 ? -14.106 -18.102 1.210 1.00 13.54 ? 103 TYR A CG 1 ATOM 615 C CD1 . TYR A 1 82 ? -12.991 -18.443 0.453 1.00 13.34 ? 103 TYR A CD1 1 ATOM 616 C CD2 . TYR A 1 82 ? -15.235 -17.614 0.542 1.00 13.51 ? 103 TYR A CD2 1 ATOM 617 C CE1 . TYR A 1 82 ? -12.995 -18.297 -0.921 1.00 13.31 ? 103 TYR A CE1 1 ATOM 618 C CE2 . TYR A 1 82 ? -15.249 -17.473 -0.833 1.00 13.35 ? 103 TYR A CE2 1 ATOM 619 C CZ . TYR A 1 82 ? -14.126 -17.815 -1.555 1.00 13.38 ? 103 TYR A CZ 1 ATOM 620 O OH . TYR A 1 82 ? -14.132 -17.676 -2.916 1.00 13.57 ? 103 TYR A OH 1 ATOM 621 N N . THR A 1 83 ? -12.705 -15.032 2.817 1.00 13.29 ? 104 THR A N 1 ATOM 622 C CA . THR A 1 83 ? -12.999 -13.614 2.608 1.00 12.97 ? 104 THR A CA 1 ATOM 623 C C . THR A 1 83 ? -12.091 -13.045 1.513 1.00 12.78 ? 104 THR A C 1 ATOM 624 O O . THR A 1 83 ? -11.573 -13.792 0.681 1.00 12.75 ? 104 THR A O 1 ATOM 625 C CB . THR A 1 83 ? -12.868 -12.815 3.927 1.00 12.86 ? 104 THR A CB 1 ATOM 626 O OG1 . THR A 1 83 ? -13.246 -11.452 3.705 1.00 12.77 ? 104 THR A OG1 1 ATOM 627 C CG2 . THR A 1 83 ? -11.439 -12.871 4.478 1.00 12.85 ? 104 THR A CG2 1 ATOM 628 N N . THR A 1 84 ? -11.925 -11.726 1.504 1.00 12.82 ? 105 THR A N 1 ATOM 629 C CA . THR A 1 84 ? -11.073 -11.036 0.533 1.00 12.77 ? 105 THR A CA 1 ATOM 630 C C . THR A 1 84 ? -9.877 -10.416 1.254 1.00 12.74 ? 105 THR A C 1 ATOM 631 O O . THR A 1 84 ? -9.997 -9.321 1.807 1.00 12.61 ? 105 THR A O 1 ATOM 632 C CB . THR A 1 84 ? -11.847 -9.910 -0.168 1.00 12.76 ? 105 THR A CB 1 ATOM 633 O OG1 . THR A 1 84 ? -12.492 -9.098 0.818 1.00 12.77 ? 105 THR A OG1 1 ATOM 634 C CG2 . THR A 1 84 ? -12.893 -10.475 -1.100 1.00 12.87 ? 105 THR A CG2 1 ATOM 635 N N . PRO A 1 85 ? -8.726 -11.121 1.274 1.00 12.80 ? 106 PRO A N 1 ATOM 636 C CA . PRO A 1 85 ? -7.547 -10.571 1.947 1.00 12.89 ? 106 PRO A CA 1 ATOM 637 C C . PRO A 1 85 ? -7.013 -9.292 1.305 1.00 13.10 ? 106 PRO A C 1 ATOM 638 O O . PRO A 1 85 ? -6.285 -8.539 1.962 1.00 12.98 ? 106 PRO A O 1 ATOM 639 C CB . PRO A 1 85 ? -6.516 -11.701 1.838 1.00 12.84 ? 106 PRO A CB 1 ATOM 640 C CG . PRO A 1 85 ? -7.311 -12.937 1.631 1.00 12.78 ? 106 PRO A CG 1 ATOM 641 C CD . PRO A 1 85 ? -8.491 -12.505 0.820 1.00 12.79 ? 106 PRO A CD 1 ATOM 642 N N . THR A 1 86 ? -7.370 -9.058 0.038 1.00 13.29 ? 107 THR A N 1 ATOM 643 C CA . THR A 1 86 ? -7.016 -7.822 -0.662 1.00 13.43 ? 107 THR A CA 1 ATOM 644 C C . THR A 1 86 ? -7.733 -6.624 -0.062 1.00 13.56 ? 107 THR A C 1 ATOM 645 O O . THR A 1 86 ? -7.268 -5.491 -0.213 1.00 13.67 ? 107 THR A O 1 ATOM 646 C CB . THR A 1 86 ? -7.385 -7.872 -2.158 1.00 13.50 ? 107 THR A CB 1 ATOM 647 O OG1 . THR A 1 86 ? -8.758 -8.265 -2.303 1.00 13.57 ? 107 THR A OG1 1 ATOM 648 C CG2 . THR A 1 86 ? -6.500 -8.853 -2.896 1.00 13.61 ? 107 THR A CG2 1 ATOM 649 N N . ASN A 1 87 ? -8.877 -6.868 0.582 1.00 13.45 ? 108 ASN A N 1 ATOM 650 C CA . ASN A 1 87 ? -9.607 -5.810 1.273 1.00 13.36 ? 108 ASN A CA 1 ATOM 651 C C . ASN A 1 87 ? -10.460 -6.329 2.433 1.00 13.49 ? 108 ASN A C 1 ATOM 652 O O . ASN A 1 87 ? -11.544 -6.880 2.232 1.00 13.61 ? 108 ASN A O 1 ATOM 653 C CB . ASN A 1 87 ? -10.451 -5.008 0.286 1.00 13.35 ? 108 ASN A CB 1 ATOM 654 C CG . ASN A 1 87 ? -11.387 -5.877 -0.539 1.00 13.44 ? 108 ASN A CG 1 ATOM 655 O OD1 . ASN A 1 87 ? -10.944 -6.732 -1.311 1.00 13.28 ? 108 ASN A OD1 1 ATOM 656 N ND2 . ASN A 1 87 ? -12.702 -5.652 -0.382 1.00 13.48 ? 108 ASN A ND2 1 ATOM 657 N N . VAL A 1 88 ? -9.951 -6.149 3.649 1.00 13.50 ? 109 VAL A N 1 ATOM 658 C CA . VAL A 1 88 ? -10.598 -6.658 4.853 1.00 13.47 ? 109 VAL A CA 1 ATOM 659 C C . VAL A 1 88 ? -9.935 -6.058 6.075 1.00 13.57 ? 109 VAL A C 1 ATOM 660 O O . VAL A 1 88 ? -8.764 -5.684 6.027 1.00 13.62 ? 109 VAL A O 1 ATOM 661 C CB . VAL A 1 88 ? -10.486 -8.196 4.952 1.00 13.51 ? 109 VAL A CB 1 ATOM 662 C CG1 . VAL A 1 88 ? -9.024 -8.632 5.038 1.00 13.53 ? 109 VAL A CG1 1 ATOM 663 C CG2 . VAL A 1 88 ? -11.289 -8.734 6.135 1.00 13.50 ? 109 VAL A CG2 1 ATOM 664 N N . THR A 1 89 ? -10.695 -5.964 7.163 1.00 13.66 ? 110 THR A N 1 ATOM 665 C CA . THR A 1 89 ? -10.138 -5.644 8.471 1.00 13.62 ? 110 THR A CA 1 ATOM 666 C C . THR A 1 89 ? -10.357 -6.856 9.376 1.00 13.76 ? 110 THR A C 1 ATOM 667 O O . THR A 1 89 ? -11.411 -7.495 9.326 1.00 13.75 ? 110 THR A O 1 ATOM 668 C CB . THR A 1 89 ? -10.782 -4.379 9.076 1.00 13.46 ? 110 THR A CB 1 ATOM 669 O OG1 . THR A 1 89 ? -10.582 -3.266 8.195 1.00 13.07 ? 110 THR A OG1 1 ATOM 670 C CG2 . THR A 1 89 ? -10.169 -4.057 10.441 1.00 13.40 ? 110 THR A CG2 1 ATOM 671 N N . VAL A 1 90 ? -9.347 -7.182 10.180 1.00 13.96 ? 111 VAL A N 1 ATOM 672 C CA . VAL A 1 90 ? -9.409 -8.330 11.085 1.00 13.91 ? 111 VAL A CA 1 ATOM 673 C C . VAL A 1 90 ? -9.033 -7.898 12.503 1.00 13.81 ? 111 VAL A C 1 ATOM 674 O O . VAL A 1 90 ? -8.139 -7.064 12.690 1.00 13.35 ? 111 VAL A O 1 ATOM 675 C CB . VAL A 1 90 ? -8.521 -9.514 10.601 1.00 14.09 ? 111 VAL A CB 1 ATOM 676 C CG1 . VAL A 1 90 ? -8.369 -9.498 9.083 1.00 14.25 ? 111 VAL A CG1 1 ATOM 677 C CG2 . VAL A 1 90 ? -7.142 -9.511 11.241 1.00 14.20 ? 111 VAL A CG2 1 ATOM 678 N N . GLU A 1 91 ? -9.744 -8.456 13.486 1.00 13.88 ? 112 GLU A N 1 ATOM 679 C CA . GLU A 1 91 ? -9.481 -8.198 14.901 1.00 13.73 ? 112 GLU A CA 1 ATOM 680 C C . GLU A 1 91 ? -9.136 -9.513 15.574 1.00 13.58 ? 112 GLU A C 1 ATOM 681 O O . GLU A 1 91 ? -9.981 -10.404 15.648 1.00 13.45 ? 112 GLU A O 1 ATOM 682 C CB . GLU A 1 91 ? -10.709 -7.591 15.577 1.00 13.84 ? 112 GLU A CB 1 ATOM 683 C CG . GLU A 1 91 ? -10.484 -7.198 17.033 1.00 14.02 ? 112 GLU A CG 1 ATOM 684 C CD . GLU A 1 91 ? -11.770 -7.129 17.840 1.00 14.11 ? 112 GLU A CD 1 ATOM 685 O OE1 . GLU A 1 91 ? -12.535 -8.118 17.847 1.00 14.14 ? 112 GLU A OE1 1 ATOM 686 O OE2 . GLU A 1 91 ? -12.008 -6.088 18.487 1.00 14.10 ? 112 GLU A OE2 1 ATOM 687 N N . MET A 1 92 ? -7.898 -9.627 16.054 1.00 13.47 ? 113 MET A N 1 ATOM 688 C CA . MET A 1 92 ? -7.465 -10.790 16.830 1.00 13.43 ? 113 MET A CA 1 ATOM 689 C C . MET A 1 92 ? -7.425 -10.394 18.298 1.00 13.19 ? 113 MET A C 1 ATOM 690 O O . MET A 1 92 ? -6.833 -9.369 18.649 1.00 12.98 ? 113 MET A O 1 ATOM 691 C CB . MET A 1 92 ? -6.067 -11.253 16.418 1.00 13.67 ? 113 MET A CB 1 ATOM 692 C CG . MET A 1 92 ? -5.787 -11.246 14.926 1.00 13.91 ? 113 MET A CG 1 ATOM 693 S SD . MET A 1 92 ? -4.109 -11.816 14.584 1.00 14.30 ? 113 MET A SD 1 ATOM 694 C CE . MET A 1 92 ? -3.824 -10.969 13.032 1.00 14.22 ? 113 MET A CE 1 ATOM 695 N N . THR A 1 93 ? -8.050 -11.205 19.150 1.00 12.91 ? 114 THR A N 1 ATOM 696 C CA . THR A 1 93 ? -8.015 -10.984 20.598 1.00 12.73 ? 114 THR A CA 1 ATOM 697 C C . THR A 1 93 ? -7.692 -12.267 21.348 1.00 12.60 ? 114 THR A C 1 ATOM 698 O O . THR A 1 93 ? -7.987 -13.368 20.882 1.00 12.75 ? 114 THR A O 1 ATOM 699 C CB . THR A 1 93 ? -9.352 -10.439 21.138 1.00 12.68 ? 114 THR A CB 1 ATOM 700 O OG1 . THR A 1 93 ? -10.419 -11.296 20.723 1.00 12.90 ? 114 THR A OG1 1 ATOM 701 C CG2 . THR A 1 93 ? -9.607 -9.034 20.632 1.00 12.66 ? 114 THR A CG2 1 ATOM 702 N N . GLY A 1 94 ? -7.085 -12.108 22.518 1.00 12.41 ? 115 GLY A N 1 ATOM 703 C CA . GLY A 1 94 ? -6.779 -13.228 23.393 1.00 12.25 ? 115 GLY A CA 1 ATOM 704 C C . GLY A 1 94 ? -6.014 -12.728 24.597 1.00 12.09 ? 115 GLY A C 1 ATOM 705 O O . GLY A 1 94 ? -5.973 -11.525 24.837 1.00 12.04 ? 115 GLY A O 1 ATOM 706 N N . TYR A 1 95 ? -5.415 -13.654 25.343 1.00 11.87 ? 116 TYR A N 1 ATOM 707 C CA . TYR A 1 95 ? -4.540 -13.325 26.461 1.00 11.79 ? 116 TYR A CA 1 ATOM 708 C C . TYR A 1 95 ? -3.156 -13.957 26.240 1.00 11.93 ? 116 TYR A C 1 ATOM 709 O O . TYR A 1 95 ? -3.048 -15.162 25.997 1.00 11.94 ? 116 TYR A O 1 ATOM 710 C CB . TYR A 1 95 ? -5.116 -13.860 27.777 1.00 11.68 ? 116 TYR A CB 1 ATOM 711 C CG . TYR A 1 95 ? -6.444 -13.266 28.229 1.00 11.57 ? 116 TYR A CG 1 ATOM 712 C CD1 . TYR A 1 95 ? -7.656 -13.708 27.691 1.00 11.49 ? 116 TYR A CD1 1 ATOM 713 C CD2 . TYR A 1 95 ? -6.488 -12.296 29.230 1.00 11.50 ? 116 TYR A CD2 1 ATOM 714 C CE1 . TYR A 1 95 ? -8.867 -13.184 28.124 1.00 11.49 ? 116 TYR A CE1 1 ATOM 715 C CE2 . TYR A 1 95 ? -7.692 -11.759 29.665 1.00 11.49 ? 116 TYR A CE2 1 ATOM 716 C CZ . TYR A 1 95 ? -8.880 -12.206 29.116 1.00 11.55 ? 116 TYR A CZ 1 ATOM 717 O OH . TYR A 1 95 ? -10.076 -11.665 29.557 1.00 11.47 ? 116 TYR A OH 1 ATOM 718 N N . PHE A 1 96 ? -2.108 -13.142 26.342 1.00 11.89 ? 117 PHE A N 1 ATOM 719 C CA . PHE A 1 96 ? -0.731 -13.619 26.288 1.00 11.77 ? 117 PHE A CA 1 ATOM 720 C C . PHE A 1 96 ? -0.253 -14.001 27.696 1.00 11.94 ? 117 PHE A C 1 ATOM 721 O O . PHE A 1 96 ? -0.341 -13.201 28.632 1.00 12.03 ? 117 PHE A O 1 ATOM 722 C CB . PHE A 1 96 ? 0.176 -12.535 25.699 1.00 11.72 ? 117 PHE A CB 1 ATOM 723 C CG . PHE A 1 96 ? 1.602 -12.971 25.517 1.00 11.66 ? 117 PHE A CG 1 ATOM 724 C CD1 . PHE A 1 96 ? 2.515 -12.863 26.563 1.00 11.58 ? 117 PHE A CD1 1 ATOM 725 C CD2 . PHE A 1 96 ? 2.034 -13.490 24.301 1.00 11.64 ? 117 PHE A CD2 1 ATOM 726 C CE1 . PHE A 1 96 ? 3.830 -13.272 26.400 1.00 11.60 ? 117 PHE A CE1 1 ATOM 727 C CE2 . PHE A 1 96 ? 3.351 -13.898 24.131 1.00 11.66 ? 117 PHE A CE2 1 ATOM 728 C CZ . PHE A 1 96 ? 4.251 -13.791 25.183 1.00 11.62 ? 117 PHE A CZ 1 ATOM 729 N N . LEU A 1 97 ? 0.268 -15.219 27.832 1.00 11.90 ? 118 LEU A N 1 ATOM 730 C CA . LEU A 1 97 ? 0.737 -15.744 29.106 1.00 11.85 ? 118 LEU A CA 1 ATOM 731 C C . LEU A 1 97 ? 2.266 -15.850 29.120 1.00 12.09 ? 118 LEU A C 1 ATOM 732 O O . LEU A 1 97 ? 2.829 -16.750 28.488 1.00 11.88 ? 118 LEU A O 1 ATOM 733 C CB . LEU A 1 97 ? 0.117 -17.125 29.342 1.00 11.78 ? 118 LEU A CB 1 ATOM 734 C CG . LEU A 1 97 ? 0.470 -17.893 30.617 1.00 11.61 ? 118 LEU A CG 1 ATOM 735 C CD1 . LEU A 1 97 ? 0.094 -17.106 31.858 1.00 11.54 ? 118 LEU A CD1 1 ATOM 736 C CD2 . LEU A 1 97 ? -0.229 -19.240 30.606 1.00 11.56 ? 118 LEU A CD2 1 ATOM 737 N N . PRO A 1 98 ? 2.946 -14.930 29.833 1.00 12.40 ? 119 PRO A N 1 ATOM 738 C CA . PRO A 1 98 ? 4.396 -15.021 29.975 1.00 12.70 ? 119 PRO A CA 1 ATOM 739 C C . PRO A 1 98 ? 4.806 -16.186 30.880 1.00 13.27 ? 119 PRO A C 1 ATOM 740 O O . PRO A 1 98 ? 4.337 -16.274 32.018 1.00 13.05 ? 119 PRO A O 1 ATOM 741 C CB . PRO A 1 98 ? 4.768 -13.684 30.625 1.00 12.51 ? 119 PRO A CB 1 ATOM 742 C CG . PRO A 1 98 ? 3.544 -13.269 31.350 1.00 12.36 ? 119 PRO A CG 1 ATOM 743 C CD . PRO A 1 98 ? 2.421 -13.711 30.470 1.00 12.39 ? 119 PRO A CD 1 ATOM 744 N N . PRO A 1 99 ? 5.654 -17.095 30.368 1.00 14.03 ? 120 PRO A N 1 ATOM 745 C CA . PRO A 1 99 ? 6.153 -18.163 31.224 1.00 14.57 ? 120 PRO A CA 1 ATOM 746 C C . PRO A 1 99 ? 7.336 -17.724 32.085 1.00 15.27 ? 120 PRO A C 1 ATOM 747 O O . PRO A 1 99 ? 7.693 -18.430 33.028 1.00 15.58 ? 120 PRO A O 1 ATOM 748 C CB . PRO A 1 99 ? 6.563 -19.251 30.227 1.00 14.41 ? 120 PRO A CB 1 ATOM 749 C CG . PRO A 1 99 ? 6.910 -18.511 28.987 1.00 14.29 ? 120 PRO A CG 1 ATOM 750 C CD . PRO A 1 99 ? 6.044 -17.287 28.959 1.00 14.15 ? 120 PRO A CD 1 ATOM 751 N N . GLN A 1 100 ? 7.933 -16.576 31.753 1.00 16.01 ? 121 GLN A N 1 ATOM 752 C CA . GLN A 1 100 ? 8.999 -15.965 32.557 1.00 16.58 ? 121 GLN A CA 1 ATOM 753 C C . GLN A 1 100 ? 8.740 -14.472 32.751 1.00 16.40 ? 121 GLN A C 1 ATOM 754 O O . GLN A 1 100 ? 8.100 -13.832 31.906 1.00 16.49 ? 121 GLN A O 1 ATOM 755 C CB . GLN A 1 100 ? 10.365 -16.147 31.883 1.00 17.30 ? 121 GLN A CB 1 ATOM 756 C CG . GLN A 1 100 ? 11.170 -17.337 32.389 1.00 18.02 ? 121 GLN A CG 1 ATOM 757 C CD . GLN A 1 100 ? 12.639 -17.281 31.978 1.00 18.72 ? 121 GLN A CD 1 ATOM 758 O OE1 . GLN A 1 100 ? 13.254 -16.207 31.928 1.00 18.94 ? 121 GLN A OE1 1 ATOM 759 N NE2 . GLN A 1 100 ? 13.210 -18.447 31.685 1.00 19.01 ? 121 GLN A NE2 1 ATOM 760 N N . THR A 1 101 ? 9.248 -13.931 33.860 1.00 16.01 ? 122 THR A N 1 ATOM 761 C CA . THR A 1 101 ? 9.196 -12.492 34.134 1.00 15.84 ? 122 THR A CA 1 ATOM 762 C C . THR A 1 101 ? 10.316 -11.760 33.397 1.00 15.73 ? 122 THR A C 1 ATOM 763 O O . THR A 1 101 ? 11.481 -12.166 33.448 1.00 15.32 ? 122 THR A O 1 ATOM 764 C CB . THR A 1 101 ? 9.330 -12.200 35.640 1.00 15.73 ? 122 THR A CB 1 ATOM 765 O OG1 . THR A 1 101 ? 8.252 -12.823 36.333 1.00 16.14 ? 122 THR A OG1 1 ATOM 766 C CG2 . THR A 1 101 ? 9.289 -10.718 35.921 1.00 15.68 ? 122 THR A CG2 1 ATOM 767 N N . GLY A 1 102 ? 9.954 -10.672 32.723 1.00 15.75 ? 123 GLY A N 1 ATOM 768 C CA . GLY A 1 102 ? 10.921 -9.865 31.988 1.00 15.86 ? 123 GLY A CA 1 ATOM 769 C C . GLY A 1 102 ? 10.290 -9.041 30.883 1.00 15.90 ? 123 GLY A C 1 ATOM 770 O O . GLY A 1 102 ? 9.072 -8.854 30.847 1.00 15.44 ? 123 GLY A O 1 ATOM 771 N N . SER A 1 103 ? 11.133 -8.561 29.973 1.00 16.06 ? 124 SER A N 1 ATOM 772 C CA . SER A 1 103 ? 10.687 -7.696 28.886 1.00 16.14 ? 124 SER A CA 1 ATOM 773 C C . SER A 1 103 ? 10.332 -8.514 27.640 1.00 15.98 ? 124 SER A C 1 ATOM 774 O O . SER A 1 103 ? 11.092 -9.393 27.220 1.00 15.97 ? 124 SER A O 1 ATOM 775 C CB . SER A 1 103 ? 11.761 -6.652 28.558 1.00 16.18 ? 124 SER A CB 1 ATOM 776 O OG . SER A 1 103 ? 11.181 -5.502 27.964 1.00 16.27 ? 124 SER A OG 1 ATOM 777 N N . TYR A 1 104 ? 9.170 -8.214 27.066 1.00 15.77 ? 125 TYR A N 1 ATOM 778 C CA . TYR A 1 104 ? 8.682 -8.888 25.872 1.00 15.74 ? 125 TYR A CA 1 ATOM 779 C C . TYR A 1 104 ? 8.539 -7.879 24.739 1.00 15.79 ? 125 TYR A C 1 ATOM 780 O O . TYR A 1 104 ? 7.693 -6.988 24.798 1.00 15.75 ? 125 TYR A O 1 ATOM 781 C CB . TYR A 1 104 ? 7.335 -9.559 26.157 1.00 15.64 ? 125 TYR A CB 1 ATOM 782 C CG . TYR A 1 104 ? 7.452 -10.814 26.985 1.00 15.47 ? 125 TYR A CG 1 ATOM 783 C CD1 . TYR A 1 104 ? 7.664 -10.745 28.357 1.00 15.42 ? 125 TYR A CD1 1 ATOM 784 C CD2 . TYR A 1 104 ? 7.358 -12.072 26.397 1.00 15.39 ? 125 TYR A CD2 1 ATOM 785 C CE1 . TYR A 1 104 ? 7.781 -11.894 29.125 1.00 15.48 ? 125 TYR A CE1 1 ATOM 786 C CE2 . TYR A 1 104 ? 7.466 -13.228 27.157 1.00 15.52 ? 125 TYR A CE2 1 ATOM 787 C CZ . TYR A 1 104 ? 7.678 -13.133 28.521 1.00 15.46 ? 125 TYR A CZ 1 ATOM 788 O OH . TYR A 1 104 ? 7.790 -14.271 29.281 1.00 15.44 ? 125 TYR A OH 1 ATOM 789 N N . THR A 1 105 ? 9.364 -8.029 23.707 1.00 15.95 ? 126 THR A N 1 ATOM 790 C CA . THR A 1 105 ? 9.368 -7.093 22.586 1.00 16.23 ? 126 THR A CA 1 ATOM 791 C C . THR A 1 105 ? 8.638 -7.706 21.395 1.00 16.36 ? 126 THR A C 1 ATOM 792 O O . THR A 1 105 ? 9.206 -8.503 20.652 1.00 16.76 ? 126 THR A O 1 ATOM 793 C CB . THR A 1 105 ? 10.812 -6.688 22.185 1.00 16.17 ? 126 THR A CB 1 ATOM 794 O OG1 . THR A 1 105 ? 11.493 -6.126 23.317 1.00 15.79 ? 126 THR A OG1 1 ATOM 795 C CG2 . THR A 1 105 ? 10.796 -5.666 21.059 1.00 16.04 ? 126 THR A CG2 1 ATOM 796 N N . PHE A 1 106 ? 7.372 -7.333 21.230 1.00 16.36 ? 127 PHE A N 1 ATOM 797 C CA . PHE A 1 106 ? 6.573 -7.766 20.085 1.00 16.22 ? 127 PHE A CA 1 ATOM 798 C C . PHE A 1 106 ? 6.982 -6.963 18.853 1.00 16.27 ? 127 PHE A C 1 ATOM 799 O O . PHE A 1 106 ? 7.367 -5.798 18.969 1.00 16.34 ? 127 PHE A O 1 ATOM 800 C CB . PHE A 1 106 ? 5.075 -7.579 20.367 1.00 16.24 ? 127 PHE A CB 1 ATOM 801 C CG . PHE A 1 106 ? 4.543 -8.479 21.452 1.00 16.10 ? 127 PHE A CG 1 ATOM 802 C CD1 . PHE A 1 106 ? 4.619 -8.101 22.790 1.00 15.97 ? 127 PHE A CD1 1 ATOM 803 C CD2 . PHE A 1 106 ? 3.965 -9.704 21.136 1.00 15.99 ? 127 PHE A CD2 1 ATOM 804 C CE1 . PHE A 1 106 ? 4.133 -8.928 23.790 1.00 15.82 ? 127 PHE A CE1 1 ATOM 805 C CE2 . PHE A 1 106 ? 3.477 -10.536 22.134 1.00 15.94 ? 127 PHE A CE2 1 ATOM 806 C CZ . PHE A 1 106 ? 3.563 -10.147 23.461 1.00 15.87 ? 127 PHE A CZ 1 ATOM 807 N N . LYS A 1 107 ? 6.893 -7.584 17.677 1.00 16.26 ? 128 LYS A N 1 ATOM 808 C CA . LYS A 1 107 ? 7.346 -6.948 16.441 1.00 16.14 ? 128 LYS A CA 1 ATOM 809 C C . LYS A 1 107 ? 6.508 -7.313 15.217 1.00 15.77 ? 128 LYS A C 1 ATOM 810 O O . LYS A 1 107 ? 6.037 -8.442 15.081 1.00 15.40 ? 128 LYS A O 1 ATOM 811 C CB . LYS A 1 107 ? 8.802 -7.317 16.151 1.00 16.52 ? 128 LYS A CB 1 ATOM 812 C CG . LYS A 1 107 ? 9.485 -6.382 15.153 1.00 16.83 ? 128 LYS A CG 1 ATOM 813 C CD . LYS A 1 107 ? 10.295 -7.144 14.115 1.00 17.28 ? 128 LYS A CD 1 ATOM 814 C CE . LYS A 1 107 ? 11.629 -7.635 14.660 1.00 17.56 ? 128 LYS A CE 1 ATOM 815 N NZ . LYS A 1 107 ? 12.290 -8.572 13.701 1.00 17.73 ? 128 LYS A NZ 1 ATOM 816 N N . PHE A 1 108 ? 6.333 -6.323 14.342 1.00 15.34 ? 129 PHE A N 1 ATOM 817 C CA . PHE A 1 108 ? 5.853 -6.526 12.992 1.00 15.01 ? 129 PHE A CA 1 ATOM 818 C C . PHE A 1 108 ? 7.058 -6.330 12.070 1.00 14.87 ? 129 PHE A C 1 ATOM 819 O O . PHE A 1 108 ? 7.583 -5.225 11.969 1.00 14.95 ? 129 PHE A O 1 ATOM 820 C CB . PHE A 1 108 ? 4.773 -5.493 12.636 1.00 14.89 ? 129 PHE A CB 1 ATOM 821 C CG . PHE A 1 108 ? 3.531 -5.544 13.502 1.00 14.80 ? 129 PHE A CG 1 ATOM 822 C CD1 . PHE A 1 108 ? 3.051 -6.740 14.027 1.00 14.71 ? 129 PHE A CD1 1 ATOM 823 C CD2 . PHE A 1 108 ? 2.803 -4.378 13.744 1.00 14.74 ? 129 PHE A CD2 1 ATOM 824 C CE1 . PHE A 1 108 ? 1.894 -6.761 14.796 1.00 14.68 ? 129 PHE A CE1 1 ATOM 825 C CE2 . PHE A 1 108 ? 1.650 -4.396 14.512 1.00 14.52 ? 129 PHE A CE2 1 ATOM 826 C CZ . PHE A 1 108 ? 1.194 -5.589 15.039 1.00 14.57 ? 129 PHE A CZ 1 ATOM 827 N N . ALA A 1 109 ? 7.503 -7.397 11.407 1.00 14.83 ? 130 ALA A N 1 ATOM 828 C CA . ALA A 1 109 ? 8.617 -7.302 10.448 1.00 14.82 ? 130 ALA A CA 1 ATOM 829 C C . ALA A 1 109 ? 8.296 -6.279 9.359 1.00 14.86 ? 130 ALA A C 1 ATOM 830 O O . ALA A 1 109 ? 9.170 -5.525 8.923 1.00 14.64 ? 130 ALA A O 1 ATOM 831 C CB . ALA A 1 109 ? 8.927 -8.662 9.832 1.00 14.71 ? 130 ALA A CB 1 ATOM 832 N N . THR A 1 110 ? 7.037 -6.268 8.928 1.00 15.02 ? 131 THR A N 1 ATOM 833 C CA . THR A 1 110 ? 6.507 -5.189 8.097 1.00 15.30 ? 131 THR A CA 1 ATOM 834 C C . THR A 1 110 ? 4.990 -5.069 8.313 1.00 15.30 ? 131 THR A C 1 ATOM 835 O O . THR A 1 110 ? 4.383 -5.931 8.951 1.00 15.05 ? 131 THR A O 1 ATOM 836 C CB . THR A 1 110 ? 6.861 -5.390 6.602 1.00 15.42 ? 131 THR A CB 1 ATOM 837 O OG1 . THR A 1 110 ? 6.605 -4.179 5.877 1.00 15.63 ? 131 THR A OG1 1 ATOM 838 C CG2 . THR A 1 110 ? 6.071 -6.534 5.990 1.00 15.48 ? 131 THR A CG2 1 ATOM 839 N N . VAL A 1 111 ? 4.400 -3.983 7.811 1.00 15.39 ? 132 VAL A N 1 ATOM 840 C CA . VAL A 1 111 ? 2.953 -3.750 7.923 1.00 15.30 ? 132 VAL A CA 1 ATOM 841 C C . VAL A 1 111 ? 2.374 -3.364 6.561 1.00 15.31 ? 132 VAL A C 1 ATOM 842 O O . VAL A 1 111 ? 2.839 -2.420 5.931 1.00 15.41 ? 132 VAL A O 1 ATOM 843 C CB . VAL A 1 111 ? 2.634 -2.641 8.944 1.00 15.21 ? 132 VAL A CB 1 ATOM 844 C CG1 . VAL A 1 111 ? 1.130 -2.395 9.014 1.00 15.26 ? 132 VAL A CG1 1 ATOM 845 C CG2 . VAL A 1 111 ? 3.179 -3.010 10.315 1.00 15.23 ? 132 VAL A CG2 1 ATOM 846 N N . ASP A 1 112 ? 1.344 -4.087 6.128 1.00 15.32 ? 133 ASP A N 1 ATOM 847 C CA . ASP A 1 112 ? 0.819 -3.962 4.770 1.00 15.20 ? 133 ASP A CA 1 ATOM 848 C C . ASP A 1 112 ? -0.655 -4.422 4.736 1.00 15.00 ? 133 ASP A C 1 ATOM 849 O O . ASP A 1 112 ? -0.910 -5.618 4.576 1.00 14.79 ? 133 ASP A O 1 ATOM 850 C CB . ASP A 1 112 ? 1.691 -4.826 3.846 1.00 15.47 ? 133 ASP A CB 1 ATOM 851 C CG . ASP A 1 112 ? 1.229 -4.825 2.396 1.00 15.67 ? 133 ASP A CG 1 ATOM 852 O OD1 . ASP A 1 112 ? 0.429 -3.955 2.006 1.00 16.05 ? 133 ASP A OD1 1 ATOM 853 O OD2 . ASP A 1 112 ? 1.677 -5.708 1.636 1.00 15.77 ? 133 ASP A OD2 1 ATOM 854 N N . ASP A 1 113 ? -1.629 -3.505 4.853 1.00 14.55 ? 134 ASP A N 1 ATOM 855 C CA . ASP A 1 113 ? -1.435 -2.045 4.780 1.00 14.28 ? 134 ASP A CA 1 ATOM 856 C C . ASP A 1 113 ? -1.278 -1.352 6.133 1.00 14.22 ? 134 ASP A C 1 ATOM 857 O O . ASP A 1 113 ? -0.364 -0.540 6.313 1.00 14.15 ? 134 ASP A O 1 ATOM 858 C CB . ASP A 1 113 ? -2.629 -1.393 4.068 1.00 14.19 ? 134 ASP A CB 1 ATOM 859 C CG . ASP A 1 113 ? -2.678 -1.694 2.579 1.00 14.04 ? 134 ASP A CG 1 ATOM 860 O OD1 . ASP A 1 113 ? -1.702 -2.250 2.033 1.00 13.92 ? 134 ASP A OD1 1 ATOM 861 O OD2 . ASP A 1 113 ? -3.707 -1.363 1.947 1.00 13.78 ? 134 ASP A OD2 1 ATOM 862 N N . SER A 1 114 ? -2.197 -1.631 7.059 1.00 13.94 ? 135 SER A N 1 ATOM 863 C CA . SER A 1 114 ? -2.251 -0.921 8.344 1.00 13.86 ? 135 SER A CA 1 ATOM 864 C C . SER A 1 114 ? -2.526 -1.903 9.476 1.00 14.07 ? 135 SER A C 1 ATOM 865 O O . SER A 1 114 ? -3.281 -2.865 9.297 1.00 13.95 ? 135 SER A O 1 ATOM 866 C CB . SER A 1 114 ? -3.342 0.162 8.308 1.00 13.70 ? 135 SER A CB 1 ATOM 867 O OG . SER A 1 114 ? -3.295 1.006 9.448 1.00 13.25 ? 135 SER A OG 1 ATOM 868 N N . ALA A 1 115 ? -1.922 -1.652 10.636 1.00 14.28 ? 136 ALA A N 1 ATOM 869 C CA . ALA A 1 115 ? -2.037 -2.570 11.770 1.00 14.68 ? 136 ALA A CA 1 ATOM 870 C C . ALA A 1 115 ? -1.685 -1.950 13.120 1.00 15.04 ? 136 ALA A C 1 ATOM 871 O O . ALA A 1 115 ? -0.988 -0.943 13.200 1.00 14.90 ? 136 ALA A O 1 ATOM 872 C CB . ALA A 1 115 ? -1.179 -3.805 11.534 1.00 14.69 ? 136 ALA A CB 1 ATOM 873 N N . ILE A 1 116 ? -2.157 -2.607 14.175 1.00 15.63 ? 137 ILE A N 1 ATOM 874 C CA . ILE A 1 116 ? -2.029 -2.137 15.554 1.00 16.16 ? 137 ILE A CA 1 ATOM 875 C C . ILE A 1 116 ? -1.757 -3.347 16.454 1.00 16.14 ? 137 ILE A C 1 ATOM 876 O O . ILE A 1 116 ? -2.215 -4.445 16.162 1.00 16.30 ? 137 ILE A O 1 ATOM 877 C CB . ILE A 1 116 ? -3.353 -1.434 15.979 1.00 16.75 ? 137 ILE A CB 1 ATOM 878 C CG1 . ILE A 1 116 ? -3.387 0.016 15.480 1.00 16.83 ? 137 ILE A CG1 1 ATOM 879 C CG2 . ILE A 1 116 ? -3.605 -1.500 17.483 1.00 17.08 ? 137 ILE A CG2 1 ATOM 880 C CD1 . ILE A 1 116 ? -2.178 0.834 15.858 1.00 16.96 ? 137 ILE A CD1 1 ATOM 881 N N . LEU A 1 117 ? -0.996 -3.143 17.528 1.00 16.21 ? 138 LEU A N 1 ATOM 882 C CA . LEU A 1 117 ? -0.920 -4.107 18.635 1.00 16.27 ? 138 LEU A CA 1 ATOM 883 C C . LEU A 1 117 ? -1.131 -3.372 19.949 1.00 16.48 ? 138 LEU A C 1 ATOM 884 O O . LEU A 1 117 ? -0.411 -2.419 20.255 1.00 16.39 ? 138 LEU A O 1 ATOM 885 C CB . LEU A 1 117 ? 0.434 -4.831 18.681 1.00 16.37 ? 138 LEU A CB 1 ATOM 886 C CG . LEU A 1 117 ? 0.668 -5.712 19.926 1.00 16.31 ? 138 LEU A CG 1 ATOM 887 C CD1 . LEU A 1 117 ? -0.309 -6.881 19.989 1.00 16.30 ? 138 LEU A CD1 1 ATOM 888 C CD2 . LEU A 1 117 ? 2.096 -6.220 19.968 1.00 16.44 ? 138 LEU A CD2 1 ATOM 889 N N . SER A 1 118 ? -2.111 -3.824 20.728 1.00 16.86 ? 139 SER A N 1 ATOM 890 C CA . SER A 1 118 ? -2.346 -3.288 22.067 1.00 16.96 ? 139 SER A CA 1 ATOM 891 C C . SER A 1 118 ? -2.196 -4.398 23.099 1.00 17.08 ? 139 SER A C 1 ATOM 892 O O . SER A 1 118 ? -2.706 -5.499 22.906 1.00 17.16 ? 139 SER A O 1 ATOM 893 C CB . SER A 1 118 ? -3.722 -2.641 22.142 1.00 16.90 ? 139 SER A CB 1 ATOM 894 O OG . SER A 1 118 ? -3.746 -1.476 21.332 1.00 16.83 ? 139 SER A OG 1 ATOM 895 N N . VAL A 1 119 ? -1.470 -4.104 24.177 1.00 17.24 ? 140 VAL A N 1 ATOM 896 C CA . VAL A 1 119 ? -1.160 -5.091 25.216 1.00 17.48 ? 140 VAL A CA 1 ATOM 897 C C . VAL A 1 119 ? -1.515 -4.541 26.600 1.00 17.36 ? 140 VAL A C 1 ATOM 898 O O . VAL A 1 119 ? -1.110 -3.433 26.949 1.00 17.22 ? 140 VAL A O 1 ATOM 899 C CB . VAL A 1 119 ? 0.336 -5.485 25.187 1.00 17.52 ? 140 VAL A CB 1 ATOM 900 C CG1 . VAL A 1 119 ? 0.660 -6.483 26.296 1.00 17.62 ? 140 VAL A CG1 1 ATOM 901 C CG2 . VAL A 1 119 ? 0.704 -6.062 23.825 1.00 17.56 ? 140 VAL A CG2 1 ATOM 902 N N . GLY A 1 120 ? -2.274 -5.319 27.369 1.00 17.20 ? 141 GLY A N 1 ATOM 903 C CA . GLY A 1 120 ? -2.615 -4.971 28.744 1.00 17.52 ? 141 GLY A CA 1 ATOM 904 C C . GLY A 1 120 ? -4.104 -4.814 28.996 1.00 17.94 ? 141 GLY A C 1 ATOM 905 O O . GLY A 1 120 ? -4.895 -4.665 28.060 1.00 18.10 ? 141 GLY A O 1 ATOM 906 N N . GLY A 1 121 ? -4.479 -4.853 30.275 1.00 18.24 ? 142 GLY A N 1 ATOM 907 C CA . GLY A 1 121 ? -5.853 -4.614 30.702 1.00 18.43 ? 142 GLY A CA 1 ATOM 908 C C . GLY A 1 121 ? -6.202 -3.142 30.593 1.00 18.85 ? 142 GLY A C 1 ATOM 909 O O . GLY A 1 121 ? -5.395 -2.278 30.948 1.00 18.86 ? 142 GLY A O 1 ATOM 910 N N . SER A 1 122 ? -7.406 -2.867 30.093 1.00 19.40 ? 143 SER A N 1 ATOM 911 C CA . SER A 1 122 ? -7.875 -1.502 29.782 1.00 19.62 ? 143 SER A CA 1 ATOM 912 C C . SER A 1 122 ? -7.066 -0.793 28.686 1.00 19.40 ? 143 SER A C 1 ATOM 913 O O . SER A 1 122 ? -7.204 0.420 28.496 1.00 19.52 ? 143 SER A O 1 ATOM 914 C CB . SER A 1 122 ? -7.941 -0.638 31.043 1.00 19.84 ? 143 SER A CB 1 ATOM 915 O OG . SER A 1 122 ? -8.770 -1.254 32.008 1.00 20.48 ? 143 SER A OG 1 ATOM 916 N N . ILE A 1 123 ? -6.243 -1.556 27.968 1.00 19.05 ? 144 ILE A N 1 ATOM 917 C CA . ILE A 1 123 ? -5.518 -1.062 26.802 1.00 18.97 ? 144 ILE A CA 1 ATOM 918 C C . ILE A 1 123 ? -5.923 -1.902 25.586 1.00 18.87 ? 144 ILE A C 1 ATOM 919 O O . ILE A 1 123 ? -6.362 -1.351 24.578 1.00 19.68 ? 144 ILE A O 1 ATOM 920 C CB . ILE A 1 123 ? -3.989 -1.097 27.017 1.00 18.87 ? 144 ILE A CB 1 ATOM 921 C CG1 . ILE A 1 123 ? -3.608 -0.203 28.205 1.00 18.64 ? 144 ILE A CG1 1 ATOM 922 C CG2 . ILE A 1 123 ? -3.264 -0.642 25.752 1.00 18.93 ? 144 ILE A CG2 1 ATOM 923 C CD1 . ILE A 1 123 ? -2.181 -0.361 28.678 1.00 18.48 ? 144 ILE A CD1 1 ATOM 924 N N . ALA A 1 124 ? -5.783 -3.224 25.688 1.00 18.19 ? 145 ALA A N 1 ATOM 925 C CA . ALA A 1 124 ? -6.252 -4.141 24.645 1.00 17.78 ? 145 ALA A CA 1 ATOM 926 C C . ALA A 1 124 ? -7.743 -4.386 24.818 1.00 17.43 ? 145 ALA A C 1 ATOM 927 O O . ALA A 1 124 ? -8.509 -4.338 23.855 1.00 17.39 ? 145 ALA A O 1 ATOM 928 C CB . ALA A 1 124 ? -5.496 -5.459 24.709 1.00 17.72 ? 145 ALA A CB 1 ATOM 929 N N . PHE A 1 125 ? -8.127 -4.675 26.057 1.00 16.99 ? 146 PHE A N 1 ATOM 930 C CA . PHE A 1 125 ? -9.522 -4.762 26.474 1.00 16.86 ? 146 PHE A CA 1 ATOM 931 C C . PHE A 1 125 ? -9.592 -4.939 28.000 1.00 17.21 ? 146 PHE A C 1 ATOM 932 O O . PHE A 1 125 ? -8.556 -5.020 28.672 1.00 16.84 ? 146 PHE A O 1 ATOM 933 C CB . PHE A 1 125 ? -10.289 -5.877 25.725 1.00 16.60 ? 146 PHE A CB 1 ATOM 934 C CG . PHE A 1 125 ? -9.652 -7.241 25.801 1.00 16.11 ? 146 PHE A CG 1 ATOM 935 C CD1 . PHE A 1 125 ? -9.870 -8.061 26.893 1.00 15.94 ? 146 PHE A CD1 1 ATOM 936 C CD2 . PHE A 1 125 ? -8.881 -7.727 24.750 1.00 15.99 ? 146 PHE A CD2 1 ATOM 937 C CE1 . PHE A 1 125 ? -9.298 -9.322 26.961 1.00 15.87 ? 146 PHE A CE1 1 ATOM 938 C CE2 . PHE A 1 125 ? -8.310 -8.990 24.807 1.00 15.79 ? 146 PHE A CE2 1 ATOM 939 C CZ . PHE A 1 125 ? -8.519 -9.790 25.917 1.00 15.72 ? 146 PHE A CZ 1 ATOM 940 N N . GLU A 1 126 ? -10.806 -4.970 28.545 1.00 17.82 ? 147 GLU A N 1 ATOM 941 C CA . GLU A 1 126 ? -10.997 -5.104 29.990 1.00 18.49 ? 147 GLU A CA 1 ATOM 942 C C . GLU A 1 126 ? -10.925 -6.569 30.407 1.00 18.11 ? 147 GLU A C 1 ATOM 943 O O . GLU A 1 126 ? -11.423 -7.436 29.703 1.00 17.51 ? 147 GLU A O 1 ATOM 944 C CB . GLU A 1 126 ? -12.338 -4.490 30.419 1.00 19.14 ? 147 GLU A CB 1 ATOM 945 C CG . GLU A 1 126 ? -12.515 -3.018 30.042 1.00 19.96 ? 147 GLU A CG 1 ATOM 946 C CD . GLU A 1 126 ? -11.433 -2.103 30.608 1.00 20.78 ? 147 GLU A CD 1 ATOM 947 O OE1 . GLU A 1 126 ? -10.836 -2.442 31.659 1.00 20.95 ? 147 GLU A OE1 1 ATOM 948 O OE2 . GLU A 1 126 ? -11.179 -1.035 30.001 1.00 21.45 ? 147 GLU A OE2 1 ATOM 949 N N . CYS A 1 127 ? -10.303 -6.830 31.557 1.00 18.30 ? 148 CYS A N 1 ATOM 950 C CA . CYS A 1 127 ? -10.119 -8.197 32.058 1.00 18.45 ? 148 CYS A CA 1 ATOM 951 C C . CYS A 1 127 ? -11.446 -8.942 32.174 1.00 18.95 ? 148 CYS A C 1 ATOM 952 O O . CYS A 1 127 ? -12.450 -8.372 32.604 1.00 18.93 ? 148 CYS A O 1 ATOM 953 C CB . CYS A 1 127 ? -9.432 -8.188 33.420 1.00 18.25 ? 148 CYS A CB 1 ATOM 954 S SG . CYS A 1 127 ? -7.703 -7.675 33.393 1.00 18.43 ? 148 CYS A SG 1 ATOM 955 N N . CYS A 1 128 ? -11.427 -10.218 31.787 1.00 19.56 ? 149 CYS A N 1 ATOM 956 C CA . CYS A 1 128 ? -12.610 -11.080 31.781 1.00 19.95 ? 149 CYS A CA 1 ATOM 957 C C . CYS A 1 128 ? -13.714 -10.555 30.852 1.00 19.78 ? 149 CYS A C 1 ATOM 958 O O . CYS A 1 128 ? -14.898 -10.821 31.070 1.00 19.45 ? 149 CYS A O 1 ATOM 959 C CB . CYS A 1 128 ? -13.137 -11.297 33.212 1.00 20.70 ? 149 CYS A CB 1 ATOM 960 S SG . CYS A 1 128 ? -12.280 -12.577 34.163 1.00 21.48 ? 149 CYS A SG 1 ATOM 961 N N . ALA A 1 129 ? -13.313 -9.832 29.805 1.00 19.88 ? 150 ALA A N 1 ATOM 962 C CA . ALA A 1 129 ? -14.254 -9.230 28.848 1.00 19.95 ? 150 ALA A CA 1 ATOM 963 C C . ALA A 1 129 ? -13.673 -9.223 27.429 1.00 19.95 ? 150 ALA A C 1 ATOM 964 O O . ALA A 1 129 ? -13.778 -8.231 26.705 1.00 19.61 ? 150 ALA A O 1 ATOM 965 C CB . ALA A 1 129 ? -14.619 -7.817 29.291 1.00 19.89 ? 150 ALA A CB 1 ATOM 966 N N . GLN A 1 130 ? -13.080 -10.352 27.044 1.00 20.39 ? 151 GLN A N 1 ATOM 967 C CA . GLN A 1 130 ? -12.377 -10.493 25.766 1.00 20.75 ? 151 GLN A CA 1 ATOM 968 C C . GLN A 1 130 ? -13.262 -10.189 24.557 1.00 22.13 ? 151 GLN A C 1 ATOM 969 O O . GLN A 1 130 ? -12.833 -9.496 23.637 1.00 22.28 ? 151 GLN A O 1 ATOM 970 C CB . GLN A 1 130 ? -11.787 -11.906 25.644 1.00 19.87 ? 151 GLN A CB 1 ATOM 971 C CG . GLN A 1 130 ? -11.016 -12.170 24.358 1.00 19.15 ? 151 GLN A CG 1 ATOM 972 C CD . GLN A 1 130 ? -10.488 -13.592 24.254 1.00 18.60 ? 151 GLN A CD 1 ATOM 973 O OE1 . GLN A 1 130 ? -10.382 -14.312 25.245 1.00 17.87 ? 151 GLN A OE1 1 ATOM 974 N NE2 . GLN A 1 130 ? -10.150 -14.001 23.039 1.00 18.80 ? 151 GLN A NE2 1 ATOM 975 N N . GLU A 1 131 ? -14.491 -10.702 24.571 1.00 23.87 ? 152 GLU A N 1 ATOM 976 C CA . GLU A 1 131 ? -15.396 -10.598 23.419 1.00 24.97 ? 152 GLU A CA 1 ATOM 977 C C . GLU A 1 131 ? -16.428 -9.458 23.523 1.00 24.42 ? 152 GLU A C 1 ATOM 978 O O . GLU A 1 131 ? -17.339 -9.372 22.698 1.00 23.60 ? 152 GLU A O 1 ATOM 979 C CB . GLU A 1 131 ? -16.112 -11.939 23.202 1.00 26.72 ? 152 GLU A CB 1 ATOM 980 C CG . GLU A 1 131 ? -15.204 -13.071 22.743 1.00 27.96 ? 152 GLU A CG 1 ATOM 981 C CD . GLU A 1 131 ? -15.755 -14.440 23.115 1.00 29.97 ? 152 GLU A CD 1 ATOM 982 O OE1 . GLU A 1 131 ? -16.167 -15.190 22.196 1.00 30.34 ? 152 GLU A OE1 1 ATOM 983 O OE2 . GLU A 1 131 ? -15.789 -14.757 24.331 1.00 31.43 ? 152 GLU A OE2 1 ATOM 984 N N . GLN A 1 132 ? -16.288 -8.582 24.517 1.00 24.24 ? 153 GLN A N 1 ATOM 985 C CA . GLN A 1 132 ? -17.129 -7.379 24.587 1.00 24.29 ? 153 GLN A CA 1 ATOM 986 C C . GLN A 1 132 ? -16.713 -6.417 23.469 1.00 24.08 ? 153 GLN A C 1 ATOM 987 O O . GLN A 1 132 ? -15.634 -6.572 22.894 1.00 24.23 ? 153 GLN A O 1 ATOM 988 C CB . GLN A 1 132 ? -17.020 -6.692 25.961 1.00 24.28 ? 153 GLN A CB 1 ATOM 989 C CG . GLN A 1 132 ? -17.627 -7.477 27.125 1.00 24.59 ? 153 GLN A CG 1 ATOM 990 C CD . GLN A 1 132 ? -19.080 -7.881 26.893 1.00 25.18 ? 153 GLN A CD 1 ATOM 991 O OE1 . GLN A 1 132 ? -19.995 -7.082 27.090 1.00 25.89 ? 153 GLN A OE1 1 ATOM 992 N NE2 . GLN A 1 132 ? -19.298 -9.133 26.485 1.00 25.20 ? 153 GLN A NE2 1 ATOM 993 N N . PRO A 1 133 ? -17.570 -5.431 23.139 1.00 23.56 ? 154 PRO A N 1 ATOM 994 C CA . PRO A 1 133 ? -17.165 -4.469 22.109 1.00 23.04 ? 154 PRO A CA 1 ATOM 995 C C . PRO A 1 133 ? -15.856 -3.760 22.476 1.00 22.49 ? 154 PRO A C 1 ATOM 996 O O . PRO A 1 133 ? -15.582 -3.564 23.659 1.00 22.17 ? 154 PRO A O 1 ATOM 997 C CB . PRO A 1 133 ? -18.335 -3.477 22.070 1.00 22.98 ? 154 PRO A CB 1 ATOM 998 C CG . PRO A 1 133 ? -19.501 -4.248 22.574 1.00 23.16 ? 154 PRO A CG 1 ATOM 999 C CD . PRO A 1 133 ? -18.950 -5.193 23.602 1.00 23.37 ? 154 PRO A CD 1 ATOM 1000 N N . PRO A 1 134 ? -15.048 -3.385 21.469 1.00 22.27 ? 155 PRO A N 1 ATOM 1001 C CA . PRO A 1 134 ? -13.742 -2.794 21.767 1.00 22.24 ? 155 PRO A CA 1 ATOM 1002 C C . PRO A 1 134 ? -13.785 -1.512 22.603 1.00 22.24 ? 155 PRO A C 1 ATOM 1003 O O . PRO A 1 134 ? -14.690 -0.694 22.455 1.00 21.63 ? 155 PRO A O 1 ATOM 1004 C CB . PRO A 1 134 ? -13.143 -2.502 20.381 1.00 22.15 ? 155 PRO A CB 1 ATOM 1005 C CG . PRO A 1 134 ? -14.242 -2.684 19.403 1.00 22.22 ? 155 PRO A CG 1 ATOM 1006 C CD . PRO A 1 134 ? -15.232 -3.615 20.027 1.00 22.29 ? 155 PRO A CD 1 ATOM 1007 N N . ILE A 1 135 ? -12.794 -1.367 23.479 1.00 22.49 ? 156 ILE A N 1 ATOM 1008 C CA . ILE A 1 135 ? -12.613 -0.152 24.259 1.00 22.63 ? 156 ILE A CA 1 ATOM 1009 C C . ILE A 1 135 ? -11.962 0.910 23.383 1.00 23.07 ? 156 ILE A C 1 ATOM 1010 O O . ILE A 1 135 ? -11.382 0.595 22.340 1.00 23.77 ? 156 ILE A O 1 ATOM 1011 C CB . ILE A 1 135 ? -11.774 -0.400 25.538 1.00 22.53 ? 156 ILE A CB 1 ATOM 1012 C CG1 . ILE A 1 135 ? -10.346 -0.844 25.205 1.00 22.30 ? 156 ILE A CG1 1 ATOM 1013 C CG2 . ILE A 1 135 ? -12.456 -1.433 26.427 1.00 22.40 ? 156 ILE A CG2 1 ATOM 1014 C CD1 . ILE A 1 135 ? -9.474 -1.000 26.429 1.00 22.30 ? 156 ILE A CD1 1 ATOM 1015 N N . THR A 1 136 ? -12.050 2.164 23.819 1.00 23.25 ? 157 THR A N 1 ATOM 1016 C CA . THR A 1 136 ? -11.644 3.310 23.000 1.00 23.40 ? 157 THR A CA 1 ATOM 1017 C C . THR A 1 136 ? -10.153 3.685 23.084 1.00 23.45 ? 157 THR A C 1 ATOM 1018 O O . THR A 1 136 ? -9.752 4.710 22.532 1.00 24.78 ? 157 THR A O 1 ATOM 1019 C CB . THR A 1 136 ? -12.485 4.551 23.373 1.00 23.40 ? 157 THR A CB 1 ATOM 1020 O OG1 . THR A 1 136 ? -12.522 4.688 24.799 1.00 23.62 ? 157 THR A OG1 1 ATOM 1021 C CG2 . THR A 1 136 ? -13.909 4.422 22.847 1.00 23.00 ? 157 THR A CG2 1 ATOM 1022 N N . SER A 1 137 ? -9.335 2.868 23.750 1.00 22.86 ? 158 SER A N 1 ATOM 1023 C CA . SER A 1 137 ? -7.921 3.206 23.972 1.00 22.35 ? 158 SER A CA 1 ATOM 1024 C C . SER A 1 137 ? -7.109 3.257 22.676 1.00 21.82 ? 158 SER A C 1 ATOM 1025 O O . SER A 1 137 ? -7.102 2.301 21.906 1.00 21.62 ? 158 SER A O 1 ATOM 1026 C CB . SER A 1 137 ? -7.273 2.200 24.936 1.00 22.65 ? 158 SER A CB 1 ATOM 1027 O OG . SER A 1 137 ? -5.882 2.454 25.101 1.00 22.64 ? 158 SER A OG 1 ATOM 1028 N N . THR A 1 138 ? -6.421 4.375 22.454 1.00 21.40 ? 159 THR A N 1 ATOM 1029 C CA . THR A 1 138 ? -5.476 4.518 21.335 1.00 21.16 ? 159 THR A CA 1 ATOM 1030 C C . THR A 1 138 ? -4.018 4.327 21.795 1.00 20.74 ? 159 THR A C 1 ATOM 1031 O O . THR A 1 138 ? -3.084 4.792 21.136 1.00 20.60 ? 159 THR A O 1 ATOM 1032 C CB . THR A 1 138 ? -5.623 5.902 20.642 1.00 21.13 ? 159 THR A CB 1 ATOM 1033 O OG1 . THR A 1 138 ? -5.271 6.961 21.549 1.00 20.59 ? 159 THR A OG1 1 ATOM 1034 C CG2 . THR A 1 138 ? -7.052 6.109 20.151 1.00 21.15 ? 159 THR A CG2 1 ATOM 1035 N N . ASP A 1 139 ? -3.835 3.609 22.902 1.00 20.46 ? 160 ASP A N 1 ATOM 1036 C CA . ASP A 1 139 ? -2.544 3.500 23.586 1.00 20.66 ? 160 ASP A CA 1 ATOM 1037 C C . ASP A 1 139 ? -1.715 2.307 23.071 1.00 19.70 ? 160 ASP A C 1 ATOM 1038 O O . ASP A 1 139 ? -1.284 1.450 23.840 1.00 19.52 ? 160 ASP A O 1 ATOM 1039 C CB . ASP A 1 139 ? -2.810 3.373 25.095 1.00 21.68 ? 160 ASP A CB 1 ATOM 1040 C CG . ASP A 1 139 ? -1.583 3.646 25.946 1.00 22.66 ? 160 ASP A CG 1 ATOM 1041 O OD1 . ASP A 1 139 ? -0.513 3.982 25.389 1.00 23.38 ? 160 ASP A OD1 1 ATOM 1042 O OD2 . ASP A 1 139 ? -1.701 3.529 27.189 1.00 23.84 ? 160 ASP A OD2 1 ATOM 1043 N N . PHE A 1 140 ? -1.466 2.290 21.767 1.00 18.93 ? 161 PHE A N 1 ATOM 1044 C CA . PHE A 1 140 ? -0.910 1.121 21.083 1.00 18.53 ? 161 PHE A CA 1 ATOM 1045 C C . PHE A 1 140 ? 0.499 0.769 21.561 1.00 18.32 ? 161 PHE A C 1 ATOM 1046 O O . PHE A 1 140 ? 1.319 1.658 21.781 1.00 18.53 ? 161 PHE A O 1 ATOM 1047 C CB . PHE A 1 140 ? -0.869 1.361 19.567 1.00 18.53 ? 161 PHE A CB 1 ATOM 1048 C CG . PHE A 1 140 ? -2.138 1.944 19.001 1.00 18.56 ? 161 PHE A CG 1 ATOM 1049 C CD1 . PHE A 1 140 ? -3.347 1.264 19.111 1.00 18.65 ? 161 PHE A CD1 1 ATOM 1050 C CD2 . PHE A 1 140 ? -2.126 3.172 18.353 1.00 18.70 ? 161 PHE A CD2 1 ATOM 1051 C CE1 . PHE A 1 140 ? -4.519 1.797 18.594 1.00 18.55 ? 161 PHE A CE1 1 ATOM 1052 C CE2 . PHE A 1 140 ? -3.297 3.711 17.829 1.00 18.77 ? 161 PHE A CE2 1 ATOM 1053 C CZ . PHE A 1 140 ? -4.495 3.022 17.951 1.00 18.57 ? 161 PHE A CZ 1 ATOM 1054 N N . THR A 1 141 ? 0.777 -0.527 21.712 1.00 17.92 ? 162 THR A N 1 ATOM 1055 C CA . THR A 1 141 ? 2.137 -1.000 22.000 1.00 17.55 ? 162 THR A CA 1 ATOM 1056 C C . THR A 1 141 ? 2.974 -0.981 20.717 1.00 17.44 ? 162 THR A C 1 ATOM 1057 O O . THR A 1 141 ? 4.163 -0.651 20.750 1.00 17.63 ? 162 THR A O 1 ATOM 1058 C CB . THR A 1 141 ? 2.147 -2.421 22.596 1.00 17.51 ? 162 THR A CB 1 ATOM 1059 O OG1 . THR A 1 141 ? 1.121 -2.537 23.585 1.00 17.35 ? 162 THR A OG1 1 ATOM 1060 C CG2 . THR A 1 141 ? 3.490 -2.726 23.231 1.00 17.49 ? 162 THR A CG2 1 ATOM 1061 N N . ILE A 1 142 ? 2.352 -1.353 19.597 1.00 17.03 ? 163 ILE A N 1 ATOM 1062 C CA . ILE A 1 142 ? 2.935 -1.130 18.276 1.00 16.76 ? 163 ILE A CA 1 ATOM 1063 C C . ILE A 1 142 ? 1.937 -0.360 17.421 1.00 16.57 ? 163 ILE A C 1 ATOM 1064 O O . ILE A 1 142 ? 0.840 -0.837 17.153 1.00 16.25 ? 163 ILE A O 1 ATOM 1065 C CB . ILE A 1 142 ? 3.322 -2.439 17.551 1.00 16.77 ? 163 ILE A CB 1 ATOM 1066 C CG1 . ILE A 1 142 ? 4.206 -3.316 18.444 1.00 16.78 ? 163 ILE A CG1 1 ATOM 1067 C CG2 . ILE A 1 142 ? 4.057 -2.128 16.247 1.00 16.64 ? 163 ILE A CG2 1 ATOM 1068 C CD1 . ILE A 1 142 ? 4.522 -4.673 17.854 1.00 16.76 ? 163 ILE A CD1 1 ATOM 1069 N N . ASN A 1 143 ? 2.339 0.836 17.002 1.00 16.77 ? 164 ASN A N 1 ATOM 1070 C CA . ASN A 1 143 ? 1.549 1.664 16.108 1.00 16.72 ? 164 ASN A CA 1 ATOM 1071 C C . ASN A 1 143 ? 2.060 1.500 14.685 1.00 16.77 ? 164 ASN A C 1 ATOM 1072 O O . ASN A 1 143 ? 3.016 2.160 14.287 1.00 16.91 ? 164 ASN A O 1 ATOM 1073 C CB . ASN A 1 143 ? 1.626 3.134 16.540 1.00 16.59 ? 164 ASN A CB 1 ATOM 1074 C CG . ASN A 1 143 ? 0.957 4.080 15.556 1.00 16.49 ? 164 ASN A CG 1 ATOM 1075 O OD1 . ASN A 1 143 ? 0.225 3.658 14.660 1.00 16.32 ? 164 ASN A OD1 1 ATOM 1076 N ND2 . ASN A 1 143 ? 1.207 5.371 15.722 1.00 16.56 ? 164 ASN A ND2 1 ATOM 1077 N N . GLY A 1 144 ? 1.420 0.607 13.933 1.00 16.94 ? 165 GLY A N 1 ATOM 1078 C CA . GLY A 1 144 ? 1.696 0.433 12.510 1.00 17.17 ? 165 GLY A CA 1 ATOM 1079 C C . GLY A 1 144 ? 0.565 0.968 11.648 1.00 17.48 ? 165 GLY A C 1 ATOM 1080 O O . GLY A 1 144 ? 0.237 0.386 10.617 1.00 17.20 ? 165 GLY A O 1 ATOM 1081 N N . ILE A 1 145 ? -0.041 2.070 12.085 1.00 18.24 ? 166 ILE A N 1 ATOM 1082 C CA . ILE A 1 145 ? -1.077 2.753 11.313 1.00 18.83 ? 166 ILE A CA 1 ATOM 1083 C C . ILE A 1 145 ? -0.455 3.267 10.017 1.00 19.37 ? 166 ILE A C 1 ATOM 1084 O O . ILE A 1 145 ? 0.601 3.896 10.046 1.00 19.45 ? 166 ILE A O 1 ATOM 1085 C CB . ILE A 1 145 ? -1.695 3.925 12.108 1.00 18.82 ? 166 ILE A CB 1 ATOM 1086 C CG1 . ILE A 1 145 ? -2.511 3.389 13.290 1.00 19.16 ? 166 ILE A CG1 1 ATOM 1087 C CG2 . ILE A 1 145 ? -2.595 4.762 11.220 1.00 18.74 ? 166 ILE A CG2 1 ATOM 1088 C CD1 . ILE A 1 145 ? -2.846 4.426 14.343 1.00 19.33 ? 166 ILE A CD1 1 ATOM 1089 N N . LYS A 1 146 ? -1.108 2.993 8.890 1.00 20.16 ? 167 LYS A N 1 ATOM 1090 C CA . LYS A 1 146 ? -0.518 3.256 7.576 1.00 21.10 ? 167 LYS A CA 1 ATOM 1091 C C . LYS A 1 146 ? -0.080 4.720 7.444 1.00 21.77 ? 167 LYS A C 1 ATOM 1092 O O . LYS A 1 146 ? -0.916 5.623 7.560 1.00 21.02 ? 167 LYS A O 1 ATOM 1093 C CB . LYS A 1 146 ? -1.489 2.878 6.448 1.00 21.39 ? 167 LYS A CB 1 ATOM 1094 C CG . LYS A 1 146 ? -0.967 3.205 5.055 1.00 21.77 ? 167 LYS A CG 1 ATOM 1095 C CD . LYS A 1 146 ? -1.426 2.207 4.005 1.00 22.11 ? 167 LYS A CD 1 ATOM 1096 C CE . LYS A 1 146 ? -1.470 2.832 2.616 1.00 22.47 ? 167 LYS A CE 1 ATOM 1097 N NZ . LYS A 1 146 ? -0.148 3.377 2.204 1.00 22.60 ? 167 LYS A NZ 1 ATOM 1098 N N . PRO A 1 147 ? 1.231 4.951 7.195 1.00 22.88 ? 168 PRO A N 1 ATOM 1099 C CA . PRO A 1 147 ? 1.834 6.288 7.167 1.00 23.86 ? 168 PRO A CA 1 ATOM 1100 C C . PRO A 1 147 ? 1.615 7.030 5.844 1.00 25.82 ? 168 PRO A C 1 ATOM 1101 O O . PRO A 1 147 ? 2.573 7.428 5.171 1.00 26.12 ? 168 PRO A O 1 ATOM 1102 C CB . PRO A 1 147 ? 3.318 5.995 7.404 1.00 23.55 ? 168 PRO A CB 1 ATOM 1103 C CG . PRO A 1 147 ? 3.519 4.681 6.742 1.00 23.54 ? 168 PRO A CG 1 ATOM 1104 C CD . PRO A 1 147 ? 2.248 3.904 6.974 1.00 23.10 ? 168 PRO A CD 1 ATOM 1105 N N . TRP A 1 148 ? 0.344 7.213 5.500 1.00 27.84 ? 169 TRP A N 1 ATOM 1106 C CA . TRP A 1 148 ? -0.079 7.964 4.324 1.00 29.24 ? 169 TRP A CA 1 ATOM 1107 C C . TRP A 1 148 ? 0.784 7.675 3.082 1.00 31.34 ? 169 TRP A C 1 ATOM 1108 O O . TRP A 1 148 ? 0.772 6.542 2.585 1.00 32.35 ? 169 TRP A O 1 ATOM 1109 C CB . TRP A 1 148 ? -0.207 9.453 4.684 1.00 28.81 ? 169 TRP A CB 1 ATOM 1110 C CG . TRP A 1 148 ? -1.295 9.661 5.714 1.00 28.47 ? 169 TRP A CG 1 ATOM 1111 C CD1 . TRP A 1 148 ? -1.159 9.618 7.073 1.00 28.35 ? 169 TRP A CD1 1 ATOM 1112 C CD2 . TRP A 1 148 ? -2.690 9.884 5.462 1.00 27.95 ? 169 TRP A CD2 1 ATOM 1113 N NE1 . TRP A 1 148 ? -2.375 9.822 7.680 1.00 27.74 ? 169 TRP A NE1 1 ATOM 1114 C CE2 . TRP A 1 148 ? -3.331 9.987 6.714 1.00 27.65 ? 169 TRP A CE2 1 ATOM 1115 C CE3 . TRP A 1 148 ? -3.456 10.019 4.300 1.00 27.86 ? 169 TRP A CE3 1 ATOM 1116 C CZ2 . TRP A 1 148 ? -4.706 10.219 6.835 1.00 27.72 ? 169 TRP A CZ2 1 ATOM 1117 C CZ3 . TRP A 1 148 ? -4.824 10.253 4.423 1.00 27.65 ? 169 TRP A CZ3 1 ATOM 1118 C CH2 . TRP A 1 148 ? -5.432 10.348 5.681 1.00 27.36 ? 169 TRP A CH2 1 ATOM 1119 N N . ASP A 1 149 ? 1.536 8.663 2.597 1.00 32.98 ? 170 ASP A N 1 ATOM 1120 C CA . ASP A 1 149 ? 2.242 8.536 1.312 1.00 34.50 ? 170 ASP A CA 1 ATOM 1121 C C . ASP A 1 149 ? 3.583 7.781 1.381 1.00 35.12 ? 170 ASP A C 1 ATOM 1122 O O . ASP A 1 149 ? 4.202 7.529 0.346 1.00 35.90 ? 170 ASP A O 1 ATOM 1123 C CB . ASP A 1 149 ? 2.469 9.925 0.703 1.00 35.04 ? 170 ASP A CB 1 ATOM 1124 N N . ALA A 1 150 ? 4.032 7.428 2.585 1.00 35.11 ? 171 ALA A N 1 ATOM 1125 C CA . ALA A 1 150 ? 5.318 6.756 2.756 1.00 35.14 ? 171 ALA A CA 1 ATOM 1126 C C . ALA A 1 150 ? 5.189 5.256 2.512 1.00 35.06 ? 171 ALA A C 1 ATOM 1127 O O . ALA A 1 150 ? 4.082 4.709 2.496 1.00 34.78 ? 171 ALA A O 1 ATOM 1128 C CB . ALA A 1 150 ? 5.874 7.021 4.150 1.00 35.42 ? 171 ALA A CB 1 ATOM 1129 N N . ALA A 1 151 ? 6.336 4.602 2.329 1.00 35.01 ? 172 ALA A N 1 ATOM 1130 C CA . ALA A 1 151 ? 6.386 3.156 2.086 1.00 34.96 ? 172 ALA A CA 1 ATOM 1131 C C . ALA A 1 151 ? 6.100 2.380 3.369 1.00 34.54 ? 172 ALA A C 1 ATOM 1132 O O . ALA A 1 151 ? 6.162 2.935 4.469 1.00 34.56 ? 172 ALA A O 1 ATOM 1133 C CB . ALA A 1 151 ? 7.745 2.754 1.521 1.00 34.49 ? 172 ALA A CB 1 ATOM 1134 N N . ALA A 1 152 ? 5.796 1.094 3.220 1.00 33.69 ? 173 ALA A N 1 ATOM 1135 C CA . ALA A 1 152 ? 5.503 0.239 4.362 1.00 33.27 ? 173 ALA A CA 1 ATOM 1136 C C . ALA A 1 152 ? 6.645 0.303 5.380 1.00 33.02 ? 173 ALA A C 1 ATOM 1137 O O . ALA A 1 152 ? 7.820 0.306 4.990 1.00 33.64 ? 173 ALA A O 1 ATOM 1138 C CB . ALA A 1 152 ? 5.277 -1.197 3.908 1.00 33.36 ? 173 ALA A CB 1 ATOM 1139 N N . PRO A 1 153 ? 6.306 0.369 6.685 1.00 32.05 ? 174 PRO A N 1 ATOM 1140 C CA . PRO A 1 153 ? 7.337 0.374 7.730 1.00 31.46 ? 174 PRO A CA 1 ATOM 1141 C C . PRO A 1 153 ? 8.007 -0.995 7.923 1.00 30.35 ? 174 PRO A C 1 ATOM 1142 O O . PRO A 1 153 ? 7.461 -2.027 7.517 1.00 30.62 ? 174 PRO A O 1 ATOM 1143 C CB . PRO A 1 153 ? 6.571 0.799 8.987 1.00 31.39 ? 174 PRO A CB 1 ATOM 1144 C CG . PRO A 1 153 ? 5.158 0.419 8.730 1.00 31.34 ? 174 PRO A CG 1 ATOM 1145 C CD . PRO A 1 153 ? 4.945 0.478 7.245 1.00 31.61 ? 174 PRO A CD 1 ATOM 1146 N N . THR A 1 154 ? 9.176 -0.984 8.554 1.00 28.77 ? 175 THR A N 1 ATOM 1147 C CA . THR A 1 154 ? 10.055 -2.153 8.616 1.00 27.71 ? 175 THR A CA 1 ATOM 1148 C C . THR A 1 154 ? 10.564 -2.374 10.050 1.00 25.93 ? 175 THR A C 1 ATOM 1149 O O . THR A 1 154 ? 11.150 -1.476 10.658 1.00 25.49 ? 175 THR A O 1 ATOM 1150 C CB . THR A 1 154 ? 11.238 -2.017 7.612 1.00 28.22 ? 175 THR A CB 1 ATOM 1151 O OG1 . THR A 1 154 ? 12.383 -2.744 8.083 1.00 28.36 ? 175 THR A OG1 1 ATOM 1152 C CG2 . THR A 1 154 ? 11.636 -0.547 7.410 1.00 28.46 ? 175 THR A CG2 1 ATOM 1153 N N . ASP A 1 155 ? 10.320 -3.573 10.578 1.00 24.10 ? 176 ASP A N 1 ATOM 1154 C CA . ASP A 1 155 ? 10.767 -3.969 11.921 1.00 22.92 ? 176 ASP A CA 1 ATOM 1155 C C . ASP A 1 155 ? 10.385 -2.974 13.021 1.00 21.75 ? 176 ASP A C 1 ATOM 1156 O O . ASP A 1 155 ? 11.254 -2.453 13.727 1.00 20.92 ? 176 ASP A O 1 ATOM 1157 C CB . ASP A 1 155 ? 12.286 -4.225 11.934 1.00 22.87 ? 176 ASP A CB 1 ATOM 1158 C CG . ASP A 1 155 ? 12.651 -5.623 11.468 1.00 22.74 ? 176 ASP A CG 1 ATOM 1159 O OD1 . ASP A 1 155 ? 11.878 -6.236 10.700 1.00 22.24 ? 176 ASP A OD1 1 ATOM 1160 O OD2 . ASP A 1 155 ? 13.719 -6.111 11.885 1.00 22.66 ? 176 ASP A OD2 1 ATOM 1161 N N . ILE A 1 156 ? 9.085 -2.723 13.166 1.00 20.62 ? 177 ILE A N 1 ATOM 1162 C CA . ILE A 1 156 ? 8.605 -1.806 14.202 1.00 20.25 ? 177 ILE A CA 1 ATOM 1163 C C . ILE A 1 156 ? 8.213 -2.581 15.455 1.00 19.65 ? 177 ILE A C 1 ATOM 1164 O O . ILE A 1 156 ? 7.528 -3.601 15.382 1.00 19.59 ? 177 ILE A O 1 ATOM 1165 C CB . ILE A 1 156 ? 7.468 -0.857 13.728 1.00 20.18 ? 177 ILE A CB 1 ATOM 1166 C CG1 . ILE A 1 156 ? 6.346 -1.607 13.009 1.00 20.19 ? 177 ILE A CG1 1 ATOM 1167 C CG2 . ILE A 1 156 ? 8.038 0.228 12.818 1.00 20.17 ? 177 ILE A CG2 1 ATOM 1168 C CD1 . ILE A 1 156 ? 5.112 -0.760 12.789 1.00 20.16 ? 177 ILE A CD1 1 ATOM 1169 N N . LYS A 1 157 ? 8.672 -2.082 16.598 1.00 19.07 ? 178 LYS A N 1 ATOM 1170 C CA . LYS A 1 157 ? 8.679 -2.836 17.842 1.00 18.71 ? 178 LYS A CA 1 ATOM 1171 C C . LYS A 1 157 ? 7.868 -2.159 18.924 1.00 18.22 ? 178 LYS A C 1 ATOM 1172 O O . LYS A 1 157 ? 7.623 -0.957 18.886 1.00 18.41 ? 178 LYS A O 1 ATOM 1173 C CB . LYS A 1 157 ? 10.114 -2.989 18.343 1.00 18.84 ? 178 LYS A CB 1 ATOM 1174 C CG . LYS A 1 157 ? 11.030 -3.703 17.366 1.00 19.23 ? 178 LYS A CG 1 ATOM 1175 C CD . LYS A 1 157 ? 12.476 -3.251 17.496 1.00 19.36 ? 178 LYS A CD 1 ATOM 1176 C CE . LYS A 1 157 ? 13.337 -3.853 16.395 1.00 19.43 ? 178 LYS A CE 1 ATOM 1177 N NZ . LYS A 1 157 ? 14.308 -2.854 15.867 1.00 19.75 ? 178 LYS A NZ 1 ATOM 1178 N N . GLY A 1 158 ? 7.467 -2.959 19.896 1.00 17.93 ? 179 GLY A N 1 ATOM 1179 C CA . GLY A 1 158 ? 6.784 -2.479 21.081 1.00 17.87 ? 179 GLY A CA 1 ATOM 1180 C C . GLY A 1 158 ? 7.107 -3.438 22.207 1.00 17.91 ? 179 GLY A C 1 ATOM 1181 O O . GLY A 1 158 ? 7.070 -4.659 22.017 1.00 18.06 ? 179 GLY A O 1 ATOM 1182 N N . SER A 1 159 ? 7.432 -2.891 23.373 1.00 17.57 ? 180 SER A N 1 ATOM 1183 C CA . SER A 1 159 ? 7.875 -3.695 24.492 1.00 17.21 ? 180 SER A CA 1 ATOM 1184 C C . SER A 1 159 ? 6.925 -3.566 25.667 1.00 17.08 ? 180 SER A C 1 ATOM 1185 O O . SER A 1 159 ? 6.417 -2.470 25.958 1.00 17.12 ? 180 SER A O 1 ATOM 1186 C CB . SER A 1 159 ? 9.287 -3.292 24.905 1.00 17.22 ? 180 SER A CB 1 ATOM 1187 O OG . SER A 1 159 ? 10.203 -3.634 23.885 1.00 17.66 ? 180 SER A OG 1 ATOM 1188 N N . THR A 1 160 ? 6.696 -4.700 26.329 1.00 16.47 ? 181 THR A N 1 ATOM 1189 C CA . THR A 1 160 ? 5.873 -4.771 27.519 1.00 16.22 ? 181 THR A CA 1 ATOM 1190 C C . THR A 1 160 ? 6.627 -5.565 28.575 1.00 16.22 ? 181 THR A C 1 ATOM 1191 O O . THR A 1 160 ? 7.094 -6.668 28.305 1.00 16.04 ? 181 THR A O 1 ATOM 1192 C CB . THR A 1 160 ? 4.534 -5.484 27.230 1.00 16.14 ? 181 THR A CB 1 ATOM 1193 O OG1 . THR A 1 160 ? 3.868 -4.855 26.129 1.00 15.88 ? 181 THR A OG1 1 ATOM 1194 C CG2 . THR A 1 160 ? 3.623 -5.456 28.456 1.00 16.22 ? 181 THR A CG2 1 ATOM 1195 N N . TYR A 1 161 ? 6.751 -5.001 29.774 1.00 16.35 ? 182 TYR A N 1 ATOM 1196 C CA . TYR A 1 161 ? 7.278 -5.746 30.911 1.00 16.27 ? 182 TYR A CA 1 ATOM 1197 C C . TYR A 1 161 ? 6.139 -6.583 31.484 1.00 15.96 ? 182 TYR A C 1 ATOM 1198 O O . TYR A 1 161 ? 5.056 -6.060 31.755 1.00 16.03 ? 182 TYR A O 1 ATOM 1199 C CB . TYR A 1 161 ? 7.864 -4.817 31.978 1.00 16.41 ? 182 TYR A CB 1 ATOM 1200 C CG . TYR A 1 161 ? 8.834 -5.525 32.896 1.00 16.82 ? 182 TYR A CG 1 ATOM 1201 C CD1 . TYR A 1 161 ? 8.380 -6.251 33.994 1.00 17.19 ? 182 TYR A CD1 1 ATOM 1202 C CD2 . TYR A 1 161 ? 10.205 -5.493 32.655 1.00 17.16 ? 182 TYR A CD2 1 ATOM 1203 C CE1 . TYR A 1 161 ? 9.265 -6.910 34.835 1.00 17.43 ? 182 TYR A CE1 1 ATOM 1204 C CE2 . TYR A 1 161 ? 11.101 -6.148 33.488 1.00 17.16 ? 182 TYR A CE2 1 ATOM 1205 C CZ . TYR A 1 161 ? 10.629 -6.854 34.576 1.00 17.18 ? 182 TYR A CZ 1 ATOM 1206 O OH . TYR A 1 161 ? 11.503 -7.512 35.406 1.00 16.80 ? 182 TYR A OH 1 ATOM 1207 N N . MET A 1 162 ? 6.382 -7.881 31.645 1.00 15.73 ? 183 MET A N 1 ATOM 1208 C CA . MET A 1 162 ? 5.356 -8.815 32.109 1.00 15.61 ? 183 MET A CA 1 ATOM 1209 C C . MET A 1 162 ? 5.857 -9.700 33.240 1.00 15.79 ? 183 MET A C 1 ATOM 1210 O O . MET A 1 162 ? 7.041 -10.043 33.300 1.00 15.69 ? 183 MET A O 1 ATOM 1211 C CB . MET A 1 162 ? 4.895 -9.702 30.962 1.00 15.30 ? 183 MET A CB 1 ATOM 1212 C CG . MET A 1 162 ? 4.218 -8.952 29.833 1.00 15.16 ? 183 MET A CG 1 ATOM 1213 S SD . MET A 1 162 ? 3.809 -10.046 28.471 1.00 14.69 ? 183 MET A SD 1 ATOM 1214 C CE . MET A 1 162 ? 2.651 -9.009 27.580 1.00 14.91 ? 183 MET A CE 1 ATOM 1215 N N . TYR A 1 163 ? 4.931 -10.085 34.115 1.00 16.11 ? 184 TYR A N 1 ATOM 1216 C CA . TYR A 1 163 ? 5.231 -10.938 35.264 1.00 16.30 ? 184 TYR A CA 1 ATOM 1217 C C . TYR A 1 163 ? 4.648 -12.330 35.052 1.00 15.94 ? 184 TYR A C 1 ATOM 1218 O O . TYR A 1 163 ? 3.545 -12.475 34.534 1.00 15.87 ? 184 TYR A O 1 ATOM 1219 C CB . TYR A 1 163 ? 4.708 -10.282 36.549 1.00 16.63 ? 184 TYR A CB 1 ATOM 1220 C CG . TYR A 1 163 ? 5.504 -9.042 36.906 1.00 16.93 ? 184 TYR A CG 1 ATOM 1221 C CD1 . TYR A 1 163 ? 5.198 -7.804 36.340 1.00 17.12 ? 184 TYR A CD1 1 ATOM 1222 C CD2 . TYR A 1 163 ? 6.594 -9.117 37.774 1.00 17.05 ? 184 TYR A CD2 1 ATOM 1223 C CE1 . TYR A 1 163 ? 5.942 -6.672 36.647 1.00 17.54 ? 184 TYR A CE1 1 ATOM 1224 C CE2 . TYR A 1 163 ? 7.345 -7.997 38.086 1.00 17.34 ? 184 TYR A CE2 1 ATOM 1225 C CZ . TYR A 1 163 ? 7.025 -6.775 37.520 1.00 17.72 ? 184 TYR A CZ 1 ATOM 1226 O OH . TYR A 1 163 ? 7.771 -5.653 37.842 1.00 17.79 ? 184 TYR A OH 1 ATOM 1227 N N . ALA A 1 164 ? 5.403 -13.348 35.450 1.00 15.78 ? 185 ALA A N 1 ATOM 1228 C CA . ALA A 1 164 ? 5.064 -14.745 35.150 1.00 15.73 ? 185 ALA A CA 1 ATOM 1229 C C . ALA A 1 164 ? 3.743 -15.211 35.779 1.00 15.50 ? 185 ALA A C 1 ATOM 1230 O O . ALA A 1 164 ? 3.427 -14.885 36.927 1.00 15.28 ? 185 ALA A O 1 ATOM 1231 C CB . ALA A 1 164 ? 6.202 -15.673 35.579 1.00 15.57 ? 185 ALA A CB 1 ATOM 1232 N N . GLY A 1 165 ? 2.982 -15.980 35.004 1.00 15.51 ? 186 GLY A N 1 ATOM 1233 C CA . GLY A 1 165 ? 1.742 -16.585 35.480 1.00 15.51 ? 186 GLY A CA 1 ATOM 1234 C C . GLY A 1 165 ? 0.503 -15.716 35.362 1.00 15.33 ? 186 GLY A C 1 ATOM 1235 O O . GLY A 1 165 ? -0.594 -16.164 35.711 1.00 15.60 ? 186 GLY A O 1 ATOM 1236 N N . TYR A 1 166 ? 0.666 -14.487 34.869 1.00 15.12 ? 187 TYR A N 1 ATOM 1237 C CA . TYR A 1 166 ? -0.457 -13.562 34.700 1.00 15.01 ? 187 TYR A CA 1 ATOM 1238 C C . TYR A 1 166 ? -0.825 -13.449 33.233 1.00 14.52 ? 187 TYR A C 1 ATOM 1239 O O . TYR A 1 166 ? 0.047 -13.395 32.374 1.00 14.38 ? 187 TYR A O 1 ATOM 1240 C CB . TYR A 1 166 ? -0.101 -12.177 35.234 1.00 15.50 ? 187 TYR A CB 1 ATOM 1241 C CG . TYR A 1 166 ? -0.057 -12.101 36.739 1.00 16.05 ? 187 TYR A CG 1 ATOM 1242 C CD1 . TYR A 1 166 ? 1.138 -12.253 37.433 1.00 16.30 ? 187 TYR A CD1 1 ATOM 1243 C CD2 . TYR A 1 166 ? -1.217 -11.877 37.470 1.00 16.49 ? 187 TYR A CD2 1 ATOM 1244 C CE1 . TYR A 1 166 ? 1.173 -12.179 38.819 1.00 16.75 ? 187 TYR A CE1 1 ATOM 1245 C CE2 . TYR A 1 166 ? -1.194 -11.803 38.851 1.00 16.67 ? 187 TYR A CE2 1 ATOM 1246 C CZ . TYR A 1 166 ? -0.002 -11.952 39.521 1.00 16.76 ? 187 TYR A CZ 1 ATOM 1247 O OH . TYR A 1 166 ? 0.000 -11.876 40.890 1.00 16.97 ? 187 TYR A OH 1 ATOM 1248 N N . TYR A 1 167 ? -2.123 -13.400 32.954 1.00 14.00 ? 188 TYR A N 1 ATOM 1249 C CA . TYR A 1 167 ? -2.621 -13.266 31.587 1.00 13.37 ? 188 TYR A CA 1 ATOM 1250 C C . TYR A 1 167 ? -2.695 -11.793 31.177 1.00 13.10 ? 188 TYR A C 1 ATOM 1251 O O . TYR A 1 167 ? -3.336 -10.991 31.850 1.00 13.05 ? 188 TYR A O 1 ATOM 1252 C CB . TYR A 1 167 ? -3.994 -13.921 31.483 1.00 13.27 ? 188 TYR A CB 1 ATOM 1253 C CG . TYR A 1 167 ? -3.943 -15.424 31.619 1.00 13.07 ? 188 TYR A CG 1 ATOM 1254 C CD1 . TYR A 1 167 ? -3.894 -16.029 32.868 1.00 12.98 ? 188 TYR A CD1 1 ATOM 1255 C CD2 . TYR A 1 167 ? -3.926 -16.241 30.494 1.00 13.00 ? 188 TYR A CD2 1 ATOM 1256 C CE1 . TYR A 1 167 ? -3.838 -17.406 32.993 1.00 12.87 ? 188 TYR A CE1 1 ATOM 1257 C CE2 . TYR A 1 167 ? -3.869 -17.617 30.608 1.00 12.99 ? 188 TYR A CE2 1 ATOM 1258 C CZ . TYR A 1 167 ? -3.827 -18.196 31.861 1.00 12.85 ? 188 TYR A CZ 1 ATOM 1259 O OH . TYR A 1 167 ? -3.773 -19.564 31.975 1.00 12.76 ? 188 TYR A OH 1 ATOM 1260 N N . TYR A 1 168 ? -2.028 -11.445 30.078 1.00 12.75 ? 189 TYR A N 1 ATOM 1261 C CA . TYR A 1 168 ? -2.026 -10.078 29.558 1.00 12.46 ? 189 TYR A CA 1 ATOM 1262 C C . TYR A 1 168 ? -2.872 -10.017 28.289 1.00 12.25 ? 189 TYR A C 1 ATOM 1263 O O . TYR A 1 168 ? -2.533 -10.662 27.298 1.00 11.99 ? 189 TYR A O 1 ATOM 1264 C CB . TYR A 1 168 ? -0.595 -9.615 29.244 1.00 12.48 ? 189 TYR A CB 1 ATOM 1265 C CG . TYR A 1 168 ? 0.242 -9.347 30.473 1.00 12.45 ? 189 TYR A CG 1 ATOM 1266 C CD1 . TYR A 1 168 ? 0.816 -10.395 31.189 1.00 12.47 ? 189 TYR A CD1 1 ATOM 1267 C CD2 . TYR A 1 168 ? 0.458 -8.047 30.925 1.00 12.44 ? 189 TYR A CD2 1 ATOM 1268 C CE1 . TYR A 1 168 ? 1.577 -10.157 32.324 1.00 12.38 ? 189 TYR A CE1 1 ATOM 1269 C CE2 . TYR A 1 168 ? 1.221 -7.799 32.058 1.00 12.38 ? 189 TYR A CE2 1 ATOM 1270 C CZ . TYR A 1 168 ? 1.776 -8.859 32.752 1.00 12.32 ? 189 TYR A CZ 1 ATOM 1271 O OH . TYR A 1 168 ? 2.531 -8.628 33.878 1.00 12.27 ? 189 TYR A OH 1 ATOM 1272 N N . PRO A 1 169 ? -3.977 -9.244 28.313 1.00 12.08 ? 190 PRO A N 1 ATOM 1273 C CA . PRO A 1 169 ? -4.805 -9.039 27.127 1.00 12.00 ? 190 PRO A CA 1 ATOM 1274 C C . PRO A 1 169 ? -4.011 -8.501 25.940 1.00 12.14 ? 190 PRO A C 1 ATOM 1275 O O . PRO A 1 169 ? -3.228 -7.561 26.090 1.00 11.99 ? 190 PRO A O 1 ATOM 1276 C CB . PRO A 1 169 ? -5.827 -7.999 27.588 1.00 11.99 ? 190 PRO A CB 1 ATOM 1277 C CG . PRO A 1 169 ? -5.944 -8.222 29.047 1.00 12.03 ? 190 PRO A CG 1 ATOM 1278 C CD . PRO A 1 169 ? -4.559 -8.591 29.498 1.00 12.02 ? 190 PRO A CD 1 ATOM 1279 N N . ILE A 1 170 ? -4.205 -9.116 24.777 1.00 12.32 ? 191 ILE A N 1 ATOM 1280 C CA . ILE A 1 170 ? -3.604 -8.643 23.545 1.00 12.43 ? 191 ILE A CA 1 ATOM 1281 C C . ILE A 1 170 ? -4.682 -8.493 22.481 1.00 12.54 ? 191 ILE A C 1 ATOM 1282 O O . ILE A 1 170 ? -5.591 -9.314 22.384 1.00 12.39 ? 191 ILE A O 1 ATOM 1283 C CB . ILE A 1 170 ? -2.472 -9.567 23.038 1.00 12.62 ? 191 ILE A CB 1 ATOM 1284 C CG1 . ILE A 1 170 ? -2.937 -11.022 22.939 1.00 12.78 ? 191 ILE A CG1 1 ATOM 1285 C CG2 . ILE A 1 170 ? -1.254 -9.481 23.954 1.00 12.67 ? 191 ILE A CG2 1 ATOM 1286 C CD1 . ILE A 1 170 ? -1.949 -11.903 22.202 1.00 12.93 ? 191 ILE A CD1 1 ATOM 1287 N N . LYS A 1 171 ? -4.590 -7.411 21.716 1.00 12.73 ? 192 LYS A N 1 ATOM 1288 C CA . LYS A 1 171 ? -5.443 -7.196 20.569 1.00 12.96 ? 192 LYS A CA 1 ATOM 1289 C C . LYS A 1 171 ? -4.596 -6.701 19.415 1.00 12.99 ? 192 LYS A C 1 ATOM 1290 O O . LYS A 1 171 ? -3.868 -5.724 19.562 1.00 13.27 ? 192 LYS A O 1 ATOM 1291 C CB . LYS A 1 171 ? -6.518 -6.153 20.875 1.00 13.21 ? 192 LYS A CB 1 ATOM 1292 C CG . LYS A 1 171 ? -7.411 -5.830 19.683 1.00 13.32 ? 192 LYS A CG 1 ATOM 1293 C CD . LYS A 1 171 ? -8.506 -4.849 20.047 1.00 13.57 ? 192 LYS A CD 1 ATOM 1294 C CE . LYS A 1 171 ? -7.971 -3.437 20.206 1.00 13.78 ? 192 LYS A CE 1 ATOM 1295 N NZ . LYS A 1 171 ? -9.058 -2.475 20.542 1.00 13.93 ? 192 LYS A NZ 1 ATOM 1296 N N . ILE A 1 172 ? -4.685 -7.392 18.280 1.00 12.88 ? 193 ILE A N 1 ATOM 1297 C CA . ILE A 1 172 ? -4.134 -6.910 17.021 1.00 12.67 ? 193 ILE A CA 1 ATOM 1298 C C . ILE A 1 172 ? -5.308 -6.551 16.126 1.00 12.74 ? 193 ILE A C 1 ATOM 1299 O O . ILE A 1 172 ? -6.263 -7.325 15.997 1.00 12.80 ? 193 ILE A O 1 ATOM 1300 C CB . ILE A 1 172 ? -3.254 -7.977 16.326 1.00 12.52 ? 193 ILE A CB 1 ATOM 1301 C CG1 . ILE A 1 172 ? -1.930 -8.143 17.075 1.00 12.40 ? 193 ILE A CG1 1 ATOM 1302 C CG2 . ILE A 1 172 ? -2.980 -7.613 14.866 1.00 12.43 ? 193 ILE A CG2 1 ATOM 1303 C CD1 . ILE A 1 172 ? -1.188 -9.415 16.725 1.00 12.34 ? 193 ILE A CD1 1 ATOM 1304 N N . VAL A 1 173 ? -5.243 -5.368 15.527 1.00 12.72 ? 194 VAL A N 1 ATOM 1305 C CA . VAL A 1 173 ? -6.203 -4.971 14.511 1.00 12.88 ? 194 VAL A CA 1 ATOM 1306 C C . VAL A 1 173 ? -5.426 -4.666 13.243 1.00 13.07 ? 194 VAL A C 1 ATOM 1307 O O . VAL A 1 173 ? -4.582 -3.777 13.238 1.00 13.38 ? 194 VAL A O 1 ATOM 1308 C CB . VAL A 1 173 ? -7.037 -3.750 14.948 1.00 12.76 ? 194 VAL A CB 1 ATOM 1309 C CG1 . VAL A 1 173 ? -7.892 -3.231 13.799 1.00 12.70 ? 194 VAL A CG1 1 ATOM 1310 C CG2 . VAL A 1 173 ? -7.910 -4.117 16.139 1.00 12.72 ? 194 VAL A CG2 1 ATOM 1311 N N . TYR A 1 174 ? -5.714 -5.417 12.184 1.00 13.28 ? 195 TYR A N 1 ATOM 1312 C CA . TYR A 1 174 ? -5.011 -5.301 10.912 1.00 13.44 ? 195 TYR A CA 1 ATOM 1313 C C . TYR A 1 174 ? -6.003 -4.998 9.795 1.00 13.66 ? 195 TYR A C 1 ATOM 1314 O O . TYR A 1 174 ? -7.126 -5.494 9.808 1.00 13.82 ? 195 TYR A O 1 ATOM 1315 C CB . TYR A 1 174 ? -4.259 -6.606 10.606 1.00 13.41 ? 195 TYR A CB 1 ATOM 1316 C CG . TYR A 1 174 ? -3.845 -6.732 9.164 1.00 13.41 ? 195 TYR A CG 1 ATOM 1317 C CD1 . TYR A 1 174 ? -4.710 -7.283 8.217 1.00 13.57 ? 195 TYR A CD1 1 ATOM 1318 C CD2 . TYR A 1 174 ? -2.609 -6.276 8.736 1.00 13.53 ? 195 TYR A CD2 1 ATOM 1319 C CE1 . TYR A 1 174 ? -4.344 -7.385 6.885 1.00 13.55 ? 195 TYR A CE1 1 ATOM 1320 C CE2 . TYR A 1 174 ? -2.230 -6.375 7.408 1.00 13.64 ? 195 TYR A CE2 1 ATOM 1321 C CZ . TYR A 1 174 ? -3.103 -6.930 6.491 1.00 13.64 ? 195 TYR A CZ 1 ATOM 1322 O OH . TYR A 1 174 ? -2.734 -7.022 5.180 1.00 13.75 ? 195 TYR A OH 1 ATOM 1323 N N . SER A 1 175 ? -5.581 -4.194 8.822 1.00 13.89 ? 196 SER A N 1 ATOM 1324 C CA . SER A 1 175 ? -6.414 -3.893 7.663 1.00 13.98 ? 196 SER A CA 1 ATOM 1325 C C . SER A 1 175 ? -5.612 -3.872 6.360 1.00 14.21 ? 196 SER A C 1 ATOM 1326 O O . SER A 1 175 ? -4.431 -3.522 6.348 1.00 14.21 ? 196 SER A O 1 ATOM 1327 C CB . SER A 1 175 ? -7.124 -2.554 7.857 1.00 13.97 ? 196 SER A CB 1 ATOM 1328 O OG . SER A 1 175 ? -8.203 -2.434 6.949 1.00 14.15 ? 196 SER A OG 1 ATOM 1329 N N . ASN A 1 176 ? -6.273 -4.255 5.270 1.00 14.59 ? 197 ASN A N 1 ATOM 1330 C CA . ASN A 1 176 ? -5.700 -4.194 3.930 1.00 14.96 ? 197 ASN A CA 1 ATOM 1331 C C . ASN A 1 176 ? -6.719 -3.599 2.974 1.00 15.46 ? 197 ASN A C 1 ATOM 1332 O O . ASN A 1 176 ? -7.912 -3.823 3.132 1.00 15.59 ? 197 ASN A O 1 ATOM 1333 C CB . ASN A 1 176 ? -5.316 -5.599 3.462 1.00 14.87 ? 197 ASN A CB 1 ATOM 1334 C CG . ASN A 1 176 ? -4.403 -5.593 2.246 1.00 14.73 ? 197 ASN A CG 1 ATOM 1335 O OD1 . ASN A 1 176 ? -3.663 -4.637 2.001 1.00 14.52 ? 197 ASN A OD1 1 ATOM 1336 N ND2 . ASN A 1 176 ? -4.439 -6.681 1.483 1.00 14.70 ? 197 ASN A ND2 1 ATOM 1337 N N . ALA A 1 177 ? -6.246 -2.814 2.010 1.00 16.08 ? 198 ALA A N 1 ATOM 1338 C CA . ALA A 1 177 ? -7.107 -2.201 0.995 1.00 16.47 ? 198 ALA A CA 1 ATOM 1339 C C . ALA A 1 177 ? -6.811 -2.706 -0.411 1.00 17.06 ? 198 ALA A C 1 ATOM 1340 O O . ALA A 1 177 ? -7.614 -2.493 -1.322 1.00 17.31 ? 198 ALA A O 1 ATOM 1341 C CB . ALA A 1 177 ? -6.951 -0.688 1.026 1.00 16.50 ? 198 ALA A CB 1 ATOM 1342 N N . LYS A 1 178 ? -5.666 -3.361 -0.601 1.00 17.74 ? 199 LYS A N 1 ATOM 1343 C CA . LYS A 1 178 ? -5.207 -3.690 -1.936 1.00 18.62 ? 199 LYS A CA 1 ATOM 1344 C C . LYS A 1 178 ? -4.123 -4.752 -1.924 1.00 18.61 ? 199 LYS A C 1 ATOM 1345 O O . LYS A 1 178 ? -3.274 -4.764 -1.035 1.00 18.79 ? 199 LYS A O 1 ATOM 1346 C CB . LYS A 1 178 ? -4.641 -2.433 -2.599 1.00 19.86 ? 199 LYS A CB 1 ATOM 1347 C CG . LYS A 1 178 ? -4.771 -2.412 -4.115 1.00 20.97 ? 199 LYS A CG 1 ATOM 1348 C CD . LYS A 1 178 ? -3.682 -1.573 -4.781 1.00 21.74 ? 199 LYS A CD 1 ATOM 1349 C CE . LYS A 1 178 ? -3.513 -0.208 -4.128 1.00 22.27 ? 199 LYS A CE 1 ATOM 1350 N NZ . LYS A 1 178 ? -2.821 0.735 -5.051 1.00 22.86 ? 199 LYS A NZ 1 ATOM 1351 N N . ALA A 1 179 ? -4.163 -5.636 -2.921 1.00 18.55 ? 200 ALA A N 1 ATOM 1352 C CA . ALA A 1 179 ? -3.047 -6.531 -3.253 1.00 18.16 ? 200 ALA A CA 1 ATOM 1353 C C . ALA A 1 179 ? -2.562 -7.390 -2.076 1.00 17.70 ? 200 ALA A C 1 ATOM 1354 O O . ALA A 1 179 ? -3.355 -8.113 -1.481 1.00 17.81 ? 200 ALA A O 1 ATOM 1355 C CB . ALA A 1 179 ? -1.905 -5.721 -3.868 1.00 18.13 ? 200 ALA A CB 1 ATOM 1356 N N . LEU A 1 180 ? -1.272 -7.307 -1.747 1.00 17.40 ? 201 LEU A N 1 ATOM 1357 C CA . LEU A 1 180 ? -0.657 -8.135 -0.700 1.00 16.69 ? 201 LEU A CA 1 ATOM 1358 C C . LEU A 1 180 ? -1.211 -7.819 0.684 1.00 15.91 ? 201 LEU A C 1 ATOM 1359 O O . LEU A 1 180 ? -1.526 -6.668 0.989 1.00 15.46 ? 201 LEU A O 1 ATOM 1360 C CB . LEU A 1 180 ? 0.870 -7.936 -0.670 1.00 16.67 ? 201 LEU A CB 1 ATOM 1361 C CG . LEU A 1 180 ? 1.764 -8.685 -1.661 1.00 16.72 ? 201 LEU A CG 1 ATOM 1362 C CD1 . LEU A 1 180 ? 1.210 -8.655 -3.074 1.00 16.90 ? 201 LEU A CD1 1 ATOM 1363 C CD2 . LEU A 1 180 ? 3.170 -8.100 -1.638 1.00 16.77 ? 201 LEU A CD2 1 ATOM 1364 N N . ALA A 1 181 ? -1.325 -8.862 1.502 1.00 15.24 ? 202 ALA A N 1 ATOM 1365 C CA . ALA A 1 181 ? -1.595 -8.725 2.923 1.00 14.88 ? 202 ALA A CA 1 ATOM 1366 C C . ALA A 1 181 ? -0.420 -9.319 3.683 1.00 14.54 ? 202 ALA A C 1 ATOM 1367 O O . ALA A 1 181 ? -0.160 -10.518 3.586 1.00 14.35 ? 202 ALA A O 1 ATOM 1368 C CB . ALA A 1 181 ? -2.877 -9.448 3.295 1.00 15.03 ? 202 ALA A CB 1 ATOM 1369 N N . ARG A 1 182 ? 0.291 -8.476 4.425 1.00 14.29 ? 203 ARG A N 1 ATOM 1370 C CA . ARG A 1 182 ? 1.494 -8.894 5.143 1.00 14.14 ? 203 ARG A CA 1 ATOM 1371 C C . ARG A 1 182 ? 1.547 -8.291 6.534 1.00 13.81 ? 203 ARG A C 1 ATOM 1372 O O . ARG A 1 182 ? 1.662 -7.072 6.688 1.00 13.79 ? 203 ARG A O 1 ATOM 1373 C CB . ARG A 1 182 ? 2.760 -8.474 4.389 1.00 14.28 ? 203 ARG A CB 1 ATOM 1374 C CG . ARG A 1 182 ? 2.915 -9.098 3.016 1.00 14.50 ? 203 ARG A CG 1 ATOM 1375 C CD . ARG A 1 182 ? 4.175 -8.588 2.335 1.00 14.55 ? 203 ARG A CD 1 ATOM 1376 N NE . ARG A 1 182 ? 4.009 -7.201 1.906 1.00 14.73 ? 203 ARG A NE 1 ATOM 1377 C CZ . ARG A 1 182 ? 4.994 -6.319 1.755 1.00 14.82 ? 203 ARG A CZ 1 ATOM 1378 N NH1 . ARG A 1 182 ? 6.259 -6.642 2.005 1.00 14.96 ? 203 ARG A NH1 1 ATOM 1379 N NH2 . ARG A 1 182 ? 4.706 -5.089 1.362 1.00 14.97 ? 203 ARG A NH2 1 ATOM 1380 N N . LEU A 1 183 ? 1.459 -9.157 7.539 1.00 13.58 ? 204 LEU A N 1 ATOM 1381 C CA . LEU A 1 183 ? 1.773 -8.797 8.915 1.00 13.34 ? 204 LEU A CA 1 ATOM 1382 C C . LEU A 1 183 ? 2.500 -9.986 9.550 1.00 13.22 ? 204 LEU A C 1 ATOM 1383 O O . LEU A 1 183 ? 1.861 -10.885 10.086 1.00 13.02 ? 204 LEU A O 1 ATOM 1384 C CB . LEU A 1 183 ? 0.503 -8.436 9.695 1.00 13.19 ? 204 LEU A CB 1 ATOM 1385 C CG . LEU A 1 183 ? 0.734 -7.856 11.097 1.00 13.10 ? 204 LEU A CG 1 ATOM 1386 C CD1 . LEU A 1 183 ? 1.254 -6.426 11.014 1.00 13.01 ? 204 LEU A CD1 1 ATOM 1387 C CD2 . LEU A 1 183 ? -0.535 -7.930 11.938 1.00 13.02 ? 204 LEU A CD2 1 ATOM 1388 N N . PRO A 1 184 ? 3.843 -10.011 9.455 1.00 13.30 ? 205 PRO A N 1 ATOM 1389 C CA . PRO A 1 184 ? 4.639 -11.056 10.106 1.00 13.30 ? 205 PRO A CA 1 ATOM 1390 C C . PRO A 1 184 ? 4.922 -10.717 11.574 1.00 13.22 ? 205 PRO A C 1 ATOM 1391 O O . PRO A 1 184 ? 5.768 -9.872 11.868 1.00 13.03 ? 205 PRO A O 1 ATOM 1392 C CB . PRO A 1 184 ? 5.929 -11.103 9.269 1.00 13.33 ? 205 PRO A CB 1 ATOM 1393 C CG . PRO A 1 184 ? 5.729 -10.147 8.132 1.00 13.41 ? 205 PRO A CG 1 ATOM 1394 C CD . PRO A 1 184 ? 4.682 -9.179 8.583 1.00 13.35 ? 205 PRO A CD 1 ATOM 1395 N N . VAL A 1 185 ? 4.196 -11.382 12.472 1.00 13.28 ? 206 VAL A N 1 ATOM 1396 C CA . VAL A 1 185 ? 4.211 -11.080 13.898 1.00 13.41 ? 206 VAL A CA 1 ATOM 1397 C C . VAL A 1 185 ? 5.174 -12.000 14.641 1.00 13.62 ? 206 VAL A C 1 ATOM 1398 O O . VAL A 1 185 ? 5.164 -13.222 14.440 1.00 13.97 ? 206 VAL A O 1 ATOM 1399 C CB . VAL A 1 185 ? 2.809 -11.248 14.522 1.00 13.33 ? 206 VAL A CB 1 ATOM 1400 C CG1 . VAL A 1 185 ? 2.846 -10.957 16.020 1.00 13.35 ? 206 VAL A CG1 1 ATOM 1401 C CG2 . VAL A 1 185 ? 1.799 -10.353 13.815 1.00 13.29 ? 206 VAL A CG2 1 ATOM 1402 N N . SER A 1 186 ? 5.993 -11.406 15.503 1.00 13.49 ? 207 SER A N 1 ATOM 1403 C CA . SER A 1 186 ? 6.876 -12.167 16.373 1.00 13.57 ? 207 SER A CA 1 ATOM 1404 C C . SER A 1 186 ? 7.041 -11.497 17.743 1.00 13.69 ? 207 SER A C 1 ATOM 1405 O O . SER A 1 186 ? 6.530 -10.394 17.987 1.00 13.54 ? 207 SER A O 1 ATOM 1406 C CB . SER A 1 186 ? 8.240 -12.364 15.705 1.00 13.46 ? 207 SER A CB 1 ATOM 1407 O OG . SER A 1 186 ? 8.960 -11.150 15.627 1.00 13.40 ? 207 SER A OG 1 ATOM 1408 N N . VAL A 1 187 ? 7.733 -12.194 18.638 1.00 13.76 ? 208 VAL A N 1 ATOM 1409 C CA . VAL A 1 187 ? 8.100 -11.647 19.935 1.00 13.85 ? 208 VAL A CA 1 ATOM 1410 C C . VAL A 1 187 ? 9.451 -12.203 20.379 1.00 14.13 ? 208 VAL A C 1 ATOM 1411 O O . VAL A 1 187 ? 9.724 -13.399 20.232 1.00 13.86 ? 208 VAL A O 1 ATOM 1412 C CB . VAL A 1 187 ? 7.033 -11.943 21.011 1.00 13.70 ? 208 VAL A CB 1 ATOM 1413 C CG1 . VAL A 1 187 ? 6.764 -13.437 21.126 1.00 13.76 ? 208 VAL A CG1 1 ATOM 1414 C CG2 . VAL A 1 187 ? 7.448 -11.362 22.355 1.00 13.63 ? 208 VAL A CG2 1 ATOM 1415 N N . VAL A 1 188 ? 10.293 -11.316 20.901 1.00 14.57 ? 209 VAL A N 1 ATOM 1416 C CA . VAL A 1 188 ? 11.527 -11.713 21.555 1.00 14.91 ? 209 VAL A CA 1 ATOM 1417 C C . VAL A 1 188 ? 11.236 -11.786 23.040 1.00 15.39 ? 209 VAL A C 1 ATOM 1418 O O . VAL A 1 188 ? 10.756 -10.821 23.635 1.00 15.44 ? 209 VAL A O 1 ATOM 1419 C CB . VAL A 1 188 ? 12.673 -10.730 21.272 1.00 14.85 ? 209 VAL A CB 1 ATOM 1420 C CG1 . VAL A 1 188 ? 13.894 -11.059 22.127 1.00 14.86 ? 209 VAL A CG1 1 ATOM 1421 C CG2 . VAL A 1 188 ? 13.031 -10.768 19.792 1.00 14.76 ? 209 VAL A CG2 1 ATOM 1422 N N . LEU A 1 189 ? 11.523 -12.946 23.620 1.00 16.20 ? 210 LEU A N 1 ATOM 1423 C CA . LEU A 1 189 ? 11.196 -13.249 25.013 1.00 16.61 ? 210 LEU A CA 1 ATOM 1424 C C . LEU A 1 189 ? 12.319 -12.720 25.912 1.00 17.28 ? 210 LEU A C 1 ATOM 1425 O O . LEU A 1 189 ? 13.370 -12.321 25.405 1.00 17.32 ? 210 LEU A O 1 ATOM 1426 C CB . LEU A 1 189 ? 11.017 -14.763 25.177 1.00 16.55 ? 210 LEU A CB 1 ATOM 1427 C CG . LEU A 1 189 ? 10.117 -15.468 24.149 1.00 16.35 ? 210 LEU A CG 1 ATOM 1428 C CD1 . LEU A 1 189 ? 10.327 -16.970 24.193 1.00 16.29 ? 210 LEU A CD1 1 ATOM 1429 C CD2 . LEU A 1 189 ? 8.651 -15.132 24.373 1.00 16.27 ? 210 LEU A CD2 1 ATOM 1430 N N . PRO A 1 190 ? 12.104 -12.699 27.243 1.00 18.10 ? 211 PRO A N 1 ATOM 1431 C CA . PRO A 1 190 ? 13.129 -12.232 28.187 1.00 18.73 ? 211 PRO A CA 1 ATOM 1432 C C . PRO A 1 190 ? 14.493 -12.917 28.063 1.00 19.95 ? 211 PRO A C 1 ATOM 1433 O O . PRO A 1 190 ? 15.514 -12.268 28.275 1.00 20.01 ? 211 PRO A O 1 ATOM 1434 C CB . PRO A 1 190 ? 12.511 -12.544 29.549 1.00 18.50 ? 211 PRO A CB 1 ATOM 1435 C CG . PRO A 1 190 ? 11.049 -12.415 29.320 1.00 18.49 ? 211 PRO A CG 1 ATOM 1436 C CD . PRO A 1 190 ? 10.807 -12.897 27.911 1.00 18.30 ? 211 PRO A CD 1 ATOM 1437 N N . ASP A 1 191 ? 14.509 -14.208 27.728 1.00 21.53 ? 212 ASP A N 1 ATOM 1438 C CA . ASP A 1 191 ? 15.773 -14.944 27.573 1.00 22.65 ? 212 ASP A CA 1 ATOM 1439 C C . ASP A 1 191 ? 16.487 -14.634 26.250 1.00 22.71 ? 212 ASP A C 1 ATOM 1440 O O . ASP A 1 191 ? 17.645 -15.017 26.068 1.00 23.03 ? 212 ASP A O 1 ATOM 1441 C CB . ASP A 1 191 ? 15.579 -16.466 27.768 1.00 23.34 ? 212 ASP A CB 1 ATOM 1442 C CG . ASP A 1 191 ? 14.573 -17.078 26.798 1.00 24.39 ? 212 ASP A CG 1 ATOM 1443 O OD1 . ASP A 1 191 ? 14.445 -16.580 25.656 1.00 24.77 ? 212 ASP A OD1 1 ATOM 1444 O OD2 . ASP A 1 191 ? 13.911 -18.074 27.182 1.00 25.19 ? 212 ASP A OD2 1 ATOM 1445 N N . GLY A 1 192 ? 15.799 -13.946 25.338 1.00 22.89 ? 213 GLY A N 1 ATOM 1446 C CA . GLY A 1 192 ? 16.390 -13.500 24.072 1.00 22.91 ? 213 GLY A CA 1 ATOM 1447 C C . GLY A 1 192 ? 15.934 -14.282 22.850 1.00 22.78 ? 213 GLY A C 1 ATOM 1448 O O . GLY A 1 192 ? 16.172 -13.856 21.716 1.00 23.09 ? 213 GLY A O 1 ATOM 1449 N N . THR A 1 193 ? 15.278 -15.418 23.072 1.00 22.62 ? 214 THR A N 1 ATOM 1450 C CA . THR A 1 193 ? 14.822 -16.273 21.980 1.00 22.99 ? 214 THR A CA 1 ATOM 1451 C C . THR A 1 193 ? 13.565 -15.709 21.319 1.00 22.95 ? 214 THR A C 1 ATOM 1452 O O . THR A 1 193 ? 12.737 -15.075 21.984 1.00 22.91 ? 214 THR A O 1 ATOM 1453 C CB . THR A 1 193 ? 14.549 -17.709 22.466 1.00 23.40 ? 214 THR A CB 1 ATOM 1454 O OG1 . THR A 1 193 ? 13.555 -17.692 23.495 1.00 23.19 ? 214 THR A OG1 1 ATOM 1455 C CG2 . THR A 1 193 ? 15.839 -18.346 23.014 1.00 23.75 ? 214 THR A CG2 1 ATOM 1456 N N . GLU A 1 194 ? 13.433 -15.958 20.015 1.00 22.45 ? 215 GLU A N 1 ATOM 1457 C CA . GLU A 1 194 ? 12.394 -15.350 19.190 1.00 22.28 ? 215 GLU A CA 1 ATOM 1458 C C . GLU A 1 194 ? 11.300 -16.354 18.854 1.00 22.40 ? 215 GLU A C 1 ATOM 1459 O O . GLU A 1 194 ? 11.590 -17.487 18.469 1.00 23.06 ? 215 GLU A O 1 ATOM 1460 C CB . GLU A 1 194 ? 12.994 -14.824 17.882 1.00 22.50 ? 215 GLU A CB 1 ATOM 1461 C CG . GLU A 1 194 ? 14.298 -14.054 18.036 1.00 22.81 ? 215 GLU A CG 1 ATOM 1462 N N . VAL A 1 195 ? 10.046 -15.927 18.981 1.00 21.85 ? 216 VAL A N 1 ATOM 1463 C CA . VAL A 1 195 ? 8.903 -16.738 18.586 1.00 21.38 ? 216 VAL A CA 1 ATOM 1464 C C . VAL A 1 195 ? 8.226 -16.082 17.384 1.00 21.51 ? 216 VAL A C 1 ATOM 1465 O O . VAL A 1 195 ? 7.663 -15.000 17.508 1.00 21.10 ? 216 VAL A O 1 ATOM 1466 C CB . VAL A 1 195 ? 7.903 -16.888 19.751 1.00 21.30 ? 216 VAL A CB 1 ATOM 1467 C CG1 . VAL A 1 195 ? 6.659 -17.656 19.313 1.00 20.86 ? 216 VAL A CG1 1 ATOM 1468 C CG2 . VAL A 1 195 ? 8.579 -17.565 20.940 1.00 21.18 ? 216 VAL A CG2 1 ATOM 1469 N N . ASN A 1 196 ? 8.298 -16.746 16.226 1.00 22.31 ? 217 ASN A N 1 ATOM 1470 C CA . ASN A 1 196 ? 7.707 -16.260 14.968 1.00 22.37 ? 217 ASN A CA 1 ATOM 1471 C C . ASN A 1 196 ? 6.407 -16.999 14.637 1.00 22.47 ? 217 ASN A C 1 ATOM 1472 O O . ASN A 1 196 ? 6.327 -18.215 14.808 1.00 21.75 ? 217 ASN A O 1 ATOM 1473 C CB . ASN A 1 196 ? 8.690 -16.464 13.806 1.00 22.63 ? 217 ASN A CB 1 ATOM 1474 C CG . ASN A 1 196 ? 9.908 -15.558 13.892 1.00 23.22 ? 217 ASN A CG 1 ATOM 1475 O OD1 . ASN A 1 196 ? 9.789 -14.335 13.839 1.00 23.57 ? 217 ASN A OD1 1 ATOM 1476 N ND2 . ASN A 1 196 ? 11.091 -16.156 13.997 1.00 23.62 ? 217 ASN A ND2 1 ATOM 1477 N N . ASP A 1 197 ? 5.404 -16.252 14.165 1.00 22.98 ? 218 ASP A N 1 ATOM 1478 C CA . ASP A 1 197 ? 4.123 -16.798 13.667 1.00 23.13 ? 218 ASP A CA 1 ATOM 1479 C C . ASP A 1 197 ? 3.333 -17.623 14.695 1.00 22.20 ? 218 ASP A C 1 ATOM 1480 O O . ASP A 1 197 ? 2.260 -17.198 15.128 1.00 21.87 ? 218 ASP A O 1 ATOM 1481 C CB . ASP A 1 197 ? 4.332 -17.601 12.363 1.00 24.38 ? 218 ASP A CB 1 ATOM 1482 C CG . ASP A 1 197 ? 3.009 -17.925 11.631 1.00 25.92 ? 218 ASP A CG 1 ATOM 1483 O OD1 . ASP A 1 197 ? 1.948 -17.351 11.970 1.00 27.32 ? 218 ASP A OD1 1 ATOM 1484 O OD2 . ASP A 1 197 ? 3.025 -18.762 10.699 1.00 26.92 ? 218 ASP A OD2 1 ATOM 1485 N N . ASP A 1 198 ? 3.848 -18.795 15.063 1.00 21.33 ? 219 ASP A N 1 ATOM 1486 C CA . ASP A 1 198 ? 3.135 -19.709 15.956 1.00 20.93 ? 219 ASP A CA 1 ATOM 1487 C C . ASP A 1 198 ? 3.306 -19.304 17.419 1.00 19.46 ? 219 ASP A C 1 ATOM 1488 O O . ASP A 1 198 ? 4.409 -19.350 17.961 1.00 18.80 ? 219 ASP A O 1 ATOM 1489 C CB . ASP A 1 198 ? 3.613 -21.152 15.748 1.00 21.80 ? 219 ASP A CB 1 ATOM 1490 C CG . ASP A 1 198 ? 2.693 -22.185 16.408 1.00 22.94 ? 219 ASP A CG 1 ATOM 1491 O OD1 . ASP A 1 198 ? 1.630 -21.809 16.954 1.00 23.23 ? 219 ASP A OD1 1 ATOM 1492 O OD2 . ASP A 1 198 ? 3.031 -23.391 16.368 1.00 24.16 ? 219 ASP A OD2 1 ATOM 1493 N N . PHE A 1 199 ? 2.200 -18.921 18.050 1.00 18.35 ? 220 PHE A N 1 ATOM 1494 C CA . PHE A 1 199 ? 2.211 -18.465 19.438 1.00 17.62 ? 220 PHE A CA 1 ATOM 1495 C C . PHE A 1 199 ? 1.586 -19.481 20.390 1.00 17.10 ? 220 PHE A C 1 ATOM 1496 O O . PHE A 1 199 ? 1.287 -19.156 21.539 1.00 16.71 ? 220 PHE A O 1 ATOM 1497 C CB . PHE A 1 199 ? 1.510 -17.104 19.550 1.00 17.40 ? 220 PHE A CB 1 ATOM 1498 C CG . PHE A 1 199 ? 2.408 -15.943 19.255 1.00 17.22 ? 220 PHE A CG 1 ATOM 1499 C CD1 . PHE A 1 199 ? 2.819 -15.684 17.957 1.00 17.15 ? 220 PHE A CD1 1 ATOM 1500 C CD2 . PHE A 1 199 ? 2.848 -15.110 20.274 1.00 17.26 ? 220 PHE A CD2 1 ATOM 1501 C CE1 . PHE A 1 199 ? 3.655 -14.618 17.676 1.00 17.24 ? 220 PHE A CE1 1 ATOM 1502 C CE2 . PHE A 1 199 ? 3.680 -14.035 20.002 1.00 17.25 ? 220 PHE A CE2 1 ATOM 1503 C CZ . PHE A 1 199 ? 4.086 -13.790 18.701 1.00 17.37 ? 220 PHE A CZ 1 ATOM 1504 N N . GLU A 1 200 ? 1.424 -20.720 19.928 1.00 17.04 ? 221 GLU A N 1 ATOM 1505 C CA . GLU A 1 200 ? 0.808 -21.763 20.748 1.00 17.02 ? 221 GLU A CA 1 ATOM 1506 C C . GLU A 1 200 ? 1.623 -22.017 22.020 1.00 16.48 ? 221 GLU A C 1 ATOM 1507 O O . GLU A 1 200 ? 2.853 -22.183 21.969 1.00 16.59 ? 221 GLU A O 1 ATOM 1508 C CB . GLU A 1 200 ? 0.616 -23.062 19.956 1.00 17.53 ? 221 GLU A CB 1 ATOM 1509 C CG . GLU A 1 200 ? 0.066 -24.206 20.806 1.00 18.12 ? 221 GLU A CG 1 ATOM 1510 C CD . GLU A 1 200 ? -0.834 -25.170 20.049 1.00 18.78 ? 221 GLU A CD 1 ATOM 1511 O OE1 . GLU A 1 200 ? -0.813 -25.203 18.791 1.00 19.02 ? 221 GLU A OE1 1 ATOM 1512 O OE2 . GLU A 1 200 ? -1.577 -25.909 20.737 1.00 19.50 ? 221 GLU A OE2 1 ATOM 1513 N N . GLY A 1 201 ? 0.922 -22.033 23.152 1.00 15.55 ? 222 GLY A N 1 ATOM 1514 C CA . GLY A 1 201 ? 1.547 -22.118 24.463 1.00 15.01 ? 222 GLY A CA 1 ATOM 1515 C C . GLY A 1 201 ? 1.525 -20.781 25.180 1.00 14.58 ? 222 GLY A C 1 ATOM 1516 O O . GLY A 1 201 ? 1.592 -20.738 26.412 1.00 14.25 ? 222 GLY A O 1 ATOM 1517 N N . TYR A 1 202 ? 1.428 -19.693 24.408 1.00 14.12 ? 223 TYR A N 1 ATOM 1518 C CA . TYR A 1 202 ? 1.459 -18.327 24.952 1.00 13.78 ? 223 TYR A CA 1 ATOM 1519 C C . TYR A 1 202 ? 0.100 -17.643 24.909 1.00 13.63 ? 223 TYR A C 1 ATOM 1520 O O . TYR A 1 202 ? -0.257 -16.938 25.848 1.00 13.84 ? 223 TYR A O 1 ATOM 1521 C CB . TYR A 1 202 ? 2.477 -17.473 24.191 1.00 13.58 ? 223 TYR A CB 1 ATOM 1522 C CG . TYR A 1 202 ? 3.866 -18.048 24.212 1.00 13.46 ? 223 TYR A CG 1 ATOM 1523 C CD1 . TYR A 1 202 ? 4.759 -17.726 25.235 1.00 13.38 ? 223 TYR A CD1 1 ATOM 1524 C CD2 . TYR A 1 202 ? 4.286 -18.932 23.227 1.00 13.44 ? 223 TYR A CD2 1 ATOM 1525 C CE1 . TYR A 1 202 ? 6.032 -18.264 25.272 1.00 13.30 ? 223 TYR A CE1 1 ATOM 1526 C CE2 . TYR A 1 202 ? 5.561 -19.476 23.253 1.00 13.49 ? 223 TYR A CE2 1 ATOM 1527 C CZ . TYR A 1 202 ? 6.428 -19.140 24.278 1.00 13.40 ? 223 TYR A CZ 1 ATOM 1528 O OH . TYR A 1 202 ? 7.693 -19.675 24.299 1.00 13.42 ? 223 TYR A OH 1 ATOM 1529 N N . VAL A 1 203 ? -0.650 -17.843 23.825 1.00 13.51 ? 224 VAL A N 1 ATOM 1530 C CA . VAL A 1 203 ? -1.929 -17.148 23.627 1.00 13.33 ? 224 VAL A CA 1 ATOM 1531 C C . VAL A 1 203 ? -3.122 -18.055 23.922 1.00 13.11 ? 224 VAL A C 1 ATOM 1532 O O . VAL A 1 203 ? -3.152 -19.217 23.524 1.00 13.05 ? 224 VAL A O 1 ATOM 1533 C CB . VAL A 1 203 ? -2.051 -16.514 22.219 1.00 13.37 ? 224 VAL A CB 1 ATOM 1534 C CG1 . VAL A 1 203 ? -0.985 -15.448 22.031 1.00 13.50 ? 224 VAL A CG1 1 ATOM 1535 C CG2 . VAL A 1 203 ? -1.950 -17.551 21.113 1.00 13.41 ? 224 VAL A CG2 1 ATOM 1536 N N . TYR A 1 204 ? -4.095 -17.512 24.647 1.00 13.07 ? 225 TYR A N 1 ATOM 1537 C CA . TYR A 1 204 ? -5.254 -18.271 25.108 1.00 13.10 ? 225 TYR A CA 1 ATOM 1538 C C . TYR A 1 204 ? -6.484 -17.388 25.070 1.00 13.36 ? 225 TYR A C 1 ATOM 1539 O O . TYR A 1 204 ? -6.372 -16.164 24.995 1.00 13.30 ? 225 TYR A O 1 ATOM 1540 C CB . TYR A 1 204 ? -5.028 -18.771 26.542 1.00 12.98 ? 225 TYR A CB 1 ATOM 1541 C CG . TYR A 1 204 ? -3.835 -19.691 26.695 1.00 12.87 ? 225 TYR A CG 1 ATOM 1542 C CD1 . TYR A 1 204 ? -2.559 -19.178 26.920 1.00 12.79 ? 225 TYR A CD1 1 ATOM 1543 C CD2 . TYR A 1 204 ? -3.982 -21.072 26.615 1.00 12.84 ? 225 TYR A CD2 1 ATOM 1544 C CE1 . TYR A 1 204 ? -1.462 -20.011 27.053 1.00 12.71 ? 225 TYR A CE1 1 ATOM 1545 C CE2 . TYR A 1 204 ? -2.893 -21.917 26.749 1.00 12.85 ? 225 TYR A CE2 1 ATOM 1546 C CZ . TYR A 1 204 ? -1.632 -21.384 26.966 1.00 12.82 ? 225 TYR A CZ 1 ATOM 1547 O OH . TYR A 1 204 ? -0.547 -22.227 27.100 1.00 12.62 ? 225 TYR A OH 1 ATOM 1548 N N . SER A 1 205 ? -7.655 -18.013 25.122 1.00 13.81 ? 226 SER A N 1 ATOM 1549 C CA . SER A 1 205 ? -8.917 -17.285 25.233 1.00 14.35 ? 226 SER A CA 1 ATOM 1550 C C . SER A 1 205 ? -9.723 -17.774 26.442 1.00 14.92 ? 226 SER A C 1 ATOM 1551 O O . SER A 1 205 ? -9.585 -18.923 26.870 1.00 14.99 ? 226 SER A O 1 ATOM 1552 C CB . SER A 1 205 ? -9.747 -17.458 23.956 1.00 14.35 ? 226 SER A CB 1 ATOM 1553 O OG . SER A 1 205 ? -9.083 -16.903 22.832 1.00 14.50 ? 226 SER A OG 1 ATOM 1554 N N . PHE A 1 206 ? -10.548 -16.885 26.994 1.00 15.48 ? 227 PHE A N 1 ATOM 1555 C CA . PHE A 1 206 ? -11.566 -17.259 27.978 1.00 16.13 ? 227 PHE A CA 1 ATOM 1556 C C . PHE A 1 206 ? -12.908 -16.673 27.539 1.00 17.09 ? 227 PHE A C 1 ATOM 1557 O O . PHE A 1 206 ? -12.955 -15.553 27.007 1.00 17.14 ? 227 PHE A O 1 ATOM 1558 C CB . PHE A 1 206 ? -11.216 -16.715 29.375 1.00 15.89 ? 227 PHE A CB 1 ATOM 1559 C CG . PHE A 1 206 ? -9.955 -17.289 29.966 1.00 15.52 ? 227 PHE A CG 1 ATOM 1560 C CD1 . PHE A 1 206 ? -8.711 -16.803 29.583 1.00 15.40 ? 227 PHE A CD1 1 ATOM 1561 C CD2 . PHE A 1 206 ? -10.012 -18.299 30.917 1.00 15.43 ? 227 PHE A CD2 1 ATOM 1562 C CE1 . PHE A 1 206 ? -7.548 -17.319 30.126 1.00 15.31 ? 227 PHE A CE1 1 ATOM 1563 C CE2 . PHE A 1 206 ? -8.849 -18.820 31.466 1.00 15.44 ? 227 PHE A CE2 1 ATOM 1564 C CZ . PHE A 1 206 ? -7.616 -18.327 31.072 1.00 15.36 ? 227 PHE A CZ 1 ATOM 1565 N N . ASP A 1 207 ? -13.990 -17.424 27.755 1.00 18.29 ? 228 ASP A N 1 ATOM 1566 C CA . ASP A 1 207 ? -15.357 -16.881 27.643 1.00 19.18 ? 228 ASP A CA 1 ATOM 1567 C C . ASP A 1 207 ? -15.513 -15.706 28.612 1.00 19.63 ? 228 ASP A C 1 ATOM 1568 O O . ASP A 1 207 ? -14.960 -15.744 29.711 1.00 19.50 ? 228 ASP A O 1 ATOM 1569 C CB . ASP A 1 207 ? -16.405 -17.948 28.001 1.00 19.63 ? 228 ASP A CB 1 ATOM 1570 C CG . ASP A 1 207 ? -16.750 -18.867 26.837 1.00 19.93 ? 228 ASP A CG 1 ATOM 1571 O OD1 . ASP A 1 207 ? -15.828 -19.383 26.171 1.00 20.25 ? 228 ASP A OD1 1 ATOM 1572 O OD2 . ASP A 1 207 ? -17.960 -19.083 26.604 1.00 20.32 ? 228 ASP A OD2 1 ATOM 1573 N N . ASP A 1 208 ? -16.265 -14.679 28.217 1.00 20.40 ? 229 ASP A N 1 ATOM 1574 C CA . ASP A 1 208 ? -16.493 -13.510 29.082 1.00 21.07 ? 229 ASP A CA 1 ATOM 1575 C C . ASP A 1 208 ? -17.191 -13.899 30.387 1.00 21.59 ? 229 ASP A C 1 ATOM 1576 O O . ASP A 1 208 ? -18.114 -14.718 30.387 1.00 21.87 ? 229 ASP A O 1 ATOM 1577 C CB . ASP A 1 208 ? -17.338 -12.446 28.371 1.00 21.36 ? 229 ASP A CB 1 ATOM 1578 C CG . ASP A 1 208 ? -16.586 -11.730 27.264 1.00 21.77 ? 229 ASP A CG 1 ATOM 1579 O OD1 . ASP A 1 208 ? -15.418 -12.089 26.988 1.00 22.41 ? 229 ASP A OD1 1 ATOM 1580 O OD2 . ASP A 1 208 ? -17.173 -10.803 26.660 1.00 21.56 ? 229 ASP A OD2 1 ATOM 1581 N N . ASP A 1 209 ? -16.741 -13.301 31.489 1.00 22.13 ? 230 ASP A N 1 ATOM 1582 C CA . ASP A 1 209 ? -17.335 -13.518 32.805 1.00 22.90 ? 230 ASP A CA 1 ATOM 1583 C C . ASP A 1 209 ? -17.069 -12.297 33.692 1.00 23.76 ? 230 ASP A C 1 ATOM 1584 O O . ASP A 1 209 ? -16.047 -12.226 34.378 1.00 23.73 ? 230 ASP A O 1 ATOM 1585 C CB . ASP A 1 209 ? -16.775 -14.792 33.449 1.00 23.00 ? 230 ASP A CB 1 ATOM 1586 C CG . ASP A 1 209 ? -17.284 -15.011 34.871 1.00 23.11 ? 230 ASP A CG 1 ATOM 1587 O OD1 . ASP A 1 209 ? -18.261 -14.355 35.281 1.00 23.00 ? 230 ASP A OD1 1 ATOM 1588 O OD2 . ASP A 1 209 ? -16.700 -15.847 35.584 1.00 23.67 ? 230 ASP A OD2 1 ATOM 1589 N N . LEU A 1 210 ? -18.006 -11.348 33.673 1.00 24.87 ? 231 LEU A N 1 ATOM 1590 C CA . LEU A 1 210 ? -17.865 -10.096 34.422 1.00 25.65 ? 231 LEU A CA 1 ATOM 1591 C C . LEU A 1 210 ? -18.341 -10.206 35.871 1.00 26.51 ? 231 LEU A C 1 ATOM 1592 O O . LEU A 1 210 ? -18.183 -9.265 36.647 1.00 26.18 ? 231 LEU A O 1 ATOM 1593 C CB . LEU A 1 210 ? -18.587 -8.958 33.695 1.00 25.53 ? 231 LEU A CB 1 ATOM 1594 C CG . LEU A 1 210 ? -17.907 -8.534 32.388 1.00 25.81 ? 231 LEU A CG 1 ATOM 1595 C CD1 . LEU A 1 210 ? -18.855 -7.734 31.507 1.00 25.81 ? 231 LEU A CD1 1 ATOM 1596 C CD2 . LEU A 1 210 ? -16.629 -7.746 32.669 1.00 26.12 ? 231 LEU A CD2 1 ATOM 1597 N N . SER A 1 211 ? -18.906 -11.356 36.232 1.00 28.10 ? 232 SER A N 1 ATOM 1598 C CA . SER A 1 211 ? -19.254 -11.651 37.627 1.00 29.57 ? 232 SER A CA 1 ATOM 1599 C C . SER A 1 211 ? -18.010 -11.906 38.493 1.00 30.40 ? 232 SER A C 1 ATOM 1600 O O . SER A 1 211 ? -18.047 -11.696 39.706 1.00 31.23 ? 232 SER A O 1 ATOM 1601 C CB . SER A 1 211 ? -20.202 -12.857 37.702 1.00 29.88 ? 232 SER A CB 1 ATOM 1602 O OG . SER A 1 211 ? -19.533 -14.068 37.385 1.00 29.83 ? 232 SER A OG 1 ATOM 1603 N N . GLN A 1 212 ? -16.922 -12.363 37.871 1.00 31.32 ? 233 GLN A N 1 ATOM 1604 C CA . GLN A 1 212 ? -15.642 -12.558 38.560 1.00 31.84 ? 233 GLN A CA 1 ATOM 1605 C C . GLN A 1 212 ? -14.990 -11.201 38.861 1.00 33.29 ? 233 GLN A C 1 ATOM 1606 O O . GLN A 1 212 ? -14.366 -10.593 37.991 1.00 34.55 ? 233 GLN A O 1 ATOM 1607 C CB . GLN A 1 212 ? -14.712 -13.425 37.707 1.00 31.05 ? 233 GLN A CB 1 ATOM 1608 C CG . GLN A 1 212 ? -13.482 -13.928 38.445 1.00 30.80 ? 233 GLN A CG 1 ATOM 1609 C CD . GLN A 1 212 ? -12.382 -14.413 37.513 1.00 29.96 ? 233 GLN A CD 1 ATOM 1610 O OE1 . GLN A 1 212 ? -12.644 -15.036 36.480 1.00 28.86 ? 233 GLN A OE1 1 ATOM 1611 N NE2 . GLN A 1 212 ? -11.137 -14.133 37.884 1.00 29.47 ? 233 GLN A NE2 1 ATOM 1612 N N . SER A 1 213 ? -15.139 -10.736 40.099 1.00 35.48 ? 234 SER A N 1 ATOM 1613 C CA . SER A 1 213 ? -14.727 -9.374 40.486 1.00 36.96 ? 234 SER A CA 1 ATOM 1614 C C . SER A 1 213 ? -13.205 -9.172 40.577 1.00 36.23 ? 234 SER A C 1 ATOM 1615 O O . SER A 1 213 ? -12.702 -8.083 40.267 1.00 36.26 ? 234 SER A O 1 ATOM 1616 C CB . SER A 1 213 ? -15.374 -8.983 41.825 1.00 38.04 ? 234 SER A CB 1 ATOM 1617 O OG . SER A 1 213 ? -16.788 -9.107 41.779 1.00 38.59 ? 234 SER A OG 1 ATOM 1618 N N . ASN A 1 214 ? -12.484 -10.216 40.996 1.00 34.81 ? 235 ASN A N 1 ATOM 1619 C CA . ASN A 1 214 ? -11.024 -10.153 41.160 1.00 33.70 ? 235 ASN A CA 1 ATOM 1620 C C . ASN A 1 214 ? -10.218 -10.562 39.915 1.00 31.05 ? 235 ASN A C 1 ATOM 1621 O O . ASN A 1 214 ? -9.079 -11.021 40.030 1.00 31.01 ? 235 ASN A O 1 ATOM 1622 C CB . ASN A 1 214 ? -10.597 -11.014 42.355 1.00 35.14 ? 235 ASN A CB 1 ATOM 1623 C CG . ASN A 1 214 ? -10.757 -12.498 42.092 1.00 37.22 ? 235 ASN A CG 1 ATOM 1624 O OD1 . ASN A 1 214 ? -11.544 -12.902 41.230 1.00 37.55 ? 235 ASN A OD1 1 ATOM 1625 N ND2 . ASN A 1 214 ? -10.008 -13.325 42.833 1.00 39.34 ? 235 ASN A ND2 1 ATOM 1626 N N . CYS A 1 215 ? -10.804 -10.388 38.733 1.00 28.09 ? 236 CYS A N 1 ATOM 1627 C CA . CYS A 1 215 ? -10.149 -10.773 37.485 1.00 25.83 ? 236 CYS A CA 1 ATOM 1628 C C . CYS A 1 215 ? -9.028 -9.798 37.111 1.00 25.18 ? 236 CYS A C 1 ATOM 1629 O O . CYS A 1 215 ? -8.016 -10.206 36.556 1.00 25.16 ? 236 CYS A O 1 ATOM 1630 C CB . CYS A 1 215 ? -11.176 -10.850 36.351 1.00 24.54 ? 236 CYS A CB 1 ATOM 1631 S SG . CYS A 1 215 ? -10.595 -11.678 34.849 1.00 22.97 ? 236 CYS A SG 1 ATOM 1632 N N . THR A 1 216 ? -9.216 -8.516 37.412 1.00 24.60 ? 237 THR A N 1 ATOM 1633 C CA . THR A 1 216 ? -8.234 -7.483 37.085 1.00 24.20 ? 237 THR A CA 1 ATOM 1634 C C . THR A 1 216 ? -7.096 -7.465 38.105 1.00 24.51 ? 237 THR A C 1 ATOM 1635 O O . THR A 1 216 ? -7.341 -7.472 39.313 1.00 25.03 ? 237 THR A O 1 ATOM 1636 C CB . THR A 1 216 ? -8.896 -6.088 37.049 1.00 23.83 ? 237 THR A CB 1 ATOM 1637 O OG1 . THR A 1 216 ? -9.940 -6.075 36.069 1.00 23.16 ? 237 THR A OG1 1 ATOM 1638 C CG2 . THR A 1 216 ? -7.878 -5.001 36.718 1.00 23.64 ? 237 THR A CG2 1 ATOM 1639 N N . ILE A 1 217 ? -5.858 -7.444 37.614 1.00 24.64 ? 238 ILE A N 1 ATOM 1640 C CA . ILE A 1 217 ? -4.674 -7.337 38.473 1.00 24.82 ? 238 ILE A CA 1 ATOM 1641 C C . ILE A 1 217 ? -3.898 -6.091 38.056 1.00 25.21 ? 238 ILE A C 1 ATOM 1642 O O . ILE A 1 217 ? -3.033 -6.167 37.187 1.00 25.11 ? 238 ILE A O 1 ATOM 1643 C CB . ILE A 1 217 ? -3.745 -8.568 38.358 1.00 24.80 ? 238 ILE A CB 1 ATOM 1644 C CG1 . ILE A 1 217 ? -4.526 -9.879 38.544 1.00 25.04 ? 238 ILE A CG1 1 ATOM 1645 C CG2 . ILE A 1 217 ? -2.607 -8.464 39.367 1.00 24.49 ? 238 ILE A CG2 1 ATOM 1646 C CD1 . ILE A 1 217 ? -5.021 -10.131 39.954 1.00 25.18 ? 238 ILE A CD1 1 ATOM 1647 N N . PRO A 1 218 ? -4.208 -4.934 38.665 1.00 25.98 ? 239 PRO A N 1 ATOM 1648 C CA . PRO A 1 218 ? -3.603 -3.677 38.215 1.00 26.64 ? 239 PRO A CA 1 ATOM 1649 C C . PRO A 1 218 ? -2.091 -3.569 38.433 1.00 27.30 ? 239 PRO A C 1 ATOM 1650 O O . PRO A 1 218 ? -1.413 -2.898 37.650 1.00 27.96 ? 239 PRO A O 1 ATOM 1651 C CB . PRO A 1 218 ? -4.348 -2.612 39.021 1.00 26.62 ? 239 PRO A CB 1 ATOM 1652 C CG . PRO A 1 218 ? -4.881 -3.323 40.208 1.00 26.39 ? 239 PRO A CG 1 ATOM 1653 C CD . PRO A 1 218 ? -5.150 -4.729 39.778 1.00 26.14 ? 239 PRO A CD 1 ATOM 1654 N N . ASP A 1 219 ? -1.565 -4.204 39.475 1.00 27.96 ? 240 ASP A N 1 ATOM 1655 C CA . ASP A 1 219 ? -0.119 -4.222 39.692 1.00 28.59 ? 240 ASP A CA 1 ATOM 1656 C C . ASP A 1 219 ? 0.351 -5.648 39.979 1.00 28.74 ? 240 ASP A C 1 ATOM 1657 O O . ASP A 1 219 ? 0.422 -6.055 41.139 1.00 28.44 ? 240 ASP A O 1 ATOM 1658 C CB . ASP A 1 219 ? 0.281 -3.258 40.819 1.00 28.78 ? 240 ASP A CB 1 ATOM 1659 C CG . ASP A 1 219 ? 1.790 -3.016 40.890 1.00 28.99 ? 240 ASP A CG 1 ATOM 1660 O OD1 . ASP A 1 219 ? 2.539 -3.555 40.054 1.00 28.96 ? 240 ASP A OD1 1 ATOM 1661 O OD2 . ASP A 1 219 ? 2.233 -2.277 41.792 1.00 29.77 ? 240 ASP A OD2 1 ATOM 1662 N N . PRO A 1 220 ? 0.670 -6.411 38.912 1.00 29.53 ? 241 PRO A N 1 ATOM 1663 C CA . PRO A 1 220 ? 1.196 -7.779 39.011 1.00 30.38 ? 241 PRO A CA 1 ATOM 1664 C C . PRO A 1 220 ? 2.511 -7.936 39.800 1.00 32.16 ? 241 PRO A C 1 ATOM 1665 O O . PRO A 1 220 ? 2.906 -9.070 40.098 1.00 33.10 ? 241 PRO A O 1 ATOM 1666 C CB . PRO A 1 220 ? 1.407 -8.175 37.546 1.00 30.00 ? 241 PRO A CB 1 ATOM 1667 C CG . PRO A 1 220 ? 0.426 -7.355 36.790 1.00 29.49 ? 241 PRO A CG 1 ATOM 1668 C CD . PRO A 1 220 ? 0.398 -6.041 37.509 1.00 29.48 ? 241 PRO A CD 1 ATOM 1669 N N . SER A 1 221 ? 3.181 -6.822 40.111 1.00 33.45 ? 242 SER A N 1 ATOM 1670 C CA . SER A 1 221 ? 4.344 -6.815 41.006 1.00 34.18 ? 242 SER A CA 1 ATOM 1671 C C . SER A 1 221 ? 3.952 -6.317 42.399 1.00 35.40 ? 242 SER A C 1 ATOM 1672 O O . SER A 1 221 ? 4.086 -7.031 43.395 1.00 36.63 ? 242 SER A O 1 ATOM 1673 C CB . SER A 1 221 ? 5.449 -5.926 40.432 1.00 34.21 ? 242 SER A CB 1 ATOM 1674 O OG . SER A 1 221 ? 4.989 -4.607 40.182 1.00 34.24 ? 242 SER A OG 1 HETATM 1675 CA CA . CA B 2 . ? -1.658 -4.201 0.529 1.00 18.99 ? 301 CA A CA 1 HETATM 1676 C C1 . NAG C 3 . ? -13.701 -6.402 -1.127 1.00 13.78 ? 302 NAG A C1 1 HETATM 1677 C C2 . NAG C 3 . ? -14.959 -6.674 -0.308 1.00 13.74 ? 302 NAG A C2 1 HETATM 1678 C C3 . NAG C 3 . ? -16.053 -7.361 -1.118 1.00 13.82 ? 302 NAG A C3 1 HETATM 1679 C C4 . NAG C 3 . ? -16.293 -6.593 -2.409 1.00 13.89 ? 302 NAG A C4 1 HETATM 1680 C C5 . NAG C 3 . ? -14.977 -6.429 -3.170 1.00 13.96 ? 302 NAG A C5 1 HETATM 1681 C C6 . NAG C 3 . ? -15.162 -5.654 -4.478 1.00 13.98 ? 302 NAG A C6 1 HETATM 1682 C C7 . NAG C 3 . ? -14.774 -7.095 2.097 1.00 13.59 ? 302 NAG A C7 1 HETATM 1683 C C8 . NAG C 3 . ? -14.462 -8.101 3.161 1.00 13.56 ? 302 NAG A C8 1 HETATM 1684 N N2 . NAG C 3 . ? -14.670 -7.512 0.841 1.00 13.71 ? 302 NAG A N2 1 HETATM 1685 O O3 . NAG C 3 . ? -17.239 -7.416 -0.347 1.00 13.68 ? 302 NAG A O3 1 HETATM 1686 O O4 . NAG C 3 . ? -17.218 -7.305 -3.198 1.00 13.86 ? 302 NAG A O4 1 HETATM 1687 O O5 . NAG C 3 . ? -14.019 -5.773 -2.362 1.00 13.90 ? 302 NAG A O5 1 HETATM 1688 O O6 . NAG C 3 . ? -15.927 -4.484 -4.266 1.00 14.06 ? 302 NAG A O6 1 HETATM 1689 O O7 . NAG C 3 . ? -15.112 -5.956 2.408 1.00 13.91 ? 302 NAG A O7 1 HETATM 1690 C C1 . NAG D 3 . ? -10.080 -14.763 42.672 1.00 42.60 ? 303 NAG A C1 1 HETATM 1691 C C2 . NAG D 3 . ? -9.126 -15.760 43.318 1.00 43.65 ? 303 NAG A C2 1 HETATM 1692 C C3 . NAG D 3 . ? -9.262 -17.102 42.602 1.00 43.16 ? 303 NAG A C3 1 HETATM 1693 C C4 . NAG D 3 . ? -10.714 -17.578 42.696 1.00 42.57 ? 303 NAG A C4 1 HETATM 1694 C C5 . NAG D 3 . ? -11.699 -16.477 42.291 1.00 42.91 ? 303 NAG A C5 1 HETATM 1695 C C6 . NAG D 3 . ? -13.130 -16.859 42.655 1.00 43.15 ? 303 NAG A C6 1 HETATM 1696 C C7 . NAG D 3 . ? -7.143 -14.855 44.447 1.00 46.99 ? 303 NAG A C7 1 HETATM 1697 C C8 . NAG D 3 . ? -5.717 -14.391 44.305 1.00 47.38 ? 303 NAG A C8 1 HETATM 1698 N N2 . NAG D 3 . ? -7.752 -15.284 43.330 1.00 44.81 ? 303 NAG A N2 1 HETATM 1699 O O3 . NAG D 3 . ? -8.382 -18.053 43.168 1.00 42.87 ? 303 NAG A O3 1 HETATM 1700 O O4 . NAG D 3 . ? -10.915 -18.717 41.885 1.00 41.80 ? 303 NAG A O4 1 HETATM 1701 O O5 . NAG D 3 . ? -11.392 -15.245 42.916 1.00 42.97 ? 303 NAG A O5 1 HETATM 1702 O O6 . NAG D 3 . ? -14.007 -15.832 42.249 1.00 43.59 ? 303 NAG A O6 1 HETATM 1703 O O7 . NAG D 3 . ? -7.685 -14.820 45.561 1.00 46.23 ? 303 NAG A O7 1 HETATM 1704 O O . HOH E 4 . ? 7.670 -15.411 6.561 1.00 12.67 ? 401 HOH A O 1 HETATM 1705 O O . HOH E 4 . ? -0.180 7.313 9.927 1.00 8.29 ? 402 HOH A O 1 HETATM 1706 O O . HOH E 4 . ? -9.011 -15.554 4.019 1.00 14.80 ? 403 HOH A O 1 HETATM 1707 O O . HOH E 4 . ? 0.554 -4.702 -0.766 1.00 9.79 ? 404 HOH A O 1 HETATM 1708 O O . HOH E 4 . ? -13.159 -14.402 31.319 1.00 15.65 ? 405 HOH A O 1 HETATM 1709 O O . HOH E 4 . ? -10.660 -3.339 22.538 1.00 16.05 ? 406 HOH A O 1 HETATM 1710 O O . HOH E 4 . ? -13.493 -5.297 27.235 1.00 13.24 ? 407 HOH A O 1 HETATM 1711 O O . HOH E 4 . ? 11.190 -8.251 18.764 1.00 13.72 ? 408 HOH A O 1 HETATM 1712 O O . HOH E 4 . ? 4.530 -4.052 33.694 1.00 12.60 ? 409 HOH A O 1 HETATM 1713 O O . HOH E 4 . ? -11.606 -5.754 21.400 1.00 7.87 ? 410 HOH A O 1 HETATM 1714 O O . HOH E 4 . ? 13.973 -8.690 30.978 1.00 7.13 ? 411 HOH A O 1 HETATM 1715 O O . HOH E 4 . ? -15.723 -11.404 2.714 1.00 14.76 ? 412 HOH A O 1 HETATM 1716 O O . HOH E 4 . ? -16.658 -17.512 4.873 1.00 16.46 ? 413 HOH A O 1 HETATM 1717 O O . HOH E 4 . ? -9.622 -4.346 33.088 1.00 15.46 ? 414 HOH A O 1 HETATM 1718 O O . HOH E 4 . ? -12.231 -13.129 28.641 1.00 13.69 ? 415 HOH A O 1 HETATM 1719 O O . HOH E 4 . ? -1.738 -21.567 22.967 1.00 18.52 ? 416 HOH A O 1 HETATM 1720 O O . HOH E 4 . ? 0.580 -1.378 27.520 1.00 12.48 ? 417 HOH A O 1 HETATM 1721 O O . HOH E 4 . ? 2.791 -6.007 34.494 1.00 12.76 ? 418 HOH A O 1 HETATM 1722 O O . HOH E 4 . ? 6.547 -0.020 36.924 1.00 26.28 ? 419 HOH A O 1 HETATM 1723 O O . HOH E 4 . ? 8.855 -19.526 26.582 1.00 7.54 ? 420 HOH A O 1 HETATM 1724 O O . HOH E 4 . ? -7.256 -11.838 42.869 1.00 15.44 ? 421 HOH A O 1 HETATM 1725 O O . HOH E 4 . ? -5.266 -20.889 7.056 1.00 6.85 ? 422 HOH A O 1 HETATM 1726 O O . HOH E 4 . ? 12.885 -8.751 10.271 1.00 9.78 ? 423 HOH A O 1 HETATM 1727 O O . HOH E 4 . ? -2.973 -0.000 -0.363 1.00 5.86 ? 424 HOH A O 1 HETATM 1728 O O . HOH E 4 . ? -4.132 -0.426 36.247 1.00 25.81 ? 425 HOH A O 1 HETATM 1729 O O . HOH E 4 . ? -12.838 -6.597 23.410 1.00 19.81 ? 426 HOH A O 1 HETATM 1730 O O . HOH E 4 . ? 5.034 2.159 39.786 1.00 29.81 ? 427 HOH A O 1 HETATM 1731 O O . HOH E 4 . ? 1.983 0.790 8.524 1.00 25.32 ? 428 HOH A O 1 HETATM 1732 O O . HOH E 4 . ? -8.268 6.361 -0.605 1.00 12.58 ? 429 HOH A O 1 HETATM 1733 O O . HOH E 4 . ? -13.111 -6.521 -7.432 1.00 32.06 ? 430 HOH A O 1 HETATM 1734 O O . HOH E 4 . ? -13.820 0.959 3.982 1.00 7.34 ? 431 HOH A O 1 HETATM 1735 O O . HOH E 4 . ? -14.234 -12.718 41.939 1.00 31.47 ? 432 HOH A O 1 HETATM 1736 O O . HOH E 4 . ? -16.425 -3.678 1.101 1.00 11.19 ? 433 HOH A O 1 HETATM 1737 O O . HOH E 4 . ? 3.210 -2.842 0.929 1.00 12.15 ? 434 HOH A O 1 HETATM 1738 O O . HOH E 4 . ? -2.510 8.554 10.284 1.00 7.19 ? 435 HOH A O 1 HETATM 1739 O O . HOH E 4 . ? 11.060 -10.246 16.877 1.00 9.40 ? 436 HOH A O 1 HETATM 1740 O O . HOH E 4 . ? -15.118 -19.850 5.895 1.00 13.42 ? 437 HOH A O 1 HETATM 1741 O O . HOH E 4 . ? 5.123 -2.868 30.617 1.00 12.72 ? 438 HOH A O 1 HETATM 1742 O O . HOH E 4 . ? 3.131 -19.646 28.650 1.00 7.95 ? 439 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLU 1 22 ? ? ? A . n A 1 2 ALA 2 23 23 ALA ALA A . n A 1 3 GLU 3 24 24 GLU GLU A . n A 1 4 ALA 4 25 25 ALA ALA A . n A 1 5 THR 5 26 26 THR THR A . n A 1 6 GLN 6 27 27 GLN GLN A . n A 1 7 ALA 7 28 28 ALA ALA A . n A 1 8 CYS 8 29 29 CYS CYS A . n A 1 9 LEU 9 30 30 LEU LEU A . n A 1 10 PRO 10 31 31 PRO PRO A . n A 1 11 VAL 11 32 32 VAL VAL A . n A 1 12 GLY 12 33 33 GLY GLY A . n A 1 13 SER 13 34 34 SER SER A . n A 1 14 ARG 14 35 35 ARG ARG A . n A 1 15 LYS 15 36 36 LYS LYS A . n A 1 16 ASN 16 37 37 ASN ASN A . n A 1 17 GLY 17 38 38 GLY GLY A . n A 1 18 MET 18 39 39 MET MET A . n A 1 19 ASN 19 40 40 ASN ASN A . n A 1 20 VAL 20 41 41 VAL VAL A . n A 1 21 ASN 21 42 42 ASN ASN A . n A 1 22 PHE 22 43 43 PHE PHE A . n A 1 23 TYR 23 44 44 TYR TYR A . n A 1 24 LYS 24 45 45 LYS LYS A . n A 1 25 TYR 25 46 46 TYR TYR A . n A 1 26 SER 26 47 47 SER SER A . n A 1 27 LEU 27 48 48 LEU LEU A . n A 1 28 GLN 28 49 49 GLN GLN A . n A 1 29 ASP 29 50 50 ASP ASP A . n A 1 30 SER 30 51 51 SER SER A . n A 1 31 THR 31 52 52 THR THR A . n A 1 32 THR 32 53 53 THR THR A . n A 1 33 TYR 33 54 54 TYR TYR A . n A 1 34 SER 34 55 55 SER SER A . n A 1 35 ASP 35 56 56 ASP ASP A . n A 1 36 PRO 36 57 57 PRO PRO A . n A 1 37 GLN 37 58 58 GLN GLN A . n A 1 38 TYR 38 59 59 TYR TYR A . n A 1 39 MET 39 60 60 MET MET A . n A 1 40 ALA 40 61 61 ALA ALA A . n A 1 41 TYR 41 62 62 TYR TYR A . n A 1 42 LYS 42 63 63 LYS LYS A . n A 1 43 TYR 43 64 64 TYR TYR A . n A 1 44 SER 44 65 65 SER SER A . n A 1 45 ASP 45 66 66 ASP ASP A . n A 1 46 THR 46 67 67 THR THR A . n A 1 47 LYS 47 68 68 LYS LYS A . n A 1 48 LYS 48 69 69 LYS LYS A . n A 1 49 LEU 49 70 70 LEU LEU A . n A 1 50 GLY 50 71 71 GLY GLY A . n A 1 51 SER 51 72 72 SER SER A . n A 1 52 VAL 52 73 73 VAL VAL A . n A 1 53 SER 53 74 74 SER SER A . n A 1 54 GLY 54 75 75 GLY GLY A . n A 1 55 GLN 55 76 76 GLN GLN A . n A 1 56 THR 56 77 77 THR THR A . n A 1 57 HIS 57 78 78 HIS HIS A . n A 1 58 LEU 58 79 79 LEU LEU A . n A 1 59 SER 59 80 80 SER SER A . n A 1 60 ILE 60 81 81 ILE ILE A . n A 1 61 TYR 61 82 82 TYR TYR A . n A 1 62 TYR 62 83 83 TYR TYR A . n A 1 63 GLY 63 84 84 GLY GLY A . n A 1 64 PRO 64 85 85 PRO PRO A . n A 1 65 ASN 65 86 86 ASN ASN A . n A 1 66 THR 66 87 87 THR THR A . n A 1 67 ALA 67 88 88 ALA ALA A . n A 1 68 PHE 68 89 89 PHE PHE A . n A 1 69 TRP 69 90 90 TRP TRP A . n A 1 70 ASN 70 91 91 ASN ASN A . n A 1 71 THR 71 92 92 THR THR A . n A 1 72 ALA 72 93 93 ALA ALA A . n A 1 73 SER 73 94 94 SER SER A . n A 1 74 TRP 74 95 95 TRP TRP A . n A 1 75 SER 75 96 96 SER SER A . n A 1 76 SER 76 97 97 SER SER A . n A 1 77 ASP 77 98 98 ASP ASP A . n A 1 78 LEU 78 99 99 LEU LEU A . n A 1 79 PHE 79 100 100 PHE PHE A . n A 1 80 GLY 80 101 101 GLY GLY A . n A 1 81 PHE 81 102 102 PHE PHE A . n A 1 82 TYR 82 103 103 TYR TYR A . n A 1 83 THR 83 104 104 THR THR A . n A 1 84 THR 84 105 105 THR THR A . n A 1 85 PRO 85 106 106 PRO PRO A . n A 1 86 THR 86 107 107 THR THR A . n A 1 87 ASN 87 108 108 ASN ASN A . n A 1 88 VAL 88 109 109 VAL VAL A . n A 1 89 THR 89 110 110 THR THR A . n A 1 90 VAL 90 111 111 VAL VAL A . n A 1 91 GLU 91 112 112 GLU GLU A . n A 1 92 MET 92 113 113 MET MET A . n A 1 93 THR 93 114 114 THR THR A . n A 1 94 GLY 94 115 115 GLY GLY A . n A 1 95 TYR 95 116 116 TYR TYR A . n A 1 96 PHE 96 117 117 PHE PHE A . n A 1 97 LEU 97 118 118 LEU LEU A . n A 1 98 PRO 98 119 119 PRO PRO A . n A 1 99 PRO 99 120 120 PRO PRO A . n A 1 100 GLN 100 121 121 GLN GLN A . n A 1 101 THR 101 122 122 THR THR A . n A 1 102 GLY 102 123 123 GLY GLY A . n A 1 103 SER 103 124 124 SER SER A . n A 1 104 TYR 104 125 125 TYR TYR A . n A 1 105 THR 105 126 126 THR THR A . n A 1 106 PHE 106 127 127 PHE PHE A . n A 1 107 LYS 107 128 128 LYS LYS A . n A 1 108 PHE 108 129 129 PHE PHE A . n A 1 109 ALA 109 130 130 ALA ALA A . n A 1 110 THR 110 131 131 THR THR A . n A 1 111 VAL 111 132 132 VAL VAL A . n A 1 112 ASP 112 133 133 ASP ASP A . n A 1 113 ASP 113 134 134 ASP ASP A . n A 1 114 SER 114 135 135 SER SER A . n A 1 115 ALA 115 136 136 ALA ALA A . n A 1 116 ILE 116 137 137 ILE ILE A . n A 1 117 LEU 117 138 138 LEU LEU A . n A 1 118 SER 118 139 139 SER SER A . n A 1 119 VAL 119 140 140 VAL VAL A . n A 1 120 GLY 120 141 141 GLY GLY A . n A 1 121 GLY 121 142 142 GLY GLY A . n A 1 122 SER 122 143 143 SER SER A . n A 1 123 ILE 123 144 144 ILE ILE A . n A 1 124 ALA 124 145 145 ALA ALA A . n A 1 125 PHE 125 146 146 PHE PHE A . n A 1 126 GLU 126 147 147 GLU GLU A . n A 1 127 CYS 127 148 148 CYS CYS A . n A 1 128 CYS 128 149 149 CYS CYS A . n A 1 129 ALA 129 150 150 ALA ALA A . n A 1 130 GLN 130 151 151 GLN GLN A . n A 1 131 GLU 131 152 152 GLU GLU A . n A 1 132 GLN 132 153 153 GLN GLN A . n A 1 133 PRO 133 154 154 PRO PRO A . n A 1 134 PRO 134 155 155 PRO PRO A . n A 1 135 ILE 135 156 156 ILE ILE A . n A 1 136 THR 136 157 157 THR THR A . n A 1 137 SER 137 158 158 SER SER A . n A 1 138 THR 138 159 159 THR THR A . n A 1 139 ASP 139 160 160 ASP ASP A . n A 1 140 PHE 140 161 161 PHE PHE A . n A 1 141 THR 141 162 162 THR THR A . n A 1 142 ILE 142 163 163 ILE ILE A . n A 1 143 ASN 143 164 164 ASN ASN A . n A 1 144 GLY 144 165 165 GLY GLY A . n A 1 145 ILE 145 166 166 ILE ILE A . n A 1 146 LYS 146 167 167 LYS LYS A . n A 1 147 PRO 147 168 168 PRO PRO A . n A 1 148 TRP 148 169 169 TRP TRP A . n A 1 149 ASP 149 170 170 ASP ASP A . n A 1 150 ALA 150 171 171 ALA ALA A . n A 1 151 ALA 151 172 172 ALA ALA A . n A 1 152 ALA 152 173 173 ALA ALA A . n A 1 153 PRO 153 174 174 PRO PRO A . n A 1 154 THR 154 175 175 THR THR A . n A 1 155 ASP 155 176 176 ASP ASP A . n A 1 156 ILE 156 177 177 ILE ILE A . n A 1 157 LYS 157 178 178 LYS LYS A . n A 1 158 GLY 158 179 179 GLY GLY A . n A 1 159 SER 159 180 180 SER SER A . n A 1 160 THR 160 181 181 THR THR A . n A 1 161 TYR 161 182 182 TYR TYR A . n A 1 162 MET 162 183 183 MET MET A . n A 1 163 TYR 163 184 184 TYR TYR A . n A 1 164 ALA 164 185 185 ALA ALA A . n A 1 165 GLY 165 186 186 GLY GLY A . n A 1 166 TYR 166 187 187 TYR TYR A . n A 1 167 TYR 167 188 188 TYR TYR A . n A 1 168 TYR 168 189 189 TYR TYR A . n A 1 169 PRO 169 190 190 PRO PRO A . n A 1 170 ILE 170 191 191 ILE ILE A . n A 1 171 LYS 171 192 192 LYS LYS A . n A 1 172 ILE 172 193 193 ILE ILE A . n A 1 173 VAL 173 194 194 VAL VAL A . n A 1 174 TYR 174 195 195 TYR TYR A . n A 1 175 SER 175 196 196 SER SER A . n A 1 176 ASN 176 197 197 ASN ASN A . n A 1 177 ALA 177 198 198 ALA ALA A . n A 1 178 LYS 178 199 199 LYS LYS A . n A 1 179 ALA 179 200 200 ALA ALA A . n A 1 180 LEU 180 201 201 LEU LEU A . n A 1 181 ALA 181 202 202 ALA ALA A . n A 1 182 ARG 182 203 203 ARG ARG A . n A 1 183 LEU 183 204 204 LEU LEU A . n A 1 184 PRO 184 205 205 PRO PRO A . n A 1 185 VAL 185 206 206 VAL VAL A . n A 1 186 SER 186 207 207 SER SER A . n A 1 187 VAL 187 208 208 VAL VAL A . n A 1 188 VAL 188 209 209 VAL VAL A . n A 1 189 LEU 189 210 210 LEU LEU A . n A 1 190 PRO 190 211 211 PRO PRO A . n A 1 191 ASP 191 212 212 ASP ASP A . n A 1 192 GLY 192 213 213 GLY GLY A . n A 1 193 THR 193 214 214 THR THR A . n A 1 194 GLU 194 215 215 GLU GLU A . n A 1 195 VAL 195 216 216 VAL VAL A . n A 1 196 ASN 196 217 217 ASN ASN A . n A 1 197 ASP 197 218 218 ASP ASP A . n A 1 198 ASP 198 219 219 ASP ASP A . n A 1 199 PHE 199 220 220 PHE PHE A . n A 1 200 GLU 200 221 221 GLU GLU A . n A 1 201 GLY 201 222 222 GLY GLY A . n A 1 202 TYR 202 223 223 TYR TYR A . n A 1 203 VAL 203 224 224 VAL VAL A . n A 1 204 TYR 204 225 225 TYR TYR A . n A 1 205 SER 205 226 226 SER SER A . n A 1 206 PHE 206 227 227 PHE PHE A . n A 1 207 ASP 207 228 228 ASP ASP A . n A 1 208 ASP 208 229 229 ASP ASP A . n A 1 209 ASP 209 230 230 ASP ASP A . n A 1 210 LEU 210 231 231 LEU LEU A . n A 1 211 SER 211 232 232 SER SER A . n A 1 212 GLN 212 233 233 GLN GLN A . n A 1 213 SER 213 234 234 SER SER A . n A 1 214 ASN 214 235 235 ASN ASN A . n A 1 215 CYS 215 236 236 CYS CYS A . n A 1 216 THR 216 237 237 THR THR A . n A 1 217 ILE 217 238 238 ILE ILE A . n A 1 218 PRO 218 239 239 PRO PRO A . n A 1 219 ASP 219 240 240 ASP ASP A . n A 1 220 PRO 220 241 241 PRO PRO A . n A 1 221 SER 221 242 242 SER SER A . n A 1 222 LYS 222 243 ? ? ? A . n A 1 223 HIS 223 244 ? ? ? A . n A 1 224 THR 224 245 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 CA 1 301 1 CA CA A . C 3 NAG 1 302 2001 NAG NAG A . D 3 NAG 1 303 2001 NAG NAG A . E 4 HOH 1 401 1 HOH HOH A . E 4 HOH 2 402 2 HOH HOH A . E 4 HOH 3 403 3 HOH HOH A . E 4 HOH 4 404 4 HOH HOH A . E 4 HOH 5 405 5 HOH HOH A . E 4 HOH 6 406 6 HOH HOH A . E 4 HOH 7 407 7 HOH HOH A . E 4 HOH 8 408 8 HOH HOH A . E 4 HOH 9 409 9 HOH HOH A . E 4 HOH 10 410 10 HOH HOH A . E 4 HOH 11 411 11 HOH HOH A . E 4 HOH 12 412 12 HOH HOH A . E 4 HOH 13 413 13 HOH HOH A . E 4 HOH 14 414 14 HOH HOH A . E 4 HOH 15 415 15 HOH HOH A . E 4 HOH 16 416 16 HOH HOH A . E 4 HOH 17 417 17 HOH HOH A . E 4 HOH 18 418 18 HOH HOH A . E 4 HOH 19 419 19 HOH HOH A . E 4 HOH 20 420 20 HOH HOH A . E 4 HOH 21 421 21 HOH HOH A . E 4 HOH 22 422 22 HOH HOH A . E 4 HOH 23 423 23 HOH HOH A . E 4 HOH 24 424 24 HOH HOH A . E 4 HOH 25 425 25 HOH HOH A . E 4 HOH 26 426 26 HOH HOH A . E 4 HOH 27 427 27 HOH HOH A . E 4 HOH 28 428 28 HOH HOH A . E 4 HOH 29 429 29 HOH HOH A . E 4 HOH 30 430 30 HOH HOH A . E 4 HOH 31 431 31 HOH HOH A . E 4 HOH 32 432 32 HOH HOH A . E 4 HOH 33 433 33 HOH HOH A . E 4 HOH 34 434 34 HOH HOH A . E 4 HOH 35 435 35 HOH HOH A . E 4 HOH 36 436 36 HOH HOH A . E 4 HOH 37 437 37 HOH HOH A . E 4 HOH 38 438 38 HOH HOH A . E 4 HOH 39 439 39 HOH HOH A . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 214 A ASN 235 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 87 A ASN 108 ? 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 # _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 O ? A LYS 178 ? A LYS 199 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASP 113 ? A ASP 134 ? 1_555 126.3 ? 2 O ? A LYS 178 ? A LYS 199 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? A LEU 180 ? A LEU 201 ? 1_555 85.5 ? 3 OD1 ? A ASP 113 ? A ASP 134 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? A LEU 180 ? A LEU 201 ? 1_555 131.8 ? 4 O ? A LYS 178 ? A LYS 199 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASN 176 ? A ASN 197 ? 1_555 78.3 ? 5 OD1 ? A ASP 113 ? A ASP 134 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASN 176 ? A ASN 197 ? 1_555 76.5 ? 6 O ? A LEU 180 ? A LEU 201 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASN 176 ? A ASN 197 ? 1_555 76.4 ? 7 O ? A LYS 178 ? A LYS 199 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASP 112 ? A ASP 133 ? 1_555 167.8 ? 8 OD1 ? A ASP 113 ? A ASP 134 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASP 112 ? A ASP 133 ? 1_555 65.6 ? 9 O ? A LEU 180 ? A LEU 201 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASP 112 ? A ASP 133 ? 1_555 86.9 ? 10 OD1 ? A ASN 176 ? A ASN 197 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASP 112 ? A ASP 133 ? 1_555 109.1 ? 11 O ? A LYS 178 ? A LYS 199 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 404 ? 1_555 102.1 ? 12 OD1 ? A ASP 113 ? A ASP 134 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 404 ? 1_555 118.0 ? 13 O ? A LEU 180 ? A LEU 201 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 404 ? 1_555 81.8 ? 14 OD1 ? A ASN 176 ? A ASN 197 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 404 ? 1_555 158.2 ? 15 OD1 ? A ASP 112 ? A ASP 133 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 404 ? 1_555 67.4 ? # 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 2013-01-16 2 'Structure model' 1 1 2013-04-10 3 'Structure model' 1 2 2017-11-15 # _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' 'Database references' 2 3 'Structure model' 'Data collection' 3 3 'Structure model' 'Refinement description' # 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 3 'Structure model' diffrn_source 2 3 'Structure model' software # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 3 'Structure model' '_diffrn_source.pdbx_synchrotron_site' 2 3 'Structure model' '_software.name' # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 REFMAC 5.7.0029 ? program 'Garib N. Murshudov' garib@ysbl.york.ac.uk refinement http://www.ccp4.ac.uk/dist/html/refmac5.html Fortran_77 ? 2 PDB_EXTRACT 3.11 'April 22, 2011' package PDB deposit@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 3 MOSFLM . ? ? ? ? 'data reduction' ? ? ? 4 SCALA . ? ? ? ? 'data scaling' ? ? ? 5 PHASER . ? ? ? ? phasing ? ? ? # _pdbx_entry_details.entry_id 4GQ7 _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details 'T173A IS A NATURAL VARIANT.' _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # 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 TYR A 62 ? ? -155.49 -30.75 2 1 ASN A 91 ? ? -140.20 15.93 3 1 THR A 104 ? ? -153.63 -158.94 4 1 ILE A 144 ? ? -120.66 -54.62 5 1 ALA A 150 ? ? -145.59 44.48 6 1 ASP A 160 ? ? -90.53 56.70 7 1 TRP A 169 ? ? 41.67 -113.78 8 1 ALA A 200 ? ? 55.11 -124.03 9 1 ASP A 218 ? ? 59.09 -68.58 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A LYS 45 ? CD ? A LYS 24 CD 2 1 Y 1 A LYS 45 ? CE ? A LYS 24 CE 3 1 Y 1 A LYS 45 ? NZ ? A LYS 24 NZ 4 1 Y 1 A LYS 63 ? CE ? A LYS 42 CE 5 1 Y 1 A LYS 63 ? NZ ? A LYS 42 NZ 6 1 Y 1 A LYS 68 ? CE ? A LYS 47 CE 7 1 Y 1 A LYS 68 ? NZ ? A LYS 47 NZ 8 1 Y 1 A THR 87 ? OG1 ? A THR 66 OG1 9 1 Y 1 A THR 87 ? CG2 ? A THR 66 CG2 10 1 Y 1 A PHE 89 ? CG ? A PHE 68 CG 11 1 Y 1 A PHE 89 ? CD1 ? A PHE 68 CD1 12 1 Y 1 A PHE 89 ? CD2 ? A PHE 68 CD2 13 1 Y 1 A PHE 89 ? CE1 ? A PHE 68 CE1 14 1 Y 1 A PHE 89 ? CE2 ? A PHE 68 CE2 15 1 Y 1 A PHE 89 ? CZ ? A PHE 68 CZ 16 1 Y 1 A TRP 90 ? CG ? A TRP 69 CG 17 1 Y 1 A TRP 90 ? CD1 ? A TRP 69 CD1 18 1 Y 1 A TRP 90 ? CD2 ? A TRP 69 CD2 19 1 Y 1 A TRP 90 ? NE1 ? A TRP 69 NE1 20 1 Y 1 A TRP 90 ? CE2 ? A TRP 69 CE2 21 1 Y 1 A TRP 90 ? CE3 ? A TRP 69 CE3 22 1 Y 1 A TRP 90 ? CZ2 ? A TRP 69 CZ2 23 1 Y 1 A TRP 90 ? CZ3 ? A TRP 69 CZ3 24 1 Y 1 A TRP 90 ? CH2 ? A TRP 69 CH2 25 1 Y 1 A ASP 170 ? CG ? A ASP 149 CG 26 1 Y 1 A ASP 170 ? OD1 ? A ASP 149 OD1 27 1 Y 1 A ASP 170 ? OD2 ? A ASP 149 OD2 28 1 Y 1 A GLU 215 ? CD ? A GLU 194 CD 29 1 Y 1 A GLU 215 ? OE1 ? A GLU 194 OE1 30 1 Y 1 A GLU 215 ? OE2 ? A GLU 194 OE2 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLU 22 ? A GLU 1 2 1 Y 1 A LYS 243 ? A LYS 222 3 1 Y 1 A HIS 244 ? A HIS 223 4 1 Y 1 A THR 245 ? A THR 224 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'CALCIUM ION' CA 3 N-ACETYL-D-GLUCOSAMINE NAG 4 water HOH #