data_5CM4 # _entry.id 5CM4 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.286 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5CM4 WWPDB D_1000211848 # _pdbx_database_related.db_name PDB _pdbx_database_related.details 'Complex structure of Norrin with human Frizzled 4 CRD' _pdbx_database_related.db_id 5CL1 _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5CM4 _pdbx_database_status.recvd_initial_deposition_date 2015-07-16 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _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 'Ke, J.' 1 'Parker, N.' 2 'Gu, X.' 3 'Zhang, C.' 4 'Melcher, K.' 5 'Xu, H.E.' 6 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country CN _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'Cell Res.' _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 1001-0602 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 25 _citation.language ? _citation.page_first 1078 _citation.page_last 1081 _citation.title 'Structural basis of the Norrin-Frizzled 4 interaction.' _citation.year 2015 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1038/cr.2015.92 _citation.pdbx_database_id_PubMed 26227961 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Shen, G.' 1 primary 'Ke, J.' 2 primary 'Wang, Z.' 3 primary 'Cheng, Z.' 4 primary 'Gu, X.' 5 primary 'Wei, Y.' 6 primary 'Melcher, K.' 7 primary 'Xu, H.E.' 8 primary 'Xu, W.' 9 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 90.00 _cell.angle_gamma_esd ? _cell.entry_id 5CM4 _cell.details ? _cell.formula_units_Z ? _cell.length_a 105.583 _cell.length_a_esd ? _cell.length_b 111.738 _cell.length_b_esd ? _cell.length_c 75.370 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 16 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5CM4 _symmetry.cell_setting ? _symmetry.Int_Tables_number 20 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'C 2 2 21' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man Frizzled-4 14147.333 2 ? ? 'UNP residues 40-164' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 3 water nat water 18.015 51 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name hFz4,FzE4 # _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 ;EEERRCDPIRISMCQNLGYNVTKMPNLVGHELQTDAELQLTTFTPLIQYGCSSQLQFFLCSVYVPMCTEKINIPIGPCGG MCLSVKRRCEPVLKEFGFAWPESLNCSKFPPQNDHNHMCMEGPGD ; _entity_poly.pdbx_seq_one_letter_code_can ;EEERRCDPIRISMCQNLGYNVTKMPNLVGHELQTDAELQLTTFTPLIQYGCSSQLQFFLCSVYVPMCTEKINIPIGPCGG MCLSVKRRCEPVLKEFGFAWPESLNCSKFPPQNDHNHMCMEGPGD ; _entity_poly.pdbx_strand_id A,B _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 GLU n 1 3 GLU n 1 4 ARG n 1 5 ARG n 1 6 CYS n 1 7 ASP n 1 8 PRO n 1 9 ILE n 1 10 ARG n 1 11 ILE n 1 12 SER n 1 13 MET n 1 14 CYS n 1 15 GLN n 1 16 ASN n 1 17 LEU n 1 18 GLY n 1 19 TYR n 1 20 ASN n 1 21 VAL n 1 22 THR n 1 23 LYS n 1 24 MET n 1 25 PRO n 1 26 ASN n 1 27 LEU n 1 28 VAL n 1 29 GLY n 1 30 HIS n 1 31 GLU n 1 32 LEU n 1 33 GLN n 1 34 THR n 1 35 ASP n 1 36 ALA n 1 37 GLU n 1 38 LEU n 1 39 GLN n 1 40 LEU n 1 41 THR n 1 42 THR n 1 43 PHE n 1 44 THR n 1 45 PRO n 1 46 LEU n 1 47 ILE n 1 48 GLN n 1 49 TYR n 1 50 GLY n 1 51 CYS n 1 52 SER n 1 53 SER n 1 54 GLN n 1 55 LEU n 1 56 GLN n 1 57 PHE n 1 58 PHE n 1 59 LEU n 1 60 CYS n 1 61 SER n 1 62 VAL n 1 63 TYR n 1 64 VAL n 1 65 PRO n 1 66 MET n 1 67 CYS n 1 68 THR n 1 69 GLU n 1 70 LYS n 1 71 ILE n 1 72 ASN n 1 73 ILE n 1 74 PRO n 1 75 ILE n 1 76 GLY n 1 77 PRO n 1 78 CYS n 1 79 GLY n 1 80 GLY n 1 81 MET n 1 82 CYS n 1 83 LEU n 1 84 SER n 1 85 VAL n 1 86 LYS n 1 87 ARG n 1 88 ARG n 1 89 CYS n 1 90 GLU n 1 91 PRO n 1 92 VAL n 1 93 LEU n 1 94 LYS n 1 95 GLU n 1 96 PHE n 1 97 GLY n 1 98 PHE n 1 99 ALA n 1 100 TRP n 1 101 PRO n 1 102 GLU n 1 103 SER n 1 104 LEU n 1 105 ASN n 1 106 CYS n 1 107 SER n 1 108 LYS n 1 109 PHE n 1 110 PRO n 1 111 PRO n 1 112 GLN n 1 113 ASN n 1 114 ASP n 1 115 HIS n 1 116 ASN n 1 117 HIS n 1 118 MET n 1 119 CYS n 1 120 MET n 1 121 GLU n 1 122 GLY n 1 123 PRO n 1 124 GLY n 1 125 ASP n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 125 _entity_src_gen.gene_src_common_name Human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene FZD4 _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9606 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line HEK293 _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 pcDNA6-Fz4CRD-FcH6 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code FZD4_HUMAN _struct_ref.pdbx_db_accession Q9ULV1 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;EEERRCDPIRISMCQNLGYNVTKMPNLVGHELQTDAELQLTTFTPLIQYGCSSQLQFFLCSVYVPMCTEKINIPIGPCGG MCLSVKRRCEPVLKEFGFAWPESLNCSKFPPQNDHNHMCMEGPGD ; _struct_ref.pdbx_align_begin 40 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 5CM4 A 1 ? 125 ? Q9ULV1 40 ? 164 ? 40 164 2 1 5CM4 B 1 ? 125 ? Q9ULV1 40 ? 164 ? 40 164 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 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.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5CM4 _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.93 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 65 _exptl_crystal.description Rod-shaped _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 5.6 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '1.8 M ammonium sulfate, 0.1 M tri-Na citrate pH 5.6 and 0.2 M Na/K tartrate' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'MARMOSAIC 300 mm CCD' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2010-11-17 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator 'Monochromator Ni FILTER' _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.078 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'APS BEAMLINE 21-ID-D' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.078 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline 21-ID-D _diffrn_source.pdbx_synchrotron_site APS # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5CM4 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.4 _reflns.d_resolution_low 50 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all 17684 _reflns.number_obs 17684 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I 0 _reflns.percent_possible_obs 99.6 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 6.2 _reflns.pdbx_Rmerge_I_obs 0.072 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 17.6 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.4 _reflns_shell.d_res_low 2.49 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 2.0 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_possible ? _reflns_shell.number_unique_all ? _reflns_shell.number_unique_obs ? _reflns_shell.percent_possible_all 99.2 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 0.99 _reflns_shell.meanI_over_sigI_gt ? _reflns_shell.meanI_over_uI_all ? _reflns_shell.meanI_over_uI_gt ? _reflns_shell.number_measured_gt ? _reflns_shell.number_unique_gt ? _reflns_shell.percent_possible_gt ? _reflns_shell.Rmerge_F_gt ? _reflns_shell.Rmerge_I_gt ? _reflns_shell.pdbx_redundancy 6.4 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_netI_over_sigmaI_all ? _reflns_shell.pdbx_netI_over_sigmaI_obs ? _reflns_shell.pdbx_Rrim_I_all ? _reflns_shell.pdbx_Rpim_I_all ? _reflns_shell.pdbx_rejects ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_CC_half ? _reflns_shell.pdbx_R_split ? # _refine.aniso_B[1][1] 0.21 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][2] -1.00 _refine.aniso_B[2][3] -0.00 _refine.aniso_B[3][3] 0.78 _refine.B_iso_max ? _refine.B_iso_mean 65.243 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc 0.942 _refine.correlation_coeff_Fo_to_Fc_free 0.933 _refine.details 'HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT' _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5CM4 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 2.40 _refine.ls_d_res_low 50.00 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 16764 _refine.ls_number_reflns_R_free 907 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.31 _refine.ls_percent_reflns_R_free 5.1 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.22740 _refine.ls_R_factor_R_free 0.25521 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.22605 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details MASK _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 1IJY _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R 0.264 _refine.pdbx_overall_ESU_R_Free 0.216 _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B 7.326 _refine.overall_SU_ML 0.165 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id 1 _refine_hist.pdbx_number_atoms_protein 1877 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 70 _refine_hist.number_atoms_solvent 51 _refine_hist.number_atoms_total 1998 _refine_hist.d_res_high 2.40 _refine_hist.d_res_low 50.00 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.010 0.019 2010 ? r_bond_refined_d ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_bond_other_d ? ? 'X-RAY DIFFRACTION' ? 1.819 2.013 2735 ? r_angle_refined_deg ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_angle_other_deg ? ? 'X-RAY DIFFRACTION' ? 5.524 5.000 240 ? r_dihedral_angle_1_deg ? ? 'X-RAY DIFFRACTION' ? 32.805 24.878 82 ? r_dihedral_angle_2_deg ? ? 'X-RAY DIFFRACTION' ? 20.117 15.000 327 ? r_dihedral_angle_3_deg ? ? 'X-RAY DIFFRACTION' ? 18.373 15.000 8 ? r_dihedral_angle_4_deg ? ? 'X-RAY DIFFRACTION' ? 0.093 0.200 303 ? r_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.009 0.022 1513 ? r_gen_planes_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_gen_planes_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_nbtor_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_xyhbond_nbd_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_vdw_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_hbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_symmetry_metal_ion_other ? ? 'X-RAY DIFFRACTION' ? 3.817 6.083 966 ? r_mcbond_it ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_mcbond_other ? ? 'X-RAY DIFFRACTION' ? 6.044 9.104 1204 ? r_mcangle_it ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_mcangle_other ? ? 'X-RAY DIFFRACTION' ? 5.361 6.868 1044 ? r_scbond_it ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scbond_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_it ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_scangle_other ? ? 'X-RAY DIFFRACTION' ? 13.266 58.253 8083 ? r_long_range_B_refined ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_long_range_B_other ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_rigid_bond_restr ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_free ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? r_sphericity_bonded ? ? # loop_ _refine_ls_restr_ncs.pdbx_refine_id _refine_ls_restr_ncs.dom_id _refine_ls_restr_ncs.pdbx_ens_id _refine_ls_restr_ncs.pdbx_ordinal _refine_ls_restr_ncs.ncs_model_details _refine_ls_restr_ncs.rms_dev_position _refine_ls_restr_ncs.weight_position _refine_ls_restr_ncs.rms_dev_B_iso _refine_ls_restr_ncs.weight_B_iso _refine_ls_restr_ncs.pdbx_auth_asym_id _refine_ls_restr_ncs.pdbx_number _refine_ls_restr_ncs.pdbx_type 'X-RAY DIFFRACTION' 1 1 1 ? 0.36 0.50 ? ? A 935 'medium positional' 'X-RAY DIFFRACTION' 1 1 2 ? 11.91 2.00 ? ? A 935 'medium thermal' # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 2.400 _refine_ls_shell.d_res_low 2.462 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 78 _refine_ls_shell.number_reflns_R_work 1186 _refine_ls_shell.percent_reflns_obs 98.98 _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.505 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.377 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # loop_ _struct_ncs_oper.id _struct_ncs_oper.code _struct_ncs_oper.details _struct_ncs_oper.matrix[1][1] _struct_ncs_oper.matrix[1][2] _struct_ncs_oper.matrix[1][3] _struct_ncs_oper.matrix[2][1] _struct_ncs_oper.matrix[2][2] _struct_ncs_oper.matrix[2][3] _struct_ncs_oper.matrix[3][1] _struct_ncs_oper.matrix[3][2] _struct_ncs_oper.matrix[3][3] _struct_ncs_oper.vector[1] _struct_ncs_oper.vector[2] _struct_ncs_oper.vector[3] 1 given ? 1.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 1.000000 0.00000 0.00000 0.00000 2 given ? -0.760262 -0.253659 -0.598046 0.193493 0.790405 -0.581223 0.620131 -0.557599 -0.551834 -0.79836 7.43207 -2.01529 # loop_ _struct_ncs_dom.id _struct_ncs_dom.details _struct_ncs_dom.pdbx_ens_id 1 A 1 2 B 1 # loop_ _struct_ncs_dom_lim.dom_id _struct_ncs_dom_lim.beg_auth_asym_id _struct_ncs_dom_lim.beg_auth_seq_id _struct_ncs_dom_lim.end_auth_asym_id _struct_ncs_dom_lim.end_auth_seq_id _struct_ncs_dom_lim.pdbx_component_id _struct_ncs_dom_lim.pdbx_refine_code _struct_ncs_dom_lim.beg_label_asym_id _struct_ncs_dom_lim.beg_label_comp_id _struct_ncs_dom_lim.beg_label_seq_id _struct_ncs_dom_lim.beg_label_alt_id _struct_ncs_dom_lim.end_label_asym_id _struct_ncs_dom_lim.end_label_comp_id _struct_ncs_dom_lim.end_label_seq_id _struct_ncs_dom_lim.end_label_alt_id _struct_ncs_dom_lim.pdbx_ens_id _struct_ncs_dom_lim.selection_details 1 A 44 A 164 1 4 ? ? ? ? ? ? ? ? 1 ? 2 B 44 B 164 1 4 ? ? ? ? ? ? ? ? 1 ? # _struct_ncs_ens.id 1 _struct_ncs_ens.details ? # _struct.entry_id 5CM4 _struct.title 'Crystal structure of human Frizzled 4 Cysteine-Rich Domain (CRD)' _struct.pdbx_descriptor Frizzled-4 _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5CM4 _struct_keywords.text 'Wnt signaling, Norrin signaling, Frizzled 4 extracelluar domain, Cysteine-Rich Domain, SIGNALING PROTEIN' _struct_keywords.pdbx_keywords 'SIGNALING 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 1 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 2 ? H N N 3 ? I N N 3 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 ILE A 11 ? GLN A 15 ? ILE A 50 GLN A 54 5 ? 5 HELX_P HELX_P2 AA2 LEU A 32 ? THR A 41 ? LEU A 71 THR A 80 1 ? 10 HELX_P HELX_P3 AA3 PHE A 43 ? GLY A 50 ? PHE A 82 GLY A 89 1 ? 8 HELX_P HELX_P4 AA4 GLN A 54 ? VAL A 64 ? GLN A 93 VAL A 103 1 ? 11 HELX_P HELX_P5 AA5 CYS A 78 ? PHE A 96 ? CYS A 117 PHE A 135 1 ? 19 HELX_P HELX_P6 AA6 PRO A 101 ? PHE A 109 ? PRO A 140 PHE A 148 5 ? 9 HELX_P HELX_P7 AA7 ILE B 11 ? GLN B 15 ? ILE B 50 GLN B 54 5 ? 5 HELX_P HELX_P8 AA8 LEU B 32 ? THR B 42 ? LEU B 71 THR B 81 1 ? 11 HELX_P HELX_P9 AA9 PHE B 43 ? GLY B 50 ? PHE B 82 GLY B 89 1 ? 8 HELX_P HELX_P10 AB1 GLN B 54 ? VAL B 64 ? GLN B 93 VAL B 103 1 ? 11 HELX_P HELX_P11 AB2 CYS B 78 ? PHE B 96 ? CYS B 117 PHE B 135 1 ? 19 HELX_P HELX_P12 AB3 PRO B 101 ? PHE B 109 ? PRO B 140 PHE B 148 5 ? 9 # _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 6 SG ? ? ? 1_555 A CYS 67 SG ? ? A CYS 45 A CYS 106 1_555 ? ? ? ? ? ? ? 2.066 ? disulf2 disulf ? ? A CYS 14 SG ? ? ? 1_555 A CYS 60 SG ? ? A CYS 53 A CYS 99 1_555 ? ? ? ? ? ? ? 2.069 ? disulf3 disulf ? ? A CYS 51 SG ? ? ? 1_555 A CYS 89 SG ? ? A CYS 90 A CYS 128 1_555 ? ? ? ? ? ? ? 2.146 ? disulf4 disulf ? ? A CYS 78 SG ? ? ? 1_555 A CYS 119 SG ? ? A CYS 117 A CYS 158 1_555 ? ? ? ? ? ? ? 2.058 ? disulf5 disulf ? ? A CYS 82 SG ? ? ? 1_555 A CYS 106 SG ? ? A CYS 121 A CYS 145 1_555 ? ? ? ? ? ? ? 2.098 ? disulf6 disulf ? ? B CYS 6 SG ? ? ? 1_555 B CYS 67 SG ? ? B CYS 45 B CYS 106 1_555 ? ? ? ? ? ? ? 2.067 ? disulf7 disulf ? ? B CYS 14 SG ? ? ? 1_555 B CYS 60 SG ? ? B CYS 53 B CYS 99 1_555 ? ? ? ? ? ? ? 2.052 ? disulf8 disulf ? ? B CYS 51 SG ? ? ? 1_555 B CYS 89 SG ? ? B CYS 90 B CYS 128 1_555 ? ? ? ? ? ? ? 2.134 ? disulf9 disulf ? ? B CYS 78 SG ? ? ? 1_555 B CYS 119 SG ? ? B CYS 117 B CYS 158 1_555 ? ? ? ? ? ? ? 2.053 ? disulf10 disulf ? ? B CYS 82 SG ? ? ? 1_555 B CYS 106 SG ? ? B CYS 121 B CYS 145 1_555 ? ? ? ? ? ? ? 2.072 ? covale1 covale one ? A ASN 20 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 59 A NAG 301 1_555 ? ? ? ? ? ? ? 1.435 ? covale2 covale one ? A ASN 105 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 144 A NAG 302 1_555 ? ? ? ? ? ? ? 1.427 ? covale3 covale one ? B ASN 20 ND2 ? ? ? 1_555 F NAG . C1 ? ? B ASN 59 B NAG 301 1_555 ? ? ? ? ? ? ? 1.446 ? covale4 covale one ? B ASN 105 ND2 ? ? ? 1_555 G NAG . C1 ? ? B ASN 144 B NAG 302 1_555 ? ? ? ? ? ? ? 1.452 ? covale5 covale both ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? A NAG 302 A NAG 303 1_555 ? ? ? ? ? ? ? 1.438 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 MET 24 A . ? MET 63 A PRO 25 A ? PRO 64 A 1 5.71 2 MET 24 B . ? MET 63 B PRO 25 B ? PRO 64 B 1 5.06 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 2 ? AA2 ? 2 ? AA3 ? 2 ? AA4 ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA2 1 2 ? anti-parallel AA3 1 2 ? anti-parallel AA4 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 ASP A 7 ? PRO A 8 ? ASP A 46 PRO A 47 AA1 2 VAL A 21 ? THR A 22 ? VAL A 60 THR A 61 AA2 1 MET A 66 ? THR A 68 ? MET A 105 THR A 107 AA2 2 ILE A 71 ? ILE A 75 ? ILE A 110 ILE A 114 AA3 1 ASP B 7 ? PRO B 8 ? ASP B 46 PRO B 47 AA3 2 VAL B 21 ? THR B 22 ? VAL B 60 THR B 61 AA4 1 MET B 66 ? THR B 68 ? MET B 105 THR B 107 AA4 2 ILE B 71 ? ILE B 75 ? ILE B 110 ILE B 114 # 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 AA1 1 2 N ASP A 7 ? N ASP A 46 O THR A 22 ? O THR A 61 AA2 1 2 N MET A 66 ? N MET A 105 O ILE A 75 ? O ILE A 114 AA3 1 2 N ASP B 7 ? N ASP B 46 O THR B 22 ? O THR B 61 AA4 1 2 N MET B 66 ? N MET B 105 O ILE B 75 ? O ILE B 114 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A NAG 301 ? 1 'binding site for Mono-Saccharide NAG A 301 bound to ASN A 59' AC2 Software A ASN 144 ? 4 'binding site for Poly-Saccharide residues NAG A 302 through NAG A 303 bound to ASN A 144' AC3 Software B NAG 301 ? 1 'binding site for Mono-Saccharide NAG B 301 bound to ASN B 59' AC4 Software B NAG 302 ? 3 'binding site for Mono-Saccharide NAG B 302 bound to ASN B 144' # 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 1 ASN A 20 ? ASN A 59 . ? 1_555 ? 2 AC2 4 GLU A 102 ? GLU A 141 . ? 1_555 ? 3 AC2 4 ASN A 105 ? ASN A 144 . ? 1_555 ? 4 AC2 4 SER A 107 ? SER A 146 . ? 1_555 ? 5 AC2 4 ARG B 87 ? ARG B 126 . ? 2_554 ? 6 AC3 1 ASN B 20 ? ASN B 59 . ? 1_555 ? 7 AC4 3 GLU B 102 ? GLU B 141 . ? 1_555 ? 8 AC4 3 ASN B 105 ? ASN B 144 . ? 1_555 ? 9 AC4 3 HOH I . ? HOH B 401 . ? 1_555 ? # _atom_sites.entry_id 5CM4 _atom_sites.fract_transf_matrix[1][1] 0.009471 _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] 0.008950 _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] 0.013268 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # 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 . ARG A 1 5 ? 21.298 -22.469 10.876 1.00 78.30 ? 44 ARG A N 1 ATOM 2 C CA . ARG A 1 5 ? 21.847 -21.511 9.870 1.00 86.09 ? 44 ARG A CA 1 ATOM 3 C C . ARG A 1 5 ? 20.749 -20.848 9.050 1.00 84.99 ? 44 ARG A C 1 ATOM 4 O O . ARG A 1 5 ? 20.948 -19.770 8.513 1.00 86.09 ? 44 ARG A O 1 ATOM 5 C CB . ARG A 1 5 ? 22.841 -22.178 8.914 1.00 88.87 ? 44 ARG A CB 1 ATOM 6 C CG . ARG A 1 5 ? 24.214 -22.444 9.495 1.00 98.14 ? 44 ARG A CG 1 ATOM 7 C CD . ARG A 1 5 ? 24.477 -23.935 9.490 1.00 103.18 ? 44 ARG A CD 1 ATOM 8 N NE . ARG A 1 5 ? 25.398 -24.351 10.538 1.00 108.07 ? 44 ARG A NE 1 ATOM 9 C CZ . ARG A 1 5 ? 25.110 -24.352 11.835 1.00 106.13 ? 44 ARG A CZ 1 ATOM 10 N NH1 . ARG A 1 5 ? 23.928 -23.930 12.265 1.00 101.28 ? 44 ARG A NH1 1 ATOM 11 N NH2 . ARG A 1 5 ? 26.014 -24.769 12.708 1.00 100.17 ? 44 ARG A NH2 1 ATOM 12 N N . CYS A 1 6 ? 19.598 -21.497 8.945 1.00 75.89 ? 45 CYS A N 1 ATOM 13 C CA . CYS A 1 6 ? 18.538 -20.964 8.128 1.00 71.65 ? 45 CYS A CA 1 ATOM 14 C C . CYS A 1 6 ? 17.276 -20.658 8.951 1.00 70.18 ? 45 CYS A C 1 ATOM 15 O O . CYS A 1 6 ? 16.837 -21.474 9.755 1.00 66.63 ? 45 CYS A O 1 ATOM 16 C CB . CYS A 1 6 ? 18.239 -21.930 6.974 1.00 71.57 ? 45 CYS A CB 1 ATOM 17 S SG . CYS A 1 6 ? 19.380 -22.096 5.556 1.00 86.43 ? 45 CYS A SG 1 ATOM 18 N N . ASP A 1 7 ? 16.692 -19.480 8.739 1.00 65.64 ? 46 ASP A N 1 ATOM 19 C CA . ASP A 1 7 ? 15.479 -19.074 9.461 1.00 63.64 ? 46 ASP A CA 1 ATOM 20 C C . ASP A 1 7 ? 14.148 -19.261 8.732 1.00 57.85 ? 46 ASP A C 1 ATOM 21 O O . ASP A 1 7 ? 14.020 -18.946 7.551 1.00 63.43 ? 46 ASP A O 1 ATOM 22 C CB . ASP A 1 7 ? 15.618 -17.622 9.886 1.00 67.98 ? 46 ASP A CB 1 ATOM 23 C CG . ASP A 1 7 ? 16.931 -17.358 10.573 1.00 79.97 ? 46 ASP A CG 1 ATOM 24 O OD1 . ASP A 1 7 ? 17.107 -17.846 11.711 1.00 89.42 ? 46 ASP A OD1 1 ATOM 25 O OD2 . ASP A 1 7 ? 17.794 -16.671 9.983 1.00 84.19 ? 46 ASP A OD2 1 ATOM 26 N N . PRO A 1 8 ? 13.131 -19.743 9.452 1.00 50.90 ? 47 PRO A N 1 ATOM 27 C CA . PRO A 1 8 ? 11.823 -19.917 8.823 1.00 52.23 ? 47 PRO A CA 1 ATOM 28 C C . PRO A 1 8 ? 11.197 -18.587 8.357 1.00 55.21 ? 47 PRO A C 1 ATOM 29 O O . PRO A 1 8 ? 11.487 -17.513 8.905 1.00 53.68 ? 47 PRO A O 1 ATOM 30 C CB . PRO A 1 8 ? 10.972 -20.557 9.932 1.00 50.03 ? 47 PRO A CB 1 ATOM 31 C CG . PRO A 1 8 ? 11.663 -20.195 11.202 1.00 50.39 ? 47 PRO A CG 1 ATOM 32 C CD . PRO A 1 8 ? 13.120 -20.085 10.888 1.00 49.25 ? 47 PRO A CD 1 ATOM 33 N N . ILE A 1 9 ? 10.337 -18.673 7.351 1.00 52.40 ? 48 ILE A N 1 ATOM 34 C CA . ILE A 1 9 ? 9.741 -17.490 6.732 1.00 53.30 ? 48 ILE A CA 1 ATOM 35 C C . ILE A 1 9 ? 8.535 -17.041 7.551 1.00 51.55 ? 48 ILE A C 1 ATOM 36 O O . ILE A 1 9 ? 7.564 -17.781 7.694 1.00 49.29 ? 48 ILE A O 1 ATOM 37 C CB . ILE A 1 9 ? 9.342 -17.774 5.261 1.00 49.05 ? 48 ILE A CB 1 ATOM 38 C CG1 . ILE A 1 9 ? 10.591 -18.045 4.411 1.00 46.62 ? 48 ILE A CG1 1 ATOM 39 C CG2 . ILE A 1 9 ? 8.519 -16.626 4.681 1.00 48.95 ? 48 ILE A CG2 1 ATOM 40 C CD1 . ILE A 1 9 ? 10.277 -18.753 3.101 1.00 44.33 ? 48 ILE A CD1 1 ATOM 41 N N . ARG A 1 10 ? 8.612 -15.833 8.091 1.00 52.45 ? 49 ARG A N 1 ATOM 42 C CA . ARG A 1 10 ? 7.550 -15.311 8.963 1.00 60.33 ? 49 ARG A CA 1 ATOM 43 C C . ARG A 1 10 ? 6.493 -14.509 8.178 1.00 58.99 ? 49 ARG A C 1 ATOM 44 O O . ARG A 1 10 ? 5.426 -14.206 8.696 1.00 63.33 ? 49 ARG A O 1 ATOM 45 C CB . ARG A 1 10 ? 8.156 -14.485 10.115 1.00 61.74 ? 49 ARG A CB 1 ATOM 46 C CG . ARG A 1 10 ? 9.200 -15.259 10.931 1.00 64.74 ? 49 ARG A CG 1 ATOM 47 C CD . ARG A 1 10 ? 9.856 -14.428 12.026 1.00 68.04 ? 49 ARG A CD 1 ATOM 48 N NE . ARG A 1 10 ? 10.810 -13.456 11.485 1.00 75.58 ? 49 ARG A NE 1 ATOM 49 C CZ . ARG A 1 10 ? 11.510 -12.582 12.206 1.00 82.28 ? 49 ARG A CZ 1 ATOM 50 N NH1 . ARG A 1 10 ? 11.381 -12.542 13.533 1.00 91.70 ? 49 ARG A NH1 1 ATOM 51 N NH2 . ARG A 1 10 ? 12.345 -11.741 11.599 1.00 74.72 ? 49 ARG A NH2 1 ATOM 52 N N . ILE A 1 11 ? 6.790 -14.190 6.921 1.00 54.68 ? 50 ILE A N 1 ATOM 53 C CA . ILE A 1 11 ? 5.911 -13.371 6.080 1.00 50.08 ? 50 ILE A CA 1 ATOM 54 C C . ILE A 1 11 ? 4.755 -14.191 5.506 1.00 52.19 ? 50 ILE A C 1 ATOM 55 O O . ILE A 1 11 ? 4.978 -15.190 4.811 1.00 53.95 ? 50 ILE A O 1 ATOM 56 C CB . ILE A 1 11 ? 6.698 -12.705 4.930 1.00 45.54 ? 50 ILE A CB 1 ATOM 57 C CG1 . ILE A 1 11 ? 7.824 -11.825 5.466 1.00 43.59 ? 50 ILE A CG1 1 ATOM 58 C CG2 . ILE A 1 11 ? 5.779 -11.862 4.084 1.00 47.10 ? 50 ILE A CG2 1 ATOM 59 C CD1 . ILE A 1 11 ? 8.653 -11.175 4.384 1.00 40.98 ? 50 ILE A CD1 1 ATOM 60 N N . SER A 1 12 ? 3.525 -13.757 5.775 1.00 50.73 ? 51 SER A N 1 ATOM 61 C CA . SER A 1 12 ? 2.331 -14.564 5.451 1.00 53.38 ? 51 SER A CA 1 ATOM 62 C C . SER A 1 12 ? 2.054 -14.710 3.966 1.00 51.22 ? 51 SER A C 1 ATOM 63 O O . SER A 1 12 ? 1.545 -15.731 3.531 1.00 55.06 ? 51 SER A O 1 ATOM 64 C CB . SER A 1 12 ? 1.071 -14.053 6.170 1.00 53.11 ? 51 SER A CB 1 ATOM 65 O OG . SER A 1 12 ? 1.245 -12.715 6.581 1.00 59.64 ? 51 SER A OG 1 ATOM 66 N N . MET A 1 13 ? 2.384 -13.698 3.179 1.00 52.68 ? 52 MET A N 1 ATOM 67 C CA . MET A 1 13 ? 2.155 -13.785 1.740 1.00 55.67 ? 52 MET A CA 1 ATOM 68 C C . MET A 1 13 ? 3.211 -14.652 1.051 1.00 52.94 ? 52 MET A C 1 ATOM 69 O O . MET A 1 13 ? 3.092 -14.975 -0.126 1.00 52.73 ? 52 MET A O 1 ATOM 70 C CB . MET A 1 13 ? 2.123 -12.399 1.118 1.00 59.10 ? 52 MET A CB 1 ATOM 71 C CG . MET A 1 13 ? 3.471 -11.922 0.625 1.00 71.06 ? 52 MET A CG 1 ATOM 72 S SD . MET A 1 13 ? 3.331 -10.620 -0.604 1.00 85.20 ? 52 MET A SD 1 ATOM 73 C CE . MET A 1 13 ? 2.526 -9.334 0.369 1.00 89.40 ? 52 MET A CE 1 ATOM 74 N N . CYS A 1 14 ? 4.246 -15.022 1.795 1.00 52.93 ? 53 CYS A N 1 ATOM 75 C CA . CYS A 1 14 ? 5.322 -15.836 1.255 1.00 51.58 ? 53 CYS A CA 1 ATOM 76 C C . CYS A 1 14 ? 5.313 -17.285 1.741 1.00 55.28 ? 53 CYS A C 1 ATOM 77 O O . CYS A 1 14 ? 6.334 -17.942 1.705 1.00 59.26 ? 53 CYS A O 1 ATOM 78 C CB . CYS A 1 14 ? 6.658 -15.180 1.584 1.00 46.95 ? 53 CYS A CB 1 ATOM 79 S SG . CYS A 1 14 ? 6.940 -13.699 0.598 1.00 52.56 ? 53 CYS A SG 1 ATOM 80 N N . GLN A 1 15 ? 4.179 -17.809 2.182 1.00 63.71 ? 54 GLN A N 1 ATOM 81 C CA . GLN A 1 15 ? 4.220 -19.093 2.898 1.00 74.48 ? 54 GLN A CA 1 ATOM 82 C C . GLN A 1 15 ? 3.892 -20.387 2.172 1.00 77.02 ? 54 GLN A C 1 ATOM 83 O O . GLN A 1 15 ? 3.998 -21.475 2.776 1.00 85.75 ? 54 GLN A O 1 ATOM 84 C CB . GLN A 1 15 ? 3.453 -19.018 4.211 1.00 78.33 ? 54 GLN A CB 1 ATOM 85 C CG . GLN A 1 15 ? 4.403 -19.018 5.397 1.00 81.31 ? 54 GLN A CG 1 ATOM 86 C CD . GLN A 1 15 ? 3.944 -18.135 6.531 1.00 94.82 ? 54 GLN A CD 1 ATOM 87 O OE1 . GLN A 1 15 ? 2.748 -17.910 6.728 1.00 108.32 ? 54 GLN A OE1 1 ATOM 88 N NE2 . GLN A 1 15 ? 4.896 -17.631 7.296 1.00 93.10 ? 54 GLN A NE2 1 ATOM 89 N N . ASN A 1 16 ? 3.545 -20.286 0.895 1.00 78.72 ? 55 ASN A N 1 ATOM 90 C CA . ASN A 1 16 ? 3.146 -21.457 0.071 1.00 82.23 ? 55 ASN A CA 1 ATOM 91 C C . ASN A 1 16 ? 4.180 -21.789 -1.104 1.00 76.51 ? 55 ASN A C 1 ATOM 92 O O . ASN A 1 16 ? 3.888 -22.628 -1.963 1.00 73.67 ? 55 ASN A O 1 ATOM 93 C CB . ASN A 1 16 ? 1.843 -21.017 -0.529 1.00 97.09 ? 55 ASN A CB 1 ATOM 94 C CG . ASN A 1 16 ? 2.155 -19.873 -1.325 1.00 107.45 ? 55 ASN A CG 1 ATOM 95 O OD1 . ASN A 1 16 ? 3.306 -19.923 -1.688 1.00 118.44 ? 55 ASN A OD1 1 ATOM 96 N ND2 . ASN A 1 16 ? 1.433 -18.785 -1.303 1.00 113.64 ? 55 ASN A ND2 1 ATOM 97 N N . LEU A 1 17 ? 5.378 -21.180 -1.129 1.00 72.27 ? 56 LEU A N 1 ATOM 98 C CA . LEU A 1 17 ? 6.299 -21.245 -2.281 1.00 66.36 ? 56 LEU A CA 1 ATOM 99 C C . LEU A 1 17 ? 6.926 -22.581 -2.743 1.00 70.90 ? 56 LEU A C 1 ATOM 100 O O . LEU A 1 17 ? 7.265 -22.714 -3.929 1.00 72.78 ? 56 LEU A O 1 ATOM 101 C CB . LEU A 1 17 ? 7.457 -20.290 -2.041 1.00 59.90 ? 56 LEU A CB 1 ATOM 102 C CG . LEU A 1 17 ? 7.054 -18.988 -1.395 1.00 58.56 ? 56 LEU A CG 1 ATOM 103 C CD1 . LEU A 1 17 ? 8.272 -18.296 -0.817 1.00 54.30 ? 56 LEU A CD1 1 ATOM 104 C CD2 . LEU A 1 17 ? 6.370 -18.105 -2.422 1.00 58.47 ? 56 LEU A CD2 1 ATOM 105 N N . GLY A 1 18 ? 7.148 -23.532 -1.838 1.00 64.22 ? 57 GLY A N 1 ATOM 106 C CA . GLY A 1 18 ? 7.962 -24.694 -2.179 1.00 63.36 ? 57 GLY A CA 1 ATOM 107 C C . GLY A 1 18 ? 9.246 -24.693 -1.380 1.00 63.80 ? 57 GLY A C 1 ATOM 108 O O . GLY A 1 18 ? 9.927 -25.708 -1.289 1.00 70.13 ? 57 GLY A O 1 ATOM 109 N N . TYR A 1 19 ? 9.587 -23.547 -0.805 1.00 57.25 ? 58 TYR A N 1 ATOM 110 C CA . TYR A 1 19 ? 10.576 -23.507 0.274 1.00 53.86 ? 58 TYR A CA 1 ATOM 111 C C . TYR A 1 19 ? 10.029 -22.683 1.412 1.00 52.46 ? 58 TYR A C 1 ATOM 112 O O . TYR A 1 19 ? 9.198 -21.817 1.181 1.00 53.75 ? 58 TYR A O 1 ATOM 113 C CB . TYR A 1 19 ? 11.896 -22.916 -0.199 1.00 50.68 ? 58 TYR A CB 1 ATOM 114 C CG . TYR A 1 19 ? 11.861 -21.447 -0.609 1.00 52.56 ? 58 TYR A CG 1 ATOM 115 C CD1 . TYR A 1 19 ? 11.358 -21.061 -1.858 1.00 51.18 ? 58 TYR A CD1 1 ATOM 116 C CD2 . TYR A 1 19 ? 12.357 -20.447 0.238 1.00 49.51 ? 58 TYR A CD2 1 ATOM 117 C CE1 . TYR A 1 19 ? 11.340 -19.727 -2.242 1.00 51.51 ? 58 TYR A CE1 1 ATOM 118 C CE2 . TYR A 1 19 ? 12.355 -19.113 -0.148 1.00 50.88 ? 58 TYR A CE2 1 ATOM 119 C CZ . TYR A 1 19 ? 11.837 -18.759 -1.383 1.00 51.86 ? 58 TYR A CZ 1 ATOM 120 O OH . TYR A 1 19 ? 11.801 -17.432 -1.740 1.00 49.69 ? 58 TYR A OH 1 ATOM 121 N N . ASN A 1 20 ? 10.541 -22.874 2.615 1.00 54.14 ? 59 ASN A N 1 ATOM 122 C CA . ASN A 1 20 ? 9.944 -22.183 3.760 1.00 55.41 ? 59 ASN A CA 1 ATOM 123 C C . ASN A 1 20 ? 10.974 -21.692 4.718 1.00 50.26 ? 59 ASN A C 1 ATOM 124 O O . ASN A 1 20 ? 10.671 -21.358 5.860 1.00 52.00 ? 59 ASN A O 1 ATOM 125 C CB . ASN A 1 20 ? 8.912 -23.050 4.476 1.00 63.25 ? 59 ASN A CB 1 ATOM 126 C CG . ASN A 1 20 ? 9.411 -24.447 4.701 1.00 74.34 ? 59 ASN A CG 1 ATOM 127 O OD1 . ASN A 1 20 ? 10.621 -24.654 4.739 1.00 75.64 ? 59 ASN A OD1 1 ATOM 128 N ND2 . ASN A 1 20 ? 8.483 -25.417 4.862 1.00 85.58 ? 59 ASN A ND2 1 ATOM 129 N N . VAL A 1 21 ? 12.195 -21.624 4.227 1.00 45.29 ? 60 VAL A N 1 ATOM 130 C CA . VAL A 1 21 ? 13.247 -21.102 5.036 1.00 44.21 ? 60 VAL A CA 1 ATOM 131 C C . VAL A 1 21 ? 14.074 -20.080 4.259 1.00 40.79 ? 60 VAL A C 1 ATOM 132 O O . VAL A 1 21 ? 14.220 -20.170 3.050 1.00 42.37 ? 60 VAL A O 1 ATOM 133 C CB . VAL A 1 21 ? 14.119 -22.244 5.629 1.00 51.05 ? 60 VAL A CB 1 ATOM 134 C CG1 . VAL A 1 21 ? 15.102 -21.668 6.601 1.00 58.55 ? 60 VAL A CG1 1 ATOM 135 C CG2 . VAL A 1 21 ? 13.265 -23.213 6.444 1.00 51.11 ? 60 VAL A CG2 1 ATOM 136 N N . THR A 1 22 ? 14.645 -19.110 4.962 1.00 38.35 ? 61 THR A N 1 ATOM 137 C CA . THR A 1 22 ? 15.309 -18.001 4.310 1.00 40.49 ? 61 THR A CA 1 ATOM 138 C C . THR A 1 22 ? 16.461 -17.547 5.181 1.00 43.87 ? 61 THR A C 1 ATOM 139 O O . THR A 1 22 ? 16.604 -18.012 6.293 1.00 49.05 ? 61 THR A O 1 ATOM 140 C CB . THR A 1 22 ? 14.322 -16.803 4.077 1.00 40.80 ? 61 THR A CB 1 ATOM 141 O OG1 . THR A 1 22 ? 14.984 -15.765 3.347 1.00 42.74 ? 61 THR A OG1 1 ATOM 142 C CG2 . THR A 1 22 ? 13.840 -16.220 5.391 1.00 38.46 ? 61 THR A CG2 1 ATOM 143 N N . LYS A 1 23 ? 17.273 -16.630 4.673 1.00 46.03 ? 62 LYS A N 1 ATOM 144 C CA . LYS A 1 23 ? 18.302 -15.984 5.464 1.00 47.98 ? 62 LYS A CA 1 ATOM 145 C C . LYS A 1 23 ? 18.383 -14.511 5.054 1.00 49.18 ? 62 LYS A C 1 ATOM 146 O O . LYS A 1 23 ? 18.522 -14.198 3.872 1.00 54.62 ? 62 LYS A O 1 ATOM 147 C CB . LYS A 1 23 ? 19.663 -16.662 5.240 1.00 50.27 ? 62 LYS A CB 1 ATOM 148 C CG . LYS A 1 23 ? 20.739 -16.262 6.240 1.00 55.76 ? 62 LYS A CG 1 ATOM 149 C CD . LYS A 1 23 ? 20.489 -16.981 7.563 1.00 69.65 ? 62 LYS A CD 1 ATOM 150 C CE . LYS A 1 23 ? 21.283 -16.416 8.729 1.00 79.68 ? 62 LYS A CE 1 ATOM 151 N NZ . LYS A 1 23 ? 20.693 -16.862 10.027 1.00 83.98 ? 62 LYS A NZ 1 ATOM 152 N N . MET A 1 24 ? 18.295 -13.605 6.023 1.00 47.80 ? 63 MET A N 1 ATOM 153 C CA . MET A 1 24 ? 18.442 -12.186 5.721 1.00 50.15 ? 63 MET A CA 1 ATOM 154 C C . MET A 1 24 ? 19.940 -11.872 5.770 1.00 48.33 ? 63 MET A C 1 ATOM 155 O O . MET A 1 24 ? 20.673 -12.565 6.446 1.00 49.25 ? 63 MET A O 1 ATOM 156 C CB . MET A 1 24 ? 17.600 -11.331 6.680 1.00 46.14 ? 63 MET A CB 1 ATOM 157 C CG . MET A 1 24 ? 16.142 -11.798 6.751 1.00 52.20 ? 63 MET A CG 1 ATOM 158 S SD . MET A 1 24 ? 15.174 -11.683 5.206 1.00 50.60 ? 63 MET A SD 1 ATOM 159 C CE . MET A 1 24 ? 15.161 -9.910 5.057 1.00 40.99 ? 63 MET A CE 1 ATOM 160 N N . PRO A 1 25 ? 20.401 -10.832 5.054 1.00 49.47 ? 64 PRO A N 1 ATOM 161 C CA . PRO A 1 25 ? 19.628 -9.836 4.279 1.00 47.89 ? 64 PRO A CA 1 ATOM 162 C C . PRO A 1 25 ? 19.093 -10.359 2.953 1.00 46.88 ? 64 PRO A C 1 ATOM 163 O O . PRO A 1 25 ? 19.709 -11.226 2.321 1.00 47.56 ? 64 PRO A O 1 ATOM 164 C CB . PRO A 1 25 ? 20.646 -8.718 4.015 1.00 47.50 ? 64 PRO A CB 1 ATOM 165 C CG . PRO A 1 25 ? 21.976 -9.408 4.051 1.00 46.42 ? 64 PRO A CG 1 ATOM 166 C CD . PRO A 1 25 ? 21.850 -10.560 5.019 1.00 44.36 ? 64 PRO A CD 1 ATOM 167 N N . ASN A 1 26 ? 17.954 -9.819 2.532 1.00 40.90 ? 65 ASN A N 1 ATOM 168 C CA . ASN A 1 26 ? 17.372 -10.232 1.263 1.00 36.75 ? 65 ASN A CA 1 ATOM 169 C C . ASN A 1 26 ? 17.992 -9.485 0.099 1.00 36.26 ? 65 ASN A C 1 ATOM 170 O O . ASN A 1 26 ? 18.933 -8.717 0.307 1.00 38.21 ? 65 ASN A O 1 ATOM 171 C CB . ASN A 1 26 ? 15.857 -10.112 1.295 1.00 33.33 ? 65 ASN A CB 1 ATOM 172 C CG . ASN A 1 26 ? 15.370 -8.698 1.503 1.00 32.27 ? 65 ASN A CG 1 ATOM 173 O OD1 . ASN A 1 26 ? 16.084 -7.692 1.307 1.00 33.66 ? 65 ASN A OD1 1 ATOM 174 N ND2 . ASN A 1 26 ? 14.114 -8.610 1.874 1.00 32.19 ? 65 ASN A ND2 1 ATOM 175 N N . LEU A 1 27 ? 17.472 -9.676 -1.114 1.00 36.54 ? 66 LEU A N 1 ATOM 176 C CA . LEU A 1 27 ? 18.135 -9.134 -2.310 1.00 37.89 ? 66 LEU A CA 1 ATOM 177 C C . LEU A 1 27 ? 17.843 -7.675 -2.504 1.00 43.00 ? 66 LEU A C 1 ATOM 178 O O . LEU A 1 27 ? 18.276 -7.073 -3.472 1.00 48.35 ? 66 LEU A O 1 ATOM 179 C CB . LEU A 1 27 ? 17.745 -9.918 -3.563 1.00 38.78 ? 66 LEU A CB 1 ATOM 180 C CG . LEU A 1 27 ? 18.067 -11.415 -3.441 1.00 40.32 ? 66 LEU A CG 1 ATOM 181 C CD1 . LEU A 1 27 ? 17.780 -12.142 -4.733 1.00 39.47 ? 66 LEU A CD1 1 ATOM 182 C CD2 . LEU A 1 27 ? 19.510 -11.626 -2.996 1.00 39.25 ? 66 LEU A CD2 1 ATOM 183 N N . VAL A 1 28 ? 17.092 -7.105 -1.581 1.00 42.95 ? 67 VAL A N 1 ATOM 184 C CA . VAL A 1 28 ? 16.760 -5.708 -1.648 1.00 45.47 ? 67 VAL A CA 1 ATOM 185 C C . VAL A 1 28 ? 17.416 -4.950 -0.487 1.00 46.98 ? 67 VAL A C 1 ATOM 186 O O . VAL A 1 28 ? 17.362 -3.728 -0.433 1.00 50.92 ? 67 VAL A O 1 ATOM 187 C CB . VAL A 1 28 ? 15.219 -5.549 -1.789 1.00 47.03 ? 67 VAL A CB 1 ATOM 188 C CG1 . VAL A 1 28 ? 14.639 -4.617 -0.758 1.00 46.95 ? 67 VAL A CG1 1 ATOM 189 C CG2 . VAL A 1 28 ? 14.861 -5.163 -3.222 1.00 49.14 ? 67 VAL A CG2 1 ATOM 190 N N . GLY A 1 29 ? 18.068 -5.663 0.429 1.00 47.60 ? 68 GLY A N 1 ATOM 191 C CA . GLY A 1 29 ? 18.811 -4.993 1.505 1.00 45.71 ? 68 GLY A CA 1 ATOM 192 C C . GLY A 1 29 ? 18.248 -5.052 2.919 1.00 48.27 ? 68 GLY A C 1 ATOM 193 O O . GLY A 1 29 ? 18.880 -4.554 3.827 1.00 52.18 ? 68 GLY A O 1 ATOM 194 N N . HIS A 1 30 ? 17.073 -5.649 3.129 1.00 45.10 ? 69 HIS A N 1 ATOM 195 C CA . HIS A 1 30 ? 16.494 -5.691 4.477 1.00 43.08 ? 69 HIS A CA 1 ATOM 196 C C . HIS A 1 30 ? 17.248 -6.676 5.338 1.00 46.86 ? 69 HIS A C 1 ATOM 197 O O . HIS A 1 30 ? 17.485 -7.788 4.899 1.00 49.39 ? 69 HIS A O 1 ATOM 198 C CB . HIS A 1 30 ? 15.021 -6.117 4.443 1.00 42.26 ? 69 HIS A CB 1 ATOM 199 C CG . HIS A 1 30 ? 14.140 -5.194 3.657 1.00 44.30 ? 69 HIS A CG 1 ATOM 200 N ND1 . HIS A 1 30 ? 13.426 -5.606 2.551 1.00 43.38 ? 69 HIS A ND1 1 ATOM 201 C CD2 . HIS A 1 30 ? 13.886 -3.871 3.798 1.00 42.26 ? 69 HIS A CD2 1 ATOM 202 C CE1 . HIS A 1 30 ? 12.746 -4.580 2.066 1.00 42.98 ? 69 HIS A CE1 1 ATOM 203 N NE2 . HIS A 1 30 ? 13.005 -3.520 2.807 1.00 40.70 ? 69 HIS A NE2 1 ATOM 204 N N . GLU A 1 31 ? 17.600 -6.293 6.565 1.00 51.22 ? 70 GLU A N 1 ATOM 205 C CA . GLU A 1 31 ? 18.098 -7.261 7.546 1.00 50.64 ? 70 GLU A CA 1 ATOM 206 C C . GLU A 1 31 ? 16.943 -7.973 8.238 1.00 50.23 ? 70 GLU A C 1 ATOM 207 O O . GLU A 1 31 ? 17.116 -9.039 8.810 1.00 57.77 ? 70 GLU A O 1 ATOM 208 C CB . GLU A 1 31 ? 18.975 -6.583 8.601 1.00 54.80 ? 70 GLU A CB 1 ATOM 209 C CG . GLU A 1 31 ? 20.249 -5.939 8.069 1.00 64.10 ? 70 GLU A CG 1 ATOM 210 C CD . GLU A 1 31 ? 21.313 -6.961 7.692 1.00 70.41 ? 70 GLU A CD 1 ATOM 211 O OE1 . GLU A 1 31 ? 21.246 -8.113 8.178 1.00 75.28 ? 70 GLU A OE1 1 ATOM 212 O OE2 . GLU A 1 31 ? 22.220 -6.613 6.903 1.00 78.08 ? 70 GLU A OE2 1 ATOM 213 N N . LEU A 1 32 ? 15.759 -7.386 8.198 1.00 47.77 ? 71 LEU A N 1 ATOM 214 C CA . LEU A 1 32 ? 14.659 -7.922 8.975 1.00 45.63 ? 71 LEU A CA 1 ATOM 215 C C . LEU A 1 32 ? 13.485 -8.321 8.108 1.00 42.76 ? 71 LEU A C 1 ATOM 216 O O . LEU A 1 32 ? 13.042 -7.545 7.260 1.00 44.62 ? 71 LEU A O 1 ATOM 217 C CB . LEU A 1 32 ? 14.199 -6.885 10.015 1.00 49.20 ? 71 LEU A CB 1 ATOM 218 C CG . LEU A 1 32 ? 15.168 -6.413 11.101 1.00 49.53 ? 71 LEU A CG 1 ATOM 219 C CD1 . LEU A 1 32 ? 14.635 -5.131 11.725 1.00 44.18 ? 71 LEU A CD1 1 ATOM 220 C CD2 . LEU A 1 32 ? 15.329 -7.500 12.154 1.00 48.67 ? 71 LEU A CD2 1 ATOM 221 N N . GLN A 1 33 ? 12.975 -9.523 8.336 1.00 38.56 ? 72 GLN A N 1 ATOM 222 C CA . GLN A 1 33 ? 11.781 -9.989 7.631 1.00 38.54 ? 72 GLN A CA 1 ATOM 223 C C . GLN A 1 33 ? 10.617 -9.006 7.772 1.00 40.56 ? 72 GLN A C 1 ATOM 224 O O . GLN A 1 33 ? 9.847 -8.784 6.840 1.00 42.46 ? 72 GLN A O 1 ATOM 225 C CB . GLN A 1 33 ? 11.339 -11.365 8.142 1.00 36.19 ? 72 GLN A CB 1 ATOM 226 C CG . GLN A 1 33 ? 12.159 -12.500 7.563 1.00 39.38 ? 72 GLN A CG 1 ATOM 227 C CD . GLN A 1 33 ? 11.539 -13.862 7.826 1.00 43.06 ? 72 GLN A CD 1 ATOM 228 O OE1 . GLN A 1 33 ? 10.376 -14.140 7.473 1.00 44.75 ? 72 GLN A OE1 1 ATOM 229 N NE2 . GLN A 1 33 ? 12.328 -14.735 8.437 1.00 47.67 ? 72 GLN A NE2 1 ATOM 230 N N . THR A 1 34 ? 10.478 -8.430 8.949 1.00 39.77 ? 73 THR A N 1 ATOM 231 C CA . THR A 1 34 ? 9.334 -7.583 9.230 1.00 44.55 ? 73 THR A CA 1 ATOM 232 C C . THR A 1 34 ? 9.328 -6.322 8.317 1.00 42.16 ? 73 THR A C 1 ATOM 233 O O . THR A 1 34 ? 8.286 -5.936 7.801 1.00 40.90 ? 73 THR A O 1 ATOM 234 C CB . THR A 1 34 ? 9.268 -7.268 10.749 1.00 44.47 ? 73 THR A CB 1 ATOM 235 O OG1 . THR A 1 34 ? 7.932 -6.896 11.098 1.00 48.76 ? 73 THR A OG1 1 ATOM 236 C CG2 . THR A 1 34 ? 10.274 -6.159 11.150 1.00 39.50 ? 73 THR A CG2 1 ATOM 237 N N . ASP A 1 35 ? 10.498 -5.719 8.089 1.00 40.07 ? 74 ASP A N 1 ATOM 238 C CA . ASP A 1 35 ? 10.606 -4.600 7.146 1.00 39.25 ? 74 ASP A CA 1 ATOM 239 C C . ASP A 1 35 ? 10.253 -5.021 5.733 1.00 40.73 ? 74 ASP A C 1 ATOM 240 O O . ASP A 1 35 ? 9.623 -4.252 4.991 1.00 40.58 ? 74 ASP A O 1 ATOM 241 C CB . ASP A 1 35 ? 12.009 -3.998 7.129 1.00 38.93 ? 74 ASP A CB 1 ATOM 242 C CG . ASP A 1 35 ? 12.358 -3.323 8.429 1.00 42.22 ? 74 ASP A CG 1 ATOM 243 O OD1 . ASP A 1 35 ? 11.525 -3.383 9.365 1.00 44.12 ? 74 ASP A OD1 1 ATOM 244 O OD2 . ASP A 1 35 ? 13.460 -2.743 8.521 1.00 44.89 ? 74 ASP A OD2 1 ATOM 245 N N . ALA A 1 36 ? 10.683 -6.225 5.359 1.00 36.60 ? 75 ALA A N 1 ATOM 246 C CA . ALA A 1 36 ? 10.375 -6.754 4.041 1.00 37.79 ? 75 ALA A CA 1 ATOM 247 C C . ALA A 1 36 ? 8.869 -6.945 3.888 1.00 35.59 ? 75 ALA A C 1 ATOM 248 O O . ALA A 1 36 ? 8.319 -6.621 2.850 1.00 38.50 ? 75 ALA A O 1 ATOM 249 C CB . ALA A 1 36 ? 11.102 -8.081 3.794 1.00 35.79 ? 75 ALA A CB 1 ATOM 250 N N . GLU A 1 37 ? 8.216 -7.477 4.918 1.00 35.88 ? 76 GLU A N 1 ATOM 251 C CA . GLU A 1 37 ? 6.765 -7.691 4.886 1.00 40.39 ? 76 GLU A CA 1 ATOM 252 C C . GLU A 1 37 ? 6.036 -6.356 4.709 1.00 39.09 ? 76 GLU A C 1 ATOM 253 O O . GLU A 1 37 ? 5.108 -6.255 3.917 1.00 41.23 ? 76 GLU A O 1 ATOM 254 C CB . GLU A 1 37 ? 6.271 -8.417 6.143 1.00 43.43 ? 76 GLU A CB 1 ATOM 255 C CG . GLU A 1 37 ? 4.788 -8.754 6.118 1.00 46.58 ? 76 GLU A CG 1 ATOM 256 C CD . GLU A 1 37 ? 4.374 -9.720 7.215 1.00 57.39 ? 76 GLU A CD 1 ATOM 257 O OE1 . GLU A 1 37 ? 3.567 -10.640 6.919 1.00 65.45 ? 76 GLU A OE1 1 ATOM 258 O OE2 . GLU A 1 37 ? 4.838 -9.574 8.377 1.00 58.70 ? 76 GLU A OE2 1 ATOM 259 N N . LEU A 1 38 ? 6.489 -5.326 5.414 1.00 36.05 ? 77 LEU A N 1 ATOM 260 C CA . LEU A 1 38 ? 5.919 -3.999 5.228 1.00 35.64 ? 77 LEU A CA 1 ATOM 261 C C . LEU A 1 38 ? 6.062 -3.469 3.778 1.00 37.80 ? 77 LEU A C 1 ATOM 262 O O . LEU A 1 38 ? 5.094 -2.974 3.171 1.00 36.98 ? 77 LEU A O 1 ATOM 263 C CB . LEU A 1 38 ? 6.495 -3.020 6.248 1.00 32.96 ? 77 LEU A CB 1 ATOM 264 C CG . LEU A 1 38 ? 5.812 -1.644 6.210 1.00 33.28 ? 77 LEU A CG 1 ATOM 265 C CD1 . LEU A 1 38 ? 4.302 -1.752 6.278 1.00 31.50 ? 77 LEU A CD1 1 ATOM 266 C CD2 . LEU A 1 38 ? 6.349 -0.687 7.246 1.00 33.66 ? 77 LEU A CD2 1 ATOM 267 N N . GLN A 1 39 ? 7.260 -3.593 3.223 1.00 36.08 ? 78 GLN A N 1 ATOM 268 C CA . GLN A 1 39 ? 7.520 -3.155 1.854 1.00 35.71 ? 78 GLN A CA 1 ATOM 269 C C . GLN A 1 39 ? 6.712 -3.988 0.864 1.00 36.16 ? 78 GLN A C 1 ATOM 270 O O . GLN A 1 39 ? 6.267 -3.484 -0.150 1.00 34.79 ? 78 GLN A O 1 ATOM 271 C CB . GLN A 1 39 ? 9.016 -3.228 1.539 1.00 33.29 ? 78 GLN A CB 1 ATOM 272 C CG . GLN A 1 39 ? 9.384 -2.624 0.201 1.00 39.47 ? 78 GLN A CG 1 ATOM 273 C CD . GLN A 1 39 ? 10.824 -2.102 0.141 1.00 41.82 ? 78 GLN A CD 1 ATOM 274 O OE1 . GLN A 1 39 ? 11.273 -1.328 1.004 1.00 40.01 ? 78 GLN A OE1 1 ATOM 275 N NE2 . GLN A 1 39 ? 11.545 -2.502 -0.901 1.00 40.58 ? 78 GLN A NE2 1 ATOM 276 N N . LEU A 1 40 ? 6.515 -5.269 1.154 1.00 36.12 ? 79 LEU A N 1 ATOM 277 C CA . LEU A 1 40 ? 5.718 -6.119 0.260 1.00 33.89 ? 79 LEU A CA 1 ATOM 278 C C . LEU A 1 40 ? 4.296 -5.616 0.023 1.00 35.43 ? 79 LEU A C 1 ATOM 279 O O . LEU A 1 40 ? 3.740 -5.842 -1.036 1.00 35.17 ? 79 LEU A O 1 ATOM 280 C CB . LEU A 1 40 ? 5.698 -7.543 0.765 1.00 34.32 ? 79 LEU A CB 1 ATOM 281 C CG . LEU A 1 40 ? 6.867 -8.383 0.233 1.00 41.39 ? 79 LEU A CG 1 ATOM 282 C CD1 . LEU A 1 40 ? 6.886 -9.782 0.833 1.00 40.26 ? 79 LEU A CD1 1 ATOM 283 C CD2 . LEU A 1 40 ? 6.808 -8.452 -1.284 1.00 43.39 ? 79 LEU A CD2 1 ATOM 284 N N . THR A 1 41 ? 3.710 -4.945 1.017 1.00 36.55 ? 80 THR A N 1 ATOM 285 C CA . THR A 1 41 ? 2.300 -4.504 0.940 1.00 39.01 ? 80 THR A CA 1 ATOM 286 C C . THR A 1 41 ? 2.093 -3.530 -0.209 1.00 38.94 ? 80 THR A C 1 ATOM 287 O O . THR A 1 41 ? 1.004 -3.456 -0.765 1.00 43.01 ? 80 THR A O 1 ATOM 288 C CB . THR A 1 41 ? 1.759 -3.870 2.250 1.00 37.56 ? 80 THR A CB 1 ATOM 289 O OG1 . THR A 1 41 ? 2.446 -2.636 2.505 1.00 39.29 ? 80 THR A OG1 1 ATOM 290 C CG2 . THR A 1 41 ? 1.925 -4.816 3.431 1.00 35.33 ? 80 THR A CG2 1 ATOM 291 N N . THR A 1 42 ? 3.152 -2.829 -0.595 1.00 39.99 ? 81 THR A N 1 ATOM 292 C CA . THR A 1 42 ? 3.124 -1.945 -1.762 1.00 43.69 ? 81 THR A CA 1 ATOM 293 C C . THR A 1 42 ? 2.677 -2.639 -3.049 1.00 41.03 ? 81 THR A C 1 ATOM 294 O O . THR A 1 42 ? 2.238 -1.978 -3.995 1.00 43.04 ? 81 THR A O 1 ATOM 295 C CB . THR A 1 42 ? 4.522 -1.324 -2.045 1.00 48.53 ? 81 THR A CB 1 ATOM 296 O OG1 . THR A 1 42 ? 5.309 -1.346 -0.855 1.00 54.92 ? 81 THR A OG1 1 ATOM 297 C CG2 . THR A 1 42 ? 4.394 0.125 -2.475 1.00 59.47 ? 81 THR A CG2 1 ATOM 298 N N . PHE A 1 43 ? 2.827 -3.958 -3.092 1.00 38.60 ? 82 PHE A N 1 ATOM 299 C CA . PHE A 1 43 ? 2.577 -4.728 -4.291 1.00 38.50 ? 82 PHE A CA 1 ATOM 300 C C . PHE A 1 43 ? 1.277 -5.496 -4.281 1.00 37.80 ? 82 PHE A C 1 ATOM 301 O O . PHE A 1 43 ? 0.926 -6.110 -5.280 1.00 41.34 ? 82 PHE A O 1 ATOM 302 C CB . PHE A 1 43 ? 3.704 -5.709 -4.537 1.00 38.62 ? 82 PHE A CB 1 ATOM 303 C CG . PHE A 1 43 ? 5.006 -5.049 -4.826 1.00 39.27 ? 82 PHE A CG 1 ATOM 304 C CD1 . PHE A 1 43 ? 5.241 -4.477 -6.064 1.00 41.22 ? 82 PHE A CD1 1 ATOM 305 C CD2 . PHE A 1 43 ? 5.992 -5.001 -3.865 1.00 38.78 ? 82 PHE A CD2 1 ATOM 306 C CE1 . PHE A 1 43 ? 6.434 -3.845 -6.335 1.00 41.77 ? 82 PHE A CE1 1 ATOM 307 C CE2 . PHE A 1 43 ? 7.200 -4.388 -4.132 1.00 39.72 ? 82 PHE A CE2 1 ATOM 308 C CZ . PHE A 1 43 ? 7.420 -3.793 -5.369 1.00 39.82 ? 82 PHE A CZ 1 ATOM 309 N N . THR A 1 44 ? 0.541 -5.470 -3.184 1.00 37.14 ? 83 THR A N 1 ATOM 310 C CA . THR A 1 44 ? -0.666 -6.282 -3.128 1.00 43.40 ? 83 THR A CA 1 ATOM 311 C C . THR A 1 44 ? -1.730 -5.912 -4.184 1.00 40.15 ? 83 THR A C 1 ATOM 312 O O . THR A 1 44 ? -2.401 -6.818 -4.686 1.00 46.15 ? 83 THR A O 1 ATOM 313 C CB . THR A 1 44 ? -1.275 -6.325 -1.706 1.00 49.46 ? 83 THR A CB 1 ATOM 314 O OG1 . THR A 1 44 ? -1.806 -5.047 -1.386 1.00 58.95 ? 83 THR A OG1 1 ATOM 315 C CG2 . THR A 1 44 ? -0.215 -6.639 -0.681 1.00 51.13 ? 83 THR A CG2 1 ATOM 316 N N . PRO A 1 45 ? -1.897 -4.603 -4.533 1.00 37.29 ? 84 PRO A N 1 ATOM 317 C CA . PRO A 1 45 ? -2.812 -4.303 -5.655 1.00 35.40 ? 84 PRO A CA 1 ATOM 318 C C . PRO A 1 45 ? -2.433 -5.030 -6.928 1.00 37.06 ? 84 PRO A C 1 ATOM 319 O O . PRO A 1 45 ? -3.302 -5.609 -7.595 1.00 39.48 ? 84 PRO A O 1 ATOM 320 C CB . PRO A 1 45 ? -2.667 -2.782 -5.851 1.00 34.47 ? 84 PRO A CB 1 ATOM 321 C CG . PRO A 1 45 ? -2.278 -2.278 -4.510 1.00 36.91 ? 84 PRO A CG 1 ATOM 322 C CD . PRO A 1 45 ? -1.381 -3.356 -3.939 1.00 37.90 ? 84 PRO A CD 1 ATOM 323 N N . LEU A 1 46 ? -1.144 -5.030 -7.251 1.00 37.04 ? 85 LEU A N 1 ATOM 324 C CA . LEU A 1 46 ? -0.642 -5.752 -8.413 1.00 38.16 ? 85 LEU A CA 1 ATOM 325 C C . LEU A 1 46 ? -0.940 -7.247 -8.300 1.00 41.88 ? 85 LEU A C 1 ATOM 326 O O . LEU A 1 46 ? -1.319 -7.906 -9.255 1.00 44.01 ? 85 LEU A O 1 ATOM 327 C CB . LEU A 1 46 ? 0.861 -5.536 -8.525 1.00 39.11 ? 85 LEU A CB 1 ATOM 328 C CG . LEU A 1 46 ? 1.451 -5.249 -9.895 1.00 41.10 ? 85 LEU A CG 1 ATOM 329 C CD1 . LEU A 1 46 ? 0.773 -4.069 -10.585 1.00 39.07 ? 85 LEU A CD1 1 ATOM 330 C CD2 . LEU A 1 46 ? 2.928 -4.962 -9.728 1.00 41.23 ? 85 LEU A CD2 1 ATOM 331 N N . ILE A 1 47 ? -0.767 -7.797 -7.111 1.00 45.16 ? 86 ILE A N 1 ATOM 332 C CA . ILE A 1 47 ? -0.986 -9.218 -6.905 1.00 44.45 ? 86 ILE A CA 1 ATOM 333 C C . ILE A 1 47 ? -2.484 -9.513 -7.068 1.00 46.94 ? 86 ILE A C 1 ATOM 334 O O . ILE A 1 47 ? -2.880 -10.472 -7.730 1.00 46.57 ? 86 ILE A O 1 ATOM 335 C CB . ILE A 1 47 ? -0.482 -9.637 -5.509 1.00 48.62 ? 86 ILE A CB 1 ATOM 336 C CG1 . ILE A 1 47 ? 1.054 -9.566 -5.446 1.00 46.73 ? 86 ILE A CG1 1 ATOM 337 C CG2 . ILE A 1 47 ? -0.955 -11.040 -5.171 1.00 46.71 ? 86 ILE A CG2 1 ATOM 338 C CD1 . ILE A 1 47 ? 1.588 -9.520 -4.029 1.00 42.94 ? 86 ILE A CD1 1 ATOM 339 N N . GLN A 1 48 ? -3.318 -8.667 -6.477 1.00 46.21 ? 87 GLN A N 1 ATOM 340 C CA . GLN A 1 48 ? -4.753 -8.803 -6.619 1.00 48.59 ? 87 GLN A CA 1 ATOM 341 C C . GLN A 1 48 ? -5.207 -8.727 -8.082 1.00 47.89 ? 87 GLN A C 1 ATOM 342 O O . GLN A 1 48 ? -6.067 -9.479 -8.522 1.00 46.67 ? 87 GLN A O 1 ATOM 343 C CB . GLN A 1 48 ? -5.453 -7.740 -5.780 1.00 55.88 ? 87 GLN A CB 1 ATOM 344 C CG . GLN A 1 48 ? -6.968 -7.767 -5.911 1.00 74.70 ? 87 GLN A CG 1 ATOM 345 C CD . GLN A 1 48 ? -7.624 -8.920 -5.159 1.00 81.10 ? 87 GLN A CD 1 ATOM 346 O OE1 . GLN A 1 48 ? -7.244 -9.239 -4.022 1.00 88.94 ? 87 GLN A OE1 1 ATOM 347 N NE2 . GLN A 1 48 ? -8.625 -9.542 -5.785 1.00 80.06 ? 87 GLN A NE2 1 ATOM 348 N N . TYR A 1 49 ? -4.609 -7.814 -8.835 1.00 46.04 ? 88 TYR A N 1 ATOM 349 C CA . TYR A 1 49 ? -4.936 -7.644 -10.235 1.00 44.15 ? 88 TYR A CA 1 ATOM 350 C C . TYR A 1 49 ? -4.674 -8.892 -11.072 1.00 47.26 ? 88 TYR A C 1 ATOM 351 O O . TYR A 1 49 ? -5.409 -9.181 -12.025 1.00 49.25 ? 88 TYR A O 1 ATOM 352 C CB . TYR A 1 49 ? -4.143 -6.481 -10.822 1.00 42.13 ? 88 TYR A CB 1 ATOM 353 C CG . TYR A 1 49 ? -4.509 -6.199 -12.259 1.00 42.81 ? 88 TYR A CG 1 ATOM 354 C CD1 . TYR A 1 49 ? -5.649 -5.458 -12.569 1.00 44.05 ? 88 TYR A CD1 1 ATOM 355 C CD2 . TYR A 1 49 ? -3.724 -6.670 -13.308 1.00 39.32 ? 88 TYR A CD2 1 ATOM 356 C CE1 . TYR A 1 49 ? -5.992 -5.187 -13.885 1.00 41.93 ? 88 TYR A CE1 1 ATOM 357 C CE2 . TYR A 1 49 ? -4.064 -6.410 -14.622 1.00 41.11 ? 88 TYR A CE2 1 ATOM 358 C CZ . TYR A 1 49 ? -5.205 -5.664 -14.907 1.00 42.30 ? 88 TYR A CZ 1 ATOM 359 O OH . TYR A 1 49 ? -5.567 -5.395 -16.220 1.00 44.06 ? 88 TYR A OH 1 ATOM 360 N N . GLY A 1 50 ? -3.597 -9.602 -10.758 1.00 44.12 ? 89 GLY A N 1 ATOM 361 C CA . GLY A 1 50 ? -3.290 -10.818 -11.467 1.00 42.30 ? 89 GLY A CA 1 ATOM 362 C C . GLY A 1 50 ? -2.655 -10.603 -12.819 1.00 50.44 ? 89 GLY A C 1 ATOM 363 O O . GLY A 1 50 ? -3.040 -11.261 -13.786 1.00 59.01 ? 89 GLY A O 1 ATOM 364 N N . CYS A 1 51 ? -1.672 -9.702 -12.903 1.00 49.93 ? 90 CYS A N 1 ATOM 365 C CA . CYS A 1 51 ? -0.955 -9.478 -14.163 1.00 49.47 ? 90 CYS A CA 1 ATOM 366 C C . CYS A 1 51 ? -0.005 -10.628 -14.501 1.00 49.46 ? 90 CYS A C 1 ATOM 367 O O . CYS A 1 51 ? 0.269 -10.902 -15.665 1.00 50.18 ? 90 CYS A O 1 ATOM 368 C CB . CYS A 1 51 ? -0.175 -8.147 -14.166 1.00 51.97 ? 90 CYS A CB 1 ATOM 369 S SG . CYS A 1 51 ? 0.825 -7.747 -12.716 1.00 55.97 ? 90 CYS A SG 1 ATOM 370 N N . SER A 1 52 ? 0.518 -11.288 -13.479 1.00 48.62 ? 91 SER A N 1 ATOM 371 C CA . SER A 1 52 ? 1.383 -12.445 -13.709 1.00 47.77 ? 91 SER A CA 1 ATOM 372 C C . SER A 1 52 ? 1.210 -13.481 -12.617 1.00 46.94 ? 91 SER A C 1 ATOM 373 O O . SER A 1 52 ? 1.300 -13.159 -11.428 1.00 47.37 ? 91 SER A O 1 ATOM 374 C CB . SER A 1 52 ? 2.846 -12.017 -13.798 1.00 44.55 ? 91 SER A CB 1 ATOM 375 O OG . SER A 1 52 ? 3.688 -13.105 -13.487 1.00 48.62 ? 91 SER A OG 1 ATOM 376 N N . SER A 1 53 ? 0.976 -14.730 -13.019 1.00 49.10 ? 92 SER A N 1 ATOM 377 C CA . SER A 1 53 ? 0.842 -15.834 -12.059 1.00 51.03 ? 92 SER A CA 1 ATOM 378 C C . SER A 1 53 ? 2.151 -16.045 -11.280 1.00 48.70 ? 92 SER A C 1 ATOM 379 O O . SER A 1 53 ? 2.150 -16.626 -10.197 1.00 50.58 ? 92 SER A O 1 ATOM 380 C CB . SER A 1 53 ? 0.420 -17.127 -12.766 1.00 50.67 ? 92 SER A CB 1 ATOM 381 O OG . SER A 1 53 ? 1.419 -17.537 -13.679 1.00 55.74 ? 92 SER A OG 1 ATOM 382 N N . GLN A 1 54 ? 3.251 -15.521 -11.808 1.00 43.64 ? 93 GLN A N 1 ATOM 383 C CA . GLN A 1 54 ? 4.547 -15.661 -11.149 1.00 45.00 ? 93 GLN A CA 1 ATOM 384 C C . GLN A 1 54 ? 4.953 -14.507 -10.226 1.00 42.88 ? 93 GLN A C 1 ATOM 385 O O . GLN A 1 54 ? 6.043 -14.549 -9.639 1.00 42.81 ? 93 GLN A O 1 ATOM 386 C CB . GLN A 1 54 ? 5.662 -15.828 -12.185 1.00 44.79 ? 93 GLN A CB 1 ATOM 387 C CG . GLN A 1 54 ? 5.558 -17.062 -13.047 1.00 49.67 ? 93 GLN A CG 1 ATOM 388 C CD . GLN A 1 54 ? 6.789 -17.250 -13.920 1.00 58.68 ? 93 GLN A CD 1 ATOM 389 O OE1 . GLN A 1 54 ? 7.541 -18.212 -13.732 1.00 66.52 ? 93 GLN A OE1 1 ATOM 390 N NE2 . GLN A 1 54 ? 7.020 -16.321 -14.868 1.00 58.50 ? 93 GLN A NE2 1 ATOM 391 N N . LEU A 1 55 ? 4.124 -13.475 -10.112 1.00 39.48 ? 94 LEU A N 1 ATOM 392 C CA . LEU A 1 55 ? 4.535 -12.261 -9.404 1.00 36.28 ? 94 LEU A CA 1 ATOM 393 C C . LEU A 1 55 ? 4.799 -12.558 -7.930 1.00 37.68 ? 94 LEU A C 1 ATOM 394 O O . LEU A 1 55 ? 5.825 -12.140 -7.372 1.00 37.48 ? 94 LEU A O 1 ATOM 395 C CB . LEU A 1 55 ? 3.487 -11.145 -9.552 1.00 36.42 ? 94 LEU A CB 1 ATOM 396 C CG . LEU A 1 55 ? 3.785 -9.853 -8.779 1.00 36.55 ? 94 LEU A CG 1 ATOM 397 C CD1 . LEU A 1 55 ? 5.120 -9.244 -9.201 1.00 32.95 ? 94 LEU A CD1 1 ATOM 398 C CD2 . LEU A 1 55 ? 2.638 -8.846 -8.910 1.00 39.27 ? 94 LEU A CD2 1 ATOM 399 N N . GLN A 1 56 ? 3.891 -13.294 -7.289 1.00 36.65 ? 95 GLN A N 1 ATOM 400 C CA . GLN A 1 56 ? 4.057 -13.560 -5.868 1.00 39.46 ? 95 GLN A CA 1 ATOM 401 C C . GLN A 1 56 ? 5.367 -14.310 -5.625 1.00 40.22 ? 95 GLN A C 1 ATOM 402 O O . GLN A 1 56 ? 6.159 -13.909 -4.779 1.00 42.65 ? 95 GLN A O 1 ATOM 403 C CB . GLN A 1 56 ? 2.892 -14.349 -5.302 1.00 43.71 ? 95 GLN A CB 1 ATOM 404 C CG . GLN A 1 56 ? 3.043 -14.649 -3.817 1.00 58.82 ? 95 GLN A CG 1 ATOM 405 C CD . GLN A 1 56 ? 2.670 -16.083 -3.452 1.00 75.90 ? 95 GLN A CD 1 ATOM 406 O OE1 . GLN A 1 56 ? 2.391 -16.902 -4.335 1.00 86.82 ? 95 GLN A OE1 1 ATOM 407 N NE2 . GLN A 1 56 ? 2.665 -16.393 -2.150 1.00 79.42 ? 95 GLN A NE2 1 ATOM 408 N N . PHE A 1 57 ? 5.601 -15.380 -6.384 1.00 38.37 ? 96 PHE A N 1 ATOM 409 C CA . PHE A 1 57 ? 6.812 -16.165 -6.215 1.00 36.92 ? 96 PHE A CA 1 ATOM 410 C C . PHE A 1 57 ? 8.059 -15.311 -6.452 1.00 34.68 ? 96 PHE A C 1 ATOM 411 O O . PHE A 1 57 ? 9.021 -15.373 -5.697 1.00 35.63 ? 96 PHE A O 1 ATOM 412 C CB . PHE A 1 57 ? 6.827 -17.383 -7.140 1.00 38.23 ? 96 PHE A CB 1 ATOM 413 C CG . PHE A 1 57 ? 8.033 -18.238 -6.938 1.00 41.63 ? 96 PHE A CG 1 ATOM 414 C CD1 . PHE A 1 57 ? 8.047 -19.198 -5.929 1.00 43.11 ? 96 PHE A CD1 1 ATOM 415 C CD2 . PHE A 1 57 ? 9.183 -18.031 -7.683 1.00 41.14 ? 96 PHE A CD2 1 ATOM 416 C CE1 . PHE A 1 57 ? 9.170 -19.973 -5.703 1.00 44.95 ? 96 PHE A CE1 1 ATOM 417 C CE2 . PHE A 1 57 ? 10.316 -18.796 -7.451 1.00 46.19 ? 96 PHE A CE2 1 ATOM 418 C CZ . PHE A 1 57 ? 10.309 -19.774 -6.464 1.00 47.08 ? 96 PHE A CZ 1 ATOM 419 N N . PHE A 1 58 ? 8.032 -14.506 -7.502 1.00 33.19 ? 97 PHE A N 1 ATOM 420 C CA . PHE A 1 58 ? 9.163 -13.634 -7.807 1.00 33.64 ? 97 PHE A CA 1 ATOM 421 C C . PHE A 1 58 ? 9.473 -12.651 -6.671 1.00 36.38 ? 97 PHE A C 1 ATOM 422 O O . PHE A 1 58 ? 10.632 -12.470 -6.304 1.00 37.07 ? 97 PHE A O 1 ATOM 423 C CB . PHE A 1 58 ? 8.935 -12.872 -9.117 1.00 30.72 ? 97 PHE A CB 1 ATOM 424 C CG . PHE A 1 58 ? 9.921 -11.771 -9.330 1.00 31.11 ? 97 PHE A CG 1 ATOM 425 C CD1 . PHE A 1 58 ? 11.262 -12.070 -9.645 1.00 29.25 ? 97 PHE A CD1 1 ATOM 426 C CD2 . PHE A 1 58 ? 9.537 -10.440 -9.177 1.00 29.13 ? 97 PHE A CD2 1 ATOM 427 C CE1 . PHE A 1 58 ? 12.182 -11.060 -9.803 1.00 30.43 ? 97 PHE A CE1 1 ATOM 428 C CE2 . PHE A 1 58 ? 10.453 -9.420 -9.360 1.00 29.91 ? 97 PHE A CE2 1 ATOM 429 C CZ . PHE A 1 58 ? 11.781 -9.721 -9.672 1.00 29.37 ? 97 PHE A CZ 1 ATOM 430 N N . LEU A 1 59 ? 8.438 -12.021 -6.104 1.00 36.57 ? 98 LEU A N 1 ATOM 431 C CA . LEU A 1 59 ? 8.640 -11.054 -5.026 1.00 34.05 ? 98 LEU A CA 1 ATOM 432 C C . LEU A 1 59 ? 9.159 -11.744 -3.766 1.00 33.70 ? 98 LEU A C 1 ATOM 433 O O . LEU A 1 59 ? 10.091 -11.269 -3.123 1.00 30.57 ? 98 LEU A O 1 ATOM 434 C CB . LEU A 1 59 ? 7.341 -10.296 -4.721 1.00 34.25 ? 98 LEU A CB 1 ATOM 435 C CG . LEU A 1 59 ? 6.872 -9.279 -5.785 1.00 35.89 ? 98 LEU A CG 1 ATOM 436 C CD1 . LEU A 1 59 ? 5.506 -8.717 -5.422 1.00 34.64 ? 98 LEU A CD1 1 ATOM 437 C CD2 . LEU A 1 59 ? 7.860 -8.128 -5.976 1.00 35.29 ? 98 LEU A CD2 1 ATOM 438 N N . CYS A 1 60 ? 8.538 -12.859 -3.405 1.00 32.04 ? 99 CYS A N 1 ATOM 439 C CA . CYS A 1 60 ? 9.010 -13.650 -2.273 1.00 37.55 ? 99 CYS A CA 1 ATOM 440 C C . CYS A 1 60 ? 10.465 -14.121 -2.438 1.00 37.37 ? 99 CYS A C 1 ATOM 441 O O . CYS A 1 60 ? 11.239 -14.078 -1.494 1.00 40.56 ? 99 CYS A O 1 ATOM 442 C CB . CYS A 1 60 ? 8.081 -14.844 -2.026 1.00 40.85 ? 99 CYS A CB 1 ATOM 443 S SG . CYS A 1 60 ? 6.495 -14.333 -1.320 1.00 46.61 ? 99 CYS A SG 1 ATOM 444 N N . SER A 1 61 ? 10.833 -14.524 -3.645 1.00 37.64 ? 100 SER A N 1 ATOM 445 C CA . SER A 1 61 ? 12.200 -14.976 -3.941 1.00 38.52 ? 100 SER A CA 1 ATOM 446 C C . SER A 1 61 ? 13.215 -13.836 -3.797 1.00 38.42 ? 100 SER A C 1 ATOM 447 O O . SER A 1 61 ? 14.399 -14.075 -3.585 1.00 39.59 ? 100 SER A O 1 ATOM 448 C CB . SER A 1 61 ? 12.264 -15.597 -5.343 1.00 35.83 ? 100 SER A CB 1 ATOM 449 O OG . SER A 1 61 ? 12.534 -14.608 -6.340 1.00 39.34 ? 100 SER A OG 1 ATOM 450 N N . VAL A 1 62 ? 12.744 -12.597 -3.919 1.00 38.28 ? 101 VAL A N 1 ATOM 451 C CA . VAL A 1 62 ? 13.586 -11.407 -3.777 1.00 36.23 ? 101 VAL A CA 1 ATOM 452 C C . VAL A 1 62 ? 13.606 -10.935 -2.313 1.00 37.38 ? 101 VAL A C 1 ATOM 453 O O . VAL A 1 62 ? 14.669 -10.677 -1.738 1.00 36.59 ? 101 VAL A O 1 ATOM 454 C CB . VAL A 1 62 ? 13.094 -10.266 -4.709 1.00 34.71 ? 101 VAL A CB 1 ATOM 455 C CG1 . VAL A 1 62 ? 13.760 -8.943 -4.370 1.00 35.04 ? 101 VAL A CG1 1 ATOM 456 C CG2 . VAL A 1 62 ? 13.368 -10.599 -6.162 1.00 32.92 ? 101 VAL A CG2 1 ATOM 457 N N . TYR A 1 63 ? 12.428 -10.858 -1.712 1.00 37.26 ? 102 TYR A N 1 ATOM 458 C CA . TYR A 1 63 ? 12.252 -10.306 -0.366 1.00 36.97 ? 102 TYR A CA 1 ATOM 459 C C . TYR A 1 63 ? 12.555 -11.294 0.742 1.00 36.95 ? 102 TYR A C 1 ATOM 460 O O . TYR A 1 63 ? 12.945 -10.903 1.835 1.00 31.56 ? 102 TYR A O 1 ATOM 461 C CB . TYR A 1 63 ? 10.829 -9.746 -0.218 1.00 35.46 ? 102 TYR A CB 1 ATOM 462 C CG . TYR A 1 63 ? 10.726 -8.375 -0.842 1.00 37.91 ? 102 TYR A CG 1 ATOM 463 C CD1 . TYR A 1 63 ? 10.568 -8.218 -2.218 1.00 40.57 ? 102 TYR A CD1 1 ATOM 464 C CD2 . TYR A 1 63 ? 10.856 -7.239 -0.063 1.00 38.66 ? 102 TYR A CD2 1 ATOM 465 C CE1 . TYR A 1 63 ? 10.511 -6.967 -2.799 1.00 38.17 ? 102 TYR A CE1 1 ATOM 466 C CE2 . TYR A 1 63 ? 10.783 -5.985 -0.627 1.00 44.70 ? 102 TYR A CE2 1 ATOM 467 C CZ . TYR A 1 63 ? 10.608 -5.860 -1.998 1.00 41.83 ? 102 TYR A CZ 1 ATOM 468 O OH . TYR A 1 63 ? 10.548 -4.602 -2.543 1.00 44.66 ? 102 TYR A OH 1 ATOM 469 N N . VAL A 1 64 ? 12.372 -12.579 0.452 1.00 36.27 ? 103 VAL A N 1 ATOM 470 C CA . VAL A 1 64 ? 12.644 -13.618 1.433 1.00 37.89 ? 103 VAL A CA 1 ATOM 471 C C . VAL A 1 64 ? 13.293 -14.819 0.687 1.00 37.40 ? 103 VAL A C 1 ATOM 472 O O . VAL A 1 64 ? 12.708 -15.876 0.540 1.00 37.81 ? 103 VAL A O 1 ATOM 473 C CB . VAL A 1 64 ? 11.349 -13.873 2.260 1.00 38.93 ? 103 VAL A CB 1 ATOM 474 C CG1 . VAL A 1 64 ? 10.309 -14.722 1.550 1.00 35.30 ? 103 VAL A CG1 1 ATOM 475 C CG2 . VAL A 1 64 ? 11.655 -14.381 3.642 1.00 41.62 ? 103 VAL A CG2 1 ATOM 476 N N . PRO A 1 65 ? 14.505 -14.615 0.153 1.00 36.65 ? 104 PRO A N 1 ATOM 477 C CA . PRO A 1 65 ? 15.160 -15.573 -0.736 1.00 40.10 ? 104 PRO A CA 1 ATOM 478 C C . PRO A 1 65 ? 15.457 -16.922 -0.075 1.00 42.99 ? 104 PRO A C 1 ATOM 479 O O . PRO A 1 65 ? 15.633 -17.004 1.144 1.00 42.44 ? 104 PRO A O 1 ATOM 480 C CB . PRO A 1 65 ? 16.463 -14.866 -1.126 1.00 34.45 ? 104 PRO A CB 1 ATOM 481 C CG . PRO A 1 65 ? 16.706 -13.900 -0.048 1.00 36.35 ? 104 PRO A CG 1 ATOM 482 C CD . PRO A 1 65 ? 15.371 -13.468 0.463 1.00 36.02 ? 104 PRO A CD 1 ATOM 483 N N . MET A 1 66 ? 15.496 -17.979 -0.879 1.00 49.18 ? 105 MET A N 1 ATOM 484 C CA . MET A 1 66 ? 15.679 -19.330 -0.334 1.00 51.56 ? 105 MET A CA 1 ATOM 485 C C . MET A 1 66 ? 17.025 -19.519 0.328 1.00 48.13 ? 105 MET A C 1 ATOM 486 O O . MET A 1 66 ? 18.051 -19.125 -0.211 1.00 46.33 ? 105 MET A O 1 ATOM 487 C CB . MET A 1 66 ? 15.472 -20.376 -1.419 1.00 52.30 ? 105 MET A CB 1 ATOM 488 C CG . MET A 1 66 ? 15.869 -21.777 -1.007 1.00 62.58 ? 105 MET A CG 1 ATOM 489 S SD . MET A 1 66 ? 15.969 -22.876 -2.427 1.00 69.65 ? 105 MET A SD 1 ATOM 490 C CE . MET A 1 66 ? 14.303 -23.498 -2.499 1.00 63.53 ? 105 MET A CE 1 ATOM 491 N N . CYS A 1 67 ? 17.004 -20.104 1.516 1.00 54.75 ? 106 CYS A N 1 ATOM 492 C CA . CYS A 1 67 ? 18.233 -20.495 2.218 1.00 58.67 ? 106 CYS A CA 1 ATOM 493 C C . CYS A 1 67 ? 18.288 -22.014 2.305 1.00 58.13 ? 106 CYS A C 1 ATOM 494 O O . CYS A 1 67 ? 17.248 -22.682 2.400 1.00 53.80 ? 106 CYS A O 1 ATOM 495 C CB . CYS A 1 67 ? 18.250 -19.902 3.622 1.00 58.75 ? 106 CYS A CB 1 ATOM 496 S SG . CYS A 1 67 ? 19.680 -20.247 4.684 1.00 68.90 ? 106 CYS A SG 1 ATOM 497 N N . THR A 1 68 ? 19.497 -22.553 2.235 1.00 60.35 ? 107 THR A N 1 ATOM 498 C CA . THR A 1 68 ? 19.727 -23.971 2.527 1.00 67.18 ? 107 THR A CA 1 ATOM 499 C C . THR A 1 68 ? 21.068 -24.133 3.224 1.00 63.32 ? 107 THR A C 1 ATOM 500 O O . THR A 1 68 ? 21.975 -23.317 3.035 1.00 61.16 ? 107 THR A O 1 ATOM 501 C CB . THR A 1 68 ? 19.641 -24.864 1.278 1.00 67.24 ? 107 THR A CB 1 ATOM 502 O OG1 . THR A 1 68 ? 19.277 -26.188 1.678 1.00 84.15 ? 107 THR A OG1 1 ATOM 503 C CG2 . THR A 1 68 ? 20.952 -24.928 0.583 1.00 67.83 ? 107 THR A CG2 1 ATOM 504 N N . GLU A 1 69 ? 21.172 -25.172 4.048 1.00 68.22 ? 108 GLU A N 1 ATOM 505 C CA . GLU A 1 69 ? 22.388 -25.443 4.818 1.00 66.98 ? 108 GLU A CA 1 ATOM 506 C C . GLU A 1 69 ? 23.602 -25.641 3.915 1.00 60.84 ? 108 GLU A C 1 ATOM 507 O O . GLU A 1 69 ? 24.702 -25.219 4.255 1.00 59.59 ? 108 GLU A O 1 ATOM 508 C CB . GLU A 1 69 ? 22.191 -26.673 5.701 1.00 76.15 ? 108 GLU A CB 1 ATOM 509 C CG . GLU A 1 69 ? 20.863 -26.734 6.453 1.00 83.02 ? 108 GLU A CG 1 ATOM 510 C CD . GLU A 1 69 ? 20.846 -25.926 7.744 1.00 90.05 ? 108 GLU A CD 1 ATOM 511 O OE1 . GLU A 1 69 ? 20.163 -26.361 8.700 1.00 90.42 ? 108 GLU A OE1 1 ATOM 512 O OE2 . GLU A 1 69 ? 21.509 -24.862 7.814 1.00 96.09 ? 108 GLU A OE2 1 ATOM 513 N N . LYS A 1 70 ? 23.391 -26.253 2.754 1.00 62.08 ? 109 LYS A N 1 ATOM 514 C CA . LYS A 1 70 ? 24.486 -26.562 1.833 1.00 65.81 ? 109 LYS A CA 1 ATOM 515 C C . LYS A 1 70 ? 25.056 -25.360 1.071 1.00 63.85 ? 109 LYS A C 1 ATOM 516 O O . LYS A 1 70 ? 26.155 -25.434 0.521 1.00 63.72 ? 109 LYS A O 1 ATOM 517 C CB . LYS A 1 70 ? 24.047 -27.649 0.855 1.00 69.06 ? 109 LYS A CB 1 ATOM 518 C CG . LYS A 1 70 ? 23.498 -28.883 1.553 1.00 75.05 ? 109 LYS A CG 1 ATOM 519 C CD . LYS A 1 70 ? 23.034 -29.928 0.544 1.00 84.01 ? 109 LYS A CD 1 ATOM 520 C CE . LYS A 1 70 ? 22.192 -31.017 1.200 1.00 92.10 ? 109 LYS A CE 1 ATOM 521 N NZ . LYS A 1 70 ? 22.902 -31.712 2.314 1.00 93.36 ? 109 LYS A NZ 1 ATOM 522 N N . ILE A 1 71 ? 24.317 -24.256 1.037 1.00 62.94 ? 110 ILE A N 1 ATOM 523 C CA . ILE A 1 71 ? 24.728 -23.099 0.240 1.00 62.01 ? 110 ILE A CA 1 ATOM 524 C C . ILE A 1 71 ? 24.898 -21.872 1.131 1.00 59.82 ? 110 ILE A C 1 ATOM 525 O O . ILE A 1 71 ? 24.075 -21.641 2.000 1.00 62.75 ? 110 ILE A O 1 ATOM 526 C CB . ILE A 1 71 ? 23.722 -22.844 -0.908 1.00 66.91 ? 110 ILE A CB 1 ATOM 527 C CG1 . ILE A 1 71 ? 23.638 -24.079 -1.825 1.00 67.17 ? 110 ILE A CG1 1 ATOM 528 C CG2 . ILE A 1 71 ? 24.115 -21.618 -1.727 1.00 62.34 ? 110 ILE A CG2 1 ATOM 529 C CD1 . ILE A 1 71 ? 22.319 -24.242 -2.558 1.00 69.06 ? 110 ILE A CD1 1 ATOM 530 N N . ASN A 1 72 ? 25.960 -21.098 0.913 1.00 58.53 ? 111 ASN A N 1 ATOM 531 C CA . ASN A 1 72 ? 26.233 -19.901 1.712 1.00 63.43 ? 111 ASN A CA 1 ATOM 532 C C . ASN A 1 72 ? 25.686 -18.594 1.178 1.00 64.09 ? 111 ASN A C 1 ATOM 533 O O . ASN A 1 72 ? 25.947 -17.533 1.744 1.00 68.93 ? 111 ASN A O 1 ATOM 534 C CB . ASN A 1 72 ? 27.733 -19.724 1.905 1.00 70.66 ? 111 ASN A CB 1 ATOM 535 C CG . ASN A 1 72 ? 28.329 -20.800 2.766 1.00 81.96 ? 111 ASN A CG 1 ATOM 536 O OD1 . ASN A 1 72 ? 27.660 -21.358 3.642 1.00 88.47 ? 111 ASN A OD1 1 ATOM 537 N ND2 . ASN A 1 72 ? 29.599 -21.108 2.521 1.00 88.98 ? 111 ASN A ND2 1 ATOM 538 N N . ILE A 1 73 ? 24.960 -18.654 0.080 1.00 60.68 ? 112 ILE A N 1 ATOM 539 C CA . ILE A 1 73 ? 24.370 -17.454 -0.454 1.00 56.96 ? 112 ILE A CA 1 ATOM 540 C C . ILE A 1 73 ? 22.864 -17.568 -0.559 1.00 53.94 ? 112 ILE A C 1 ATOM 541 O O . ILE A 1 73 ? 22.334 -18.665 -0.763 1.00 50.89 ? 112 ILE A O 1 ATOM 542 C CB . ILE A 1 73 ? 24.958 -17.061 -1.822 1.00 60.81 ? 112 ILE A CB 1 ATOM 543 C CG1 . ILE A 1 73 ? 24.784 -18.186 -2.838 1.00 59.34 ? 112 ILE A CG1 1 ATOM 544 C CG2 . ILE A 1 73 ? 26.412 -16.639 -1.675 1.00 60.03 ? 112 ILE A CG2 1 ATOM 545 C CD1 . ILE A 1 73 ? 24.995 -17.714 -4.263 1.00 61.06 ? 112 ILE A CD1 1 ATOM 546 N N . PRO A 1 74 ? 22.166 -16.425 -0.412 1.00 51.99 ? 113 PRO A N 1 ATOM 547 C CA . PRO A 1 74 ? 20.722 -16.407 -0.627 1.00 49.55 ? 113 PRO A CA 1 ATOM 548 C C . PRO A 1 74 ? 20.413 -16.817 -2.064 1.00 47.60 ? 113 PRO A C 1 ATOM 549 O O . PRO A 1 74 ? 21.093 -16.388 -2.993 1.00 51.20 ? 113 PRO A O 1 ATOM 550 C CB . PRO A 1 74 ? 20.364 -14.931 -0.395 1.00 52.53 ? 113 PRO A CB 1 ATOM 551 C CG . PRO A 1 74 ? 21.633 -14.177 -0.698 1.00 54.06 ? 113 PRO A CG 1 ATOM 552 C CD . PRO A 1 74 ? 22.699 -15.076 -0.128 1.00 51.32 ? 113 PRO A CD 1 ATOM 553 N N . ILE A 1 75 ? 19.428 -17.674 -2.253 1.00 47.89 ? 114 ILE A N 1 ATOM 554 C CA . ILE A 1 75 ? 19.061 -18.070 -3.603 1.00 49.18 ? 114 ILE A CA 1 ATOM 555 C C . ILE A 1 75 ? 17.811 -17.320 -4.053 1.00 49.29 ? 114 ILE A C 1 ATOM 556 O O . ILE A 1 75 ? 16.714 -17.525 -3.523 1.00 45.85 ? 114 ILE A O 1 ATOM 557 C CB . ILE A 1 75 ? 18.864 -19.592 -3.713 1.00 51.60 ? 114 ILE A CB 1 ATOM 558 C CG1 . ILE A 1 75 ? 20.146 -20.329 -3.288 1.00 53.58 ? 114 ILE A CG1 1 ATOM 559 C CG2 . ILE A 1 75 ? 18.484 -19.980 -5.129 1.00 49.44 ? 114 ILE A CG2 1 ATOM 560 C CD1 . ILE A 1 75 ? 21.428 -19.737 -3.864 1.00 57.43 ? 114 ILE A CD1 1 ATOM 561 N N . GLY A 1 76 ? 17.994 -16.451 -5.037 1.00 49.17 ? 115 GLY A N 1 ATOM 562 C CA . GLY A 1 76 ? 16.926 -15.613 -5.536 1.00 46.08 ? 115 GLY A CA 1 ATOM 563 C C . GLY A 1 76 ? 16.414 -16.091 -6.875 1.00 49.58 ? 115 GLY A C 1 ATOM 564 O O . GLY A 1 76 ? 16.678 -17.242 -7.286 1.00 52.72 ? 115 GLY A O 1 ATOM 565 N N . PRO A 1 77 ? 15.673 -15.213 -7.573 1.00 45.99 ? 116 PRO A N 1 ATOM 566 C CA . PRO A 1 77 ? 15.078 -15.504 -8.869 1.00 42.42 ? 116 PRO A CA 1 ATOM 567 C C . PRO A 1 77 ? 16.102 -15.458 -10.019 1.00 41.66 ? 116 PRO A C 1 ATOM 568 O O . PRO A 1 77 ? 17.117 -14.749 -9.951 1.00 38.25 ? 116 PRO A O 1 ATOM 569 C CB . PRO A 1 77 ? 14.068 -14.368 -9.033 1.00 40.33 ? 116 PRO A CB 1 ATOM 570 C CG . PRO A 1 77 ? 14.722 -13.213 -8.351 1.00 41.72 ? 116 PRO A CG 1 ATOM 571 C CD . PRO A 1 77 ? 15.469 -13.799 -7.187 1.00 43.88 ? 116 PRO A CD 1 ATOM 572 N N . CYS A 1 78 ? 15.825 -16.215 -11.066 1.00 44.52 ? 117 CYS A N 1 ATOM 573 C CA . CYS A 1 78 ? 16.566 -16.077 -12.314 1.00 53.07 ? 117 CYS A CA 1 ATOM 574 C C . CYS A 1 78 ? 16.087 -14.859 -13.112 1.00 50.08 ? 117 CYS A C 1 ATOM 575 O O . CYS A 1 78 ? 14.913 -14.469 -13.040 1.00 43.11 ? 117 CYS A O 1 ATOM 576 C CB . CYS A 1 78 ? 16.450 -17.364 -13.133 1.00 59.73 ? 117 CYS A CB 1 ATOM 577 S SG . CYS A 1 78 ? 17.158 -18.837 -12.310 1.00 73.00 ? 117 CYS A SG 1 ATOM 578 N N . GLY A 1 79 ? 17.015 -14.259 -13.851 1.00 50.08 ? 118 GLY A N 1 ATOM 579 C CA . GLY A 1 79 ? 16.734 -13.104 -14.708 1.00 48.82 ? 118 GLY A CA 1 ATOM 580 C C . GLY A 1 79 ? 15.610 -13.357 -15.703 1.00 47.87 ? 118 GLY A C 1 ATOM 581 O O . GLY A 1 79 ? 14.894 -12.442 -16.100 1.00 52.02 ? 118 GLY A O 1 ATOM 582 N N . GLY A 1 80 ? 15.441 -14.610 -16.090 1.00 46.87 ? 119 GLY A N 1 ATOM 583 C CA . GLY A 1 80 ? 14.429 -14.971 -17.063 1.00 45.65 ? 119 GLY A CA 1 ATOM 584 C C . GLY A 1 80 ? 13.036 -14.767 -16.518 1.00 47.03 ? 119 GLY A C 1 ATOM 585 O O . GLY A 1 80 ? 12.178 -14.204 -17.185 1.00 50.22 ? 119 GLY A O 1 ATOM 586 N N . MET A 1 81 ? 12.809 -15.235 -15.301 1.00 47.86 ? 120 MET A N 1 ATOM 587 C CA . MET A 1 81 ? 11.525 -15.041 -14.637 1.00 47.43 ? 120 MET A CA 1 ATOM 588 C C . MET A 1 81 ? 11.255 -13.549 -14.354 1.00 48.53 ? 120 MET A C 1 ATOM 589 O O . MET A 1 81 ? 10.143 -13.076 -14.547 1.00 44.36 ? 120 MET A O 1 ATOM 590 C CB . MET A 1 81 ? 11.472 -15.852 -13.346 1.00 46.96 ? 120 MET A CB 1 ATOM 591 C CG . MET A 1 81 ? 10.317 -15.452 -12.453 1.00 53.99 ? 120 MET A CG 1 ATOM 592 S SD . MET A 1 81 ? 10.430 -16.262 -10.871 1.00 56.62 ? 120 MET A SD 1 ATOM 593 C CE . MET A 1 81 ? 9.052 -17.395 -11.016 1.00 60.36 ? 120 MET A CE 1 ATOM 594 N N . CYS A 1 82 ? 12.288 -12.824 -13.910 1.00 46.86 ? 121 CYS A N 1 ATOM 595 C CA . CYS A 1 82 ? 12.191 -11.390 -13.690 1.00 45.47 ? 121 CYS A CA 1 ATOM 596 C C . CYS A 1 82 ? 11.719 -10.665 -14.936 1.00 45.76 ? 121 CYS A C 1 ATOM 597 O O . CYS A 1 82 ? 10.819 -9.824 -14.858 1.00 44.71 ? 121 CYS A O 1 ATOM 598 C CB . CYS A 1 82 ? 13.519 -10.795 -13.205 1.00 47.53 ? 121 CYS A CB 1 ATOM 599 S SG . CYS A 1 82 ? 13.421 -9.004 -12.899 1.00 47.72 ? 121 CYS A SG 1 ATOM 600 N N . LEU A 1 83 ? 12.316 -10.991 -16.082 1.00 46.99 ? 122 LEU A N 1 ATOM 601 C CA . LEU A 1 83 ? 11.954 -10.365 -17.369 1.00 46.15 ? 122 LEU A CA 1 ATOM 602 C C . LEU A 1 83 ? 10.528 -10.694 -17.757 1.00 42.91 ? 122 LEU A C 1 ATOM 603 O O . LEU A 1 83 ? 9.789 -9.837 -18.226 1.00 40.21 ? 122 LEU A O 1 ATOM 604 C CB . LEU A 1 83 ? 12.893 -10.814 -18.487 1.00 48.76 ? 122 LEU A CB 1 ATOM 605 C CG . LEU A 1 83 ? 14.292 -10.199 -18.501 1.00 52.49 ? 122 LEU A CG 1 ATOM 606 C CD1 . LEU A 1 83 ? 15.194 -10.971 -19.451 1.00 50.90 ? 122 LEU A CD1 1 ATOM 607 C CD2 . LEU A 1 83 ? 14.234 -8.733 -18.882 1.00 51.33 ? 122 LEU A CD2 1 ATOM 608 N N . SER A 1 84 ? 10.148 -11.946 -17.555 1.00 43.15 ? 123 SER A N 1 ATOM 609 C CA . SER A 1 84 ? 8.788 -12.375 -17.802 1.00 42.83 ? 123 SER A CA 1 ATOM 610 C C . SER A 1 84 ? 7.790 -11.595 -16.940 1.00 46.13 ? 123 SER A C 1 ATOM 611 O O . SER A 1 84 ? 6.757 -11.146 -17.423 1.00 50.46 ? 123 SER A O 1 ATOM 612 C CB . SER A 1 84 ? 8.691 -13.865 -17.530 1.00 44.55 ? 123 SER A CB 1 ATOM 613 O OG . SER A 1 84 ? 7.377 -14.331 -17.708 1.00 55.59 ? 123 SER A OG 1 ATOM 614 N N . VAL A 1 85 ? 8.098 -11.447 -15.651 1.00 45.60 ? 124 VAL A N 1 ATOM 615 C CA . VAL A 1 85 ? 7.180 -10.808 -14.704 1.00 40.12 ? 124 VAL A CA 1 ATOM 616 C C . VAL A 1 85 ? 7.113 -9.312 -14.998 1.00 38.32 ? 124 VAL A C 1 ATOM 617 O O . VAL A 1 85 ? 6.037 -8.732 -15.021 1.00 35.38 ? 124 VAL A O 1 ATOM 618 C CB . VAL A 1 85 ? 7.606 -11.083 -13.240 1.00 40.50 ? 124 VAL A CB 1 ATOM 619 C CG1 . VAL A 1 85 ? 6.862 -10.184 -12.273 1.00 36.50 ? 124 VAL A CG1 1 ATOM 620 C CG2 . VAL A 1 85 ? 7.346 -12.531 -12.885 1.00 38.07 ? 124 VAL A CG2 1 ATOM 621 N N . LYS A 1 86 ? 8.273 -8.702 -15.242 1.00 37.46 ? 125 LYS A N 1 ATOM 622 C CA . LYS A 1 86 ? 8.333 -7.301 -15.629 1.00 39.87 ? 125 LYS A CA 1 ATOM 623 C C . LYS A 1 86 ? 7.487 -7.005 -16.870 1.00 45.17 ? 125 LYS A C 1 ATOM 624 O O . LYS A 1 86 ? 6.760 -6.009 -16.901 1.00 47.47 ? 125 LYS A O 1 ATOM 625 C CB . LYS A 1 86 ? 9.769 -6.866 -15.885 1.00 34.71 ? 125 LYS A CB 1 ATOM 626 C CG . LYS A 1 86 ? 9.903 -5.378 -16.081 1.00 35.87 ? 125 LYS A CG 1 ATOM 627 C CD . LYS A 1 86 ? 11.357 -4.963 -16.007 1.00 38.69 ? 125 LYS A CD 1 ATOM 628 C CE . LYS A 1 86 ? 11.827 -4.366 -17.296 1.00 41.75 ? 125 LYS A CE 1 ATOM 629 N NZ . LYS A 1 86 ? 11.949 -2.901 -17.117 1.00 48.91 ? 125 LYS A NZ 1 ATOM 630 N N . ARG A 1 87 ? 7.590 -7.865 -17.883 1.00 45.52 ? 126 ARG A N 1 ATOM 631 C CA . ARG A 1 87 ? 6.857 -7.698 -19.141 1.00 47.43 ? 126 ARG A CA 1 ATOM 632 C C . ARG A 1 87 ? 5.368 -7.589 -18.885 1.00 41.92 ? 126 ARG A C 1 ATOM 633 O O . ARG A 1 87 ? 4.678 -6.791 -19.509 1.00 36.93 ? 126 ARG A O 1 ATOM 634 C CB . ARG A 1 87 ? 7.113 -8.898 -20.054 1.00 51.78 ? 126 ARG A CB 1 ATOM 635 C CG . ARG A 1 87 ? 6.855 -8.655 -21.533 1.00 63.84 ? 126 ARG A CG 1 ATOM 636 C CD . ARG A 1 87 ? 6.206 -9.867 -22.202 1.00 70.54 ? 126 ARG A CD 1 ATOM 637 N NE . ARG A 1 87 ? 6.981 -11.071 -21.934 1.00 83.14 ? 126 ARG A NE 1 ATOM 638 C CZ . ARG A 1 87 ? 6.482 -12.299 -21.872 1.00 89.57 ? 126 ARG A CZ 1 ATOM 639 N NH1 . ARG A 1 87 ? 5.187 -12.506 -22.080 1.00 90.80 ? 126 ARG A NH1 1 ATOM 640 N NH2 . ARG A 1 87 ? 7.291 -13.321 -21.598 1.00 88.58 ? 126 ARG A NH2 1 ATOM 641 N N . ARG A 1 88 ? 4.881 -8.417 -17.978 1.00 39.03 ? 127 ARG A N 1 ATOM 642 C CA . ARG A 1 88 ? 3.458 -8.475 -17.705 1.00 45.06 ? 127 ARG A CA 1 ATOM 643 C C . ARG A 1 88 ? 2.965 -7.424 -16.725 1.00 42.97 ? 127 ARG A C 1 ATOM 644 O O . ARG A 1 88 ? 1.860 -6.931 -16.870 1.00 46.48 ? 127 ARG A O 1 ATOM 645 C CB . ARG A 1 88 ? 3.068 -9.875 -17.230 1.00 46.25 ? 127 ARG A CB 1 ATOM 646 C CG . ARG A 1 88 ? 3.336 -10.930 -18.289 1.00 56.83 ? 127 ARG A CG 1 ATOM 647 C CD . ARG A 1 88 ? 3.214 -12.348 -17.756 1.00 72.22 ? 127 ARG A CD 1 ATOM 648 N NE . ARG A 1 88 ? 2.554 -13.245 -18.707 1.00 81.79 ? 127 ARG A NE 1 ATOM 649 C CZ . ARG A 1 88 ? 2.453 -13.018 -20.015 1.00 89.28 ? 127 ARG A CZ 1 ATOM 650 N NH1 . ARG A 1 88 ? 2.989 -11.928 -20.557 1.00 101.44 ? 127 ARG A NH1 1 ATOM 651 N NH2 . ARG A 1 88 ? 1.819 -13.884 -20.788 1.00 92.27 ? 127 ARG A NH2 1 ATOM 652 N N . CYS A 1 89 ? 3.779 -7.115 -15.715 1.00 41.19 ? 128 CYS A N 1 ATOM 653 C CA . CYS A 1 89 ? 3.382 -6.265 -14.593 1.00 38.72 ? 128 CYS A CA 1 ATOM 654 C C . CYS A 1 89 ? 3.766 -4.788 -14.740 1.00 39.73 ? 128 CYS A C 1 ATOM 655 O O . CYS A 1 89 ? 3.001 -3.901 -14.312 1.00 36.82 ? 128 CYS A O 1 ATOM 656 C CB . CYS A 1 89 ? 3.830 -6.890 -13.260 1.00 40.39 ? 128 CYS A CB 1 ATOM 657 S SG . CYS A 1 89 ? 2.862 -8.401 -12.890 1.00 52.78 ? 128 CYS A SG 1 ATOM 658 N N . GLU A 1 90 ? 4.902 -4.491 -15.374 1.00 37.58 ? 129 GLU A N 1 ATOM 659 C CA . GLU A 1 90 ? 5.261 -3.077 -15.590 1.00 37.04 ? 129 GLU A CA 1 ATOM 660 C C . GLU A 1 90 ? 4.174 -2.240 -16.319 1.00 36.98 ? 129 GLU A C 1 ATOM 661 O O . GLU A 1 90 ? 3.969 -1.066 -15.987 1.00 38.58 ? 129 GLU A O 1 ATOM 662 C CB . GLU A 1 90 ? 6.611 -2.920 -16.292 1.00 37.02 ? 129 GLU A CB 1 ATOM 663 C CG . GLU A 1 90 ? 7.080 -1.479 -16.250 1.00 45.53 ? 129 GLU A CG 1 ATOM 664 C CD . GLU A 1 90 ? 8.400 -1.204 -16.949 1.00 56.01 ? 129 GLU A CD 1 ATOM 665 O OE1 . GLU A 1 90 ? 9.090 -0.242 -16.514 1.00 56.20 ? 129 GLU A OE1 1 ATOM 666 O OE2 . GLU A 1 90 ? 8.738 -1.924 -17.916 1.00 56.84 ? 129 GLU A OE2 1 ATOM 667 N N . PRO A 1 91 ? 3.509 -2.815 -17.344 1.00 37.71 ? 130 PRO A N 1 ATOM 668 C CA . PRO A 1 91 ? 2.441 -2.061 -17.973 1.00 34.35 ? 130 PRO A CA 1 ATOM 669 C C . PRO A 1 91 ? 1.409 -1.581 -16.968 1.00 33.01 ? 130 PRO A C 1 ATOM 670 O O . PRO A 1 91 ? 0.905 -0.474 -17.103 1.00 30.75 ? 130 PRO A O 1 ATOM 671 C CB . PRO A 1 91 ? 1.822 -3.084 -18.943 1.00 38.28 ? 130 PRO A CB 1 ATOM 672 C CG . PRO A 1 91 ? 2.980 -3.962 -19.340 1.00 37.24 ? 130 PRO A CG 1 ATOM 673 C CD . PRO A 1 91 ? 3.823 -4.055 -18.098 1.00 38.72 ? 130 PRO A CD 1 ATOM 674 N N . VAL A 1 92 ? 1.117 -2.396 -15.955 1.00 34.01 ? 131 VAL A N 1 ATOM 675 C CA . VAL A 1 92 ? 0.108 -2.035 -14.949 1.00 34.96 ? 131 VAL A CA 1 ATOM 676 C C . VAL A 1 92 ? 0.612 -0.902 -14.072 1.00 35.55 ? 131 VAL A C 1 ATOM 677 O O . VAL A 1 92 ? -0.126 0.046 -13.785 1.00 36.89 ? 131 VAL A O 1 ATOM 678 C CB . VAL A 1 92 ? -0.309 -3.228 -14.064 1.00 33.40 ? 131 VAL A CB 1 ATOM 679 C CG1 . VAL A 1 92 ? -1.392 -2.794 -13.099 1.00 34.93 ? 131 VAL A CG1 1 ATOM 680 C CG2 . VAL A 1 92 ? -0.811 -4.382 -14.907 1.00 32.09 ? 131 VAL A CG2 1 ATOM 681 N N . LEU A 1 93 ? 1.873 -0.989 -13.662 1.00 33.89 ? 132 LEU A N 1 ATOM 682 C CA . LEU A 1 93 ? 2.504 0.102 -12.928 1.00 34.07 ? 132 LEU A CA 1 ATOM 683 C C . LEU A 1 93 ? 2.455 1.399 -13.697 1.00 33.36 ? 132 LEU A C 1 ATOM 684 O O . LEU A 1 93 ? 2.142 2.447 -13.136 1.00 34.62 ? 132 LEU A O 1 ATOM 685 C CB . LEU A 1 93 ? 3.954 -0.229 -12.558 1.00 33.40 ? 132 LEU A CB 1 ATOM 686 C CG . LEU A 1 93 ? 4.068 -1.317 -11.500 1.00 34.63 ? 132 LEU A CG 1 ATOM 687 C CD1 . LEU A 1 93 ? 5.486 -1.850 -11.464 1.00 33.30 ? 132 LEU A CD1 1 ATOM 688 C CD2 . LEU A 1 93 ? 3.578 -0.862 -10.119 1.00 32.84 ? 132 LEU A CD2 1 ATOM 689 N N . LYS A 1 94 ? 2.773 1.330 -14.985 1.00 34.75 ? 133 LYS A N 1 ATOM 690 C CA . LYS A 1 94 ? 2.891 2.535 -15.829 1.00 33.57 ? 133 LYS A CA 1 ATOM 691 C C . LYS A 1 94 ? 1.547 3.226 -16.110 1.00 36.71 ? 133 LYS A C 1 ATOM 692 O O . LYS A 1 94 ? 1.478 4.468 -16.152 1.00 36.18 ? 133 LYS A O 1 ATOM 693 C CB . LYS A 1 94 ? 3.607 2.208 -17.129 1.00 35.48 ? 133 LYS A CB 1 ATOM 694 C CG . LYS A 1 94 ? 5.084 1.875 -16.923 1.00 38.84 ? 133 LYS A CG 1 ATOM 695 C CD . LYS A 1 94 ? 5.907 2.119 -18.169 1.00 43.67 ? 133 LYS A CD 1 ATOM 696 C CE . LYS A 1 94 ? 6.075 3.596 -18.457 1.00 46.87 ? 133 LYS A CE 1 ATOM 697 N NZ . LYS A 1 94 ? 7.166 4.173 -17.624 1.00 55.18 ? 133 LYS A NZ 1 ATOM 698 N N . GLU A 1 95 ? 0.481 2.442 -16.281 1.00 33.14 ? 134 GLU A N 1 ATOM 699 C CA . GLU A 1 95 ? -0.815 3.034 -16.571 1.00 34.32 ? 134 GLU A CA 1 ATOM 700 C C . GLU A 1 95 ? -1.271 3.822 -15.349 1.00 34.42 ? 134 GLU A C 1 ATOM 701 O O . GLU A 1 95 ? -2.101 4.732 -15.451 1.00 37.04 ? 134 GLU A O 1 ATOM 702 C CB . GLU A 1 95 ? -1.864 1.973 -17.006 1.00 35.22 ? 134 GLU A CB 1 ATOM 703 C CG . GLU A 1 95 ? -2.207 0.952 -15.939 1.00 39.23 ? 134 GLU A CG 1 ATOM 704 C CD . GLU A 1 95 ? -3.247 -0.084 -16.384 1.00 45.32 ? 134 GLU A CD 1 ATOM 705 O OE1 . GLU A 1 95 ? -3.625 -0.952 -15.559 1.00 41.89 ? 134 GLU A OE1 1 ATOM 706 O OE2 . GLU A 1 95 ? -3.691 -0.051 -17.552 1.00 45.86 ? 134 GLU A OE2 1 ATOM 707 N N . PHE A 1 96 ? -0.724 3.480 -14.187 1.00 34.32 ? 135 PHE A N 1 ATOM 708 C CA . PHE A 1 96 ? -1.047 4.216 -12.973 1.00 33.14 ? 135 PHE A CA 1 ATOM 709 C C . PHE A 1 96 ? 0.017 5.223 -12.627 1.00 32.57 ? 135 PHE A C 1 ATOM 710 O O . PHE A 1 96 ? -0.028 5.810 -11.572 1.00 35.12 ? 135 PHE A O 1 ATOM 711 C CB . PHE A 1 96 ? -1.323 3.280 -11.806 1.00 33.63 ? 135 PHE A CB 1 ATOM 712 C CG . PHE A 1 96 ? -2.655 2.626 -11.888 1.00 36.75 ? 135 PHE A CG 1 ATOM 713 C CD1 . PHE A 1 96 ? -3.835 3.342 -11.576 1.00 38.82 ? 135 PHE A CD1 1 ATOM 714 C CD2 . PHE A 1 96 ? -2.757 1.314 -12.286 1.00 35.13 ? 135 PHE A CD2 1 ATOM 715 C CE1 . PHE A 1 96 ? -5.085 2.730 -11.663 1.00 39.04 ? 135 PHE A CE1 1 ATOM 716 C CE2 . PHE A 1 96 ? -3.991 0.696 -12.377 1.00 37.16 ? 135 PHE A CE2 1 ATOM 717 C CZ . PHE A 1 96 ? -5.159 1.403 -12.070 1.00 41.78 ? 135 PHE A CZ 1 ATOM 718 N N . GLY A 1 97 ? 0.950 5.456 -13.538 1.00 33.22 ? 136 GLY A N 1 ATOM 719 C CA . GLY A 1 97 ? 1.962 6.471 -13.309 1.00 32.88 ? 136 GLY A CA 1 ATOM 720 C C . GLY A 1 97 ? 3.163 6.018 -12.493 1.00 33.78 ? 136 GLY A C 1 ATOM 721 O O . GLY A 1 97 ? 3.970 6.851 -12.095 1.00 34.95 ? 136 GLY A O 1 ATOM 722 N N . PHE A 1 98 ? 3.301 4.718 -12.242 1.00 32.89 ? 137 PHE A N 1 ATOM 723 C CA . PHE A 1 98 ? 4.478 4.209 -11.545 1.00 33.02 ? 137 PHE A CA 1 ATOM 724 C C . PHE A 1 98 ? 5.392 3.529 -12.541 1.00 33.66 ? 137 PHE A C 1 ATOM 725 O O . PHE A 1 98 ? 5.115 3.522 -13.727 1.00 36.51 ? 137 PHE A O 1 ATOM 726 C CB . PHE A 1 98 ? 4.102 3.242 -10.424 1.00 33.09 ? 137 PHE A CB 1 ATOM 727 C CG . PHE A 1 98 ? 3.152 3.825 -9.407 1.00 36.70 ? 137 PHE A CG 1 ATOM 728 C CD1 . PHE A 1 98 ? 3.606 4.726 -8.436 1.00 38.87 ? 137 PHE A CD1 1 ATOM 729 C CD2 . PHE A 1 98 ? 1.803 3.466 -9.400 1.00 37.46 ? 137 PHE A CD2 1 ATOM 730 C CE1 . PHE A 1 98 ? 2.725 5.254 -7.490 1.00 40.00 ? 137 PHE A CE1 1 ATOM 731 C CE2 . PHE A 1 98 ? 0.922 3.998 -8.453 1.00 39.05 ? 137 PHE A CE2 1 ATOM 732 C CZ . PHE A 1 98 ? 1.386 4.882 -7.492 1.00 37.52 ? 137 PHE A CZ 1 ATOM 733 N N . ALA A 1 99 ? 6.479 2.948 -12.049 1.00 32.04 ? 138 ALA A N 1 ATOM 734 C CA . ALA A 1 99 ? 7.441 2.259 -12.892 1.00 30.96 ? 138 ALA A CA 1 ATOM 735 C C . ALA A 1 99 ? 7.976 0.995 -12.201 1.00 29.77 ? 138 ALA A C 1 ATOM 736 O O . ALA A 1 99 ? 7.725 0.763 -11.025 1.00 31.40 ? 138 ALA A O 1 ATOM 737 C CB . ALA A 1 99 ? 8.583 3.210 -13.247 1.00 30.65 ? 138 ALA A CB 1 ATOM 738 N N . TRP A 1 100 ? 8.649 0.143 -12.960 1.00 31.13 ? 139 TRP A N 1 ATOM 739 C CA . TRP A 1 100 ? 9.290 -1.039 -12.409 1.00 30.56 ? 139 TRP A CA 1 ATOM 740 C C . TRP A 1 100 ? 10.473 -0.532 -11.570 1.00 29.84 ? 139 TRP A C 1 ATOM 741 O O . TRP A 1 100 ? 11.358 0.167 -12.061 1.00 30.87 ? 139 TRP A O 1 ATOM 742 C CB . TRP A 1 100 ? 9.757 -1.944 -13.542 1.00 29.56 ? 139 TRP A CB 1 ATOM 743 C CG . TRP A 1 100 ? 10.285 -3.257 -13.092 1.00 30.79 ? 139 TRP A CG 1 ATOM 744 C CD1 . TRP A 1 100 ? 11.601 -3.647 -13.041 1.00 29.88 ? 139 TRP A CD1 1 ATOM 745 C CD2 . TRP A 1 100 ? 9.516 -4.383 -12.643 1.00 29.65 ? 139 TRP A CD2 1 ATOM 746 N NE1 . TRP A 1 100 ? 11.691 -4.949 -12.595 1.00 30.21 ? 139 TRP A NE1 1 ATOM 747 C CE2 . TRP A 1 100 ? 10.431 -5.423 -12.339 1.00 30.49 ? 139 TRP A CE2 1 ATOM 748 C CE3 . TRP A 1 100 ? 8.149 -4.608 -12.459 1.00 30.34 ? 139 TRP A CE3 1 ATOM 749 C CZ2 . TRP A 1 100 ? 10.018 -6.679 -11.869 1.00 30.82 ? 139 TRP A CZ2 1 ATOM 750 C CZ3 . TRP A 1 100 ? 7.730 -5.850 -11.985 1.00 30.66 ? 139 TRP A CZ3 1 ATOM 751 C CH2 . TRP A 1 100 ? 8.660 -6.872 -11.697 1.00 31.78 ? 139 TRP A CH2 1 ATOM 752 N N . PRO A 1 101 ? 10.478 -0.851 -10.284 1.00 29.15 ? 140 PRO A N 1 ATOM 753 C CA . PRO A 1 101 ? 11.502 -0.221 -9.439 1.00 28.93 ? 140 PRO A CA 1 ATOM 754 C C . PRO A 1 101 ? 12.934 -0.708 -9.737 1.00 34.16 ? 140 PRO A C 1 ATOM 755 O O . PRO A 1 101 ? 13.151 -1.854 -10.166 1.00 32.40 ? 140 PRO A O 1 ATOM 756 C CB . PRO A 1 101 ? 11.078 -0.575 -8.026 1.00 28.05 ? 140 PRO A CB 1 ATOM 757 C CG . PRO A 1 101 ? 9.961 -1.573 -8.151 1.00 27.56 ? 140 PRO A CG 1 ATOM 758 C CD . PRO A 1 101 ? 9.480 -1.650 -9.554 1.00 26.25 ? 140 PRO A CD 1 ATOM 759 N N . GLU A 1 102 ? 13.903 0.181 -9.523 1.00 36.28 ? 141 GLU A N 1 ATOM 760 C CA . GLU A 1 102 ? 15.307 -0.148 -9.698 1.00 41.09 ? 141 GLU A CA 1 ATOM 761 C C . GLU A 1 102 ? 15.730 -1.350 -8.849 1.00 39.30 ? 141 GLU A C 1 ATOM 762 O O . GLU A 1 102 ? 16.512 -2.198 -9.272 1.00 41.11 ? 141 GLU A O 1 ATOM 763 C CB . GLU A 1 102 ? 16.159 1.070 -9.358 1.00 49.67 ? 141 GLU A CB 1 ATOM 764 C CG . GLU A 1 102 ? 17.573 1.000 -9.908 1.00 74.89 ? 141 GLU A CG 1 ATOM 765 C CD . GLU A 1 102 ? 17.607 0.605 -11.383 1.00 84.31 ? 141 GLU A CD 1 ATOM 766 O OE1 . GLU A 1 102 ? 16.842 1.209 -12.187 1.00 84.88 ? 141 GLU A OE1 1 ATOM 767 O OE2 . GLU A 1 102 ? 18.400 -0.316 -11.733 1.00 84.04 ? 141 GLU A OE2 1 ATOM 768 N N . SER A 1 103 ? 15.195 -1.441 -7.644 1.00 36.70 ? 142 SER A N 1 ATOM 769 C CA . SER A 1 103 ? 15.525 -2.537 -6.779 1.00 36.44 ? 142 SER A CA 1 ATOM 770 C C . SER A 1 103 ? 15.113 -3.904 -7.361 1.00 37.34 ? 142 SER A C 1 ATOM 771 O O . SER A 1 103 ? 15.583 -4.916 -6.887 1.00 41.15 ? 142 SER A O 1 ATOM 772 C CB . SER A 1 103 ? 14.859 -2.311 -5.437 1.00 37.92 ? 142 SER A CB 1 ATOM 773 O OG . SER A 1 103 ? 13.474 -2.550 -5.557 1.00 42.58 ? 142 SER A OG 1 ATOM 774 N N . LEU A 1 104 ? 14.214 -3.919 -8.353 1.00 33.82 ? 143 LEU A N 1 ATOM 775 C CA . LEU A 1 104 ? 13.815 -5.135 -9.094 1.00 31.76 ? 143 LEU A CA 1 ATOM 776 C C . LEU A 1 104 ? 14.356 -5.194 -10.517 1.00 32.63 ? 143 LEU A C 1 ATOM 777 O O . LEU A 1 104 ? 13.885 -6.014 -11.322 1.00 30.90 ? 143 LEU A O 1 ATOM 778 C CB . LEU A 1 104 ? 12.291 -5.287 -9.164 1.00 30.55 ? 143 LEU A CB 1 ATOM 779 C CG . LEU A 1 104 ? 11.538 -5.275 -7.820 1.00 32.02 ? 143 LEU A CG 1 ATOM 780 C CD1 . LEU A 1 104 ? 10.031 -5.477 -8.001 1.00 29.42 ? 143 LEU A CD1 1 ATOM 781 C CD2 . LEU A 1 104 ? 12.110 -6.288 -6.843 1.00 29.31 ? 143 LEU A CD2 1 ATOM 782 N N . ASN A 1 105 ? 15.322 -4.332 -10.838 1.00 33.90 ? 144 ASN A N 1 ATOM 783 C CA . ASN A 1 105 ? 16.016 -4.346 -12.114 1.00 38.73 ? 144 ASN A CA 1 ATOM 784 C C . ASN A 1 105 ? 16.493 -5.743 -12.437 1.00 44.25 ? 144 ASN A C 1 ATOM 785 O O . ASN A 1 105 ? 17.267 -6.310 -11.671 1.00 45.12 ? 144 ASN A O 1 ATOM 786 C CB . ASN A 1 105 ? 17.248 -3.433 -12.036 1.00 43.86 ? 144 ASN A CB 1 ATOM 787 C CG . ASN A 1 105 ? 18.045 -3.389 -13.326 1.00 47.75 ? 144 ASN A CG 1 ATOM 788 O OD1 . ASN A 1 105 ? 18.051 -4.331 -14.127 1.00 49.45 ? 144 ASN A OD1 1 ATOM 789 N ND2 . ASN A 1 105 ? 18.722 -2.265 -13.522 1.00 59.36 ? 144 ASN A ND2 1 ATOM 790 N N . CYS A 1 106 ? 16.095 -6.259 -13.599 1.00 47.20 ? 145 CYS A N 1 ATOM 791 C CA . CYS A 1 106 ? 16.324 -7.653 -13.951 1.00 51.79 ? 145 CYS A CA 1 ATOM 792 C C . CYS A 1 106 ? 17.795 -7.993 -14.176 1.00 52.35 ? 145 CYS A C 1 ATOM 793 O O . CYS A 1 106 ? 18.183 -9.158 -14.182 1.00 50.61 ? 145 CYS A O 1 ATOM 794 C CB . CYS A 1 106 ? 15.468 -8.047 -15.151 1.00 56.90 ? 145 CYS A CB 1 ATOM 795 S SG . CYS A 1 106 ? 13.687 -8.120 -14.783 1.00 67.82 ? 145 CYS A SG 1 ATOM 796 N N . SER A 1 107 ? 18.618 -6.966 -14.296 1.00 53.28 ? 146 SER A N 1 ATOM 797 C CA . SER A 1 107 ? 20.050 -7.156 -14.448 1.00 55.95 ? 146 SER A CA 1 ATOM 798 C C . SER A 1 107 ? 20.729 -7.700 -13.194 1.00 59.83 ? 146 SER A C 1 ATOM 799 O O . SER A 1 107 ? 21.752 -8.367 -13.292 1.00 67.93 ? 146 SER A O 1 ATOM 800 C CB . SER A 1 107 ? 20.716 -5.857 -14.886 1.00 56.91 ? 146 SER A CB 1 ATOM 801 O OG . SER A 1 107 ? 20.531 -5.682 -16.284 1.00 67.43 ? 146 SER A OG 1 ATOM 802 N N . LYS A 1 108 ? 20.169 -7.431 -12.018 1.00 59.62 ? 147 LYS A N 1 ATOM 803 C CA . LYS A 1 108 ? 20.828 -7.839 -10.783 1.00 57.49 ? 147 LYS A CA 1 ATOM 804 C C . LYS A 1 108 ? 20.624 -9.332 -10.463 1.00 57.11 ? 147 LYS A C 1 ATOM 805 O O . LYS A 1 108 ? 21.123 -9.843 -9.464 1.00 56.82 ? 147 LYS A O 1 ATOM 806 C CB . LYS A 1 108 ? 20.425 -6.915 -9.623 1.00 58.33 ? 147 LYS A CB 1 ATOM 807 C CG . LYS A 1 108 ? 18.946 -6.903 -9.286 1.00 61.02 ? 147 LYS A CG 1 ATOM 808 C CD . LYS A 1 108 ? 18.583 -5.761 -8.324 1.00 56.79 ? 147 LYS A CD 1 ATOM 809 C CE . LYS A 1 108 ? 18.799 -6.207 -6.888 1.00 56.44 ? 147 LYS A CE 1 ATOM 810 N NZ . LYS A 1 108 ? 18.116 -5.344 -5.885 1.00 52.34 ? 147 LYS A NZ 1 ATOM 811 N N . PHE A 1 109 ? 19.896 -10.034 -11.318 1.00 52.34 ? 148 PHE A N 1 ATOM 812 C CA . PHE A 1 109 ? 19.712 -11.457 -11.132 1.00 52.50 ? 148 PHE A CA 1 ATOM 813 C C . PHE A 1 109 ? 20.415 -12.243 -12.235 1.00 56.51 ? 148 PHE A C 1 ATOM 814 O O . PHE A 1 109 ? 20.528 -11.759 -13.371 1.00 60.18 ? 148 PHE A O 1 ATOM 815 C CB . PHE A 1 109 ? 18.225 -11.813 -11.091 1.00 53.37 ? 148 PHE A CB 1 ATOM 816 C CG . PHE A 1 109 ? 17.416 -10.915 -10.205 1.00 54.28 ? 148 PHE A CG 1 ATOM 817 C CD1 . PHE A 1 109 ? 17.559 -10.963 -8.815 1.00 53.93 ? 148 PHE A CD1 1 ATOM 818 C CD2 . PHE A 1 109 ? 16.531 -9.987 -10.759 1.00 51.17 ? 148 PHE A CD2 1 ATOM 819 C CE1 . PHE A 1 109 ? 16.813 -10.111 -8.002 1.00 56.86 ? 148 PHE A CE1 1 ATOM 820 C CE2 . PHE A 1 109 ? 15.785 -9.143 -9.948 1.00 47.72 ? 148 PHE A CE2 1 ATOM 821 C CZ . PHE A 1 109 ? 15.916 -9.211 -8.572 1.00 49.21 ? 148 PHE A CZ 1 ATOM 822 N N . PRO A 1 110 ? 20.903 -13.450 -11.905 1.00 54.90 ? 149 PRO A N 1 ATOM 823 C CA . PRO A 1 110 ? 21.609 -14.265 -12.892 1.00 58.22 ? 149 PRO A CA 1 ATOM 824 C C . PRO A 1 110 ? 20.672 -14.684 -14.017 1.00 61.08 ? 149 PRO A C 1 ATOM 825 O O . PRO A 1 110 ? 19.493 -14.963 -13.762 1.00 59.07 ? 149 PRO A O 1 ATOM 826 C CB . PRO A 1 110 ? 22.083 -15.489 -12.084 1.00 55.50 ? 149 PRO A CB 1 ATOM 827 C CG . PRO A 1 110 ? 21.220 -15.504 -10.872 1.00 61.33 ? 149 PRO A CG 1 ATOM 828 C CD . PRO A 1 110 ? 20.915 -14.069 -10.567 1.00 56.37 ? 149 PRO A CD 1 ATOM 829 N N . PRO A 1 111 ? 21.192 -14.724 -15.261 1.00 66.20 ? 150 PRO A N 1 ATOM 830 C CA . PRO A 1 111 ? 20.351 -14.959 -16.433 1.00 66.89 ? 150 PRO A CA 1 ATOM 831 C C . PRO A 1 111 ? 19.650 -16.309 -16.457 1.00 66.57 ? 150 PRO A C 1 ATOM 832 O O . PRO A 1 111 ? 18.507 -16.376 -16.912 1.00 67.64 ? 150 PRO A O 1 ATOM 833 C CB . PRO A 1 111 ? 21.330 -14.823 -17.604 1.00 70.22 ? 150 PRO A CB 1 ATOM 834 C CG . PRO A 1 111 ? 22.671 -15.098 -17.012 1.00 71.14 ? 150 PRO A CG 1 ATOM 835 C CD . PRO A 1 111 ? 22.589 -14.474 -15.650 1.00 65.65 ? 150 PRO A CD 1 ATOM 836 N N . GLN A 1 112 ? 20.297 -17.359 -15.964 1.00 63.72 ? 151 GLN A N 1 ATOM 837 C CA . GLN A 1 112 ? 19.669 -18.674 -15.960 1.00 68.21 ? 151 GLN A CA 1 ATOM 838 C C . GLN A 1 112 ? 20.257 -19.497 -14.834 1.00 68.65 ? 151 GLN A C 1 ATOM 839 O O . GLN A 1 112 ? 21.291 -19.122 -14.272 1.00 62.57 ? 151 GLN A O 1 ATOM 840 C CB . GLN A 1 112 ? 19.918 -19.381 -17.290 1.00 78.05 ? 151 GLN A CB 1 ATOM 841 C CG . GLN A 1 112 ? 21.365 -19.816 -17.449 1.00 79.51 ? 151 GLN A CG 1 ATOM 842 C CD . GLN A 1 112 ? 22.249 -18.742 -18.077 1.00 84.91 ? 151 GLN A CD 1 ATOM 843 O OE1 . GLN A 1 112 ? 23.411 -18.581 -17.704 1.00 88.18 ? 151 GLN A OE1 1 ATOM 844 N NE2 . GLN A 1 112 ? 21.701 -18.011 -19.044 1.00 83.78 ? 151 GLN A NE2 1 ATOM 845 N N . ASN A 1 113 ? 19.628 -20.621 -14.500 1.00 70.44 ? 152 ASN A N 1 ATOM 846 C CA . ASN A 1 113 ? 20.216 -21.448 -13.467 1.00 79.34 ? 152 ASN A CA 1 ATOM 847 C C . ASN A 1 113 ? 21.343 -22.225 -14.107 1.00 85.94 ? 152 ASN A C 1 ATOM 848 O O . ASN A 1 113 ? 21.129 -23.225 -14.785 1.00 79.77 ? 152 ASN A O 1 ATOM 849 C CB . ASN A 1 113 ? 19.216 -22.369 -12.769 1.00 76.86 ? 152 ASN A CB 1 ATOM 850 C CG . ASN A 1 113 ? 19.765 -22.935 -11.457 1.00 73.11 ? 152 ASN A CG 1 ATOM 851 O OD1 . ASN A 1 113 ? 20.724 -22.404 -10.881 1.00 72.46 ? 152 ASN A OD1 1 ATOM 852 N ND2 . ASN A 1 113 ? 19.172 -24.020 -10.987 1.00 70.07 ? 152 ASN A ND2 1 ATOM 853 N N . ASP A 1 114 ? 22.542 -21.694 -13.913 1.00 99.64 ? 153 ASP A N 1 ATOM 854 C CA . ASP A 1 114 ? 23.761 -22.214 -14.501 1.00 101.65 ? 153 ASP A CA 1 ATOM 855 C C . ASP A 1 114 ? 24.350 -23.254 -13.578 1.00 110.17 ? 153 ASP A C 1 ATOM 856 O O . ASP A 1 114 ? 23.720 -23.656 -12.599 1.00 111.71 ? 153 ASP A O 1 ATOM 857 C CB . ASP A 1 114 ? 24.766 -21.068 -14.704 1.00 99.87 ? 153 ASP A CB 1 ATOM 858 C CG . ASP A 1 114 ? 25.025 -20.769 -16.156 1.00 102.75 ? 153 ASP A CG 1 ATOM 859 O OD1 . ASP A 1 114 ? 24.316 -21.331 -17.024 1.00 96.09 ? 153 ASP A OD1 1 ATOM 860 O OD2 . ASP A 1 114 ? 25.950 -19.973 -16.429 1.00 109.52 ? 153 ASP A OD2 1 ATOM 861 N N . HIS A 1 115 ? 25.551 -23.705 -13.910 1.00 117.41 ? 154 HIS A N 1 ATOM 862 C CA . HIS A 1 115 ? 26.396 -24.369 -12.943 1.00 122.75 ? 154 HIS A CA 1 ATOM 863 C C . HIS A 1 115 ? 27.386 -23.318 -12.482 1.00 122.27 ? 154 HIS A C 1 ATOM 864 O O . HIS A 1 115 ? 28.249 -23.560 -11.634 1.00 126.75 ? 154 HIS A O 1 ATOM 865 C CB . HIS A 1 115 ? 27.066 -25.574 -13.581 1.00 130.86 ? 154 HIS A CB 1 ATOM 866 C CG . HIS A 1 115 ? 26.092 -26.631 -14.000 1.00 140.64 ? 154 HIS A CG 1 ATOM 867 N ND1 . HIS A 1 115 ? 25.681 -26.793 -15.307 1.00 141.08 ? 154 HIS A ND1 1 ATOM 868 C CD2 . HIS A 1 115 ? 25.409 -27.550 -13.275 1.00 138.53 ? 154 HIS A CD2 1 ATOM 869 C CE1 . HIS A 1 115 ? 24.811 -27.787 -15.373 1.00 140.31 ? 154 HIS A CE1 1 ATOM 870 N NE2 . HIS A 1 115 ? 24.627 -28.262 -14.154 1.00 141.60 ? 154 HIS A NE2 1 ATOM 871 N N . ASN A 1 116 ? 27.215 -22.127 -13.041 1.00 115.15 ? 155 ASN A N 1 ATOM 872 C CA . ASN A 1 116 ? 28.031 -20.974 -12.718 1.00 114.36 ? 155 ASN A CA 1 ATOM 873 C C . ASN A 1 116 ? 27.293 -19.950 -11.832 1.00 113.88 ? 155 ASN A C 1 ATOM 874 O O . ASN A 1 116 ? 27.909 -19.049 -11.252 1.00 117.58 ? 155 ASN A O 1 ATOM 875 C CB . ASN A 1 116 ? 28.514 -20.331 -14.013 1.00 117.67 ? 155 ASN A CB 1 ATOM 876 C CG . ASN A 1 116 ? 29.790 -19.542 -13.832 1.00 123.95 ? 155 ASN A CG 1 ATOM 877 O OD1 . ASN A 1 116 ? 30.493 -19.697 -12.834 1.00 126.58 ? 155 ASN A OD1 1 ATOM 878 N ND2 . ASN A 1 116 ? 30.101 -18.691 -14.802 1.00 122.05 ? 155 ASN A ND2 1 ATOM 879 N N . HIS A 1 117 ? 25.972 -20.087 -11.745 1.00 101.25 ? 156 HIS A N 1 ATOM 880 C CA . HIS A 1 117 ? 25.172 -19.323 -10.783 1.00 92.19 ? 156 HIS A CA 1 ATOM 881 C C . HIS A 1 117 ? 23.938 -20.120 -10.430 1.00 85.51 ? 156 HIS A C 1 ATOM 882 O O . HIS A 1 117 ? 23.398 -20.858 -11.257 1.00 78.43 ? 156 HIS A O 1 ATOM 883 C CB . HIS A 1 117 ? 24.715 -17.946 -11.299 1.00 91.46 ? 156 HIS A CB 1 ATOM 884 C CG . HIS A 1 117 ? 25.366 -17.505 -12.569 1.00 94.82 ? 156 HIS A CG 1 ATOM 885 N ND1 . HIS A 1 117 ? 25.055 -18.056 -13.793 1.00 97.06 ? 156 HIS A ND1 1 ATOM 886 C CD2 . HIS A 1 117 ? 26.288 -16.543 -12.810 1.00 94.16 ? 156 HIS A CD2 1 ATOM 887 C CE1 . HIS A 1 117 ? 25.773 -17.468 -14.733 1.00 96.47 ? 156 HIS A CE1 1 ATOM 888 N NE2 . HIS A 1 117 ? 26.527 -16.544 -14.164 1.00 96.66 ? 156 HIS A NE2 1 ATOM 889 N N . MET A 1 118 ? 23.490 -19.963 -9.193 1.00 80.58 ? 157 MET A N 1 ATOM 890 C CA . MET A 1 118 ? 22.273 -20.616 -8.750 1.00 76.53 ? 157 MET A CA 1 ATOM 891 C C . MET A 1 118 ? 21.166 -19.581 -8.622 1.00 67.29 ? 157 MET A C 1 ATOM 892 O O . MET A 1 118 ? 21.397 -18.485 -8.118 1.00 65.51 ? 157 MET A O 1 ATOM 893 C CB . MET A 1 118 ? 22.499 -21.272 -7.403 1.00 80.64 ? 157 MET A CB 1 ATOM 894 C CG . MET A 1 118 ? 23.965 -21.414 -7.040 1.00 81.28 ? 157 MET A CG 1 ATOM 895 S SD . MET A 1 118 ? 24.144 -22.738 -5.850 1.00 90.92 ? 157 MET A SD 1 ATOM 896 C CE . MET A 1 118 ? 22.815 -23.847 -6.365 1.00 77.85 ? 157 MET A CE 1 ATOM 897 N N . CYS A 1 119 ? 19.976 -19.937 -9.093 1.00 56.61 ? 158 CYS A N 1 ATOM 898 C CA . CYS A 1 119 ? 18.794 -19.119 -8.931 1.00 58.89 ? 158 CYS A CA 1 ATOM 899 C C . CYS A 1 119 ? 17.570 -19.965 -9.177 1.00 61.62 ? 158 CYS A C 1 ATOM 900 O O . CYS A 1 119 ? 17.670 -21.062 -9.715 1.00 65.17 ? 158 CYS A O 1 ATOM 901 C CB . CYS A 1 119 ? 18.799 -17.911 -9.875 1.00 58.12 ? 158 CYS A CB 1 ATOM 902 S SG . CYS A 1 119 ? 19.024 -18.301 -11.626 1.00 61.56 ? 158 CYS A SG 1 ATOM 903 N N . MET A 1 120 ? 16.412 -19.469 -8.763 1.00 60.82 ? 159 MET A N 1 ATOM 904 C CA . MET A 1 120 ? 15.194 -20.192 -9.013 1.00 60.85 ? 159 MET A CA 1 ATOM 905 C C . MET A 1 120 ? 14.589 -19.614 -10.286 1.00 68.64 ? 159 MET A C 1 ATOM 906 O O . MET A 1 120 ? 14.939 -18.495 -10.694 1.00 74.39 ? 159 MET A O 1 ATOM 907 C CB . MET A 1 120 ? 14.272 -20.137 -7.790 1.00 58.00 ? 159 MET A CB 1 ATOM 908 C CG . MET A 1 120 ? 15.001 -20.471 -6.493 1.00 55.45 ? 159 MET A CG 1 ATOM 909 S SD . MET A 1 120 ? 13.926 -20.452 -5.049 1.00 56.46 ? 159 MET A SD 1 ATOM 910 C CE . MET A 1 120 ? 13.892 -18.679 -4.774 1.00 53.97 ? 159 MET A CE 1 ATOM 911 N N . GLU A 1 121 ? 13.741 -20.415 -10.943 1.00 78.78 ? 160 GLU A N 1 ATOM 912 C CA . GLU A 1 121 ? 13.177 -20.079 -12.270 1.00 87.86 ? 160 GLU A CA 1 ATOM 913 C C . GLU A 1 121 ? 11.706 -20.142 -12.439 1.00 80.47 ? 160 GLU A C 1 ATOM 914 O O . GLU A 1 121 ? 11.201 -19.727 -13.473 1.00 89.22 ? 160 GLU A O 1 ATOM 915 C CB . GLU A 1 121 ? 13.624 -21.038 -13.352 1.00 100.75 ? 160 GLU A CB 1 ATOM 916 C CG . GLU A 1 121 ? 12.888 -20.751 -14.649 1.00 125.89 ? 160 GLU A CG 1 ATOM 917 C CD . GLU A 1 121 ? 13.739 -19.960 -15.638 1.00 133.00 ? 160 GLU A CD 1 ATOM 918 O OE1 . GLU A 1 121 ? 14.256 -18.869 -15.286 1.00 137.91 ? 160 GLU A OE1 1 ATOM 919 O OE2 . GLU A 1 121 ? 13.900 -20.437 -16.785 1.00 134.49 ? 160 GLU A OE2 1 ATOM 920 N N . GLY A 1 122 ? 11.043 -20.798 -11.522 1.00 74.90 ? 161 GLY A N 1 ATOM 921 C CA . GLY A 1 122 ? 9.605 -20.929 -11.612 1.00 85.74 ? 161 GLY A CA 1 ATOM 922 C C . GLY A 1 122 ? 9.181 -21.082 -10.175 1.00 94.59 ? 161 GLY A C 1 ATOM 923 O O . GLY A 1 122 ? 10.029 -20.928 -9.292 1.00 96.15 ? 161 GLY A O 1 ATOM 924 N N . PRO A 1 123 ? 7.875 -21.344 -9.906 1.00 103.67 ? 162 PRO A N 1 ATOM 925 C CA . PRO A 1 123 ? 7.600 -21.784 -8.534 1.00 110.23 ? 162 PRO A CA 1 ATOM 926 C C . PRO A 1 123 ? 8.167 -23.181 -8.296 1.00 115.38 ? 162 PRO A C 1 ATOM 927 O O . PRO A 1 123 ? 7.427 -24.116 -8.061 1.00 121.63 ? 162 PRO A O 1 ATOM 928 C CB . PRO A 1 123 ? 6.067 -21.787 -8.479 1.00 108.84 ? 162 PRO A CB 1 ATOM 929 C CG . PRO A 1 123 ? 5.695 -20.676 -9.413 1.00 108.69 ? 162 PRO A CG 1 ATOM 930 C CD . PRO A 1 123 ? 6.628 -20.921 -10.578 1.00 103.53 ? 162 PRO A CD 1 ATOM 931 N N . GLY A 1 124 ? 9.478 -23.302 -8.411 1.00 117.80 ? 163 GLY A N 1 ATOM 932 C CA . GLY A 1 124 ? 10.166 -24.531 -8.161 1.00 118.33 ? 163 GLY A CA 1 ATOM 933 C C . GLY A 1 124 ? 11.068 -23.961 -7.111 1.00 119.56 ? 163 GLY A C 1 ATOM 934 O O . GLY A 1 124 ? 11.412 -22.766 -7.182 1.00 126.86 ? 163 GLY A O 1 ATOM 935 N N . ASP A 1 125 ? 11.365 -24.771 -6.105 1.00 113.34 ? 164 ASP A N 1 ATOM 936 C CA . ASP A 1 125 ? 12.285 -24.394 -5.055 1.00 108.04 ? 164 ASP A CA 1 ATOM 937 C C . ASP A 1 125 ? 13.660 -24.835 -5.500 1.00 105.75 ? 164 ASP A C 1 ATOM 938 O O . ASP A 1 125 ? 14.376 -24.075 -6.140 1.00 99.28 ? 164 ASP A O 1 ATOM 939 C CB . ASP A 1 125 ? 11.908 -25.060 -3.735 1.00 104.64 ? 164 ASP A CB 1 ATOM 940 N N . ARG B 1 5 ? -14.601 -36.254 -2.609 1.00 109.07 ? 44 ARG B N 1 ATOM 941 C CA . ARG B 1 5 ? -15.285 -35.130 -3.316 1.00 110.52 ? 44 ARG B CA 1 ATOM 942 C C . ARG B 1 5 ? -14.823 -33.805 -2.730 1.00 105.91 ? 44 ARG B C 1 ATOM 943 O O . ARG B 1 5 ? -15.053 -32.746 -3.312 1.00 103.62 ? 44 ARG B O 1 ATOM 944 C CB . ARG B 1 5 ? -16.811 -35.243 -3.183 1.00 109.59 ? 44 ARG B CB 1 ATOM 945 C CG . ARG B 1 5 ? -17.337 -36.666 -3.017 1.00 117.20 ? 44 ARG B CG 1 ATOM 946 C CD . ARG B 1 5 ? -17.676 -37.349 -4.325 1.00 123.10 ? 44 ARG B CD 1 ATOM 947 N NE . ARG B 1 5 ? -17.492 -38.792 -4.193 1.00 130.84 ? 44 ARG B NE 1 ATOM 948 C CZ . ARG B 1 5 ? -18.042 -39.693 -5.005 1.00 131.95 ? 44 ARG B CZ 1 ATOM 949 N NH1 . ARG B 1 5 ? -18.820 -39.310 -6.024 1.00 132.04 ? 44 ARG B NH1 1 ATOM 950 N NH2 . ARG B 1 5 ? -17.818 -40.989 -4.805 1.00 128.30 ? 44 ARG B NH2 1 ATOM 951 N N . CYS B 1 6 ? -14.156 -33.886 -1.583 1.00 98.72 ? 45 CYS B N 1 ATOM 952 C CA . CYS B 1 6 ? -13.721 -32.718 -0.842 1.00 97.57 ? 45 CYS B CA 1 ATOM 953 C C . CYS B 1 6 ? -12.190 -32.621 -0.788 1.00 99.17 ? 45 CYS B C 1 ATOM 954 O O . CYS B 1 6 ? -11.508 -33.628 -0.616 1.00 102.11 ? 45 CYS B O 1 ATOM 955 C CB . CYS B 1 6 ? -14.298 -32.770 0.579 1.00 94.89 ? 45 CYS B CB 1 ATOM 956 S SG . CYS B 1 6 ? -16.064 -32.447 0.915 1.00 94.35 ? 45 CYS B SG 1 ATOM 957 N N . ASP B 1 7 ? -11.652 -31.413 -0.946 1.00 100.38 ? 46 ASP B N 1 ATOM 958 C CA . ASP B 1 7 ? -10.199 -31.205 -0.911 1.00 95.32 ? 46 ASP B CA 1 ATOM 959 C C . ASP B 1 7 ? -9.724 -30.694 0.451 1.00 90.93 ? 46 ASP B C 1 ATOM 960 O O . ASP B 1 7 ? -10.334 -29.782 1.027 1.00 89.84 ? 46 ASP B O 1 ATOM 961 C CB . ASP B 1 7 ? -9.767 -30.235 -2.010 1.00 97.82 ? 46 ASP B CB 1 ATOM 962 C CG . ASP B 1 7 ? -10.386 -30.568 -3.363 1.00 103.37 ? 46 ASP B CG 1 ATOM 963 O OD1 . ASP B 1 7 ? -9.977 -31.585 -3.961 1.00 109.66 ? 46 ASP B OD1 1 ATOM 964 O OD2 . ASP B 1 7 ? -11.275 -29.819 -3.834 1.00 98.59 ? 46 ASP B OD2 1 ATOM 965 N N . PRO B 1 8 ? -8.627 -31.274 0.971 1.00 88.50 ? 47 PRO B N 1 ATOM 966 C CA . PRO B 1 8 ? -8.100 -30.860 2.283 1.00 85.97 ? 47 PRO B CA 1 ATOM 967 C C . PRO B 1 8 ? -7.644 -29.403 2.251 1.00 79.85 ? 47 PRO B C 1 ATOM 968 O O . PRO B 1 8 ? -7.294 -28.889 1.189 1.00 70.49 ? 47 PRO B O 1 ATOM 969 C CB . PRO B 1 8 ? -6.911 -31.797 2.502 1.00 85.60 ? 47 PRO B CB 1 ATOM 970 C CG . PRO B 1 8 ? -6.505 -32.235 1.129 1.00 87.42 ? 47 PRO B CG 1 ATOM 971 C CD . PRO B 1 8 ? -7.754 -32.253 0.297 1.00 86.35 ? 47 PRO B CD 1 ATOM 972 N N . ILE B 1 9 ? -7.669 -28.738 3.395 1.00 79.52 ? 48 ILE B N 1 ATOM 973 C CA . ILE B 1 9 ? -7.338 -27.322 3.441 1.00 81.33 ? 48 ILE B CA 1 ATOM 974 C C . ILE B 1 9 ? -5.828 -27.153 3.468 1.00 85.69 ? 48 ILE B C 1 ATOM 975 O O . ILE B 1 9 ? -5.173 -27.534 4.431 1.00 84.78 ? 48 ILE B O 1 ATOM 976 C CB . ILE B 1 9 ? -7.997 -26.622 4.646 1.00 78.01 ? 48 ILE B CB 1 ATOM 977 C CG1 . ILE B 1 9 ? -9.525 -26.634 4.481 1.00 77.54 ? 48 ILE B CG1 1 ATOM 978 C CG2 . ILE B 1 9 ? -7.479 -25.193 4.797 1.00 75.91 ? 48 ILE B CG2 1 ATOM 979 C CD1 . ILE B 1 9 ? -10.299 -26.407 5.764 1.00 70.84 ? 48 ILE B CD1 1 ATOM 980 N N . ARG B 1 10 ? -5.288 -26.582 2.395 1.00 91.64 ? 49 ARG B N 1 ATOM 981 C CA . ARG B 1 10 ? -3.847 -26.400 2.256 1.00 92.93 ? 49 ARG B CA 1 ATOM 982 C C . ARG B 1 10 ? -3.396 -25.101 2.933 1.00 86.55 ? 49 ARG B C 1 ATOM 983 O O . ARG B 1 10 ? -2.216 -24.925 3.216 1.00 93.24 ? 49 ARG B O 1 ATOM 984 C CB . ARG B 1 10 ? -3.440 -26.420 0.767 1.00 99.94 ? 49 ARG B CB 1 ATOM 985 C CG . ARG B 1 10 ? -3.837 -27.692 -0.006 1.00 103.59 ? 49 ARG B CG 1 ATOM 986 C CD . ARG B 1 10 ? -3.431 -27.700 -1.484 1.00 105.92 ? 49 ARG B CD 1 ATOM 987 N NE . ARG B 1 10 ? -4.233 -26.812 -2.339 1.00 111.91 ? 49 ARG B NE 1 ATOM 988 C CZ . ARG B 1 10 ? -3.902 -26.453 -3.582 1.00 113.33 ? 49 ARG B CZ 1 ATOM 989 N NH1 . ARG B 1 10 ? -2.784 -26.906 -4.133 1.00 115.31 ? 49 ARG B NH1 1 ATOM 990 N NH2 . ARG B 1 10 ? -4.687 -25.641 -4.282 1.00 111.00 ? 49 ARG B NH2 1 ATOM 991 N N . ILE B 1 11 ? -4.348 -24.210 3.200 1.00 80.06 ? 50 ILE B N 1 ATOM 992 C CA . ILE B 1 11 ? -4.060 -22.886 3.740 1.00 70.70 ? 50 ILE B CA 1 ATOM 993 C C . ILE B 1 11 ? -3.778 -22.929 5.234 1.00 69.89 ? 50 ILE B C 1 ATOM 994 O O . ILE B 1 11 ? -4.621 -23.339 6.028 1.00 71.00 ? 50 ILE B O 1 ATOM 995 C CB . ILE B 1 11 ? -5.199 -21.892 3.440 1.00 69.14 ? 50 ILE B CB 1 ATOM 996 C CG1 . ILE B 1 11 ? -5.469 -21.852 1.931 1.00 66.10 ? 50 ILE B CG1 1 ATOM 997 C CG2 . ILE B 1 11 ? -4.868 -20.506 3.993 1.00 65.60 ? 50 ILE B CG2 1 ATOM 998 C CD1 . ILE B 1 11 ? -6.595 -20.923 1.535 1.00 71.05 ? 50 ILE B CD1 1 ATOM 999 N N . SER B 1 12 ? -2.588 -22.472 5.607 1.00 74.58 ? 51 SER B N 1 ATOM 1000 C CA . SER B 1 12 ? -2.079 -22.635 6.965 1.00 74.59 ? 51 SER B CA 1 ATOM 1001 C C . SER B 1 12 ? -2.800 -21.845 8.046 1.00 71.89 ? 51 SER B C 1 ATOM 1002 O O . SER B 1 12 ? -2.899 -22.305 9.180 1.00 72.99 ? 51 SER B O 1 ATOM 1003 C CB . SER B 1 12 ? -0.597 -22.295 7.012 1.00 84.09 ? 51 SER B CB 1 ATOM 1004 O OG . SER B 1 12 ? -0.193 -22.158 8.359 1.00 91.47 ? 51 SER B OG 1 ATOM 1005 N N . MET B 1 13 ? -3.280 -20.652 7.709 1.00 72.02 ? 52 MET B N 1 ATOM 1006 C CA . MET B 1 13 ? -3.989 -19.815 8.687 1.00 73.51 ? 52 MET B CA 1 ATOM 1007 C C . MET B 1 13 ? -5.420 -20.309 8.940 1.00 73.06 ? 52 MET B C 1 ATOM 1008 O O . MET B 1 13 ? -6.104 -19.871 9.865 1.00 76.10 ? 52 MET B O 1 ATOM 1009 C CB . MET B 1 13 ? -3.993 -18.359 8.233 1.00 69.82 ? 52 MET B CB 1 ATOM 1010 C CG . MET B 1 13 ? -5.141 -18.001 7.321 1.00 74.91 ? 52 MET B CG 1 ATOM 1011 S SD . MET B 1 13 ? -5.306 -16.225 7.054 1.00 90.15 ? 52 MET B SD 1 ATOM 1012 C CE . MET B 1 13 ? -3.782 -15.884 6.182 1.00 78.94 ? 52 MET B CE 1 ATOM 1013 N N . CYS B 1 14 ? -5.858 -21.235 8.101 1.00 70.13 ? 53 CYS B N 1 ATOM 1014 C CA . CYS B 1 14 ? -7.200 -21.789 8.194 1.00 71.70 ? 53 CYS B CA 1 ATOM 1015 C C . CYS B 1 14 ? -7.242 -23.219 8.734 1.00 74.38 ? 53 CYS B C 1 ATOM 1016 O O . CYS B 1 14 ? -8.220 -23.940 8.532 1.00 78.40 ? 53 CYS B O 1 ATOM 1017 C CB . CYS B 1 14 ? -7.879 -21.716 6.821 1.00 65.67 ? 53 CYS B CB 1 ATOM 1018 S SG . CYS B 1 14 ? -8.354 -20.027 6.346 1.00 58.23 ? 53 CYS B SG 1 ATOM 1019 N N . GLN B 1 15 ? -6.193 -23.628 9.440 1.00 74.11 ? 54 GLN B N 1 ATOM 1020 C CA . GLN B 1 15 ? -6.083 -25.022 9.836 1.00 73.61 ? 54 GLN B CA 1 ATOM 1021 C C . GLN B 1 15 ? -6.587 -25.445 11.207 1.00 77.20 ? 54 GLN B C 1 ATOM 1022 O O . GLN B 1 15 ? -6.641 -26.630 11.492 1.00 87.91 ? 54 GLN B O 1 ATOM 1023 C CB . GLN B 1 15 ? -4.681 -25.556 9.593 1.00 73.67 ? 54 GLN B CB 1 ATOM 1024 C CG . GLN B 1 15 ? -4.615 -26.431 8.354 1.00 80.41 ? 54 GLN B CG 1 ATOM 1025 C CD . GLN B 1 15 ? -3.364 -26.232 7.532 1.00 90.30 ? 54 GLN B CD 1 ATOM 1026 O OE1 . GLN B 1 15 ? -2.287 -25.946 8.057 1.00 104.65 ? 54 GLN B OE1 1 ATOM 1027 N NE2 . GLN B 1 15 ? -3.498 -26.399 6.226 1.00 95.74 ? 54 GLN B NE2 1 ATOM 1028 N N . ASN B 1 16 ? -6.988 -24.535 12.071 1.00 74.84 ? 55 ASN B N 1 ATOM 1029 C CA . ASN B 1 16 ? -7.601 -25.061 13.281 1.00 81.17 ? 55 ASN B CA 1 ATOM 1030 C C . ASN B 1 16 ? -9.058 -24.672 13.498 1.00 82.70 ? 55 ASN B C 1 ATOM 1031 O O . ASN B 1 16 ? -9.348 -23.960 14.453 1.00 85.38 ? 55 ASN B O 1 ATOM 1032 C CB . ASN B 1 16 ? -6.771 -24.682 14.505 1.00 91.21 ? 55 ASN B CB 1 ATOM 1033 C CG . ASN B 1 16 ? -6.730 -25.782 15.558 1.00 98.19 ? 55 ASN B CG 1 ATOM 1034 O OD1 . ASN B 1 16 ? -6.296 -26.908 15.289 1.00 99.95 ? 55 ASN B OD1 1 ATOM 1035 N ND2 . ASN B 1 16 ? -7.154 -25.450 16.777 1.00 95.05 ? 55 ASN B ND2 1 ATOM 1036 N N . LEU B 1 17 ? -9.970 -25.173 12.678 1.00 79.23 ? 56 LEU B N 1 ATOM 1037 C CA . LEU B 1 17 ? -11.334 -24.719 12.757 1.00 83.12 ? 56 LEU B CA 1 ATOM 1038 C C . LEU B 1 17 ? -12.032 -26.029 12.892 1.00 84.98 ? 56 LEU B C 1 ATOM 1039 O O . LEU B 1 17 ? -11.369 -27.063 12.879 1.00 84.72 ? 56 LEU B O 1 ATOM 1040 C CB . LEU B 1 17 ? -11.729 -23.960 11.483 1.00 84.88 ? 56 LEU B CB 1 ATOM 1041 C CG . LEU B 1 17 ? -10.685 -23.025 10.821 1.00 83.36 ? 56 LEU B CG 1 ATOM 1042 C CD1 . LEU B 1 17 ? -11.086 -22.674 9.384 1.00 78.73 ? 56 LEU B CD1 1 ATOM 1043 C CD2 . LEU B 1 17 ? -10.362 -21.764 11.631 1.00 73.92 ? 56 LEU B CD2 1 ATOM 1044 N N . GLY B 1 18 ? -13.348 -26.011 13.024 1.00 82.97 ? 57 GLY B N 1 ATOM 1045 C CA . GLY B 1 18 ? -14.069 -27.244 13.272 1.00 80.94 ? 57 GLY B CA 1 ATOM 1046 C C . GLY B 1 18 ? -13.884 -28.260 12.162 1.00 78.95 ? 57 GLY B C 1 ATOM 1047 O O . GLY B 1 18 ? -14.197 -29.430 12.342 1.00 82.61 ? 57 GLY B O 1 ATOM 1048 N N . TYR B 1 19 ? -13.354 -27.808 11.022 1.00 74.89 ? 58 TYR B N 1 ATOM 1049 C CA . TYR B 1 19 ? -13.218 -28.641 9.832 1.00 69.53 ? 58 TYR B CA 1 ATOM 1050 C C . TYR B 1 19 ? -11.843 -28.659 9.160 1.00 71.06 ? 58 TYR B C 1 ATOM 1051 O O . TYR B 1 19 ? -11.110 -27.664 9.186 1.00 83.34 ? 58 TYR B O 1 ATOM 1052 C CB . TYR B 1 19 ? -14.284 -28.254 8.804 1.00 66.83 ? 58 TYR B CB 1 ATOM 1053 C CG . TYR B 1 19 ? -14.215 -26.823 8.299 1.00 66.27 ? 58 TYR B CG 1 ATOM 1054 C CD1 . TYR B 1 19 ? -14.615 -25.751 9.099 1.00 62.57 ? 58 TYR B CD1 1 ATOM 1055 C CD2 . TYR B 1 19 ? -13.771 -26.551 7.001 1.00 59.72 ? 58 TYR B CD2 1 ATOM 1056 C CE1 . TYR B 1 19 ? -14.552 -24.452 8.621 1.00 61.06 ? 58 TYR B CE1 1 ATOM 1057 C CE2 . TYR B 1 19 ? -13.715 -25.263 6.517 1.00 57.18 ? 58 TYR B CE2 1 ATOM 1058 C CZ . TYR B 1 19 ? -14.103 -24.215 7.325 1.00 60.99 ? 58 TYR B CZ 1 ATOM 1059 O OH . TYR B 1 19 ? -14.035 -22.932 6.832 1.00 59.20 ? 58 TYR B OH 1 ATOM 1060 N N . ASN B 1 20 ? -11.532 -29.793 8.525 1.00 76.23 ? 59 ASN B N 1 ATOM 1061 C CA . ASN B 1 20 ? -10.258 -30.024 7.820 1.00 79.53 ? 59 ASN B CA 1 ATOM 1062 C C . ASN B 1 20 ? -10.387 -30.005 6.282 1.00 74.69 ? 59 ASN B C 1 ATOM 1063 O O . ASN B 1 20 ? -9.376 -30.080 5.569 1.00 74.45 ? 59 ASN B O 1 ATOM 1064 C CB . ASN B 1 20 ? -9.624 -31.360 8.276 1.00 92.26 ? 59 ASN B CB 1 ATOM 1065 C CG . ASN B 1 20 ? -10.285 -31.933 9.559 1.00 109.47 ? 59 ASN B CG 1 ATOM 1066 O OD1 . ASN B 1 20 ? -11.325 -31.457 9.953 1.00 115.77 ? 59 ASN B OD1 1 ATOM 1067 N ND2 . ASN B 1 20 ? -9.684 -32.880 10.267 1.00 124.21 ? 59 ASN B ND2 1 ATOM 1068 N N . VAL B 1 21 ? -11.610 -29.863 5.754 1.00 69.74 ? 60 VAL B N 1 ATOM 1069 C CA . VAL B 1 21 ? -11.828 -30.000 4.301 1.00 67.90 ? 60 VAL B CA 1 ATOM 1070 C C . VAL B 1 21 ? -12.703 -28.912 3.653 1.00 62.26 ? 60 VAL B C 1 ATOM 1071 O O . VAL B 1 21 ? -13.606 -28.357 4.290 1.00 58.98 ? 60 VAL B O 1 ATOM 1072 C CB . VAL B 1 21 ? -12.439 -31.379 3.949 1.00 75.21 ? 60 VAL B CB 1 ATOM 1073 C CG1 . VAL B 1 21 ? -11.852 -31.886 2.644 1.00 78.13 ? 60 VAL B CG1 1 ATOM 1074 C CG2 . VAL B 1 21 ? -12.197 -32.407 5.049 1.00 75.72 ? 60 VAL B CG2 1 ATOM 1075 N N . THR B 1 22 ? -12.456 -28.639 2.371 1.00 57.08 ? 61 THR B N 1 ATOM 1076 C CA . THR B 1 22 ? -13.163 -27.570 1.658 1.00 57.77 ? 61 THR B CA 1 ATOM 1077 C C . THR B 1 22 ? -13.388 -27.947 0.193 1.00 59.45 ? 61 THR B C 1 ATOM 1078 O O . THR B 1 22 ? -12.900 -28.967 -0.266 1.00 55.74 ? 61 THR B O 1 ATOM 1079 C CB . THR B 1 22 ? -12.363 -26.247 1.707 1.00 59.71 ? 61 THR B CB 1 ATOM 1080 O OG1 . THR B 1 22 ? -13.144 -25.183 1.151 1.00 57.43 ? 61 THR B OG1 1 ATOM 1081 C CG2 . THR B 1 22 ? -11.071 -26.376 0.893 1.00 62.56 ? 61 THR B CG2 1 ATOM 1082 N N . LYS B 1 23 ? -14.104 -27.106 -0.543 1.00 65.73 ? 62 LYS B N 1 ATOM 1083 C CA . LYS B 1 23 ? -14.284 -27.297 -1.980 1.00 75.17 ? 62 LYS B CA 1 ATOM 1084 C C . LYS B 1 23 ? -14.252 -25.967 -2.721 1.00 79.66 ? 62 LYS B C 1 ATOM 1085 O O . LYS B 1 23 ? -14.981 -25.034 -2.378 1.00 84.03 ? 62 LYS B O 1 ATOM 1086 C CB . LYS B 1 23 ? -15.619 -27.995 -2.251 1.00 83.93 ? 62 LYS B CB 1 ATOM 1087 C CG . LYS B 1 23 ? -15.787 -28.498 -3.675 1.00 93.76 ? 62 LYS B CG 1 ATOM 1088 C CD . LYS B 1 23 ? -15.064 -29.824 -3.853 1.00 102.09 ? 62 LYS B CD 1 ATOM 1089 C CE . LYS B 1 23 ? -14.943 -30.230 -5.313 1.00 105.04 ? 62 LYS B CE 1 ATOM 1090 N NZ . LYS B 1 23 ? -13.841 -31.217 -5.490 1.00 106.96 ? 62 LYS B NZ 1 ATOM 1091 N N . MET B 1 24 ? -13.405 -25.878 -3.735 1.00 84.31 ? 63 MET B N 1 ATOM 1092 C CA . MET B 1 24 ? -13.404 -24.702 -4.595 1.00 89.22 ? 63 MET B CA 1 ATOM 1093 C C . MET B 1 24 ? -14.418 -24.930 -5.719 1.00 89.22 ? 63 MET B C 1 ATOM 1094 O O . MET B 1 24 ? -14.629 -26.068 -6.125 1.00 92.66 ? 63 MET B O 1 ATOM 1095 C CB . MET B 1 24 ? -12.001 -24.425 -5.147 1.00 92.01 ? 63 MET B CB 1 ATOM 1096 C CG . MET B 1 24 ? -10.894 -24.437 -4.092 1.00 94.16 ? 63 MET B CG 1 ATOM 1097 S SD . MET B 1 24 ? -11.104 -23.236 -2.753 1.00 96.92 ? 63 MET B SD 1 ATOM 1098 C CE . MET B 1 24 ? -11.127 -21.701 -3.675 1.00 90.38 ? 63 MET B CE 1 ATOM 1099 N N . PRO B 1 25 ? -15.052 -23.859 -6.228 1.00 90.92 ? 64 PRO B N 1 ATOM 1100 C CA . PRO B 1 25 ? -14.841 -22.437 -5.924 1.00 94.89 ? 64 PRO B CA 1 ATOM 1101 C C . PRO B 1 25 ? -15.418 -21.985 -4.576 1.00 94.01 ? 64 PRO B C 1 ATOM 1102 O O . PRO B 1 25 ? -16.477 -22.463 -4.159 1.00 93.89 ? 64 PRO B O 1 ATOM 1103 C CB . PRO B 1 25 ? -15.570 -21.726 -7.068 1.00 94.69 ? 64 PRO B CB 1 ATOM 1104 C CG . PRO B 1 25 ? -16.659 -22.668 -7.458 1.00 91.73 ? 64 PRO B CG 1 ATOM 1105 C CD . PRO B 1 25 ? -16.133 -24.058 -7.214 1.00 90.02 ? 64 PRO B CD 1 ATOM 1106 N N . ASN B 1 26 ? -14.718 -21.068 -3.911 1.00 87.02 ? 65 ASN B N 1 ATOM 1107 C CA . ASN B 1 26 ? -15.175 -20.541 -2.630 1.00 81.77 ? 65 ASN B CA 1 ATOM 1108 C C . ASN B 1 26 ? -16.287 -19.510 -2.808 1.00 80.76 ? 65 ASN B C 1 ATOM 1109 O O . ASN B 1 26 ? -16.769 -19.293 -3.921 1.00 77.39 ? 65 ASN B O 1 ATOM 1110 C CB . ASN B 1 26 ? -14.003 -19.978 -1.812 1.00 73.57 ? 65 ASN B CB 1 ATOM 1111 C CG . ASN B 1 26 ? -13.320 -18.799 -2.478 1.00 70.46 ? 65 ASN B CG 1 ATOM 1112 O OD1 . ASN B 1 26 ? -13.893 -18.120 -3.333 1.00 68.53 ? 65 ASN B OD1 1 ATOM 1113 N ND2 . ASN B 1 26 ? -12.076 -18.543 -2.076 1.00 67.17 ? 65 ASN B ND2 1 ATOM 1114 N N . LEU B 1 27 ? -16.681 -18.870 -1.713 1.00 85.56 ? 66 LEU B N 1 ATOM 1115 C CA . LEU B 1 27 ? -17.831 -17.966 -1.726 1.00 87.29 ? 66 LEU B CA 1 ATOM 1116 C C . LEU B 1 27 ? -17.460 -16.628 -2.322 1.00 86.82 ? 66 LEU B C 1 ATOM 1117 O O . LEU B 1 27 ? -18.299 -15.745 -2.465 1.00 88.90 ? 66 LEU B O 1 ATOM 1118 C CB . LEU B 1 27 ? -18.386 -17.774 -0.316 1.00 80.54 ? 66 LEU B CB 1 ATOM 1119 C CG . LEU B 1 27 ? -18.787 -19.044 0.438 1.00 75.98 ? 66 LEU B CG 1 ATOM 1120 C CD1 . LEU B 1 27 ? -19.409 -18.664 1.770 1.00 78.75 ? 66 LEU B CD1 1 ATOM 1121 C CD2 . LEU B 1 27 ? -19.760 -19.875 -0.378 1.00 76.29 ? 66 LEU B CD2 1 ATOM 1122 N N . VAL B 1 28 ? -16.192 -16.496 -2.675 1.00 90.42 ? 67 VAL B N 1 ATOM 1123 C CA . VAL B 1 28 ? -15.685 -15.270 -3.250 1.00 92.52 ? 67 VAL B CA 1 ATOM 1124 C C . VAL B 1 28 ? -15.327 -15.440 -4.747 1.00 94.68 ? 67 VAL B C 1 ATOM 1125 O O . VAL B 1 28 ? -15.071 -14.462 -5.449 1.00 96.29 ? 67 VAL B O 1 ATOM 1126 C CB . VAL B 1 28 ? -14.553 -14.711 -2.348 1.00 93.65 ? 67 VAL B CB 1 ATOM 1127 C CG1 . VAL B 1 28 ? -13.348 -14.234 -3.141 1.00 94.64 ? 67 VAL B CG1 1 ATOM 1128 C CG2 . VAL B 1 28 ? -15.102 -13.616 -1.445 1.00 96.08 ? 67 VAL B CG2 1 ATOM 1129 N N . GLY B 1 29 ? -15.350 -16.678 -5.238 1.00 92.86 ? 68 GLY B N 1 ATOM 1130 C CA . GLY B 1 29 ? -15.143 -16.940 -6.667 1.00 94.25 ? 68 GLY B CA 1 ATOM 1131 C C . GLY B 1 29 ? -13.863 -17.630 -7.109 1.00 95.26 ? 68 GLY B C 1 ATOM 1132 O O . GLY B 1 29 ? -13.752 -18.030 -8.267 1.00 104.12 ? 68 GLY B O 1 ATOM 1133 N N . HIS B 1 30 ? -12.895 -17.774 -6.209 1.00 94.50 ? 69 HIS B N 1 ATOM 1134 C CA . HIS B 1 30 ? -11.620 -18.411 -6.552 1.00 97.90 ? 69 HIS B CA 1 ATOM 1135 C C . HIS B 1 30 ? -11.775 -19.891 -6.919 1.00 99.04 ? 69 HIS B C 1 ATOM 1136 O O . HIS B 1 30 ? -12.486 -20.633 -6.243 1.00 102.11 ? 69 HIS B O 1 ATOM 1137 C CB . HIS B 1 30 ? -10.613 -18.274 -5.405 1.00 99.50 ? 69 HIS B CB 1 ATOM 1138 C CG . HIS B 1 30 ? -10.250 -16.857 -5.075 1.00 105.02 ? 69 HIS B CG 1 ATOM 1139 N ND1 . HIS B 1 30 ? -10.553 -16.276 -3.862 1.00 104.23 ? 69 HIS B ND1 1 ATOM 1140 C CD2 . HIS B 1 30 ? -9.606 -15.907 -5.797 1.00 100.60 ? 69 HIS B CD2 1 ATOM 1141 C CE1 . HIS B 1 30 ? -10.108 -15.032 -3.850 1.00 103.86 ? 69 HIS B CE1 1 ATOM 1142 N NE2 . HIS B 1 30 ? -9.532 -14.782 -5.012 1.00 100.19 ? 69 HIS B NE2 1 ATOM 1143 N N . GLU B 1 31 ? -11.099 -20.306 -7.989 1.00 94.30 ? 70 GLU B N 1 ATOM 1144 C CA . GLU B 1 31 ? -11.050 -21.716 -8.390 1.00 89.22 ? 70 GLU B CA 1 ATOM 1145 C C . GLU B 1 31 ? -9.939 -22.490 -7.681 1.00 90.45 ? 70 GLU B C 1 ATOM 1146 O O . GLU B 1 31 ? -9.989 -23.720 -7.588 1.00 91.54 ? 70 GLU B O 1 ATOM 1147 C CB . GLU B 1 31 ? -10.870 -21.838 -9.905 1.00 88.58 ? 70 GLU B CB 1 ATOM 1148 N N . LEU B 1 32 ? -8.934 -21.769 -7.191 1.00 92.19 ? 71 LEU B N 1 ATOM 1149 C CA . LEU B 1 32 ? -7.754 -22.396 -6.588 1.00 99.26 ? 71 LEU B CA 1 ATOM 1150 C C . LEU B 1 32 ? -7.492 -21.900 -5.160 1.00 93.94 ? 71 LEU B C 1 ATOM 1151 O O . LEU B 1 32 ? -7.577 -20.700 -4.884 1.00 94.00 ? 71 LEU B O 1 ATOM 1152 C CB . LEU B 1 32 ? -6.522 -22.163 -7.472 1.00 103.70 ? 71 LEU B CB 1 ATOM 1153 C CG . LEU B 1 32 ? -6.552 -22.900 -8.813 1.00 107.04 ? 71 LEU B CG 1 ATOM 1154 C CD1 . LEU B 1 32 ? -5.674 -22.216 -9.855 1.00 104.87 ? 71 LEU B CD1 1 ATOM 1155 C CD2 . LEU B 1 32 ? -6.145 -24.353 -8.613 1.00 103.87 ? 71 LEU B CD2 1 ATOM 1156 N N . GLN B 1 33 ? -7.177 -22.826 -4.256 1.00 90.16 ? 72 GLN B N 1 ATOM 1157 C CA . GLN B 1 33 ? -6.826 -22.476 -2.876 1.00 92.84 ? 72 GLN B CA 1 ATOM 1158 C C . GLN B 1 33 ? -5.682 -21.465 -2.812 1.00 92.56 ? 72 GLN B C 1 ATOM 1159 O O . GLN B 1 33 ? -5.682 -20.570 -1.979 1.00 95.79 ? 72 GLN B O 1 ATOM 1160 C CB . GLN B 1 33 ? -6.449 -23.729 -2.076 1.00 90.60 ? 72 GLN B CB 1 ATOM 1161 C CG . GLN B 1 33 ? -7.632 -24.489 -1.497 1.00 89.09 ? 72 GLN B CG 1 ATOM 1162 C CD . GLN B 1 33 ? -7.228 -25.482 -0.421 1.00 87.24 ? 72 GLN B CD 1 ATOM 1163 O OE1 . GLN B 1 33 ? -6.609 -25.120 0.585 1.00 86.34 ? 72 GLN B OE1 1 ATOM 1164 N NE2 . GLN B 1 33 ? -7.588 -26.743 -0.624 1.00 86.59 ? 72 GLN B NE2 1 ATOM 1165 N N . THR B 1 34 ? -4.710 -21.618 -3.703 1.00 93.18 ? 73 THR B N 1 ATOM 1166 C CA . THR B 1 34 ? -3.536 -20.747 -3.732 1.00 92.62 ? 73 THR B CA 1 ATOM 1167 C C . THR B 1 34 ? -3.955 -19.306 -3.977 1.00 85.43 ? 73 THR B C 1 ATOM 1168 O O . THR B 1 34 ? -3.401 -18.387 -3.383 1.00 88.01 ? 73 THR B O 1 ATOM 1169 C CB . THR B 1 34 ? -2.524 -21.174 -4.812 1.00 94.36 ? 73 THR B CB 1 ATOM 1170 O OG1 . THR B 1 34 ? -3.154 -21.135 -6.101 1.00 98.72 ? 73 THR B OG1 1 ATOM 1171 C CG2 . THR B 1 34 ? -2.001 -22.583 -4.532 1.00 94.14 ? 73 THR B CG2 1 ATOM 1172 N N . ASP B 1 35 ? -4.938 -19.121 -4.850 1.00 82.15 ? 74 ASP B N 1 ATOM 1173 C CA . ASP B 1 35 ? -5.530 -17.807 -5.080 1.00 86.07 ? 74 ASP B CA 1 ATOM 1174 C C . ASP B 1 35 ? -6.254 -17.290 -3.842 1.00 83.02 ? 74 ASP B C 1 ATOM 1175 O O . ASP B 1 35 ? -6.199 -16.098 -3.528 1.00 91.27 ? 74 ASP B O 1 ATOM 1176 C CB . ASP B 1 35 ? -6.491 -17.842 -6.267 1.00 93.71 ? 74 ASP B CB 1 ATOM 1177 C CG . ASP B 1 35 ? -5.788 -18.154 -7.588 1.00 104.76 ? 74 ASP B CG 1 ATOM 1178 O OD1 . ASP B 1 35 ? -4.575 -18.456 -7.568 1.00 106.33 ? 74 ASP B OD1 1 ATOM 1179 O OD2 . ASP B 1 35 ? -6.453 -18.112 -8.648 1.00 107.92 ? 74 ASP B OD2 1 ATOM 1180 N N . ALA B 1 36 ? -6.926 -18.192 -3.135 1.00 78.03 ? 75 ALA B N 1 ATOM 1181 C CA . ALA B 1 36 ? -7.667 -17.823 -1.931 1.00 72.68 ? 75 ALA B CA 1 ATOM 1182 C C . ALA B 1 36 ? -6.722 -17.393 -0.807 1.00 65.39 ? 75 ALA B C 1 ATOM 1183 O O . ALA B 1 36 ? -6.962 -16.394 -0.133 1.00 64.95 ? 75 ALA B O 1 ATOM 1184 C CB . ALA B 1 36 ? -8.552 -18.977 -1.478 1.00 76.01 ? 75 ALA B CB 1 ATOM 1185 N N . GLU B 1 37 ? -5.651 -18.158 -0.614 1.00 57.90 ? 76 GLU B N 1 ATOM 1186 C CA . GLU B 1 37 ? -4.675 -17.886 0.425 1.00 66.13 ? 76 GLU B CA 1 ATOM 1187 C C . GLU B 1 37 ? -4.078 -16.516 0.196 1.00 71.50 ? 76 GLU B C 1 ATOM 1188 O O . GLU B 1 37 ? -3.881 -15.746 1.135 1.00 70.22 ? 76 GLU B O 1 ATOM 1189 C CB . GLU B 1 37 ? -3.558 -18.928 0.401 1.00 69.66 ? 76 GLU B CB 1 ATOM 1190 C CG . GLU B 1 37 ? -2.507 -18.760 1.491 1.00 84.44 ? 76 GLU B CG 1 ATOM 1191 C CD . GLU B 1 37 ? -1.550 -19.946 1.573 1.00 98.25 ? 76 GLU B CD 1 ATOM 1192 O OE1 . GLU B 1 37 ? -1.281 -20.440 2.697 1.00 106.07 ? 76 GLU B OE1 1 ATOM 1193 O OE2 . GLU B 1 37 ? -1.070 -20.397 0.509 1.00 104.95 ? 76 GLU B OE2 1 ATOM 1194 N N . LEU B 1 38 ? -3.800 -16.233 -1.073 1.00 74.77 ? 77 LEU B N 1 ATOM 1195 C CA . LEU B 1 38 ? -3.178 -14.999 -1.475 1.00 77.37 ? 77 LEU B CA 1 ATOM 1196 C C . LEU B 1 38 ? -4.023 -13.811 -1.033 1.00 75.87 ? 77 LEU B C 1 ATOM 1197 O O . LEU B 1 38 ? -3.511 -12.854 -0.450 1.00 86.10 ? 77 LEU B O 1 ATOM 1198 C CB . LEU B 1 38 ? -2.946 -14.994 -2.984 1.00 83.08 ? 77 LEU B CB 1 ATOM 1199 C CG . LEU B 1 38 ? -1.651 -14.259 -3.380 1.00 86.52 ? 77 LEU B CG 1 ATOM 1200 C CD1 . LEU B 1 38 ? -0.491 -14.557 -2.430 1.00 86.06 ? 77 LEU B CD1 1 ATOM 1201 C CD2 . LEU B 1 38 ? -1.253 -14.566 -4.816 1.00 80.34 ? 77 LEU B CD2 1 ATOM 1202 N N . GLN B 1 39 ? -5.322 -13.890 -1.269 1.00 65.48 ? 78 GLN B N 1 ATOM 1203 C CA . GLN B 1 39 ? -6.223 -12.838 -0.837 1.00 62.89 ? 78 GLN B CA 1 ATOM 1204 C C . GLN B 1 39 ? -6.409 -12.791 0.684 1.00 62.05 ? 78 GLN B C 1 ATOM 1205 O O . GLN B 1 39 ? -6.535 -11.719 1.262 1.00 66.66 ? 78 GLN B O 1 ATOM 1206 C CB . GLN B 1 39 ? -7.562 -12.990 -1.553 1.00 70.47 ? 78 GLN B CB 1 ATOM 1207 C CG . GLN B 1 39 ? -8.372 -11.707 -1.636 1.00 74.89 ? 78 GLN B CG 1 ATOM 1208 C CD . GLN B 1 39 ? -9.109 -11.604 -2.950 1.00 78.40 ? 78 GLN B CD 1 ATOM 1209 O OE1 . GLN B 1 39 ? -8.541 -11.865 -4.018 1.00 84.94 ? 78 GLN B OE1 1 ATOM 1210 N NE2 . GLN B 1 39 ? -10.373 -11.221 -2.887 1.00 76.05 ? 78 GLN B NE2 1 ATOM 1211 N N . LEU B 1 40 ? -6.418 -13.950 1.336 1.00 60.87 ? 79 LEU B N 1 ATOM 1212 C CA . LEU B 1 40 ? -6.547 -14.024 2.805 1.00 54.19 ? 79 LEU B CA 1 ATOM 1213 C C . LEU B 1 40 ? -5.413 -13.349 3.563 1.00 53.49 ? 79 LEU B C 1 ATOM 1214 O O . LEU B 1 40 ? -5.627 -12.776 4.637 1.00 49.41 ? 79 LEU B O 1 ATOM 1215 C CB . LEU B 1 40 ? -6.569 -15.474 3.268 1.00 53.33 ? 79 LEU B CB 1 ATOM 1216 C CG . LEU B 1 40 ? -7.876 -16.141 3.610 1.00 51.08 ? 79 LEU B CG 1 ATOM 1217 C CD1 . LEU B 1 40 ? -7.516 -17.556 3.983 1.00 47.49 ? 79 LEU B CD1 1 ATOM 1218 C CD2 . LEU B 1 40 ? -8.536 -15.428 4.767 1.00 51.53 ? 79 LEU B CD2 1 ATOM 1219 N N . THR B 1 41 ? -4.201 -13.440 3.020 1.00 50.68 ? 80 THR B N 1 ATOM 1220 C CA . THR B 1 41 ? -3.047 -12.889 3.707 1.00 49.87 ? 80 THR B CA 1 ATOM 1221 C C . THR B 1 41 ? -3.153 -11.384 3.821 1.00 44.16 ? 80 THR B C 1 ATOM 1222 O O . THR B 1 41 ? -2.563 -10.806 4.711 1.00 51.48 ? 80 THR B O 1 ATOM 1223 C CB . THR B 1 41 ? -1.721 -13.276 3.038 1.00 50.60 ? 80 THR B CB 1 ATOM 1224 O OG1 . THR B 1 41 ? -1.707 -12.784 1.701 1.00 61.37 ? 80 THR B OG1 1 ATOM 1225 C CG2 . THR B 1 41 ? -1.570 -14.764 3.008 1.00 52.87 ? 80 THR B CG2 1 ATOM 1226 N N . THR B 1 42 ? -3.933 -10.762 2.948 1.00 43.62 ? 81 THR B N 1 ATOM 1227 C CA . THR B 1 42 ? -4.102 -9.321 2.980 1.00 45.79 ? 81 THR B CA 1 ATOM 1228 C C . THR B 1 42 ? -4.819 -8.892 4.231 1.00 44.63 ? 81 THR B C 1 ATOM 1229 O O . THR B 1 42 ? -4.815 -7.715 4.570 1.00 50.60 ? 81 THR B O 1 ATOM 1230 C CB . THR B 1 42 ? -4.853 -8.764 1.741 1.00 46.65 ? 81 THR B CB 1 ATOM 1231 O OG1 . THR B 1 42 ? -6.235 -9.120 1.813 1.00 54.02 ? 81 THR B OG1 1 ATOM 1232 C CG2 . THR B 1 42 ? -4.259 -9.297 0.465 1.00 45.56 ? 81 THR B CG2 1 ATOM 1233 N N . PHE B 1 43 ? -5.431 -9.845 4.919 1.00 43.13 ? 82 PHE B N 1 ATOM 1234 C CA . PHE B 1 43 ? -6.163 -9.558 6.144 1.00 40.03 ? 82 PHE B CA 1 ATOM 1235 C C . PHE B 1 43 ? -5.363 -9.803 7.391 1.00 37.69 ? 82 PHE B C 1 ATOM 1236 O O . PHE B 1 43 ? -5.854 -9.531 8.472 1.00 38.37 ? 82 PHE B O 1 ATOM 1237 C CB . PHE B 1 43 ? -7.415 -10.432 6.246 1.00 43.33 ? 82 PHE B CB 1 ATOM 1238 C CG . PHE B 1 43 ? -8.524 -10.002 5.343 1.00 45.43 ? 82 PHE B CG 1 ATOM 1239 C CD1 . PHE B 1 43 ? -9.383 -8.980 5.727 1.00 43.22 ? 82 PHE B CD1 1 ATOM 1240 C CD2 . PHE B 1 43 ? -8.714 -10.621 4.110 1.00 47.32 ? 82 PHE B CD2 1 ATOM 1241 C CE1 . PHE B 1 43 ? -10.412 -8.581 4.896 1.00 46.82 ? 82 PHE B CE1 1 ATOM 1242 C CE2 . PHE B 1 43 ? -9.743 -10.226 3.268 1.00 46.85 ? 82 PHE B CE2 1 ATOM 1243 C CZ . PHE B 1 43 ? -10.593 -9.200 3.670 1.00 48.06 ? 82 PHE B CZ 1 ATOM 1244 N N . THR B 1 44 ? -4.153 -10.340 7.259 1.00 37.41 ? 83 THR B N 1 ATOM 1245 C CA . THR B 1 44 ? -3.373 -10.741 8.415 1.00 40.35 ? 83 THR B CA 1 ATOM 1246 C C . THR B 1 44 ? -3.078 -9.559 9.340 1.00 39.77 ? 83 THR B C 1 ATOM 1247 O O . THR B 1 44 ? -3.106 -9.738 10.564 1.00 39.62 ? 83 THR B O 1 ATOM 1248 C CB . THR B 1 44 ? -2.061 -11.533 8.055 1.00 48.75 ? 83 THR B CB 1 ATOM 1249 O OG1 . THR B 1 44 ? -1.116 -10.688 7.396 1.00 50.02 ? 83 THR B OG1 1 ATOM 1250 C CG2 . THR B 1 44 ? -2.352 -12.710 7.162 1.00 43.78 ? 83 THR B CG2 1 ATOM 1251 N N . PRO B 1 45 ? -2.830 -8.340 8.776 1.00 41.15 ? 84 PRO B N 1 ATOM 1252 C CA . PRO B 1 45 ? -2.735 -7.187 9.684 1.00 40.70 ? 84 PRO B CA 1 ATOM 1253 C C . PRO B 1 45 ? -3.974 -7.001 10.563 1.00 43.53 ? 84 PRO B C 1 ATOM 1254 O O . PRO B 1 45 ? -3.835 -6.788 11.766 1.00 45.25 ? 84 PRO B O 1 ATOM 1255 C CB . PRO B 1 45 ? -2.577 -6.000 8.716 1.00 38.27 ? 84 PRO B CB 1 ATOM 1256 C CG . PRO B 1 45 ? -1.863 -6.581 7.566 1.00 38.06 ? 84 PRO B CG 1 ATOM 1257 C CD . PRO B 1 45 ? -2.510 -7.930 7.389 1.00 37.50 ? 84 PRO B CD 1 ATOM 1258 N N . LEU B 1 46 ? -5.167 -7.072 9.962 1.00 45.04 ? 85 LEU B N 1 ATOM 1259 C CA . LEU B 1 46 ? -6.438 -6.887 10.679 1.00 40.95 ? 85 LEU B CA 1 ATOM 1260 C C . LEU B 1 46 ? -6.657 -7.975 11.719 1.00 40.57 ? 85 LEU B C 1 ATOM 1261 O O . LEU B 1 46 ? -7.191 -7.712 12.800 1.00 43.00 ? 85 LEU B O 1 ATOM 1262 C CB . LEU B 1 46 ? -7.609 -6.853 9.703 1.00 38.44 ? 85 LEU B CB 1 ATOM 1263 C CG . LEU B 1 46 ? -8.868 -6.159 10.234 1.00 41.61 ? 85 LEU B CG 1 ATOM 1264 C CD1 . LEU B 1 46 ? -8.612 -4.741 10.738 1.00 41.04 ? 85 LEU B CD1 1 ATOM 1265 C CD2 . LEU B 1 46 ? -9.941 -6.168 9.155 1.00 42.55 ? 85 LEU B CD2 1 ATOM 1266 N N . ILE B 1 47 ? -6.233 -9.192 11.394 1.00 38.10 ? 86 ILE B N 1 ATOM 1267 C CA . ILE B 1 47 ? -6.337 -10.310 12.322 1.00 38.01 ? 86 ILE B CA 1 ATOM 1268 C C . ILE B 1 47 ? -5.432 -10.025 13.517 1.00 40.04 ? 86 ILE B C 1 ATOM 1269 O O . ILE B 1 47 ? -5.830 -10.174 14.674 1.00 39.64 ? 86 ILE B O 1 ATOM 1270 C CB . ILE B 1 47 ? -5.963 -11.631 11.625 1.00 38.69 ? 86 ILE B CB 1 ATOM 1271 C CG1 . ILE B 1 47 ? -7.079 -12.029 10.642 1.00 37.98 ? 86 ILE B CG1 1 ATOM 1272 C CG2 . ILE B 1 47 ? -5.683 -12.738 12.645 1.00 40.14 ? 86 ILE B CG2 1 ATOM 1273 C CD1 . ILE B 1 47 ? -6.660 -13.042 9.609 1.00 34.49 ? 86 ILE B CD1 1 ATOM 1274 N N . GLN B 1 48 ? -4.220 -9.569 13.219 1.00 39.92 ? 87 GLN B N 1 ATOM 1275 C CA . GLN B 1 48 ? -3.233 -9.236 14.236 1.00 40.48 ? 87 GLN B CA 1 ATOM 1276 C C . GLN B 1 48 ? -3.758 -8.174 15.204 1.00 36.43 ? 87 GLN B C 1 ATOM 1277 O O . GLN B 1 48 ? -3.538 -8.258 16.402 1.00 36.29 ? 87 GLN B O 1 ATOM 1278 C CB . GLN B 1 48 ? -1.964 -8.722 13.554 1.00 44.70 ? 87 GLN B CB 1 ATOM 1279 C CG . GLN B 1 48 ? -0.838 -8.470 14.519 1.00 62.56 ? 87 GLN B CG 1 ATOM 1280 C CD . GLN B 1 48 ? -0.193 -9.757 14.960 1.00 70.67 ? 87 GLN B CD 1 ATOM 1281 O OE1 . GLN B 1 48 ? -0.032 -10.692 14.161 1.00 75.16 ? 87 GLN B OE1 1 ATOM 1282 N NE2 . GLN B 1 48 ? 0.174 -9.824 16.233 1.00 77.43 ? 87 GLN B NE2 1 ATOM 1283 N N . TYR B 1 49 ? -4.435 -7.173 14.658 1.00 36.37 ? 88 TYR B N 1 ATOM 1284 C CA . TYR B 1 49 ? -5.020 -6.088 15.423 1.00 37.51 ? 88 TYR B CA 1 ATOM 1285 C C . TYR B 1 49 ? -6.002 -6.590 16.495 1.00 43.29 ? 88 TYR B C 1 ATOM 1286 O O . TYR B 1 49 ? -6.011 -6.080 17.616 1.00 51.05 ? 88 TYR B O 1 ATOM 1287 C CB . TYR B 1 49 ? -5.696 -5.090 14.482 1.00 39.27 ? 88 TYR B CB 1 ATOM 1288 C CG . TYR B 1 49 ? -6.378 -3.931 15.196 1.00 46.18 ? 88 TYR B CG 1 ATOM 1289 C CD1 . TYR B 1 49 ? -7.682 -4.053 15.688 1.00 44.58 ? 88 TYR B CD1 1 ATOM 1290 C CD2 . TYR B 1 49 ? -5.723 -2.724 15.395 1.00 48.82 ? 88 TYR B CD2 1 ATOM 1291 C CE1 . TYR B 1 49 ? -8.299 -3.015 16.352 1.00 49.14 ? 88 TYR B CE1 1 ATOM 1292 C CE2 . TYR B 1 49 ? -6.343 -1.670 16.057 1.00 48.50 ? 88 TYR B CE2 1 ATOM 1293 C CZ . TYR B 1 49 ? -7.626 -1.825 16.542 1.00 50.26 ? 88 TYR B CZ 1 ATOM 1294 O OH . TYR B 1 49 ? -8.273 -0.795 17.204 1.00 55.77 ? 88 TYR B OH 1 ATOM 1295 N N . GLY B 1 50 ? -6.813 -7.595 16.168 1.00 47.61 ? 89 GLY B N 1 ATOM 1296 C CA . GLY B 1 50 ? -7.676 -8.240 17.171 1.00 45.71 ? 89 GLY B CA 1 ATOM 1297 C C . GLY B 1 50 ? -8.910 -7.448 17.566 1.00 48.27 ? 89 GLY B C 1 ATOM 1298 O O . GLY B 1 50 ? -9.212 -7.313 18.752 1.00 56.55 ? 89 GLY B O 1 ATOM 1299 N N . CYS B 1 51 ? -9.612 -6.915 16.576 1.00 50.50 ? 90 CYS B N 1 ATOM 1300 C CA . CYS B 1 51 ? -10.889 -6.230 16.783 1.00 56.00 ? 90 CYS B CA 1 ATOM 1301 C C . CYS B 1 51 ? -12.015 -7.230 17.082 1.00 55.36 ? 90 CYS B C 1 ATOM 1302 O O . CYS B 1 51 ? -12.974 -6.893 17.753 1.00 60.54 ? 90 CYS B O 1 ATOM 1303 C CB . CYS B 1 51 ? -11.262 -5.353 15.564 1.00 55.83 ? 90 CYS B CB 1 ATOM 1304 S SG . CYS B 1 51 ? -10.902 -6.042 13.915 1.00 65.10 ? 90 CYS B SG 1 ATOM 1305 N N . SER B 1 52 ? -11.901 -8.449 16.560 1.00 56.98 ? 91 SER B N 1 ATOM 1306 C CA . SER B 1 52 ? -12.857 -9.523 16.842 1.00 55.81 ? 91 SER B CA 1 ATOM 1307 C C . SER B 1 52 ? -12.154 -10.862 16.850 1.00 53.26 ? 91 SER B C 1 ATOM 1308 O O . SER B 1 52 ? -11.432 -11.192 15.921 1.00 55.79 ? 91 SER B O 1 ATOM 1309 C CB . SER B 1 52 ? -13.984 -9.545 15.799 1.00 62.62 ? 91 SER B CB 1 ATOM 1310 O OG . SER B 1 52 ? -14.514 -10.852 15.634 1.00 69.17 ? 91 SER B OG 1 ATOM 1311 N N . SER B 1 53 ? -12.384 -11.645 17.894 1.00 54.43 ? 92 SER B N 1 ATOM 1312 C CA . SER B 1 53 ? -11.790 -12.973 18.022 1.00 55.40 ? 92 SER B CA 1 ATOM 1313 C C . SER B 1 53 ? -12.280 -13.908 16.916 1.00 58.37 ? 92 SER B C 1 ATOM 1314 O O . SER B 1 53 ? -11.668 -14.943 16.635 1.00 59.34 ? 92 SER B O 1 ATOM 1315 C CB . SER B 1 53 ? -12.134 -13.569 19.389 1.00 58.96 ? 92 SER B CB 1 ATOM 1316 O OG . SER B 1 53 ? -13.542 -13.762 19.518 1.00 61.77 ? 92 SER B OG 1 ATOM 1317 N N . GLN B 1 54 ? -13.386 -13.540 16.286 1.00 51.49 ? 93 GLN B N 1 ATOM 1318 C CA . GLN B 1 54 ? -14.005 -14.402 15.292 1.00 57.52 ? 93 GLN B CA 1 ATOM 1319 C C . GLN B 1 54 ? -13.573 -14.092 13.866 1.00 55.10 ? 93 GLN B C 1 ATOM 1320 O O . GLN B 1 54 ? -13.955 -14.813 12.934 1.00 50.83 ? 93 GLN B O 1 ATOM 1321 C CB . GLN B 1 54 ? -15.526 -14.257 15.359 1.00 61.35 ? 93 GLN B CB 1 ATOM 1322 C CG . GLN B 1 54 ? -16.158 -14.693 16.669 1.00 63.33 ? 93 GLN B CG 1 ATOM 1323 C CD . GLN B 1 54 ? -17.666 -14.587 16.612 1.00 64.99 ? 93 GLN B CD 1 ATOM 1324 O OE1 . GLN B 1 54 ? -18.231 -13.485 16.550 1.00 67.18 ? 93 GLN B OE1 1 ATOM 1325 N NE2 . GLN B 1 54 ? -18.330 -15.736 16.594 1.00 64.99 ? 93 GLN B NE2 1 ATOM 1326 N N . LEU B 1 55 ? -12.813 -13.009 13.690 1.00 48.69 ? 94 LEU B N 1 ATOM 1327 C CA . LEU B 1 55 ? -12.448 -12.543 12.359 1.00 44.22 ? 94 LEU B CA 1 ATOM 1328 C C . LEU B 1 55 ? -11.780 -13.634 11.539 1.00 41.76 ? 94 LEU B C 1 ATOM 1329 O O . LEU B 1 55 ? -12.136 -13.855 10.381 1.00 42.92 ? 94 LEU B O 1 ATOM 1330 C CB . LEU B 1 55 ? -11.558 -11.291 12.432 1.00 39.26 ? 94 LEU B CB 1 ATOM 1331 C CG . LEU B 1 55 ? -11.056 -10.805 11.065 1.00 40.83 ? 94 LEU B CG 1 ATOM 1332 C CD1 . LEU B 1 55 ? -12.189 -10.515 10.086 1.00 39.32 ? 94 LEU B CD1 1 ATOM 1333 C CD2 . LEU B 1 55 ? -10.119 -9.600 11.172 1.00 43.81 ? 94 LEU B CD2 1 ATOM 1334 N N . GLN B 1 56 ? -10.811 -14.310 12.137 1.00 44.56 ? 95 GLN B N 1 ATOM 1335 C CA . GLN B 1 56 ? -10.068 -15.324 11.406 1.00 47.21 ? 95 GLN B CA 1 ATOM 1336 C C . GLN B 1 56 ? -10.970 -16.446 10.924 1.00 46.78 ? 95 GLN B C 1 ATOM 1337 O O . GLN B 1 56 ? -10.920 -16.832 9.751 1.00 44.42 ? 95 GLN B O 1 ATOM 1338 C CB . GLN B 1 56 ? -8.929 -15.892 12.232 1.00 48.09 ? 95 GLN B CB 1 ATOM 1339 C CG . GLN B 1 56 ? -8.029 -16.764 11.389 1.00 55.35 ? 95 GLN B CG 1 ATOM 1340 C CD . GLN B 1 56 ? -6.604 -16.824 11.908 1.00 64.10 ? 95 GLN B CD 1 ATOM 1341 O OE1 . GLN B 1 56 ? -6.312 -16.472 13.058 1.00 72.87 ? 95 GLN B OE1 1 ATOM 1342 N NE2 . GLN B 1 56 ? -5.706 -17.283 11.059 1.00 66.83 ? 95 GLN B NE2 1 ATOM 1343 N N . PHE B 1 57 ? -11.800 -16.966 11.822 1.00 47.49 ? 96 PHE B N 1 ATOM 1344 C CA . PHE B 1 57 ? -12.712 -18.034 11.455 1.00 47.22 ? 96 PHE B CA 1 ATOM 1345 C C . PHE B 1 57 ? -13.674 -17.567 10.365 1.00 47.70 ? 96 PHE B C 1 ATOM 1346 O O . PHE B 1 57 ? -13.895 -18.272 9.386 1.00 46.78 ? 96 PHE B O 1 ATOM 1347 C CB . PHE B 1 57 ? -13.496 -18.527 12.667 1.00 52.15 ? 96 PHE B CB 1 ATOM 1348 C CG . PHE B 1 57 ? -14.478 -19.599 12.334 1.00 52.32 ? 96 PHE B CG 1 ATOM 1349 C CD1 . PHE B 1 57 ? -14.065 -20.922 12.224 1.00 55.00 ? 96 PHE B CD1 1 ATOM 1350 C CD2 . PHE B 1 57 ? -15.803 -19.288 12.079 1.00 51.02 ? 96 PHE B CD2 1 ATOM 1351 C CE1 . PHE B 1 57 ? -14.973 -21.921 11.904 1.00 51.14 ? 96 PHE B CE1 1 ATOM 1352 C CE2 . PHE B 1 57 ? -16.709 -20.278 11.745 1.00 48.71 ? 96 PHE B CE2 1 ATOM 1353 C CZ . PHE B 1 57 ? -16.293 -21.593 11.655 1.00 48.13 ? 96 PHE B CZ 1 ATOM 1354 N N . PHE B 1 58 ? -14.229 -16.368 10.528 1.00 46.60 ? 97 PHE B N 1 ATOM 1355 C CA . PHE B 1 58 ? -15.172 -15.831 9.558 1.00 44.45 ? 97 PHE B CA 1 ATOM 1356 C C . PHE B 1 58 ? -14.554 -15.733 8.166 1.00 45.68 ? 97 PHE B C 1 ATOM 1357 O O . PHE B 1 58 ? -15.184 -16.070 7.170 1.00 47.94 ? 97 PHE B O 1 ATOM 1358 C CB . PHE B 1 58 ? -15.685 -14.467 10.002 1.00 43.22 ? 97 PHE B CB 1 ATOM 1359 C CG . PHE B 1 58 ? -16.377 -13.712 8.911 1.00 47.88 ? 97 PHE B CG 1 ATOM 1360 C CD1 . PHE B 1 58 ? -17.637 -14.098 8.472 1.00 50.46 ? 97 PHE B CD1 1 ATOM 1361 C CD2 . PHE B 1 58 ? -15.759 -12.624 8.295 1.00 47.41 ? 97 PHE B CD2 1 ATOM 1362 C CE1 . PHE B 1 58 ? -18.277 -13.407 7.449 1.00 52.39 ? 97 PHE B CE1 1 ATOM 1363 C CE2 . PHE B 1 58 ? -16.390 -11.929 7.272 1.00 47.06 ? 97 PHE B CE2 1 ATOM 1364 C CZ . PHE B 1 58 ? -17.652 -12.320 6.846 1.00 51.18 ? 97 PHE B CZ 1 ATOM 1365 N N . LEU B 1 59 ? -13.316 -15.267 8.091 1.00 44.02 ? 98 LEU B N 1 ATOM 1366 C CA . LEU B 1 59 ? -12.645 -15.131 6.808 1.00 40.06 ? 98 LEU B CA 1 ATOM 1367 C C . LEU B 1 59 ? -12.388 -16.477 6.167 1.00 42.26 ? 98 LEU B C 1 ATOM 1368 O O . LEU B 1 59 ? -12.605 -16.652 4.966 1.00 43.12 ? 98 LEU B O 1 ATOM 1369 C CB . LEU B 1 59 ? -11.328 -14.391 6.977 1.00 39.01 ? 98 LEU B CB 1 ATOM 1370 C CG . LEU B 1 59 ? -11.437 -12.923 7.340 1.00 41.11 ? 98 LEU B CG 1 ATOM 1371 C CD1 . LEU B 1 59 ? -10.056 -12.364 7.637 1.00 38.27 ? 98 LEU B CD1 1 ATOM 1372 C CD2 . LEU B 1 59 ? -12.135 -12.132 6.239 1.00 36.79 ? 98 LEU B CD2 1 ATOM 1373 N N . CYS B 1 60 ? -11.904 -17.427 6.962 1.00 43.84 ? 99 CYS B N 1 ATOM 1374 C CA . CYS B 1 60 ? -11.657 -18.785 6.475 1.00 49.10 ? 99 CYS B CA 1 ATOM 1375 C C . CYS B 1 60 ? -12.954 -19.419 5.963 1.00 52.76 ? 99 CYS B C 1 ATOM 1376 O O . CYS B 1 60 ? -12.968 -20.091 4.930 1.00 52.92 ? 99 CYS B O 1 ATOM 1377 C CB . CYS B 1 60 ? -11.074 -19.650 7.594 1.00 53.22 ? 99 CYS B CB 1 ATOM 1378 S SG . CYS B 1 60 ? -9.340 -19.279 7.983 1.00 53.33 ? 99 CYS B SG 1 ATOM 1379 N N . SER B 1 61 ? -14.045 -19.179 6.684 1.00 47.25 ? 100 SER B N 1 ATOM 1380 C CA . SER B 1 61 ? -15.322 -19.750 6.344 1.00 48.30 ? 100 SER B CA 1 ATOM 1381 C C . SER B 1 61 ? -15.806 -19.216 4.994 1.00 50.92 ? 100 SER B C 1 ATOM 1382 O O . SER B 1 61 ? -16.591 -19.857 4.319 1.00 53.75 ? 100 SER B O 1 ATOM 1383 C CB . SER B 1 61 ? -16.331 -19.469 7.465 1.00 47.35 ? 100 SER B CB 1 ATOM 1384 O OG . SER B 1 61 ? -17.003 -18.236 7.279 1.00 47.64 ? 100 SER B OG 1 ATOM 1385 N N . VAL B 1 62 ? -15.318 -18.045 4.603 1.00 50.53 ? 101 VAL B N 1 ATOM 1386 C CA . VAL B 1 62 ? -15.655 -17.454 3.308 1.00 48.14 ? 101 VAL B CA 1 ATOM 1387 C C . VAL B 1 62 ? -14.696 -17.909 2.199 1.00 50.00 ? 101 VAL B C 1 ATOM 1388 O O . VAL B 1 62 ? -15.110 -18.247 1.088 1.00 52.84 ? 101 VAL B O 1 ATOM 1389 C CB . VAL B 1 62 ? -15.657 -15.915 3.386 1.00 47.32 ? 101 VAL B CB 1 ATOM 1390 C CG1 . VAL B 1 62 ? -15.742 -15.318 1.994 1.00 48.66 ? 101 VAL B CG1 1 ATOM 1391 C CG2 . VAL B 1 62 ? -16.812 -15.412 4.239 1.00 42.56 ? 101 VAL B CG2 1 ATOM 1392 N N . TYR B 1 63 ? -13.412 -17.936 2.503 1.00 45.69 ? 102 TYR B N 1 ATOM 1393 C CA . TYR B 1 63 ? -12.394 -18.207 1.495 1.00 49.02 ? 102 TYR B CA 1 ATOM 1394 C C . TYR B 1 63 ? -12.100 -19.671 1.313 1.00 48.36 ? 102 TYR B C 1 ATOM 1395 O O . TYR B 1 63 ? -11.638 -20.113 0.256 1.00 48.79 ? 102 TYR B O 1 ATOM 1396 C CB . TYR B 1 63 ? -11.098 -17.462 1.856 1.00 52.98 ? 102 TYR B CB 1 ATOM 1397 C CG . TYR B 1 63 ? -11.217 -16.006 1.530 1.00 58.15 ? 102 TYR B CG 1 ATOM 1398 C CD1 . TYR B 1 63 ? -11.860 -15.130 2.396 1.00 59.67 ? 102 TYR B CD1 1 ATOM 1399 C CD2 . TYR B 1 63 ? -10.720 -15.505 0.337 1.00 67.32 ? 102 TYR B CD2 1 ATOM 1400 C CE1 . TYR B 1 63 ? -11.992 -13.792 2.095 1.00 63.05 ? 102 TYR B CE1 1 ATOM 1401 C CE2 . TYR B 1 63 ? -10.844 -14.163 0.029 1.00 71.32 ? 102 TYR B CE2 1 ATOM 1402 C CZ . TYR B 1 63 ? -11.479 -13.316 0.913 1.00 68.21 ? 102 TYR B CZ 1 ATOM 1403 O OH . TYR B 1 63 ? -11.603 -11.987 0.621 1.00 75.56 ? 102 TYR B OH 1 ATOM 1404 N N . VAL B 1 64 ? -12.322 -20.428 2.370 1.00 47.10 ? 103 VAL B N 1 ATOM 1405 C CA . VAL B 1 64 ? -12.063 -21.856 2.337 1.00 48.59 ? 103 VAL B CA 1 ATOM 1406 C C . VAL B 1 64 ? -13.255 -22.527 3.073 1.00 49.29 ? 103 VAL B C 1 ATOM 1407 O O . VAL B 1 64 ? -13.103 -23.155 4.130 1.00 43.66 ? 103 VAL B O 1 ATOM 1408 C CB . VAL B 1 64 ? -10.617 -22.141 2.853 1.00 49.38 ? 103 VAL B CB 1 ATOM 1409 C CG1 . VAL B 1 64 ? -10.483 -22.008 4.352 1.00 48.18 ? 103 VAL B CG1 1 ATOM 1410 C CG2 . VAL B 1 64 ? -10.099 -23.482 2.391 1.00 54.41 ? 103 VAL B CG2 1 ATOM 1411 N N . PRO B 1 65 ? -14.465 -22.371 2.497 1.00 50.47 ? 104 PRO B N 1 ATOM 1412 C CA . PRO B 1 65 ? -15.725 -22.771 3.136 1.00 53.01 ? 104 PRO B CA 1 ATOM 1413 C C . PRO B 1 65 ? -15.788 -24.274 3.373 1.00 51.13 ? 104 PRO B C 1 ATOM 1414 O O . PRO B 1 65 ? -15.182 -25.039 2.625 1.00 51.82 ? 104 PRO B O 1 ATOM 1415 C CB . PRO B 1 65 ? -16.793 -22.342 2.120 1.00 48.40 ? 104 PRO B CB 1 ATOM 1416 C CG . PRO B 1 65 ? -16.083 -22.352 0.807 1.00 53.63 ? 104 PRO B CG 1 ATOM 1417 C CD . PRO B 1 65 ? -14.657 -21.976 1.088 1.00 51.38 ? 104 PRO B CD 1 ATOM 1418 N N . MET B 1 66 ? -16.514 -24.692 4.405 1.00 57.30 ? 105 MET B N 1 ATOM 1419 C CA . MET B 1 66 ? -16.583 -26.111 4.751 1.00 61.24 ? 105 MET B CA 1 ATOM 1420 C C . MET B 1 66 ? -17.223 -26.942 3.645 1.00 60.36 ? 105 MET B C 1 ATOM 1421 O O . MET B 1 66 ? -18.227 -26.545 3.053 1.00 53.79 ? 105 MET B O 1 ATOM 1422 C CB . MET B 1 66 ? -17.322 -26.329 6.072 1.00 61.51 ? 105 MET B CB 1 ATOM 1423 C CG . MET B 1 66 ? -17.672 -27.786 6.293 1.00 69.76 ? 105 MET B CG 1 ATOM 1424 S SD . MET B 1 66 ? -18.757 -28.020 7.702 1.00 75.26 ? 105 MET B SD 1 ATOM 1425 C CE . MET B 1 66 ? -17.556 -28.335 8.973 1.00 76.95 ? 105 MET B CE 1 ATOM 1426 N N . CYS B 1 67 ? -16.602 -28.078 3.359 1.00 63.95 ? 106 CYS B N 1 ATOM 1427 C CA . CYS B 1 67 ? -17.165 -29.068 2.466 1.00 72.37 ? 106 CYS B CA 1 ATOM 1428 C C . CYS B 1 67 ? -17.480 -30.314 3.275 1.00 74.73 ? 106 CYS B C 1 ATOM 1429 O O . CYS B 1 67 ? -16.784 -30.639 4.247 1.00 74.28 ? 106 CYS B O 1 ATOM 1430 C CB . CYS B 1 67 ? -16.182 -29.382 1.350 1.00 74.48 ? 106 CYS B CB 1 ATOM 1431 S SG . CYS B 1 67 ? -16.704 -30.632 0.161 1.00 89.19 ? 106 CYS B SG 1 ATOM 1432 N N . THR B 1 68 ? -18.557 -30.986 2.895 1.00 78.13 ? 107 THR B N 1 ATOM 1433 C CA . THR B 1 68 ? -18.888 -32.280 3.479 1.00 79.23 ? 107 THR B CA 1 ATOM 1434 C C . THR B 1 68 ? -19.468 -33.166 2.381 1.00 75.36 ? 107 THR B C 1 ATOM 1435 O O . THR B 1 68 ? -20.024 -32.651 1.401 1.00 70.65 ? 107 THR B O 1 ATOM 1436 C CB . THR B 1 68 ? -19.838 -32.129 4.673 1.00 80.16 ? 107 THR B CB 1 ATOM 1437 O OG1 . THR B 1 68 ? -19.620 -33.206 5.589 1.00 93.32 ? 107 THR B OG1 1 ATOM 1438 C CG2 . THR B 1 68 ? -21.263 -32.127 4.221 1.00 82.90 ? 107 THR B CG2 1 ATOM 1439 N N . GLU B 1 69 ? -19.291 -34.479 2.513 1.00 78.97 ? 108 GLU B N 1 ATOM 1440 C CA . GLU B 1 69 ? -19.779 -35.421 1.507 1.00 83.30 ? 108 GLU B CA 1 ATOM 1441 C C . GLU B 1 69 ? -21.289 -35.377 1.284 1.00 74.32 ? 108 GLU B C 1 ATOM 1442 O O . GLU B 1 69 ? -21.746 -35.476 0.149 1.00 76.52 ? 108 GLU B O 1 ATOM 1443 C CB . GLU B 1 69 ? -19.315 -36.831 1.846 1.00 92.86 ? 108 GLU B CB 1 ATOM 1444 C CG . GLU B 1 69 ? -17.808 -36.921 2.010 1.00 105.29 ? 108 GLU B CG 1 ATOM 1445 C CD . GLU B 1 69 ? -17.078 -36.907 0.676 1.00 113.73 ? 108 GLU B CD 1 ATOM 1446 O OE1 . GLU B 1 69 ? -17.400 -37.749 -0.189 1.00 113.96 ? 108 GLU B OE1 1 ATOM 1447 O OE2 . GLU B 1 69 ? -16.182 -36.054 0.491 1.00 123.02 ? 108 GLU B OE2 1 ATOM 1448 N N . LYS B 1 70 ? -22.054 -35.196 2.354 1.00 71.71 ? 109 LYS B N 1 ATOM 1449 C CA . LYS B 1 70 ? -23.508 -35.210 2.258 1.00 73.47 ? 109 LYS B CA 1 ATOM 1450 C C . LYS B 1 70 ? -24.085 -33.979 1.561 1.00 71.41 ? 109 LYS B C 1 ATOM 1451 O O . LYS B 1 70 ? -25.230 -34.000 1.106 1.00 75.09 ? 109 LYS B O 1 ATOM 1452 C CB . LYS B 1 70 ? -24.142 -35.346 3.642 1.00 76.88 ? 109 LYS B CB 1 ATOM 1453 C CG . LYS B 1 70 ? -23.738 -36.586 4.423 1.00 82.99 ? 109 LYS B CG 1 ATOM 1454 C CD . LYS B 1 70 ? -24.495 -36.639 5.750 1.00 89.88 ? 109 LYS B CD 1 ATOM 1455 C CE . LYS B 1 70 ? -23.821 -37.541 6.776 1.00 94.37 ? 109 LYS B CE 1 ATOM 1456 N NZ . LYS B 1 70 ? -23.720 -38.956 6.318 1.00 94.15 ? 109 LYS B NZ 1 ATOM 1457 N N . ILE B 1 71 ? -23.307 -32.904 1.489 1.00 69.87 ? 110 ILE B N 1 ATOM 1458 C CA . ILE B 1 71 ? -23.815 -31.629 0.975 1.00 68.88 ? 110 ILE B CA 1 ATOM 1459 C C . ILE B 1 71 ? -23.000 -31.167 -0.227 1.00 67.90 ? 110 ILE B C 1 ATOM 1460 O O . ILE B 1 71 ? -21.776 -31.174 -0.182 1.00 68.28 ? 110 ILE B O 1 ATOM 1461 C CB . ILE B 1 71 ? -23.808 -30.553 2.076 1.00 67.79 ? 110 ILE B CB 1 ATOM 1462 C CG1 . ILE B 1 71 ? -24.681 -31.000 3.247 1.00 72.23 ? 110 ILE B CG1 1 ATOM 1463 C CG2 . ILE B 1 71 ? -24.322 -29.227 1.550 1.00 66.29 ? 110 ILE B CG2 1 ATOM 1464 C CD1 . ILE B 1 71 ? -24.252 -30.441 4.588 1.00 76.97 ? 110 ILE B CD1 1 ATOM 1465 N N . ASN B 1 72 ? -23.675 -30.780 -1.305 1.00 68.17 ? 111 ASN B N 1 ATOM 1466 C CA . ASN B 1 72 ? -22.955 -30.322 -2.487 1.00 78.42 ? 111 ASN B CA 1 ATOM 1467 C C . ASN B 1 72 ? -22.908 -28.799 -2.674 1.00 78.48 ? 111 ASN B C 1 ATOM 1468 O O . ASN B 1 72 ? -22.568 -28.318 -3.757 1.00 83.17 ? 111 ASN B O 1 ATOM 1469 C CB . ASN B 1 72 ? -23.375 -31.064 -3.782 1.00 82.45 ? 111 ASN B CB 1 ATOM 1470 C CG . ASN B 1 72 ? -24.864 -31.027 -4.035 1.00 91.92 ? 111 ASN B CG 1 ATOM 1471 O OD1 . ASN B 1 72 ? -25.356 -30.258 -4.873 1.00 104.24 ? 111 ASN B OD1 1 ATOM 1472 N ND2 . ASN B 1 72 ? -25.595 -31.868 -3.321 1.00 94.63 ? 111 ASN B ND2 1 ATOM 1473 N N . ILE B 1 73 ? -23.257 -28.040 -1.639 1.00 71.16 ? 112 ILE B N 1 ATOM 1474 C CA . ILE B 1 73 ? -22.934 -26.619 -1.641 1.00 67.44 ? 112 ILE B CA 1 ATOM 1475 C C . ILE B 1 73 ? -21.842 -26.361 -0.606 1.00 67.68 ? 112 ILE B C 1 ATOM 1476 O O . ILE B 1 73 ? -21.764 -27.078 0.396 1.00 62.41 ? 112 ILE B O 1 ATOM 1477 C CB . ILE B 1 73 ? -24.145 -25.699 -1.376 1.00 67.30 ? 112 ILE B CB 1 ATOM 1478 C CG1 . ILE B 1 73 ? -24.766 -25.992 -0.009 1.00 71.28 ? 112 ILE B CG1 1 ATOM 1479 C CG2 . ILE B 1 73 ? -25.147 -25.767 -2.526 1.00 67.82 ? 112 ILE B CG2 1 ATOM 1480 C CD1 . ILE B 1 73 ? -25.843 -25.012 0.414 1.00 74.60 ? 112 ILE B CD1 1 ATOM 1481 N N . PRO B 1 74 ? -20.979 -25.349 -0.855 1.00 66.10 ? 113 PRO B N 1 ATOM 1482 C CA . PRO B 1 74 ? -19.995 -24.910 0.134 1.00 58.55 ? 113 PRO B CA 1 ATOM 1483 C C . PRO B 1 74 ? -20.709 -24.324 1.350 1.00 54.15 ? 113 PRO B C 1 ATOM 1484 O O . PRO B 1 74 ? -21.680 -23.600 1.196 1.00 52.61 ? 113 PRO B O 1 ATOM 1485 C CB . PRO B 1 74 ? -19.209 -23.836 -0.622 1.00 63.05 ? 113 PRO B CB 1 ATOM 1486 C CG . PRO B 1 74 ? -20.159 -23.341 -1.661 1.00 64.78 ? 113 PRO B CG 1 ATOM 1487 C CD . PRO B 1 74 ? -20.870 -24.576 -2.106 1.00 66.06 ? 113 PRO B CD 1 ATOM 1488 N N . ILE B 1 75 ? -20.260 -24.661 2.549 1.00 53.82 ? 114 ILE B N 1 ATOM 1489 C CA . ILE B 1 75 ? -20.933 -24.178 3.750 1.00 56.91 ? 114 ILE B CA 1 ATOM 1490 C C . ILE B 1 75 ? -20.145 -23.020 4.368 1.00 59.61 ? 114 ILE B C 1 ATOM 1491 O O . ILE B 1 75 ? -19.020 -23.188 4.856 1.00 52.84 ? 114 ILE B O 1 ATOM 1492 C CB . ILE B 1 75 ? -21.122 -25.299 4.804 1.00 60.32 ? 114 ILE B CB 1 ATOM 1493 C CG1 . ILE B 1 75 ? -21.785 -26.545 4.191 1.00 64.13 ? 114 ILE B CG1 1 ATOM 1494 C CG2 . ILE B 1 75 ? -21.889 -24.778 6.016 1.00 58.25 ? 114 ILE B CG2 1 ATOM 1495 C CD1 . ILE B 1 75 ? -22.984 -26.241 3.318 1.00 69.93 ? 114 ILE B CD1 1 ATOM 1496 N N . GLY B 1 76 ? -20.756 -21.846 4.357 1.00 61.80 ? 115 GLY B N 1 ATOM 1497 C CA . GLY B 1 76 ? -20.083 -20.652 4.808 1.00 61.43 ? 115 GLY B CA 1 ATOM 1498 C C . GLY B 1 76 ? -20.584 -20.178 6.150 1.00 63.80 ? 115 GLY B C 1 ATOM 1499 O O . GLY B 1 76 ? -21.198 -20.949 6.903 1.00 68.51 ? 115 GLY B O 1 ATOM 1500 N N . PRO B 1 77 ? -20.320 -18.900 6.458 1.00 60.05 ? 116 PRO B N 1 ATOM 1501 C CA . PRO B 1 77 ? -20.663 -18.293 7.732 1.00 58.27 ? 116 PRO B CA 1 ATOM 1502 C C . PRO B 1 77 ? -22.142 -17.907 7.777 1.00 60.05 ? 116 PRO B C 1 ATOM 1503 O O . PRO B 1 77 ? -22.758 -17.666 6.732 1.00 56.76 ? 116 PRO B O 1 ATOM 1504 C CB . PRO B 1 77 ? -19.795 -17.030 7.745 1.00 54.51 ? 116 PRO B CB 1 ATOM 1505 C CG . PRO B 1 77 ? -19.723 -16.639 6.308 1.00 50.76 ? 116 PRO B CG 1 ATOM 1506 C CD . PRO B 1 77 ? -19.705 -17.924 5.531 1.00 55.93 ? 116 PRO B CD 1 ATOM 1507 N N . CYS B 1 78 ? -22.706 -17.859 8.976 1.00 59.67 ? 117 CYS B N 1 ATOM 1508 C CA . CYS B 1 78 ? -24.022 -17.276 9.129 1.00 67.87 ? 117 CYS B CA 1 ATOM 1509 C C . CYS B 1 78 ? -23.906 -15.747 9.146 1.00 68.16 ? 117 CYS B C 1 ATOM 1510 O O . CYS B 1 78 ? -22.930 -15.191 9.653 1.00 66.88 ? 117 CYS B O 1 ATOM 1511 C CB . CYS B 1 78 ? -24.719 -17.815 10.381 1.00 75.30 ? 117 CYS B CB 1 ATOM 1512 S SG . CYS B 1 78 ? -25.060 -19.615 10.371 1.00 92.51 ? 117 CYS B SG 1 ATOM 1513 N N . GLY B 1 79 ? -24.899 -15.079 8.565 1.00 66.86 ? 118 GLY B N 1 ATOM 1514 C CA . GLY B 1 79 ? -24.949 -13.622 8.506 1.00 60.51 ? 118 GLY B CA 1 ATOM 1515 C C . GLY B 1 79 ? -24.862 -12.947 9.861 1.00 65.33 ? 118 GLY B C 1 ATOM 1516 O O . GLY B 1 79 ? -24.504 -11.777 9.957 1.00 70.11 ? 118 GLY B O 1 ATOM 1517 N N . GLY B 1 80 ? -25.191 -13.680 10.916 1.00 66.92 ? 119 GLY B N 1 ATOM 1518 C CA . GLY B 1 80 ? -25.149 -13.130 12.259 1.00 67.13 ? 119 GLY B CA 1 ATOM 1519 C C . GLY B 1 80 ? -23.721 -12.897 12.694 1.00 69.37 ? 119 GLY B C 1 ATOM 1520 O O . GLY B 1 80 ? -23.377 -11.829 13.207 1.00 70.40 ? 119 GLY B O 1 ATOM 1521 N N . MET B 1 81 ? -22.887 -13.909 12.488 1.00 69.02 ? 120 MET B N 1 ATOM 1522 C CA . MET B 1 81 ? -21.473 -13.793 12.795 1.00 66.91 ? 120 MET B CA 1 ATOM 1523 C C . MET B 1 81 ? -20.849 -12.703 11.935 1.00 65.40 ? 120 MET B C 1 ATOM 1524 O O . MET B 1 81 ? -20.030 -11.916 12.413 1.00 64.52 ? 120 MET B O 1 ATOM 1525 C CB . MET B 1 81 ? -20.761 -15.116 12.569 1.00 66.86 ? 120 MET B CB 1 ATOM 1526 C CG . MET B 1 81 ? -19.258 -14.976 12.428 1.00 71.09 ? 120 MET B CG 1 ATOM 1527 S SD . MET B 1 81 ? -18.469 -16.541 12.073 1.00 73.60 ? 120 MET B SD 1 ATOM 1528 C CE . MET B 1 81 ? -17.639 -16.816 13.640 1.00 75.42 ? 120 MET B CE 1 ATOM 1529 N N . CYS B 1 82 ? -21.254 -12.651 10.671 1.00 64.38 ? 121 CYS B N 1 ATOM 1530 C CA . CYS B 1 82 ? -20.748 -11.639 9.765 1.00 62.04 ? 121 CYS B CA 1 ATOM 1531 C C . CYS B 1 82 ? -21.007 -10.250 10.315 1.00 62.63 ? 121 CYS B C 1 ATOM 1532 O O . CYS B 1 82 ? -20.126 -9.394 10.276 1.00 68.97 ? 121 CYS B O 1 ATOM 1533 C CB . CYS B 1 82 ? -21.370 -11.783 8.390 1.00 59.22 ? 121 CYS B CB 1 ATOM 1534 S SG . CYS B 1 82 ? -20.806 -10.529 7.223 1.00 69.74 ? 121 CYS B SG 1 ATOM 1535 N N . LEU B 1 83 ? -22.216 -10.027 10.824 1.00 61.64 ? 122 LEU B N 1 ATOM 1536 C CA . LEU B 1 83 ? -22.594 -8.726 11.366 1.00 58.26 ? 122 LEU B CA 1 ATOM 1537 C C . LEU B 1 83 ? -21.802 -8.418 12.616 1.00 56.42 ? 122 LEU B C 1 ATOM 1538 O O . LEU B 1 83 ? -21.337 -7.293 12.794 1.00 54.43 ? 122 LEU B O 1 ATOM 1539 C CB . LEU B 1 83 ? -24.085 -8.678 11.685 1.00 59.43 ? 122 LEU B CB 1 ATOM 1540 C CG . LEU B 1 83 ? -25.037 -8.495 10.500 1.00 65.46 ? 122 LEU B CG 1 ATOM 1541 C CD1 . LEU B 1 83 ? -26.478 -8.733 10.932 1.00 61.10 ? 122 LEU B CD1 1 ATOM 1542 C CD2 . LEU B 1 83 ? -24.870 -7.130 9.847 1.00 62.70 ? 122 LEU B CD2 1 ATOM 1543 N N . SER B 1 84 ? -21.651 -9.424 13.476 1.00 51.31 ? 123 SER B N 1 ATOM 1544 C CA . SER B 1 84 ? -20.878 -9.283 14.692 1.00 51.36 ? 123 SER B CA 1 ATOM 1545 C C . SER B 1 84 ? -19.443 -8.833 14.358 1.00 58.45 ? 123 SER B C 1 ATOM 1546 O O . SER B 1 84 ? -18.904 -7.906 14.968 1.00 61.65 ? 123 SER B O 1 ATOM 1547 C CB . SER B 1 84 ? -20.862 -10.600 15.447 1.00 51.76 ? 123 SER B CB 1 ATOM 1548 O OG . SER B 1 84 ? -20.149 -10.477 16.657 1.00 63.52 ? 123 SER B OG 1 ATOM 1549 N N . VAL B 1 85 ? -18.843 -9.490 13.368 1.00 60.76 ? 124 VAL B N 1 ATOM 1550 C CA . VAL B 1 85 ? -17.476 -9.195 12.942 1.00 57.72 ? 124 VAL B CA 1 ATOM 1551 C C . VAL B 1 85 ? -17.368 -7.810 12.302 1.00 56.33 ? 124 VAL B C 1 ATOM 1552 O O . VAL B 1 85 ? -16.458 -7.041 12.620 1.00 51.14 ? 124 VAL B O 1 ATOM 1553 C CB . VAL B 1 85 ? -16.934 -10.286 11.992 1.00 51.23 ? 124 VAL B CB 1 ATOM 1554 C CG1 . VAL B 1 85 ? -15.648 -9.839 11.332 1.00 50.37 ? 124 VAL B CG1 1 ATOM 1555 C CG2 . VAL B 1 85 ? -16.697 -11.575 12.762 1.00 49.94 ? 124 VAL B CG2 1 ATOM 1556 N N . LYS B 1 86 ? -18.302 -7.499 11.409 1.00 58.91 ? 125 LYS B N 1 ATOM 1557 C CA . LYS B 1 86 ? -18.339 -6.190 10.762 1.00 58.43 ? 125 LYS B CA 1 ATOM 1558 C C . LYS B 1 86 ? -18.494 -5.058 11.762 1.00 60.83 ? 125 LYS B C 1 ATOM 1559 O O . LYS B 1 86 ? -17.876 -3.998 11.619 1.00 63.10 ? 125 LYS B O 1 ATOM 1560 C CB . LYS B 1 86 ? -19.471 -6.114 9.746 1.00 60.90 ? 125 LYS B CB 1 ATOM 1561 C CG . LYS B 1 86 ? -19.423 -4.826 8.944 1.00 68.77 ? 125 LYS B CG 1 ATOM 1562 C CD . LYS B 1 86 ? -20.431 -4.827 7.820 1.00 72.45 ? 125 LYS B CD 1 ATOM 1563 C CE . LYS B 1 86 ? -21.627 -3.959 8.166 1.00 75.20 ? 125 LYS B CE 1 ATOM 1564 N NZ . LYS B 1 86 ? -21.573 -2.670 7.425 1.00 82.90 ? 125 LYS B NZ 1 ATOM 1565 N N . ARG B 1 87 ? -19.331 -5.284 12.766 1.00 63.06 ? 126 ARG B N 1 ATOM 1566 C CA . ARG B 1 87 ? -19.609 -4.279 13.789 1.00 69.70 ? 126 ARG B CA 1 ATOM 1567 C C . ARG B 1 87 ? -18.299 -3.819 14.441 1.00 67.03 ? 126 ARG B C 1 ATOM 1568 O O . ARG B 1 87 ? -18.061 -2.626 14.643 1.00 63.50 ? 126 ARG B O 1 ATOM 1569 C CB . ARG B 1 87 ? -20.551 -4.860 14.858 1.00 75.16 ? 126 ARG B CB 1 ATOM 1570 C CG . ARG B 1 87 ? -21.399 -3.818 15.588 1.00 84.18 ? 126 ARG B CG 1 ATOM 1571 C CD . ARG B 1 87 ? -21.633 -4.178 17.057 1.00 97.46 ? 126 ARG B CD 1 ATOM 1572 N NE . ARG B 1 87 ? -22.202 -5.516 17.229 1.00 109.77 ? 126 ARG B NE 1 ATOM 1573 C CZ . ARG B 1 87 ? -22.126 -6.233 18.349 1.00 117.89 ? 126 ARG B CZ 1 ATOM 1574 N NH1 . ARG B 1 87 ? -21.491 -5.758 19.415 1.00 120.05 ? 126 ARG B NH1 1 ATOM 1575 N NH2 . ARG B 1 87 ? -22.674 -7.441 18.400 1.00 119.31 ? 126 ARG B NH2 1 ATOM 1576 N N . ARG B 1 88 ? -17.440 -4.782 14.745 1.00 65.14 ? 127 ARG B N 1 ATOM 1577 C CA . ARG B 1 88 ? -16.190 -4.504 15.423 1.00 62.85 ? 127 ARG B CA 1 ATOM 1578 C C . ARG B 1 88 ? -15.060 -4.034 14.505 1.00 61.10 ? 127 ARG B C 1 ATOM 1579 O O . ARG B 1 88 ? -14.299 -3.130 14.855 1.00 66.82 ? 127 ARG B O 1 ATOM 1580 C CB . ARG B 1 88 ? -15.761 -5.733 16.194 1.00 63.83 ? 127 ARG B CB 1 ATOM 1581 C CG . ARG B 1 88 ? -16.700 -6.075 17.327 1.00 69.50 ? 127 ARG B CG 1 ATOM 1582 C CD . ARG B 1 88 ? -16.900 -7.577 17.412 1.00 82.91 ? 127 ARG B CD 1 ATOM 1583 N NE . ARG B 1 88 ? -16.573 -8.092 18.735 1.00 90.24 ? 127 ARG B NE 1 ATOM 1584 C CZ . ARG B 1 88 ? -17.447 -8.226 19.734 1.00 95.69 ? 127 ARG B CZ 1 ATOM 1585 N NH1 . ARG B 1 88 ? -18.725 -7.885 19.576 1.00 87.18 ? 127 ARG B NH1 1 ATOM 1586 N NH2 . ARG B 1 88 ? -17.035 -8.703 20.900 1.00 102.43 ? 127 ARG B NH2 1 ATOM 1587 N N . CYS B 1 89 ? -14.951 -4.635 13.328 1.00 58.57 ? 128 CYS B N 1 ATOM 1588 C CA . CYS B 1 89 ? -13.801 -4.394 12.463 1.00 58.90 ? 128 CYS B CA 1 ATOM 1589 C C . CYS B 1 89 ? -13.923 -3.227 11.473 1.00 58.12 ? 128 CYS B C 1 ATOM 1590 O O . CYS B 1 89 ? -12.931 -2.550 11.198 1.00 58.05 ? 128 CYS B O 1 ATOM 1591 C CB . CYS B 1 89 ? -13.336 -5.703 11.801 1.00 60.98 ? 128 CYS B CB 1 ATOM 1592 S SG . CYS B 1 89 ? -12.635 -6.905 13.017 1.00 73.63 ? 128 CYS B SG 1 ATOM 1593 N N . GLU B 1 90 ? -15.120 -2.978 10.946 1.00 58.18 ? 129 GLU B N 1 ATOM 1594 C CA . GLU B 1 90 ? -15.324 -1.845 10.022 1.00 56.98 ? 129 GLU B CA 1 ATOM 1595 C C . GLU B 1 90 ? -14.902 -0.466 10.547 1.00 54.70 ? 129 GLU B C 1 ATOM 1596 O O . GLU B 1 90 ? -14.305 0.302 9.799 1.00 55.49 ? 129 GLU B O 1 ATOM 1597 C CB . GLU B 1 90 ? -16.757 -1.775 9.523 1.00 62.82 ? 129 GLU B CB 1 ATOM 1598 C CG . GLU B 1 90 ? -16.936 -0.822 8.344 1.00 68.82 ? 129 GLU B CG 1 ATOM 1599 C CD . GLU B 1 90 ? -18.398 -0.623 7.961 1.00 76.48 ? 129 GLU B CD 1 ATOM 1600 O OE1 . GLU B 1 90 ? -18.652 -0.225 6.797 1.00 72.83 ? 129 GLU B OE1 1 ATOM 1601 O OE2 . GLU B 1 90 ? -19.288 -0.869 8.819 1.00 73.67 ? 129 GLU B OE2 1 ATOM 1602 N N . PRO B 1 91 ? -15.203 -0.137 11.820 1.00 52.04 ? 130 PRO B N 1 ATOM 1603 C CA . PRO B 1 91 ? -14.703 1.167 12.332 1.00 51.36 ? 130 PRO B CA 1 ATOM 1604 C C . PRO B 1 91 ? -13.179 1.295 12.230 1.00 53.47 ? 130 PRO B C 1 ATOM 1605 O O . PRO B 1 91 ? -12.658 2.374 11.921 1.00 51.25 ? 130 PRO B O 1 ATOM 1606 C CB . PRO B 1 91 ? -15.103 1.160 13.816 1.00 51.25 ? 130 PRO B CB 1 ATOM 1607 C CG . PRO B 1 91 ? -16.211 0.159 13.935 1.00 52.36 ? 130 PRO B CG 1 ATOM 1608 C CD . PRO B 1 91 ? -16.031 -0.846 12.818 1.00 54.53 ? 130 PRO B CD 1 ATOM 1609 N N . VAL B 1 92 ? -12.476 0.188 12.485 1.00 50.05 ? 131 VAL B N 1 ATOM 1610 C CA . VAL B 1 92 ? -11.030 0.155 12.391 1.00 43.76 ? 131 VAL B CA 1 ATOM 1611 C C . VAL B 1 92 ? -10.591 0.378 10.947 1.00 45.03 ? 131 VAL B C 1 ATOM 1612 O O . VAL B 1 92 ? -9.682 1.171 10.681 1.00 43.13 ? 131 VAL B O 1 ATOM 1613 C CB . VAL B 1 92 ? -10.468 -1.181 12.905 1.00 44.59 ? 131 VAL B CB 1 ATOM 1614 C CG1 . VAL B 1 92 ? -8.953 -1.225 12.755 1.00 39.76 ? 131 VAL B CG1 1 ATOM 1615 C CG2 . VAL B 1 92 ? -10.905 -1.427 14.343 1.00 43.05 ? 131 VAL B CG2 1 ATOM 1616 N N . LEU B 1 93 ? -11.242 -0.310 10.011 1.00 45.52 ? 132 LEU B N 1 ATOM 1617 C CA . LEU B 1 93 ? -10.926 -0.134 8.593 1.00 48.60 ? 132 LEU B CA 1 ATOM 1618 C C . LEU B 1 93 ? -11.116 1.311 8.142 1.00 52.55 ? 132 LEU B C 1 ATOM 1619 O O . LEU B 1 93 ? -10.272 1.870 7.426 1.00 51.18 ? 132 LEU B O 1 ATOM 1620 C CB . LEU B 1 93 ? -11.764 -1.076 7.724 1.00 49.38 ? 132 LEU B CB 1 ATOM 1621 C CG . LEU B 1 93 ? -11.336 -2.544 7.741 1.00 51.43 ? 132 LEU B CG 1 ATOM 1622 C CD1 . LEU B 1 93 ? -12.388 -3.430 7.104 1.00 49.84 ? 132 LEU B CD1 1 ATOM 1623 C CD2 . LEU B 1 93 ? -9.979 -2.739 7.077 1.00 49.56 ? 132 LEU B CD2 1 ATOM 1624 N N . LYS B 1 94 ? -12.215 1.915 8.582 1.00 54.60 ? 133 LYS B N 1 ATOM 1625 C CA . LYS B 1 94 ? -12.583 3.232 8.098 1.00 58.87 ? 133 LYS B CA 1 ATOM 1626 C C . LYS B 1 94 ? -11.537 4.269 8.499 1.00 54.60 ? 133 LYS B C 1 ATOM 1627 O O . LYS B 1 94 ? -11.126 5.096 7.667 1.00 50.95 ? 133 LYS B O 1 ATOM 1628 C CB . LYS B 1 94 ? -13.987 3.621 8.576 1.00 64.87 ? 133 LYS B CB 1 ATOM 1629 C CG . LYS B 1 94 ? -15.077 2.701 8.037 1.00 77.99 ? 133 LYS B CG 1 ATOM 1630 C CD . LYS B 1 94 ? -16.477 3.307 8.213 1.00 88.06 ? 133 LYS B CD 1 ATOM 1631 C CE . LYS B 1 94 ? -16.819 4.358 7.155 1.00 92.25 ? 133 LYS B CE 1 ATOM 1632 N NZ . LYS B 1 94 ? -16.964 3.804 5.770 1.00 91.31 ? 133 LYS B NZ 1 ATOM 1633 N N . GLU B 1 95 ? -11.074 4.200 9.749 1.00 49.20 ? 134 GLU B N 1 ATOM 1634 C CA . GLU B 1 95 ? -10.087 5.158 10.215 1.00 46.68 ? 134 GLU B CA 1 ATOM 1635 C C . GLU B 1 95 ? -8.759 5.065 9.484 1.00 47.82 ? 134 GLU B C 1 ATOM 1636 O O . GLU B 1 95 ? -7.966 5.994 9.543 1.00 56.50 ? 134 GLU B O 1 ATOM 1637 C CB . GLU B 1 95 ? -9.930 5.127 11.735 1.00 52.52 ? 134 GLU B CB 1 ATOM 1638 C CG . GLU B 1 95 ? -9.622 3.791 12.374 1.00 64.00 ? 134 GLU B CG 1 ATOM 1639 C CD . GLU B 1 95 ? -9.829 3.825 13.892 1.00 80.18 ? 134 GLU B CD 1 ATOM 1640 O OE1 . GLU B 1 95 ? -9.422 2.861 14.602 1.00 81.74 ? 134 GLU B OE1 1 ATOM 1641 O OE2 . GLU B 1 95 ? -10.411 4.826 14.379 1.00 78.56 ? 134 GLU B OE2 1 ATOM 1642 N N . PHE B 1 96 ? -8.519 3.959 8.774 1.00 51.44 ? 135 PHE B N 1 ATOM 1643 C CA . PHE B 1 96 ? -7.321 3.816 7.934 1.00 48.75 ? 135 PHE B CA 1 ATOM 1644 C C . PHE B 1 96 ? -7.537 4.095 6.470 1.00 55.69 ? 135 PHE B C 1 ATOM 1645 O O . PHE B 1 96 ? -6.618 3.897 5.664 1.00 61.46 ? 135 PHE B O 1 ATOM 1646 C CB . PHE B 1 96 ? -6.665 2.448 8.117 1.00 46.32 ? 135 PHE B CB 1 ATOM 1647 C CG . PHE B 1 96 ? -5.923 2.354 9.392 1.00 44.73 ? 135 PHE B CG 1 ATOM 1648 C CD1 . PHE B 1 96 ? -4.616 2.847 9.478 1.00 39.35 ? 135 PHE B CD1 1 ATOM 1649 C CD2 . PHE B 1 96 ? -6.561 1.890 10.538 1.00 40.80 ? 135 PHE B CD2 1 ATOM 1650 C CE1 . PHE B 1 96 ? -3.948 2.855 10.680 1.00 41.04 ? 135 PHE B CE1 1 ATOM 1651 C CE2 . PHE B 1 96 ? -5.896 1.893 11.751 1.00 44.97 ? 135 PHE B CE2 1 ATOM 1652 C CZ . PHE B 1 96 ? -4.586 2.376 11.823 1.00 44.48 ? 135 PHE B CZ 1 ATOM 1653 N N . GLY B 1 97 ? -8.736 4.553 6.119 1.00 57.38 ? 136 GLY B N 1 ATOM 1654 C CA . GLY B 1 97 ? -9.047 4.853 4.727 1.00 60.63 ? 136 GLY B CA 1 ATOM 1655 C C . GLY B 1 97 ? -9.424 3.645 3.880 1.00 65.40 ? 136 GLY B C 1 ATOM 1656 O O . GLY B 1 97 ? -9.409 3.731 2.653 1.00 66.90 ? 136 GLY B O 1 ATOM 1657 N N . PHE B 1 98 ? -9.748 2.525 4.527 1.00 65.39 ? 137 PHE B N 1 ATOM 1658 C CA . PHE B 1 98 ? -10.330 1.375 3.851 1.00 60.53 ? 137 PHE B CA 1 ATOM 1659 C C . PHE B 1 98 ? -11.811 1.248 4.193 1.00 61.16 ? 137 PHE B C 1 ATOM 1660 O O . PHE B 1 98 ? -12.358 2.014 4.996 1.00 61.39 ? 137 PHE B O 1 ATOM 1661 C CB . PHE B 1 98 ? -9.628 0.084 4.261 1.00 62.85 ? 137 PHE B CB 1 ATOM 1662 C CG . PHE B 1 98 ? -8.184 0.008 3.862 1.00 66.65 ? 137 PHE B CG 1 ATOM 1663 C CD1 . PHE B 1 98 ? -7.197 0.490 4.714 1.00 61.44 ? 137 PHE B CD1 1 ATOM 1664 C CD2 . PHE B 1 98 ? -7.801 -0.600 2.656 1.00 66.82 ? 137 PHE B CD2 1 ATOM 1665 C CE1 . PHE B 1 98 ? -5.855 0.387 4.375 1.00 63.47 ? 137 PHE B CE1 1 ATOM 1666 C CE2 . PHE B 1 98 ? -6.458 -0.701 2.307 1.00 65.99 ? 137 PHE B CE2 1 ATOM 1667 C CZ . PHE B 1 98 ? -5.481 -0.202 3.167 1.00 65.37 ? 137 PHE B CZ 1 ATOM 1668 N N . ALA B 1 99 ? -12.460 0.271 3.571 1.00 63.42 ? 138 ALA B N 1 ATOM 1669 C CA . ALA B 1 99 ? -13.866 0.002 3.857 1.00 68.14 ? 138 ALA B CA 1 ATOM 1670 C C . ALA B 1 99 ? -14.122 -1.499 4.029 1.00 63.56 ? 138 ALA B C 1 ATOM 1671 O O . ALA B 1 99 ? -13.278 -2.328 3.667 1.00 56.51 ? 138 ALA B O 1 ATOM 1672 C CB . ALA B 1 99 ? -14.743 0.585 2.759 1.00 65.20 ? 138 ALA B CB 1 ATOM 1673 N N . TRP B 1 100 ? -15.273 -1.839 4.600 1.00 60.81 ? 139 TRP B N 1 ATOM 1674 C CA . TRP B 1 100 ? -15.719 -3.227 4.636 1.00 62.49 ? 139 TRP B CA 1 ATOM 1675 C C . TRP B 1 100 ? -15.901 -3.721 3.202 1.00 60.29 ? 139 TRP B C 1 ATOM 1676 O O . TRP B 1 100 ? -16.701 -3.161 2.454 1.00 65.97 ? 139 TRP B O 1 ATOM 1677 C CB . TRP B 1 100 ? -17.020 -3.357 5.420 1.00 59.40 ? 139 TRP B CB 1 ATOM 1678 C CG . TRP B 1 100 ? -17.392 -4.769 5.690 1.00 60.30 ? 139 TRP B CG 1 ATOM 1679 C CD1 . TRP B 1 100 ? -18.426 -5.467 5.135 1.00 63.07 ? 139 TRP B CD1 1 ATOM 1680 C CD2 . TRP B 1 100 ? -16.731 -5.674 6.579 1.00 61.01 ? 139 TRP B CD2 1 ATOM 1681 N NE1 . TRP B 1 100 ? -18.462 -6.744 5.636 1.00 60.12 ? 139 TRP B NE1 1 ATOM 1682 C CE2 . TRP B 1 100 ? -17.432 -6.902 6.522 1.00 60.04 ? 139 TRP B CE2 1 ATOM 1683 C CE3 . TRP B 1 100 ? -15.620 -5.565 7.429 1.00 55.89 ? 139 TRP B CE3 1 ATOM 1684 C CZ2 . TRP B 1 100 ? -17.060 -8.012 7.278 1.00 58.49 ? 139 TRP B CZ2 1 ATOM 1685 C CZ3 . TRP B 1 100 ? -15.254 -6.665 8.189 1.00 54.69 ? 139 TRP B CZ3 1 ATOM 1686 C CH2 . TRP B 1 100 ? -15.971 -7.880 8.103 1.00 56.08 ? 139 TRP B CH2 1 ATOM 1687 N N . PRO B 1 101 ? -15.132 -4.743 2.800 1.00 59.49 ? 140 PRO B N 1 ATOM 1688 C CA . PRO B 1 101 ? -15.169 -5.141 1.388 1.00 64.10 ? 140 PRO B CA 1 ATOM 1689 C C . PRO B 1 101 ? -16.531 -5.705 0.962 1.00 66.17 ? 140 PRO B C 1 ATOM 1690 O O . PRO B 1 101 ? -17.224 -6.333 1.772 1.00 60.73 ? 140 PRO B O 1 ATOM 1691 C CB . PRO B 1 101 ? -14.066 -6.197 1.265 1.00 61.18 ? 140 PRO B CB 1 ATOM 1692 C CG . PRO B 1 101 ? -13.672 -6.556 2.650 1.00 60.06 ? 140 PRO B CG 1 ATOM 1693 C CD . PRO B 1 101 ? -14.161 -5.512 3.598 1.00 60.32 ? 140 PRO B CD 1 ATOM 1694 N N . GLU B 1 102 ? -16.900 -5.451 -0.293 1.00 71.63 ? 141 GLU B N 1 ATOM 1695 C CA . GLU B 1 102 ? -18.176 -5.897 -0.855 1.00 79.08 ? 141 GLU B CA 1 ATOM 1696 C C . GLU B 1 102 ? -18.310 -7.411 -0.808 1.00 75.89 ? 141 GLU B C 1 ATOM 1697 O O . GLU B 1 102 ? -19.363 -7.933 -0.429 1.00 66.06 ? 141 GLU B O 1 ATOM 1698 C CB . GLU B 1 102 ? -18.349 -5.408 -2.299 1.00 90.73 ? 141 GLU B CB 1 ATOM 1699 C CG . GLU B 1 102 ? -19.444 -4.365 -2.466 1.00 99.45 ? 141 GLU B CG 1 ATOM 1700 C CD . GLU B 1 102 ? -20.701 -4.710 -1.678 1.00 111.82 ? 141 GLU B CD 1 ATOM 1701 O OE1 . GLU B 1 102 ? -20.910 -4.099 -0.610 1.00 120.01 ? 141 GLU B OE1 1 ATOM 1702 O OE2 . GLU B 1 102 ? -21.478 -5.593 -2.112 1.00 114.25 ? 141 GLU B OE2 1 ATOM 1703 N N . SER B 1 103 ? -17.228 -8.104 -1.162 1.00 70.00 ? 142 SER B N 1 ATOM 1704 C CA . SER B 1 103 ? -17.204 -9.557 -1.160 1.00 68.07 ? 142 SER B CA 1 ATOM 1705 C C . SER B 1 103 ? -17.541 -10.152 0.214 1.00 66.87 ? 142 SER B C 1 ATOM 1706 O O . SER B 1 103 ? -17.855 -11.341 0.330 1.00 72.68 ? 142 SER B O 1 ATOM 1707 C CB . SER B 1 103 ? -15.856 -10.068 -1.652 1.00 66.14 ? 142 SER B CB 1 ATOM 1708 O OG . SER B 1 103 ? -14.876 -9.910 -0.654 1.00 71.62 ? 142 SER B OG 1 ATOM 1709 N N . LEU B 1 104 ? -17.477 -9.312 1.243 1.00 62.91 ? 143 LEU B N 1 ATOM 1710 C CA . LEU B 1 104 ? -17.953 -9.673 2.572 1.00 59.06 ? 143 LEU B CA 1 ATOM 1711 C C . LEU B 1 104 ? -19.285 -9.026 2.974 1.00 61.13 ? 143 LEU B C 1 ATOM 1712 O O . LEU B 1 104 ? -19.636 -9.050 4.168 1.00 61.43 ? 143 LEU B O 1 ATOM 1713 C CB . LEU B 1 104 ? -16.878 -9.388 3.638 1.00 59.70 ? 143 LEU B CB 1 ATOM 1714 C CG . LEU B 1 104 ? -15.524 -10.064 3.412 1.00 59.15 ? 143 LEU B CG 1 ATOM 1715 C CD1 . LEU B 1 104 ? -14.516 -9.668 4.481 1.00 57.56 ? 143 LEU B CD1 1 ATOM 1716 C CD2 . LEU B 1 104 ? -15.710 -11.569 3.387 1.00 59.62 ? 143 LEU B CD2 1 ATOM 1717 N N . ASN B 1 105 ? -20.033 -8.460 2.011 1.00 64.46 ? 144 ASN B N 1 ATOM 1718 C CA . ASN B 1 105 ? -21.401 -7.939 2.279 1.00 65.33 ? 144 ASN B CA 1 ATOM 1719 C C . ASN B 1 105 ? -22.158 -8.970 3.087 1.00 63.73 ? 144 ASN B C 1 ATOM 1720 O O . ASN B 1 105 ? -22.245 -10.120 2.674 1.00 67.70 ? 144 ASN B O 1 ATOM 1721 C CB . ASN B 1 105 ? -22.180 -7.631 0.976 1.00 72.17 ? 144 ASN B CB 1 ATOM 1722 C CG . ASN B 1 105 ? -23.553 -6.998 1.231 1.00 81.77 ? 144 ASN B CG 1 ATOM 1723 O OD1 . ASN B 1 105 ? -24.090 -7.061 2.354 1.00 78.98 ? 144 ASN B OD1 1 ATOM 1724 N ND2 . ASN B 1 105 ? -24.135 -6.431 0.156 1.00 95.58 ? 144 ASN B ND2 1 ATOM 1725 N N . CYS B 1 106 ? -22.691 -8.584 4.238 1.00 64.72 ? 145 CYS B N 1 ATOM 1726 C CA . CYS B 1 106 ? -23.309 -9.573 5.120 1.00 68.29 ? 145 CYS B CA 1 ATOM 1727 C C . CYS B 1 106 ? -24.638 -10.118 4.594 1.00 75.33 ? 145 CYS B C 1 ATOM 1728 O O . CYS B 1 106 ? -25.163 -11.105 5.120 1.00 73.89 ? 145 CYS B O 1 ATOM 1729 C CB . CYS B 1 106 ? -23.478 -9.027 6.541 1.00 71.30 ? 145 CYS B CB 1 ATOM 1730 S SG . CYS B 1 106 ? -21.961 -8.837 7.530 1.00 81.81 ? 145 CYS B SG 1 ATOM 1731 N N . SER B 1 107 ? -25.171 -9.479 3.557 1.00 78.64 ? 146 SER B N 1 ATOM 1732 C CA . SER B 1 107 ? -26.422 -9.913 2.940 1.00 81.75 ? 146 SER B CA 1 ATOM 1733 C C . SER B 1 107 ? -26.259 -11.215 2.172 1.00 84.91 ? 146 SER B C 1 ATOM 1734 O O . SER B 1 107 ? -27.198 -12.006 2.073 1.00 92.90 ? 146 SER B O 1 ATOM 1735 C CB . SER B 1 107 ? -26.966 -8.846 1.999 1.00 81.12 ? 146 SER B CB 1 ATOM 1736 O OG . SER B 1 107 ? -27.594 -7.792 2.714 1.00 81.82 ? 146 SER B OG 1 ATOM 1737 N N . LYS B 1 108 ? -25.067 -11.445 1.631 1.00 81.42 ? 147 LYS B N 1 ATOM 1738 C CA . LYS B 1 108 ? -24.876 -12.587 0.757 1.00 76.33 ? 147 LYS B CA 1 ATOM 1739 C C . LYS B 1 108 ? -24.742 -13.887 1.537 1.00 73.03 ? 147 LYS B C 1 ATOM 1740 O O . LYS B 1 108 ? -24.485 -14.946 0.964 1.00 75.42 ? 147 LYS B O 1 ATOM 1741 C CB . LYS B 1 108 ? -23.718 -12.360 -0.213 1.00 78.52 ? 147 LYS B CB 1 ATOM 1742 C CG . LYS B 1 108 ? -22.363 -12.086 0.404 1.00 79.52 ? 147 LYS B CG 1 ATOM 1743 C CD . LYS B 1 108 ? -21.356 -11.697 -0.669 1.00 83.56 ? 147 LYS B CD 1 ATOM 1744 C CE . LYS B 1 108 ? -20.952 -12.905 -1.501 1.00 86.31 ? 147 LYS B CE 1 ATOM 1745 N NZ . LYS B 1 108 ? -19.728 -12.685 -2.323 1.00 81.89 ? 147 LYS B NZ 1 ATOM 1746 N N . PHE B 1 109 ? -24.915 -13.800 2.847 1.00 67.66 ? 148 PHE B N 1 ATOM 1747 C CA . PHE B 1 109 ? -24.924 -14.987 3.686 1.00 69.17 ? 148 PHE B CA 1 ATOM 1748 C C . PHE B 1 109 ? -26.300 -15.224 4.289 1.00 73.79 ? 148 PHE B C 1 ATOM 1749 O O . PHE B 1 109 ? -27.035 -14.264 4.536 1.00 76.79 ? 148 PHE B O 1 ATOM 1750 C CB . PHE B 1 109 ? -23.872 -14.884 4.796 1.00 61.92 ? 148 PHE B CB 1 ATOM 1751 C CG . PHE B 1 109 ? -22.532 -14.445 4.302 1.00 61.20 ? 148 PHE B CG 1 ATOM 1752 C CD1 . PHE B 1 109 ? -21.781 -15.277 3.478 1.00 59.77 ? 148 PHE B CD1 1 ATOM 1753 C CD2 . PHE B 1 109 ? -22.022 -13.202 4.646 1.00 57.61 ? 148 PHE B CD2 1 ATOM 1754 C CE1 . PHE B 1 109 ? -20.544 -14.878 2.997 1.00 59.86 ? 148 PHE B CE1 1 ATOM 1755 C CE2 . PHE B 1 109 ? -20.788 -12.798 4.170 1.00 61.08 ? 148 PHE B CE2 1 ATOM 1756 C CZ . PHE B 1 109 ? -20.045 -13.637 3.346 1.00 58.35 ? 148 PHE B CZ 1 ATOM 1757 N N . PRO B 1 110 ? -26.654 -16.505 4.525 1.00 75.09 ? 149 PRO B N 1 ATOM 1758 C CA . PRO B 1 110 ? -27.897 -16.846 5.214 1.00 78.79 ? 149 PRO B CA 1 ATOM 1759 C C . PRO B 1 110 ? -27.893 -16.266 6.624 1.00 82.49 ? 149 PRO B C 1 ATOM 1760 O O . PRO B 1 110 ? -26.843 -16.230 7.244 1.00 82.24 ? 149 PRO B O 1 ATOM 1761 C CB . PRO B 1 110 ? -27.859 -18.380 5.267 1.00 79.39 ? 149 PRO B CB 1 ATOM 1762 C CG . PRO B 1 110 ? -26.424 -18.753 5.064 1.00 81.18 ? 149 PRO B CG 1 ATOM 1763 C CD . PRO B 1 110 ? -25.915 -17.714 4.110 1.00 75.98 ? 149 PRO B CD 1 ATOM 1764 N N . PRO B 1 111 ? -29.046 -15.773 7.124 1.00 86.93 ? 150 PRO B N 1 ATOM 1765 C CA . PRO B 1 111 ? -29.070 -15.156 8.480 1.00 86.77 ? 150 PRO B CA 1 ATOM 1766 C C . PRO B 1 111 ? -28.609 -16.009 9.707 1.00 89.71 ? 150 PRO B C 1 ATOM 1767 O O . PRO B 1 111 ? -27.805 -15.552 10.562 1.00 85.16 ? 150 PRO B O 1 ATOM 1768 C CB . PRO B 1 111 ? -30.539 -14.746 8.639 1.00 84.10 ? 150 PRO B CB 1 ATOM 1769 C CG . PRO B 1 111 ? -31.034 -14.537 7.254 1.00 84.96 ? 150 PRO B CG 1 ATOM 1770 C CD . PRO B 1 111 ? -30.185 -15.324 6.293 1.00 84.61 ? 150 PRO B CD 1 ATOM 1771 N N . GLN B 1 112 ? -29.139 -17.223 9.796 1.00 84.23 ? 151 GLN B N 1 ATOM 1772 C CA . GLN B 1 112 ? -28.830 -18.116 10.917 1.00 86.93 ? 151 GLN B CA 1 ATOM 1773 C C . GLN B 1 112 ? -28.878 -19.560 10.439 1.00 89.36 ? 151 GLN B C 1 ATOM 1774 O O . GLN B 1 112 ? -29.237 -19.821 9.290 1.00 88.57 ? 151 GLN B O 1 ATOM 1775 C CB . GLN B 1 112 ? -29.779 -17.900 12.109 1.00 91.66 ? 151 GLN B CB 1 ATOM 1776 C CG . GLN B 1 112 ? -31.156 -18.540 11.987 1.00 95.16 ? 151 GLN B CG 1 ATOM 1777 C CD . GLN B 1 112 ? -32.182 -17.545 11.498 1.00 100.46 ? 151 GLN B CD 1 ATOM 1778 O OE1 . GLN B 1 112 ? -32.169 -16.388 11.911 1.00 103.05 ? 151 GLN B OE1 1 ATOM 1779 N NE2 . GLN B 1 112 ? -33.062 -17.979 10.607 1.00 101.66 ? 151 GLN B NE2 1 ATOM 1780 N N . ASN B 1 113 ? -28.524 -20.515 11.289 1.00 89.96 ? 152 ASN B N 1 ATOM 1781 C CA . ASN B 1 113 ? -28.506 -21.872 10.780 1.00 94.00 ? 152 ASN B CA 1 ATOM 1782 C C . ASN B 1 113 ? -29.917 -22.438 10.795 1.00 106.20 ? 152 ASN B C 1 ATOM 1783 O O . ASN B 1 113 ? -30.402 -22.914 11.819 1.00 104.11 ? 152 ASN B O 1 ATOM 1784 C CB . ASN B 1 113 ? -27.519 -22.767 11.524 1.00 84.45 ? 152 ASN B CB 1 ATOM 1785 C CG . ASN B 1 113 ? -27.230 -24.070 10.780 1.00 80.03 ? 152 ASN B CG 1 ATOM 1786 O OD1 . ASN B 1 113 ? -27.510 -24.211 9.574 1.00 83.19 ? 152 ASN B OD1 1 ATOM 1787 N ND2 . ASN B 1 113 ? -26.666 -25.033 11.497 1.00 71.06 ? 152 ASN B ND2 1 ATOM 1788 N N . ASP B 1 114 ? -30.567 -22.357 9.639 1.00 115.46 ? 153 ASP B N 1 ATOM 1789 C CA . ASP B 1 114 ? -31.976 -22.717 9.489 1.00 118.24 ? 153 ASP B CA 1 ATOM 1790 C C . ASP B 1 114 ? -32.093 -24.203 9.237 1.00 123.32 ? 153 ASP B C 1 ATOM 1791 O O . ASP B 1 114 ? -31.097 -24.927 9.244 1.00 127.87 ? 153 ASP B O 1 ATOM 1792 C CB . ASP B 1 114 ? -32.600 -21.949 8.305 1.00 110.96 ? 153 ASP B CB 1 ATOM 1793 C CG . ASP B 1 114 ? -33.605 -20.903 8.737 1.00 104.95 ? 153 ASP B CG 1 ATOM 1794 O OD1 . ASP B 1 114 ? -33.675 -20.586 9.943 1.00 96.14 ? 153 ASP B OD1 1 ATOM 1795 O OD2 . ASP B 1 114 ? -34.331 -20.395 7.858 1.00 108.59 ? 153 ASP B OD2 1 ATOM 1796 N N . HIS B 1 115 ? -33.317 -24.659 9.020 1.00 125.65 ? 154 HIS B N 1 ATOM 1797 C CA . HIS B 1 115 ? -33.518 -25.942 8.378 1.00 130.14 ? 154 HIS B CA 1 ATOM 1798 C C . HIS B 1 115 ? -33.796 -25.629 6.915 1.00 126.38 ? 154 HIS B C 1 ATOM 1799 O O . HIS B 1 115 ? -34.073 -26.517 6.110 1.00 127.59 ? 154 HIS B O 1 ATOM 1800 C CB . HIS B 1 115 ? -34.644 -26.725 9.052 1.00 136.26 ? 154 HIS B CB 1 ATOM 1801 C CG . HIS B 1 115 ? -34.333 -27.110 10.465 1.00 144.87 ? 154 HIS B CG 1 ATOM 1802 N ND1 . HIS B 1 115 ? -34.955 -26.530 11.550 1.00 149.15 ? 154 HIS B ND1 1 ATOM 1803 C CD2 . HIS B 1 115 ? -33.434 -27.988 10.972 1.00 147.80 ? 154 HIS B CD2 1 ATOM 1804 C CE1 . HIS B 1 115 ? -34.466 -27.048 12.664 1.00 153.92 ? 154 HIS B CE1 1 ATOM 1805 N NE2 . HIS B 1 115 ? -33.542 -27.934 12.340 1.00 152.44 ? 154 HIS B NE2 1 ATOM 1806 N N . ASN B 1 116 ? -33.690 -24.343 6.586 1.00 122.00 ? 155 ASN B N 1 ATOM 1807 C CA . ASN B 1 116 ? -33.839 -23.851 5.226 1.00 117.10 ? 155 ASN B CA 1 ATOM 1808 C C . ASN B 1 116 ? -32.534 -23.370 4.567 1.00 110.78 ? 155 ASN B C 1 ATOM 1809 O O . ASN B 1 116 ? -32.484 -23.184 3.346 1.00 107.92 ? 155 ASN B O 1 ATOM 1810 C CB . ASN B 1 116 ? -34.886 -22.747 5.185 1.00 121.56 ? 155 ASN B CB 1 ATOM 1811 C CG . ASN B 1 116 ? -35.501 -22.596 3.817 1.00 127.13 ? 155 ASN B CG 1 ATOM 1812 O OD1 . ASN B 1 116 ? -35.363 -23.473 2.965 1.00 132.24 ? 155 ASN B OD1 1 ATOM 1813 N ND2 . ASN B 1 116 ? -36.191 -21.491 3.598 1.00 126.92 ? 155 ASN B ND2 1 ATOM 1814 N N . HIS B 1 117 ? -31.499 -23.134 5.374 1.00 104.87 ? 156 HIS B N 1 ATOM 1815 C CA . HIS B 1 117 ? -30.143 -22.886 4.869 1.00 100.24 ? 156 HIS B CA 1 ATOM 1816 C C . HIS B 1 117 ? -29.145 -23.342 5.922 1.00 97.91 ? 156 HIS B C 1 ATOM 1817 O O . HIS B 1 117 ? -29.391 -23.216 7.120 1.00 96.09 ? 156 HIS B O 1 ATOM 1818 C CB . HIS B 1 117 ? -29.869 -21.408 4.541 1.00 99.80 ? 156 HIS B CB 1 ATOM 1819 C CG . HIS B 1 117 ? -31.072 -20.518 4.604 1.00 105.05 ? 156 HIS B CG 1 ATOM 1820 N ND1 . HIS B 1 117 ? -31.619 -20.091 5.796 1.00 104.00 ? 156 HIS B ND1 1 ATOM 1821 C CD2 . HIS B 1 117 ? -31.807 -19.940 3.623 1.00 105.22 ? 156 HIS B CD2 1 ATOM 1822 C CE1 . HIS B 1 117 ? -32.654 -19.309 5.548 1.00 102.80 ? 156 HIS B CE1 1 ATOM 1823 N NE2 . HIS B 1 117 ? -32.787 -19.198 4.238 1.00 106.76 ? 156 HIS B NE2 1 ATOM 1824 N N . MET B 1 118 ? -28.016 -23.871 5.482 1.00 94.73 ? 157 MET B N 1 ATOM 1825 C CA . MET B 1 118 ? -26.977 -24.252 6.423 1.00 92.78 ? 157 MET B CA 1 ATOM 1826 C C . MET B 1 118 ? -25.816 -23.272 6.387 1.00 86.19 ? 157 MET B C 1 ATOM 1827 O O . MET B 1 118 ? -25.411 -22.807 5.321 1.00 86.64 ? 157 MET B O 1 ATOM 1828 C CB . MET B 1 118 ? -26.512 -25.684 6.183 1.00 92.19 ? 157 MET B CB 1 ATOM 1829 C CG . MET B 1 118 ? -26.864 -26.236 4.812 1.00 97.44 ? 157 MET B CG 1 ATOM 1830 S SD . MET B 1 118 ? -27.163 -28.011 4.874 1.00 98.67 ? 157 MET B SD 1 ATOM 1831 C CE . MET B 1 118 ? -26.413 -28.448 6.452 1.00 90.68 ? 157 MET B CE 1 ATOM 1832 N N . CYS B 1 119 ? -25.315 -22.946 7.571 1.00 77.16 ? 158 CYS B N 1 ATOM 1833 C CA . CYS B 1 119 ? -24.162 -22.077 7.724 1.00 76.56 ? 158 CYS B CA 1 ATOM 1834 C C . CYS B 1 119 ? -23.601 -22.273 9.116 1.00 77.42 ? 158 CYS B C 1 ATOM 1835 O O . CYS B 1 119 ? -24.270 -22.837 9.985 1.00 79.79 ? 158 CYS B O 1 ATOM 1836 C CB . CYS B 1 119 ? -24.546 -20.615 7.504 1.00 77.17 ? 158 CYS B CB 1 ATOM 1837 S SG . CYS B 1 119 ? -25.902 -20.044 8.548 1.00 82.74 ? 158 CYS B SG 1 ATOM 1838 N N . MET B 1 120 ? -22.372 -21.818 9.331 1.00 73.07 ? 159 MET B N 1 ATOM 1839 C CA . MET B 1 120 ? -21.742 -21.957 10.636 1.00 69.11 ? 159 MET B CA 1 ATOM 1840 C C . MET B 1 120 ? -21.840 -20.647 11.404 1.00 73.44 ? 159 MET B C 1 ATOM 1841 O O . MET B 1 120 ? -21.567 -19.596 10.845 1.00 74.06 ? 159 MET B O 1 ATOM 1842 C CB . MET B 1 120 ? -20.280 -22.355 10.460 1.00 63.69 ? 159 MET B CB 1 ATOM 1843 C CG . MET B 1 120 ? -20.085 -23.460 9.437 1.00 62.67 ? 159 MET B CG 1 ATOM 1844 S SD . MET B 1 120 ? -18.377 -23.971 9.172 1.00 64.55 ? 159 MET B SD 1 ATOM 1845 C CE . MET B 1 120 ? -17.848 -22.760 7.960 1.00 62.01 ? 159 MET B CE 1 ATOM 1846 N N . GLU B 1 121 ? -22.215 -20.698 12.682 1.00 84.20 ? 160 GLU B N 1 ATOM 1847 C CA . GLU B 1 121 ? -22.071 -19.519 13.558 1.00 94.81 ? 160 GLU B CA 1 ATOM 1848 C C . GLU B 1 121 ? -21.058 -19.738 14.672 1.00 92.66 ? 160 GLU B C 1 ATOM 1849 O O . GLU B 1 121 ? -21.389 -20.252 15.740 1.00 107.86 ? 160 GLU B O 1 ATOM 1850 C CB . GLU B 1 121 ? -23.413 -19.091 14.135 1.00 98.70 ? 160 GLU B CB 1 ATOM 1851 C CG . GLU B 1 121 ? -24.483 -20.161 14.029 1.00 106.21 ? 160 GLU B CG 1 ATOM 1852 C CD . GLU B 1 121 ? -25.857 -19.686 14.483 1.00 115.06 ? 160 GLU B CD 1 ATOM 1853 O OE1 . GLU B 1 121 ? -26.265 -18.536 14.188 1.00 116.01 ? 160 GLU B OE1 1 ATOM 1854 O OE2 . GLU B 1 121 ? -26.556 -20.481 15.135 1.00 117.85 ? 160 GLU B OE2 1 ATOM 1855 N N . GLY B 1 122 ? -19.825 -19.327 14.415 1.00 86.10 ? 161 GLY B N 1 ATOM 1856 C CA . GLY B 1 122 ? -18.713 -19.628 15.305 1.00 86.91 ? 161 GLY B CA 1 ATOM 1857 C C . GLY B 1 122 ? -18.027 -20.953 15.008 1.00 90.38 ? 161 GLY B C 1 ATOM 1858 O O . GLY B 1 122 ? -18.489 -21.727 14.164 1.00 86.31 ? 161 GLY B O 1 ATOM 1859 N N . PRO B 1 123 ? -16.896 -21.220 15.690 1.00 95.49 ? 162 PRO B N 1 ATOM 1860 C CA . PRO B 1 123 ? -16.192 -22.497 15.540 1.00 99.51 ? 162 PRO B CA 1 ATOM 1861 C C . PRO B 1 123 ? -17.041 -23.685 15.977 1.00 110.07 ? 162 PRO B C 1 ATOM 1862 O O . PRO B 1 123 ? -16.856 -24.237 17.059 1.00 108.42 ? 162 PRO B O 1 ATOM 1863 C CB . PRO B 1 123 ? -14.968 -22.332 16.442 1.00 96.90 ? 162 PRO B CB 1 ATOM 1864 C CG . PRO B 1 123 ? -14.717 -20.864 16.442 1.00 93.42 ? 162 PRO B CG 1 ATOM 1865 C CD . PRO B 1 123 ? -16.069 -20.209 16.375 1.00 93.03 ? 162 PRO B CD 1 ATOM 1866 N N . GLY B 1 124 ? -17.983 -24.061 15.128 1.00 120.26 ? 163 GLY B N 1 ATOM 1867 C CA . GLY B 1 124 ? -18.808 -25.236 15.371 1.00 121.63 ? 163 GLY B CA 1 ATOM 1868 C C . GLY B 1 124 ? -19.148 -25.903 14.058 1.00 121.60 ? 163 GLY B C 1 ATOM 1869 O O . GLY B 1 124 ? -19.452 -25.222 13.071 1.00 110.67 ? 163 GLY B O 1 ATOM 1870 N N . ASP B 1 125 ? -19.126 -27.236 14.060 1.00 127.54 ? 164 ASP B N 1 ATOM 1871 C CA . ASP B 1 125 ? -19.191 -28.028 12.834 1.00 126.56 ? 164 ASP B CA 1 ATOM 1872 C C . ASP B 1 125 ? -18.349 -27.387 11.754 1.00 121.81 ? 164 ASP B C 1 ATOM 1873 O O . ASP B 1 125 ? -17.327 -26.771 12.030 1.00 120.68 ? 164 ASP B O 1 ATOM 1874 C CB . ASP B 1 125 ? -20.632 -28.200 12.349 1.00 124.35 ? 164 ASP B CB 1 ATOM 1875 C CG . ASP B 1 125 ? -21.271 -29.467 12.869 1.00 121.14 ? 164 ASP B CG 1 ATOM 1876 O OD1 . ASP B 1 125 ? -21.587 -29.538 14.074 1.00 116.73 ? 164 ASP B OD1 1 ATOM 1877 O OD2 . ASP B 1 125 ? -21.465 -30.395 12.060 1.00 120.95 ? 164 ASP B OD2 1 HETATM 1878 C C1 . NAG C 2 . ? 8.711 -26.828 4.990 1.00 95.44 ? 301 NAG A C1 1 HETATM 1879 C C2 . NAG C 2 . ? 8.303 -27.784 6.111 1.00 102.71 ? 301 NAG A C2 1 HETATM 1880 C C3 . NAG C 2 . ? 8.630 -29.239 5.765 1.00 103.53 ? 301 NAG A C3 1 HETATM 1881 C C4 . NAG C 2 . ? 8.011 -29.576 4.405 1.00 105.72 ? 301 NAG A C4 1 HETATM 1882 C C5 . NAG C 2 . ? 8.515 -28.589 3.349 1.00 104.20 ? 301 NAG A C5 1 HETATM 1883 C C6 . NAG C 2 . ? 7.911 -28.837 1.963 1.00 99.78 ? 301 NAG A C6 1 HETATM 1884 C C7 . NAG C 2 . ? 8.516 -26.271 7.982 1.00 107.01 ? 301 NAG A C7 1 HETATM 1885 C C8 . NAG C 2 . ? 9.258 -25.915 9.238 1.00 101.92 ? 301 NAG A C8 1 HETATM 1886 N N2 . NAG C 2 . ? 8.945 -27.353 7.334 1.00 104.53 ? 301 NAG A N2 1 HETATM 1887 O O3 . NAG C 2 . ? 8.131 -30.101 6.763 1.00 100.98 ? 301 NAG A O3 1 HETATM 1888 O O4 . NAG C 2 . ? 8.312 -30.891 4.000 1.00 110.79 ? 301 NAG A O4 1 HETATM 1889 O O5 . NAG C 2 . ? 8.186 -27.277 3.754 1.00 101.14 ? 301 NAG A O5 1 HETATM 1890 O O6 . NAG C 2 . ? 7.493 -30.181 1.794 1.00 97.97 ? 301 NAG A O6 1 HETATM 1891 O O7 . NAG C 2 . ? 7.565 -25.587 7.591 1.00 109.38 ? 301 NAG A O7 1 HETATM 1892 C C1 . NAG D 2 . ? 19.589 -1.865 -14.582 1.00 73.31 ? 302 NAG A C1 1 HETATM 1893 C C2 . NAG D 2 . ? 19.854 -0.373 -14.867 1.00 81.19 ? 302 NAG A C2 1 HETATM 1894 C C3 . NAG D 2 . ? 20.967 -0.200 -15.897 1.00 86.13 ? 302 NAG A C3 1 HETATM 1895 C C4 . NAG D 2 . ? 22.182 -1.044 -15.505 1.00 88.80 ? 302 NAG A C4 1 HETATM 1896 C C5 . NAG D 2 . ? 21.775 -2.482 -15.183 1.00 86.65 ? 302 NAG A C5 1 HETATM 1897 C C6 . NAG D 2 . ? 22.981 -3.294 -14.699 1.00 83.53 ? 302 NAG A C6 1 HETATM 1898 C C7 . NAG D 2 . ? 17.865 -0.210 -16.246 1.00 83.93 ? 302 NAG A C7 1 HETATM 1899 C C8 . NAG D 2 . ? 16.610 0.577 -16.497 1.00 73.34 ? 302 NAG A C8 1 HETATM 1900 N N2 . NAG D 2 . ? 18.631 0.271 -15.288 1.00 78.37 ? 302 NAG A N2 1 HETATM 1901 O O3 . NAG D 2 . ? 21.352 1.154 -15.970 1.00 91.25 ? 302 NAG A O3 1 HETATM 1902 O O4 . NAG D 2 . ? 23.116 -1.055 -16.565 1.00 98.85 ? 302 NAG A O4 1 HETATM 1903 O O5 . NAG D 2 . ? 20.787 -2.479 -14.181 1.00 83.88 ? 302 NAG A O5 1 HETATM 1904 O O6 . NAG D 2 . ? 23.705 -2.597 -13.705 1.00 83.57 ? 302 NAG A O6 1 HETATM 1905 O O7 . NAG D 2 . ? 18.179 -1.214 -16.893 1.00 86.12 ? 302 NAG A O7 1 HETATM 1906 C C1 . NAG E 2 . ? 24.131 -0.059 -16.354 1.00 101.72 ? 303 NAG A C1 1 HETATM 1907 C C2 . NAG E 2 . ? 25.065 0.002 -17.561 1.00 102.21 ? 303 NAG A C2 1 HETATM 1908 C C3 . NAG E 2 . ? 26.181 1.015 -17.324 1.00 103.15 ? 303 NAG A C3 1 HETATM 1909 C C4 . NAG E 2 . ? 25.567 2.363 -16.942 1.00 106.43 ? 303 NAG A C4 1 HETATM 1910 C C5 . NAG E 2 . ? 24.529 2.209 -15.821 1.00 103.83 ? 303 NAG A C5 1 HETATM 1911 C C6 . NAG E 2 . ? 23.814 3.528 -15.549 1.00 102.03 ? 303 NAG A C6 1 HETATM 1912 C C7 . NAG E 2 . ? 25.025 -2.051 -18.835 1.00 101.42 ? 303 NAG A C7 1 HETATM 1913 C C8 . NAG E 2 . ? 25.632 -3.408 -19.068 1.00 100.09 ? 303 NAG A C8 1 HETATM 1914 N N2 . NAG E 2 . ? 25.585 -1.319 -17.869 1.00 101.93 ? 303 NAG A N2 1 HETATM 1915 O O3 . NAG E 2 . ? 26.967 1.164 -18.486 1.00 103.14 ? 303 NAG A O3 1 HETATM 1916 O O4 . NAG E 2 . ? 26.565 3.290 -16.559 1.00 110.22 ? 303 NAG A O4 1 HETATM 1917 O O5 . NAG E 2 . ? 23.573 1.221 -16.152 1.00 101.10 ? 303 NAG A O5 1 HETATM 1918 O O6 . NAG E 2 . ? 23.471 4.141 -16.771 1.00 102.12 ? 303 NAG A O6 1 HETATM 1919 O O7 . NAG E 2 . ? 24.064 -1.656 -19.511 1.00 87.70 ? 303 NAG A O7 1 HETATM 1920 C C1 . NAG F 2 . ? -8.768 -33.974 10.502 1.00 136.43 ? 301 NAG B C1 1 HETATM 1921 C C2 . NAG F 2 . ? -9.840 -34.799 11.297 1.00 143.46 ? 301 NAG B C2 1 HETATM 1922 C C3 . NAG F 2 . ? -9.592 -36.334 11.220 1.00 141.52 ? 301 NAG B C3 1 HETATM 1923 C C4 . NAG F 2 . ? -9.372 -36.707 9.745 1.00 140.46 ? 301 NAG B C4 1 HETATM 1924 C C5 . NAG F 2 . ? -8.324 -35.792 9.076 1.00 138.87 ? 301 NAG B C5 1 HETATM 1925 C C6 . NAG F 2 . ? -8.086 -36.135 7.599 1.00 137.35 ? 301 NAG B C6 1 HETATM 1926 C C7 . NAG F 2 . ? -11.191 -34.232 13.306 1.00 135.20 ? 301 NAG B C7 1 HETATM 1927 C C8 . NAG F 2 . ? -11.003 -33.634 14.647 1.00 125.32 ? 301 NAG B C8 1 HETATM 1928 N N2 . NAG F 2 . ? -10.037 -34.293 12.652 1.00 141.77 ? 301 NAG B N2 1 HETATM 1929 O O3 . NAG F 2 . ? -10.703 -37.036 11.752 1.00 145.20 ? 301 NAG B O3 1 HETATM 1930 O O4 . NAG F 2 . ? -8.986 -38.061 9.643 1.00 140.99 ? 301 NAG B O4 1 HETATM 1931 O O5 . NAG F 2 . ? -8.701 -34.438 9.178 1.00 139.40 ? 301 NAG B O5 1 HETATM 1932 O O6 . NAG F 2 . ? -7.251 -37.272 7.509 1.00 135.68 ? 301 NAG B O6 1 HETATM 1933 O O7 . NAG F 2 . ? -12.296 -34.674 12.950 1.00 130.02 ? 301 NAG B O7 1 HETATM 1934 C C1 . NAG G 2 . ? -25.357 -5.667 -0.017 1.00 112.25 ? 302 NAG B C1 1 HETATM 1935 C C2 . NAG G 2 . ? -25.018 -4.202 -0.349 1.00 120.62 ? 302 NAG B C2 1 HETATM 1936 C C3 . NAG G 2 . ? -26.313 -3.361 -0.313 1.00 119.88 ? 302 NAG B C3 1 HETATM 1937 C C4 . NAG G 2 . ? -27.388 -3.987 -1.226 1.00 124.76 ? 302 NAG B C4 1 HETATM 1938 C C5 . NAG G 2 . ? -27.536 -5.488 -0.942 1.00 126.28 ? 302 NAG B C5 1 HETATM 1939 C C6 . NAG G 2 . ? -28.471 -6.144 -1.953 1.00 131.41 ? 302 NAG B C6 1 HETATM 1940 C C7 . NAG G 2 . ? -24.400 -3.336 1.876 1.00 114.24 ? 302 NAG B C7 1 HETATM 1941 C C8 . NAG G 2 . ? -25.187 -4.340 2.689 1.00 111.02 ? 302 NAG B C8 1 HETATM 1942 N N2 . NAG G 2 . ? -24.266 -3.449 0.587 1.00 116.74 ? 302 NAG B N2 1 HETATM 1943 O O3 . NAG G 2 . ? -26.122 -1.988 -0.648 1.00 119.16 ? 302 NAG B O3 1 HETATM 1944 O O4 . NAG G 2 . ? -28.633 -3.340 -1.062 1.00 122.14 ? 302 NAG B O4 1 HETATM 1945 O O5 . NAG G 2 . ? -26.274 -6.140 -0.988 1.00 121.05 ? 302 NAG B O5 1 HETATM 1946 O O6 . NAG G 2 . ? -29.008 -5.168 -2.820 1.00 133.73 ? 302 NAG B O6 1 HETATM 1947 O O7 . NAG G 2 . ? -23.718 -2.482 2.334 1.00 108.86 ? 302 NAG B O7 1 HETATM 1948 O O . HOH H 3 . ? 5.789 -7.864 9.831 1.00 53.25 ? 401 HOH A O 1 HETATM 1949 O O . HOH H 3 . ? 16.685 -18.145 -16.370 1.00 66.29 ? 402 HOH A O 1 HETATM 1950 O O . HOH H 3 . ? 11.726 -9.210 11.242 1.00 49.49 ? 403 HOH A O 1 HETATM 1951 O O . HOH H 3 . ? 14.662 -10.827 10.735 1.00 57.11 ? 404 HOH A O 1 HETATM 1952 O O . HOH H 3 . ? 12.191 -2.917 11.873 1.00 44.81 ? 405 HOH A O 1 HETATM 1953 O O . HOH H 3 . ? -11.009 -9.612 -6.922 1.00 75.65 ? 406 HOH A O 1 HETATM 1954 O O . HOH H 3 . ? 7.130 -4.084 9.295 1.00 43.97 ? 407 HOH A O 1 HETATM 1955 O O . HOH H 3 . ? 18.689 -14.102 -7.898 1.00 44.81 ? 408 HOH A O 1 HETATM 1956 O O . HOH H 3 . ? 17.697 -14.359 8.638 1.00 54.98 ? 409 HOH A O 1 HETATM 1957 O O . HOH H 3 . ? 18.649 -26.702 4.237 1.00 74.02 ? 410 HOH A O 1 HETATM 1958 O O . HOH H 3 . ? 2.739 -11.210 4.230 1.00 55.90 ? 411 HOH A O 1 HETATM 1959 O O . HOH H 3 . ? 3.573 -16.554 -7.860 1.00 52.15 ? 412 HOH A O 1 HETATM 1960 O O . HOH H 3 . ? -0.005 -10.039 -10.711 1.00 44.32 ? 413 HOH A O 1 HETATM 1961 O O . HOH H 3 . ? 3.237 -11.788 9.448 1.00 70.46 ? 414 HOH A O 1 HETATM 1962 O O . HOH H 3 . ? 8.867 -3.965 -19.826 1.00 71.91 ? 415 HOH A O 1 HETATM 1963 O O . HOH H 3 . ? -7.909 -8.774 -13.242 1.00 58.29 ? 416 HOH A O 1 HETATM 1964 O O . HOH H 3 . ? 15.456 -4.546 7.701 1.00 54.90 ? 417 HOH A O 1 HETATM 1965 O O . HOH H 3 . ? 3.273 6.424 -17.121 1.00 61.75 ? 418 HOH A O 1 HETATM 1966 O O . HOH H 3 . ? 14.968 -14.049 9.278 1.00 54.75 ? 419 HOH A O 1 HETATM 1967 O O . HOH H 3 . ? 14.036 0.827 -6.283 1.00 51.51 ? 420 HOH A O 1 HETATM 1968 O O . HOH H 3 . ? 12.603 -24.953 2.495 1.00 60.59 ? 421 HOH A O 1 HETATM 1969 O O . HOH H 3 . ? 21.141 -13.901 2.581 1.00 68.47 ? 422 HOH A O 1 HETATM 1970 O O . HOH H 3 . ? 14.856 -4.935 -16.000 1.00 62.34 ? 423 HOH A O 1 HETATM 1971 O O . HOH H 3 . ? 10.109 -1.261 5.250 1.00 51.82 ? 424 HOH A O 1 HETATM 1972 O O . HOH H 3 . ? 1.140 -14.170 -8.496 1.00 50.59 ? 425 HOH A O 1 HETATM 1973 O O . HOH H 3 . ? 1.466 -15.161 -16.220 1.00 59.18 ? 426 HOH A O 1 HETATM 1974 O O . HOH H 3 . ? -0.000 -10.180 -18.842 0.50 51.90 ? 427 HOH A O 1 HETATM 1975 O O . HOH H 3 . ? 9.518 0.294 3.249 1.00 61.44 ? 428 HOH A O 1 HETATM 1976 O O . HOH H 3 . ? 11.887 -17.990 -17.767 1.00 69.18 ? 429 HOH A O 1 HETATM 1977 O O . HOH H 3 . ? 29.273 5.246 -16.791 1.00 99.46 ? 430 HOH A O 1 HETATM 1978 O O . HOH H 3 . ? 14.450 -1.295 -13.321 1.00 48.40 ? 431 HOH A O 1 HETATM 1979 O O . HOH H 3 . ? 20.505 -12.467 -7.241 1.00 43.05 ? 432 HOH A O 1 HETATM 1980 O O . HOH H 3 . ? 16.458 -1.355 2.744 1.00 68.87 ? 433 HOH A O 1 HETATM 1981 O O . HOH I 3 . ? -30.452 -3.273 0.302 1.00 87.88 ? 401 HOH B O 1 HETATM 1982 O O . HOH I 3 . ? -17.648 -7.307 22.894 1.00 75.41 ? 402 HOH B O 1 HETATM 1983 O O . HOH I 3 . ? -17.066 -0.014 4.652 1.00 65.20 ? 403 HOH B O 1 HETATM 1984 O O . HOH I 3 . ? -15.081 -6.839 -1.819 1.00 78.95 ? 404 HOH B O 1 HETATM 1985 O O . HOH I 3 . ? -8.217 -11.090 15.263 1.00 39.40 ? 405 HOH B O 1 HETATM 1986 O O . HOH I 3 . ? -11.486 -16.830 14.680 1.00 56.68 ? 406 HOH B O 1 HETATM 1987 O O . HOH I 3 . ? -0.000 -9.011 18.842 0.50 54.40 ? 407 HOH B O 1 HETATM 1988 O O . HOH I 3 . ? -11.981 4.655 4.236 1.00 76.41 ? 408 HOH B O 1 HETATM 1989 O O . HOH I 3 . ? -4.348 -8.898 19.060 1.00 62.21 ? 409 HOH B O 1 HETATM 1990 O O . HOH I 3 . ? -22.254 -34.352 6.267 1.00 72.98 ? 410 HOH B O 1 HETATM 1991 O O . HOH I 3 . ? -14.390 -10.388 19.688 1.00 71.57 ? 411 HOH B O 1 HETATM 1992 O O . HOH I 3 . ? -11.961 2.068 16.115 1.00 67.40 ? 412 HOH B O 1 HETATM 1993 O O . HOH I 3 . ? -27.628 -22.880 2.528 1.00 63.76 ? 413 HOH B O 1 HETATM 1994 O O . HOH I 3 . ? -5.172 -11.863 -3.867 1.00 72.03 ? 414 HOH B O 1 HETATM 1995 O O . HOH I 3 . ? -30.337 -15.640 14.581 1.00 89.28 ? 415 HOH B O 1 HETATM 1996 O O . HOH I 3 . ? -27.361 -8.856 -3.131 1.00 76.75 ? 416 HOH B O 1 HETATM 1997 O O . HOH I 3 . ? -18.766 -18.347 19.160 1.00 69.01 ? 417 HOH B O 1 HETATM 1998 O O . HOH I 3 . ? -29.049 -9.512 -1.253 1.00 64.41 ? 418 HOH B 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 40 ? ? ? A . n A 1 2 GLU 2 41 ? ? ? A . n A 1 3 GLU 3 42 ? ? ? A . n A 1 4 ARG 4 43 ? ? ? A . n A 1 5 ARG 5 44 44 ARG ARG A . n A 1 6 CYS 6 45 45 CYS CYS A . n A 1 7 ASP 7 46 46 ASP ASP A . n A 1 8 PRO 8 47 47 PRO PRO A . n A 1 9 ILE 9 48 48 ILE ILE A . n A 1 10 ARG 10 49 49 ARG ARG A . n A 1 11 ILE 11 50 50 ILE ILE A . n A 1 12 SER 12 51 51 SER SER A . n A 1 13 MET 13 52 52 MET MET A . n A 1 14 CYS 14 53 53 CYS CYS A . n A 1 15 GLN 15 54 54 GLN GLN A . n A 1 16 ASN 16 55 55 ASN ASN A . n A 1 17 LEU 17 56 56 LEU LEU A . n A 1 18 GLY 18 57 57 GLY GLY A . n A 1 19 TYR 19 58 58 TYR TYR A . n A 1 20 ASN 20 59 59 ASN ASN A . n A 1 21 VAL 21 60 60 VAL VAL A . n A 1 22 THR 22 61 61 THR THR A . n A 1 23 LYS 23 62 62 LYS LYS A . n A 1 24 MET 24 63 63 MET MET A . n A 1 25 PRO 25 64 64 PRO PRO A . n A 1 26 ASN 26 65 65 ASN ASN A . n A 1 27 LEU 27 66 66 LEU LEU A . n A 1 28 VAL 28 67 67 VAL VAL A . n A 1 29 GLY 29 68 68 GLY GLY A . n A 1 30 HIS 30 69 69 HIS HIS A . n A 1 31 GLU 31 70 70 GLU GLU A . n A 1 32 LEU 32 71 71 LEU LEU A . n A 1 33 GLN 33 72 72 GLN GLN A . n A 1 34 THR 34 73 73 THR THR A . n A 1 35 ASP 35 74 74 ASP ASP A . n A 1 36 ALA 36 75 75 ALA ALA A . n A 1 37 GLU 37 76 76 GLU GLU A . n A 1 38 LEU 38 77 77 LEU LEU A . n A 1 39 GLN 39 78 78 GLN GLN A . n A 1 40 LEU 40 79 79 LEU LEU A . n A 1 41 THR 41 80 80 THR THR A . n A 1 42 THR 42 81 81 THR THR A . n A 1 43 PHE 43 82 82 PHE PHE A . n A 1 44 THR 44 83 83 THR THR A . n A 1 45 PRO 45 84 84 PRO PRO A . n A 1 46 LEU 46 85 85 LEU LEU A . n A 1 47 ILE 47 86 86 ILE ILE A . n A 1 48 GLN 48 87 87 GLN GLN A . n A 1 49 TYR 49 88 88 TYR TYR A . n A 1 50 GLY 50 89 89 GLY GLY A . n A 1 51 CYS 51 90 90 CYS CYS A . n A 1 52 SER 52 91 91 SER SER A . n A 1 53 SER 53 92 92 SER SER A . n A 1 54 GLN 54 93 93 GLN GLN A . n A 1 55 LEU 55 94 94 LEU LEU A . n A 1 56 GLN 56 95 95 GLN GLN A . n A 1 57 PHE 57 96 96 PHE PHE A . n A 1 58 PHE 58 97 97 PHE PHE A . n A 1 59 LEU 59 98 98 LEU LEU A . n A 1 60 CYS 60 99 99 CYS CYS A . n A 1 61 SER 61 100 100 SER SER A . n A 1 62 VAL 62 101 101 VAL VAL A . n A 1 63 TYR 63 102 102 TYR TYR A . n A 1 64 VAL 64 103 103 VAL VAL A . n A 1 65 PRO 65 104 104 PRO PRO A . n A 1 66 MET 66 105 105 MET MET A . n A 1 67 CYS 67 106 106 CYS CYS A . n A 1 68 THR 68 107 107 THR THR A . n A 1 69 GLU 69 108 108 GLU GLU A . n A 1 70 LYS 70 109 109 LYS LYS A . n A 1 71 ILE 71 110 110 ILE ILE A . n A 1 72 ASN 72 111 111 ASN ASN A . n A 1 73 ILE 73 112 112 ILE ILE A . n A 1 74 PRO 74 113 113 PRO PRO A . n A 1 75 ILE 75 114 114 ILE ILE A . n A 1 76 GLY 76 115 115 GLY GLY A . n A 1 77 PRO 77 116 116 PRO PRO A . n A 1 78 CYS 78 117 117 CYS CYS A . n A 1 79 GLY 79 118 118 GLY GLY A . n A 1 80 GLY 80 119 119 GLY GLY A . n A 1 81 MET 81 120 120 MET MET A . n A 1 82 CYS 82 121 121 CYS CYS A . n A 1 83 LEU 83 122 122 LEU LEU A . n A 1 84 SER 84 123 123 SER SER A . n A 1 85 VAL 85 124 124 VAL VAL A . n A 1 86 LYS 86 125 125 LYS LYS A . n A 1 87 ARG 87 126 126 ARG ARG A . n A 1 88 ARG 88 127 127 ARG ARG A . n A 1 89 CYS 89 128 128 CYS CYS A . n A 1 90 GLU 90 129 129 GLU GLU A . n A 1 91 PRO 91 130 130 PRO PRO A . n A 1 92 VAL 92 131 131 VAL VAL A . n A 1 93 LEU 93 132 132 LEU LEU A . n A 1 94 LYS 94 133 133 LYS LYS A . n A 1 95 GLU 95 134 134 GLU GLU A . n A 1 96 PHE 96 135 135 PHE PHE A . n A 1 97 GLY 97 136 136 GLY GLY A . n A 1 98 PHE 98 137 137 PHE PHE A . n A 1 99 ALA 99 138 138 ALA ALA A . n A 1 100 TRP 100 139 139 TRP TRP A . n A 1 101 PRO 101 140 140 PRO PRO A . n A 1 102 GLU 102 141 141 GLU GLU A . n A 1 103 SER 103 142 142 SER SER A . n A 1 104 LEU 104 143 143 LEU LEU A . n A 1 105 ASN 105 144 144 ASN ASN A . n A 1 106 CYS 106 145 145 CYS CYS A . n A 1 107 SER 107 146 146 SER SER A . n A 1 108 LYS 108 147 147 LYS LYS A . n A 1 109 PHE 109 148 148 PHE PHE A . n A 1 110 PRO 110 149 149 PRO PRO A . n A 1 111 PRO 111 150 150 PRO PRO A . n A 1 112 GLN 112 151 151 GLN GLN A . n A 1 113 ASN 113 152 152 ASN ASN A . n A 1 114 ASP 114 153 153 ASP ASP A . n A 1 115 HIS 115 154 154 HIS HIS A . n A 1 116 ASN 116 155 155 ASN ASN A . n A 1 117 HIS 117 156 156 HIS HIS A . n A 1 118 MET 118 157 157 MET MET A . n A 1 119 CYS 119 158 158 CYS CYS A . n A 1 120 MET 120 159 159 MET MET A . n A 1 121 GLU 121 160 160 GLU GLU A . n A 1 122 GLY 122 161 161 GLY GLY A . n A 1 123 PRO 123 162 162 PRO PRO A . n A 1 124 GLY 124 163 163 GLY GLY A . n A 1 125 ASP 125 164 164 ASP ASP A . n B 1 1 GLU 1 40 ? ? ? B . n B 1 2 GLU 2 41 ? ? ? B . n B 1 3 GLU 3 42 ? ? ? B . n B 1 4 ARG 4 43 ? ? ? B . n B 1 5 ARG 5 44 44 ARG ARG B . n B 1 6 CYS 6 45 45 CYS CYS B . n B 1 7 ASP 7 46 46 ASP ASP B . n B 1 8 PRO 8 47 47 PRO PRO B . n B 1 9 ILE 9 48 48 ILE ILE B . n B 1 10 ARG 10 49 49 ARG ARG B . n B 1 11 ILE 11 50 50 ILE ILE B . n B 1 12 SER 12 51 51 SER SER B . n B 1 13 MET 13 52 52 MET MET B . n B 1 14 CYS 14 53 53 CYS CYS B . n B 1 15 GLN 15 54 54 GLN GLN B . n B 1 16 ASN 16 55 55 ASN ASN B . n B 1 17 LEU 17 56 56 LEU LEU B . n B 1 18 GLY 18 57 57 GLY GLY B . n B 1 19 TYR 19 58 58 TYR TYR B . n B 1 20 ASN 20 59 59 ASN ASN B . n B 1 21 VAL 21 60 60 VAL VAL B . n B 1 22 THR 22 61 61 THR THR B . n B 1 23 LYS 23 62 62 LYS LYS B . n B 1 24 MET 24 63 63 MET MET B . n B 1 25 PRO 25 64 64 PRO PRO B . n B 1 26 ASN 26 65 65 ASN ASN B . n B 1 27 LEU 27 66 66 LEU LEU B . n B 1 28 VAL 28 67 67 VAL VAL B . n B 1 29 GLY 29 68 68 GLY GLY B . n B 1 30 HIS 30 69 69 HIS HIS B . n B 1 31 GLU 31 70 70 GLU GLU B . n B 1 32 LEU 32 71 71 LEU LEU B . n B 1 33 GLN 33 72 72 GLN GLN B . n B 1 34 THR 34 73 73 THR THR B . n B 1 35 ASP 35 74 74 ASP ASP B . n B 1 36 ALA 36 75 75 ALA ALA B . n B 1 37 GLU 37 76 76 GLU GLU B . n B 1 38 LEU 38 77 77 LEU LEU B . n B 1 39 GLN 39 78 78 GLN GLN B . n B 1 40 LEU 40 79 79 LEU LEU B . n B 1 41 THR 41 80 80 THR THR B . n B 1 42 THR 42 81 81 THR THR B . n B 1 43 PHE 43 82 82 PHE PHE B . n B 1 44 THR 44 83 83 THR THR B . n B 1 45 PRO 45 84 84 PRO PRO B . n B 1 46 LEU 46 85 85 LEU LEU B . n B 1 47 ILE 47 86 86 ILE ILE B . n B 1 48 GLN 48 87 87 GLN GLN B . n B 1 49 TYR 49 88 88 TYR TYR B . n B 1 50 GLY 50 89 89 GLY GLY B . n B 1 51 CYS 51 90 90 CYS CYS B . n B 1 52 SER 52 91 91 SER SER B . n B 1 53 SER 53 92 92 SER SER B . n B 1 54 GLN 54 93 93 GLN GLN B . n B 1 55 LEU 55 94 94 LEU LEU B . n B 1 56 GLN 56 95 95 GLN GLN B . n B 1 57 PHE 57 96 96 PHE PHE B . n B 1 58 PHE 58 97 97 PHE PHE B . n B 1 59 LEU 59 98 98 LEU LEU B . n B 1 60 CYS 60 99 99 CYS CYS B . n B 1 61 SER 61 100 100 SER SER B . n B 1 62 VAL 62 101 101 VAL VAL B . n B 1 63 TYR 63 102 102 TYR TYR B . n B 1 64 VAL 64 103 103 VAL VAL B . n B 1 65 PRO 65 104 104 PRO PRO B . n B 1 66 MET 66 105 105 MET MET B . n B 1 67 CYS 67 106 106 CYS CYS B . n B 1 68 THR 68 107 107 THR THR B . n B 1 69 GLU 69 108 108 GLU GLU B . n B 1 70 LYS 70 109 109 LYS LYS B . n B 1 71 ILE 71 110 110 ILE ILE B . n B 1 72 ASN 72 111 111 ASN ASN B . n B 1 73 ILE 73 112 112 ILE ILE B . n B 1 74 PRO 74 113 113 PRO PRO B . n B 1 75 ILE 75 114 114 ILE ILE B . n B 1 76 GLY 76 115 115 GLY GLY B . n B 1 77 PRO 77 116 116 PRO PRO B . n B 1 78 CYS 78 117 117 CYS CYS B . n B 1 79 GLY 79 118 118 GLY GLY B . n B 1 80 GLY 80 119 119 GLY GLY B . n B 1 81 MET 81 120 120 MET MET B . n B 1 82 CYS 82 121 121 CYS CYS B . n B 1 83 LEU 83 122 122 LEU LEU B . n B 1 84 SER 84 123 123 SER SER B . n B 1 85 VAL 85 124 124 VAL VAL B . n B 1 86 LYS 86 125 125 LYS LYS B . n B 1 87 ARG 87 126 126 ARG ARG B . n B 1 88 ARG 88 127 127 ARG ARG B . n B 1 89 CYS 89 128 128 CYS CYS B . n B 1 90 GLU 90 129 129 GLU GLU B . n B 1 91 PRO 91 130 130 PRO PRO B . n B 1 92 VAL 92 131 131 VAL VAL B . n B 1 93 LEU 93 132 132 LEU LEU B . n B 1 94 LYS 94 133 133 LYS LYS B . n B 1 95 GLU 95 134 134 GLU GLU B . n B 1 96 PHE 96 135 135 PHE PHE B . n B 1 97 GLY 97 136 136 GLY GLY B . n B 1 98 PHE 98 137 137 PHE PHE B . n B 1 99 ALA 99 138 138 ALA ALA B . n B 1 100 TRP 100 139 139 TRP TRP B . n B 1 101 PRO 101 140 140 PRO PRO B . n B 1 102 GLU 102 141 141 GLU GLU B . n B 1 103 SER 103 142 142 SER SER B . n B 1 104 LEU 104 143 143 LEU LEU B . n B 1 105 ASN 105 144 144 ASN ASN B . n B 1 106 CYS 106 145 145 CYS CYS B . n B 1 107 SER 107 146 146 SER SER B . n B 1 108 LYS 108 147 147 LYS LYS B . n B 1 109 PHE 109 148 148 PHE PHE B . n B 1 110 PRO 110 149 149 PRO PRO B . n B 1 111 PRO 111 150 150 PRO PRO B . n B 1 112 GLN 112 151 151 GLN GLN B . n B 1 113 ASN 113 152 152 ASN ASN B . n B 1 114 ASP 114 153 153 ASP ASP B . n B 1 115 HIS 115 154 154 HIS HIS B . n B 1 116 ASN 116 155 155 ASN ASN B . n B 1 117 HIS 117 156 156 HIS HIS B . n B 1 118 MET 118 157 157 MET MET B . n B 1 119 CYS 119 158 158 CYS CYS B . n B 1 120 MET 120 159 159 MET MET B . n B 1 121 GLU 121 160 160 GLU GLU B . n B 1 122 GLY 122 161 161 GLY GLY B . n B 1 123 PRO 123 162 162 PRO PRO B . n B 1 124 GLY 124 163 163 GLY GLY B . n B 1 125 ASP 125 164 164 ASP ASP B . 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 C 2 NAG 1 301 301 NAG NAG A . D 2 NAG 1 302 302 NAG NAG A . E 2 NAG 2 303 303 NAG NAG A . F 2 NAG 1 301 301 NAG NAG B . G 2 NAG 1 302 302 NAG NAG B . H 3 HOH 1 401 38 HOH HOH A . H 3 HOH 2 402 19 HOH HOH A . H 3 HOH 3 403 5 HOH HOH A . H 3 HOH 4 404 35 HOH HOH A . H 3 HOH 5 405 36 HOH HOH A . H 3 HOH 6 406 50 HOH HOH A . H 3 HOH 7 407 44 HOH HOH A . H 3 HOH 8 408 11 HOH HOH A . H 3 HOH 9 409 2 HOH HOH A . H 3 HOH 10 410 10 HOH HOH A . H 3 HOH 11 411 1 HOH HOH A . H 3 HOH 12 412 8 HOH HOH A . H 3 HOH 13 413 7 HOH HOH A . H 3 HOH 14 414 34 HOH HOH A . H 3 HOH 15 415 14 HOH HOH A . H 3 HOH 16 416 12 HOH HOH A . H 3 HOH 17 417 31 HOH HOH A . H 3 HOH 18 418 15 HOH HOH A . H 3 HOH 19 419 4 HOH HOH A . H 3 HOH 20 420 17 HOH HOH A . H 3 HOH 21 421 45 HOH HOH A . H 3 HOH 22 422 39 HOH HOH A . H 3 HOH 23 423 18 HOH HOH A . H 3 HOH 24 424 6 HOH HOH A . H 3 HOH 25 425 9 HOH HOH A . H 3 HOH 26 426 47 HOH HOH A . H 3 HOH 27 427 13 HOH HOH A . H 3 HOH 28 428 43 HOH HOH A . H 3 HOH 29 429 51 HOH HOH A . H 3 HOH 30 430 42 HOH HOH A . H 3 HOH 31 431 16 HOH HOH A . H 3 HOH 32 432 46 HOH HOH A . H 3 HOH 33 433 3 HOH HOH A . I 3 HOH 1 401 26 HOH HOH B . I 3 HOH 2 402 48 HOH HOH B . I 3 HOH 3 403 24 HOH HOH B . I 3 HOH 4 404 33 HOH HOH B . I 3 HOH 5 405 21 HOH HOH B . I 3 HOH 6 406 23 HOH HOH B . I 3 HOH 7 407 37 HOH HOH B . I 3 HOH 8 408 40 HOH HOH B . I 3 HOH 9 409 41 HOH HOH B . I 3 HOH 10 410 32 HOH HOH B . I 3 HOH 11 411 22 HOH HOH B . I 3 HOH 12 412 25 HOH HOH B . I 3 HOH 13 413 30 HOH HOH B . I 3 HOH 14 414 20 HOH HOH B . I 3 HOH 15 415 29 HOH HOH B . I 3 HOH 16 416 27 HOH HOH B . I 3 HOH 17 417 49 HOH HOH B . I 3 HOH 18 418 28 HOH HOH B . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA monomeric 1 2 author_and_software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E,H 2 1 B,F,G,I # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id 1 1 A HOH 427 ? H HOH . 2 1 B HOH 407 ? I HOH . # 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 2015-08-12 2 'Structure model' 1 1 2015-09-16 3 'Structure model' 1 2 2017-09-27 # _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' 'Author supporting evidence' 3 3 'Structure model' 'Derived calculations' # 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' pdbx_audit_support 2 3 'Structure model' pdbx_struct_oper_list # 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' '_pdbx_audit_support.funding_organization' 2 3 'Structure model' '_pdbx_struct_oper_list.symmetry_operation' # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0073 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALA ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 ND2 B ASN 59 ? ? O5 B NAG 301 ? ? 2.14 2 1 ND2 A ASN 144 ? ? O5 A NAG 302 ? ? 2.18 3 1 ND2 B ASN 59 ? ? C2 B NAG 301 ? ? 2.18 4 1 ND2 A ASN 59 ? ? O5 A NAG 301 ? ? 2.19 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CA A CYS 45 ? ? CB A CYS 45 ? ? SG A CYS 45 ? ? 121.27 114.20 7.07 1.10 N 2 1 N A GLY 163 ? ? CA A GLY 163 ? ? C A GLY 163 ? ? 94.89 113.10 -18.21 2.50 N 3 1 CA B CYS 45 ? ? CB B CYS 45 ? ? SG B CYS 45 ? ? 121.86 114.20 7.66 1.10 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASN A 59 ? ? -140.28 17.66 2 1 PRO A 162 ? ? -69.43 62.10 3 1 ASN B 55 ? ? -117.60 68.53 4 1 PRO B 162 ? ? -62.11 76.48 # 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 ASP 164 ? CG ? A ASP 125 CG 2 1 Y 1 A ASP 164 ? OD1 ? A ASP 125 OD1 3 1 Y 1 A ASP 164 ? OD2 ? A ASP 125 OD2 4 1 Y 1 B GLU 70 ? CG ? B GLU 31 CG 5 1 Y 1 B GLU 70 ? CD ? B GLU 31 CD 6 1 Y 1 B GLU 70 ? OE1 ? B GLU 31 OE1 7 1 Y 1 B GLU 70 ? OE2 ? B GLU 31 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 40 ? A GLU 1 2 1 Y 1 A GLU 41 ? A GLU 2 3 1 Y 1 A GLU 42 ? A GLU 3 4 1 Y 1 A ARG 43 ? A ARG 4 5 1 Y 1 B GLU 40 ? B GLU 1 6 1 Y 1 B GLU 41 ? B GLU 2 7 1 Y 1 B GLU 42 ? B GLU 3 8 1 Y 1 B ARG 43 ? B ARG 4 # loop_ _pdbx_audit_support.funding_organization _pdbx_audit_support.country _pdbx_audit_support.grant_number _pdbx_audit_support.ordinal 'National Institutes of Health/National Institute of Diabetes and Digestive and Kidney Disease' 'United States' DK071662 1 'National Institutes of Health/National Institute of General Medical Sciences' 'United States' GM102545 2 'National Institutes of Health/National Institute of General Medical Sciences' 'United States' GM104212 3 'Michigan Economic Development Corporation and the Michigan Technology Tri-Corridor' 'United States' 085P1000817 4 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 water HOH #