data_5KC5 # _entry.id 5KC5 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5KC5 WWPDB D_1000221684 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5KC5 _pdbx_database_status.recvd_initial_deposition_date 2016-06-05 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Elegheert, J.' 1 'Clay, J.E.' 2 'Siebold, C.' 3 'Aricescu, A.R.' 4 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Science _citation.journal_id_ASTM SCIEAS _citation.journal_id_CSD 0038 _citation.journal_id_ISSN 1095-9203 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 353 _citation.language ? _citation.page_first 295 _citation.page_last 299 _citation.title 'Structural basis for integration of GluD receptors within synaptic organizer complexes.' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1126/science.aae0104 _citation.pdbx_database_id_PubMed 27418511 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Elegheert, J.' 1 primary 'Kakegawa, W.' 2 primary 'Clay, J.E.' 3 primary 'Shanks, N.F.' 4 primary 'Behiels, E.' 5 primary 'Matsuda, K.' 6 primary 'Kohda, K.' 7 primary 'Miura, E.' 8 primary 'Rossmann, M.' 9 primary 'Mitakidis, N.' 10 primary 'Motohashi, J.' 11 primary 'Chang, V.T.' 12 primary 'Siebold, C.' 13 primary 'Greger, I.H.' 14 primary 'Nakagawa, T.' 15 primary 'Yuzaki, M.' 16 primary 'Aricescu, A.R.' 17 # _cell.angle_alpha 90.00 _cell.angle_alpha_esd ? _cell.angle_beta 90.00 _cell.angle_beta_esd ? _cell.angle_gamma 120.00 _cell.angle_gamma_esd ? _cell.entry_id 5KC5 _cell.details ? _cell.formula_units_Z ? _cell.length_a 83.420 _cell.length_a_esd ? _cell.length_b 83.420 _cell.length_b_esd ? _cell.length_c 50.570 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 6 _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 5KC5 _symmetry.cell_setting ? _symmetry.Int_Tables_number 168 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 6' _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 Cerebellin-1 16642.820 1 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 water nat water 18.015 55 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name Precerebellin # _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 ;ETGSAKVAFSAIRSTNHEPSEMSNRTMIIYFDQVLVNIGNNFDSERSTFIAPRKGIYSFNFHVVKVYNRQTIQVSLMLNG WPVISAFAGDQDVTREAASNGVLIQMEKGDRAYLKLERGNLMGGWKYSTFSGFLVFPLGTKHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;ETGSAKVAFSAIRSTNHEPSEMSNRTMIIYFDQVLVNIGNNFDSERSTFIAPRKGIYSFNFHVVKVYNRQTIQVSLMLNG WPVISAFAGDQDVTREAASNGVLIQMEKGDRAYLKLERGNLMGGWKYSTFSGFLVFPLGTKHHHHHH ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLU n 1 2 THR n 1 3 GLY n 1 4 SER n 1 5 ALA n 1 6 LYS n 1 7 VAL n 1 8 ALA n 1 9 PHE n 1 10 SER n 1 11 ALA n 1 12 ILE n 1 13 ARG n 1 14 SER n 1 15 THR n 1 16 ASN n 1 17 HIS n 1 18 GLU n 1 19 PRO n 1 20 SER n 1 21 GLU n 1 22 MET n 1 23 SER n 1 24 ASN n 1 25 ARG n 1 26 THR n 1 27 MET n 1 28 ILE n 1 29 ILE n 1 30 TYR n 1 31 PHE n 1 32 ASP n 1 33 GLN n 1 34 VAL n 1 35 LEU n 1 36 VAL n 1 37 ASN n 1 38 ILE n 1 39 GLY n 1 40 ASN n 1 41 ASN n 1 42 PHE n 1 43 ASP n 1 44 SER n 1 45 GLU n 1 46 ARG n 1 47 SER n 1 48 THR n 1 49 PHE n 1 50 ILE n 1 51 ALA n 1 52 PRO n 1 53 ARG n 1 54 LYS n 1 55 GLY n 1 56 ILE n 1 57 TYR n 1 58 SER n 1 59 PHE n 1 60 ASN n 1 61 PHE n 1 62 HIS n 1 63 VAL n 1 64 VAL n 1 65 LYS n 1 66 VAL n 1 67 TYR n 1 68 ASN n 1 69 ARG n 1 70 GLN n 1 71 THR n 1 72 ILE n 1 73 GLN n 1 74 VAL n 1 75 SER n 1 76 LEU n 1 77 MET n 1 78 LEU n 1 79 ASN n 1 80 GLY n 1 81 TRP n 1 82 PRO n 1 83 VAL n 1 84 ILE n 1 85 SER n 1 86 ALA n 1 87 PHE n 1 88 ALA n 1 89 GLY n 1 90 ASP n 1 91 GLN n 1 92 ASP n 1 93 VAL n 1 94 THR n 1 95 ARG n 1 96 GLU n 1 97 ALA n 1 98 ALA n 1 99 SER n 1 100 ASN n 1 101 GLY n 1 102 VAL n 1 103 LEU n 1 104 ILE n 1 105 GLN n 1 106 MET n 1 107 GLU n 1 108 LYS n 1 109 GLY n 1 110 ASP n 1 111 ARG n 1 112 ALA n 1 113 TYR n 1 114 LEU n 1 115 LYS n 1 116 LEU n 1 117 GLU n 1 118 ARG n 1 119 GLY n 1 120 ASN n 1 121 LEU n 1 122 MET n 1 123 GLY n 1 124 GLY n 1 125 TRP n 1 126 LYS n 1 127 TYR n 1 128 SER n 1 129 THR n 1 130 PHE n 1 131 SER n 1 132 GLY n 1 133 PHE n 1 134 LEU n 1 135 VAL n 1 136 PHE n 1 137 PRO n 1 138 LEU n 1 139 GLY n 1 140 THR n 1 141 LYS n 1 142 HIS n 1 143 HIS n 1 144 HIS n 1 145 HIS n 1 146 HIS n 1 147 HIS 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 147 _entity_src_gen.gene_src_common_name Human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene CBLN1 _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 Human _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 HEK293S _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 pHLsec _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code CBLN1_HUMAN _struct_ref.pdbx_db_accession P23435 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;GSAKVAFSAIRSTNHEPSEMSNRTMIIYFDQVLVNIGNNFDSERSTFIAPRKGIYSFNFHVVKVYNRQTIQVSLMLNGWP VISAFAGDQDVTREAASNGVLIQMEKGDRAYLKLERGNLMGGWKYSTFSGFLVFPL ; _struct_ref.pdbx_align_begin 58 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 5KC5 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 3 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 138 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P23435 _struct_ref_seq.db_align_beg 58 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 193 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 58 _struct_ref_seq.pdbx_auth_seq_align_end 193 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 5KC5 GLU A 1 ? UNP P23435 ? ? 'expression tag' 56 1 1 5KC5 THR A 2 ? UNP P23435 ? ? 'expression tag' 57 2 1 5KC5 GLY A 139 ? UNP P23435 ? ? 'expression tag' 194 3 1 5KC5 THR A 140 ? UNP P23435 ? ? 'expression tag' 195 4 1 5KC5 LYS A 141 ? UNP P23435 ? ? 'expression tag' 196 5 1 5KC5 HIS A 142 ? UNP P23435 ? ? 'expression tag' 197 6 1 5KC5 HIS A 143 ? UNP P23435 ? ? 'expression tag' 198 7 1 5KC5 HIS A 144 ? UNP P23435 ? ? 'expression tag' 199 8 1 5KC5 HIS A 145 ? UNP P23435 ? ? 'expression tag' 200 9 1 5KC5 HIS A 146 ? UNP P23435 ? ? 'expression tag' 201 10 1 5KC5 HIS A 147 ? UNP P23435 ? ? 'expression tag' 202 11 # 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 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 5KC5 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.05 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 59.71 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH ? _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 '0.2 M sodium malonate pH 7.0, 20% (w/v) polyethylene glycol 3350' _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 'ADSC QUANTUM 315' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2010-08-06 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.07300 _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 'DIAMOND BEAMLINE I04' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.07300 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline I04 _diffrn_source.pdbx_synchrotron_site Diamond # _reflns.B_iso_Wilson_estimate 40.9 _reflns.entry_id 5KC5 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.35 _reflns.d_resolution_low 50.57 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 8497 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 100.0 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 8.1 _reflns.pdbx_Rmerge_I_obs 0.126 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 15.2 _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 0.998 _reflns.pdbx_R_split ? # _reflns_shell.d_res_high 2.35 _reflns_shell.d_res_low 2.41 _reflns_shell.meanI_over_sigI_all ? _reflns_shell.meanI_over_sigI_obs 1.8 _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 100.0 _reflns_shell.percent_possible_obs ? _reflns_shell.Rmerge_F_all ? _reflns_shell.Rmerge_F_obs ? _reflns_shell.Rmerge_I_all ? _reflns_shell.Rmerge_I_obs 1.263 _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 8.1 _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] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max ? _refine.B_iso_mean 45.3 _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details 'Refined with twin operator h, -h-k, -l to account for higher P622 metric symmetry' _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 5KC5 _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 2.351 _refine.ls_d_res_low 50.550 _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 8497 _refine.ls_number_reflns_R_free 407 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.98 _refine.ls_percent_reflns_R_free 4.79 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1814 _refine.ls_R_factor_R_free 0.1970 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.1774 _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 'FLAT BULK SOLVENT MODEL' _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 1.36 _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 'FREE R-VALUE' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 1GR3 _refine.pdbx_stereochemistry_target_values TWIN_LSQ_F _refine.pdbx_R_Free_selection_details ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _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 25.81 _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 ? _refine.overall_SU_ML ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1081 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 14 _refine_hist.number_atoms_solvent 55 _refine_hist.number_atoms_total 1150 _refine_hist.d_res_high 2.351 _refine_hist.d_res_low 50.550 # 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' ? 0.002 ? 1120 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 0.559 ? 1513 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 11.089 ? 405 ? f_dihedral_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.027 ? 165 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.002 ? 195 ? f_plane_restr ? ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _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 _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _refine_ls_shell.redundancy_reflns_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.wR_factor_all _refine_ls_shell.wR_factor_obs _refine_ls_shell.wR_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.pdbx_phase_error _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free 'X-RAY DIFFRACTION' 2.3519 2.6916 . . 144 2656 95.00 . . . 0.2961 . 0.2530 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.6916 3.3891 . . 130 2672 95.00 . . . 0.2323 . 0.2011 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.3891 21.7477 . . 133 2737 95.00 . . . 0.1704 . 0.1514 . . . . . . . . . . # _struct.entry_id 5KC5 _struct.title 'Crystal structure of the Cbln1 C1q domain trimer' _struct.pdbx_descriptor Cerebellin-1 _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 5KC5 _struct_keywords.text 'Cerebellin, C1q, neurotransmission, 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 2 ? C N N 3 ? # _struct_conf.conf_type_id HELX_P _struct_conf.id HELX_P1 _struct_conf.pdbx_PDB_helix_id AA1 _struct_conf.beg_label_comp_id MET _struct_conf.beg_label_asym_id A _struct_conf.beg_label_seq_id 22 _struct_conf.pdbx_beg_PDB_ins_code ? _struct_conf.end_label_comp_id MET _struct_conf.end_label_asym_id A _struct_conf.end_label_seq_id 27 _struct_conf.pdbx_end_PDB_ins_code ? _struct_conf.beg_auth_comp_id MET _struct_conf.beg_auth_asym_id A _struct_conf.beg_auth_seq_id 77 _struct_conf.end_auth_comp_id MET _struct_conf.end_auth_asym_id A _struct_conf.end_auth_seq_id 82 _struct_conf.pdbx_PDB_helix_class 1 _struct_conf.details ? _struct_conf.pdbx_PDB_helix_length 6 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _struct_conn.id covale1 _struct_conn.conn_type_id covale _struct_conn.pdbx_leaving_atom_flag one _struct_conn.pdbx_PDB_id ? _struct_conn.ptnr1_label_asym_id A _struct_conn.ptnr1_label_comp_id ASN _struct_conn.ptnr1_label_seq_id 24 _struct_conn.ptnr1_label_atom_id ND2 _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 1_555 _struct_conn.ptnr2_label_asym_id B _struct_conn.ptnr2_label_comp_id NAG _struct_conn.ptnr2_label_seq_id . _struct_conn.ptnr2_label_atom_id C1 _struct_conn.pdbx_ptnr2_label_alt_id ? _struct_conn.pdbx_ptnr2_PDB_ins_code ? _struct_conn.ptnr1_auth_asym_id A _struct_conn.ptnr1_auth_comp_id ASN _struct_conn.ptnr1_auth_seq_id 79 _struct_conn.ptnr2_auth_asym_id A _struct_conn.ptnr2_auth_comp_id NAG _struct_conn.ptnr2_auth_seq_id 301 _struct_conn.ptnr2_symmetry 1_555 _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 1.440 _struct_conn.pdbx_value_order ? # _struct_conn_type.id covale _struct_conn_type.criteria ? _struct_conn_type.reference ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 5 ? AA2 ? 5 ? # 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 AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? 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 GLN A 33 ? ILE A 38 ? GLN A 88 ILE A 93 AA1 2 ALA A 8 ? ILE A 12 ? ALA A 63 ILE A 67 AA1 3 THR A 129 ? PRO A 137 ? THR A 184 PRO A 192 AA1 4 GLY A 55 ? LYS A 65 ? GLY A 110 LYS A 120 AA1 5 GLU A 96 ? MET A 106 ? GLU A 151 MET A 161 AA2 1 PHE A 42 ? ASP A 43 ? PHE A 97 ASP A 98 AA2 2 THR A 48 ? ILE A 50 ? THR A 103 ILE A 105 AA2 3 ARG A 111 ? ARG A 118 ? ARG A 166 ARG A 173 AA2 4 ILE A 72 ? LEU A 78 ? ILE A 127 LEU A 133 AA2 5 TRP A 81 ? ALA A 88 ? TRP A 136 ALA A 143 # 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 O GLN A 33 ? O GLN A 88 N ILE A 12 ? N ILE A 67 AA1 2 3 N PHE A 9 ? N PHE A 64 O GLY A 132 ? O GLY A 187 AA1 3 4 O PHE A 133 ? O PHE A 188 N SER A 58 ? N SER A 113 AA1 4 5 N TYR A 57 ? N TYR A 112 O ILE A 104 ? O ILE A 159 AA2 1 2 N ASP A 43 ? N ASP A 98 O THR A 48 ? O THR A 103 AA2 2 3 N PHE A 49 ? N PHE A 104 O ALA A 112 ? O ALA A 167 AA2 3 4 O TYR A 113 ? O TYR A 168 N MET A 77 ? N MET A 132 AA2 4 5 N LEU A 78 ? N LEU A 133 O TRP A 81 ? O TRP A 136 # _struct_site.id AC1 _struct_site.pdbx_evidence_code Software _struct_site.pdbx_auth_asym_id A _struct_site.pdbx_auth_comp_id NAG _struct_site.pdbx_auth_seq_id 301 _struct_site.pdbx_auth_ins_code ? _struct_site.pdbx_num_residues 3 _struct_site.details 'binding site for Mono-Saccharide NAG A 301 bound to ASN A 79' # 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 3 GLU A 21 ? GLU A 76 . ? 1_555 ? 2 AC1 3 ASN A 24 ? ASN A 79 . ? 1_555 ? 3 AC1 3 MET A 122 ? MET A 177 . ? 1_555 ? # _atom_sites.entry_id 5KC5 _atom_sites.fract_transf_matrix[1][1] 0.011983 _atom_sites.fract_transf_matrix[1][2] 0.006919 _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] 0.013837 _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] 0.019782 _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 . GLY A 1 3 ? -28.313 28.821 -46.827 1.00 67.48 ? 58 GLY A N 1 ATOM 2 C CA . GLY A 1 3 ? -28.488 27.762 -47.804 1.00 67.10 ? 58 GLY A CA 1 ATOM 3 C C . GLY A 1 3 ? -29.539 26.754 -47.380 1.00 68.35 ? 58 GLY A C 1 ATOM 4 O O . GLY A 1 3 ? -30.684 26.811 -47.829 1.00 66.44 ? 58 GLY A O 1 ATOM 5 N N . SER A 1 4 ? -29.146 25.827 -46.512 1.00 68.99 ? 59 SER A N 1 ATOM 6 C CA . SER A 1 4 ? -30.055 24.794 -46.026 1.00 68.39 ? 59 SER A CA 1 ATOM 7 C C . SER A 1 4 ? -31.125 25.390 -45.119 1.00 58.66 ? 59 SER A C 1 ATOM 8 O O . SER A 1 4 ? -30.822 26.189 -44.232 1.00 56.02 ? 59 SER A O 1 ATOM 9 C CB . SER A 1 4 ? -29.282 23.712 -45.271 1.00 73.40 ? 59 SER A CB 1 ATOM 10 O OG . SER A 1 4 ? -30.129 22.629 -44.926 1.00 74.14 ? 59 SER A OG 1 ATOM 11 N N . ALA A 1 5 ? -32.374 24.995 -45.348 1.00 51.87 ? 60 ALA A N 1 ATOM 12 C CA . ALA A 1 5 ? -33.494 25.462 -44.537 1.00 49.26 ? 60 ALA A CA 1 ATOM 13 C C . ALA A 1 5 ? -33.851 24.443 -43.456 1.00 45.90 ? 60 ALA A C 1 ATOM 14 O O . ALA A 1 5 ? -34.823 24.624 -42.721 1.00 45.87 ? 60 ALA A O 1 ATOM 15 C CB . ALA A 1 5 ? -34.700 25.745 -45.416 1.00 52.69 ? 60 ALA A CB 1 ATOM 16 N N . LYS A 1 6 ? -33.063 23.374 -43.369 1.00 43.27 ? 61 LYS A N 1 ATOM 17 C CA . LYS A 1 6 ? -33.247 22.352 -42.344 1.00 34.11 ? 61 LYS A CA 1 ATOM 18 C C . LYS A 1 6 ? -32.164 22.484 -41.280 1.00 36.74 ? 61 LYS A C 1 ATOM 19 O O . LYS A 1 6 ? -31.033 22.037 -41.473 1.00 40.73 ? 61 LYS A O 1 ATOM 20 C CB . LYS A 1 6 ? -33.221 20.954 -42.964 1.00 34.07 ? 61 LYS A CB 1 ATOM 21 C CG . LYS A 1 6 ? -34.336 20.708 -43.969 1.00 37.08 ? 61 LYS A CG 1 ATOM 22 C CD . LYS A 1 6 ? -34.342 19.269 -44.456 1.00 41.56 ? 61 LYS A CD 1 ATOM 23 C CE . LYS A 1 6 ? -35.522 19.000 -45.378 1.00 45.70 ? 61 LYS A CE 1 ATOM 24 N NZ . LYS A 1 6 ? -35.606 17.568 -45.781 1.00 51.33 ? 61 LYS A NZ 1 ATOM 25 N N . VAL A 1 7 ? -32.521 23.104 -40.159 1.00 34.36 ? 62 VAL A N 1 ATOM 26 C CA . VAL A 1 7 ? -31.571 23.382 -39.088 1.00 35.36 ? 62 VAL A CA 1 ATOM 27 C C . VAL A 1 7 ? -32.194 23.097 -37.725 1.00 33.59 ? 62 VAL A C 1 ATOM 28 O O . VAL A 1 7 ? -33.241 23.647 -37.384 1.00 34.24 ? 62 VAL A O 1 ATOM 29 C CB . VAL A 1 7 ? -31.089 24.848 -39.133 1.00 38.49 ? 62 VAL A CB 1 ATOM 30 C CG1 . VAL A 1 7 ? -30.068 25.120 -38.033 1.00 36.60 ? 62 VAL A CG1 1 ATOM 31 C CG2 . VAL A 1 7 ? -30.498 25.173 -40.499 1.00 38.20 ? 62 VAL A CG2 1 ATOM 32 N N . ALA A 1 8 ? -31.541 22.238 -36.950 1.00 28.41 ? 63 ALA A N 1 ATOM 33 C CA . ALA A 1 8 ? -32.014 21.901 -35.614 1.00 32.80 ? 63 ALA A CA 1 ATOM 34 C C . ALA A 1 8 ? -30.907 21.261 -34.787 1.00 34.64 ? 63 ALA A C 1 ATOM 35 O O . ALA A 1 8 ? -30.030 20.585 -35.326 1.00 39.53 ? 63 ALA A O 1 ATOM 36 C CB . ALA A 1 8 ? -33.213 20.970 -35.696 1.00 31.06 ? 63 ALA A CB 1 ATOM 37 N N . PHE A 1 9 ? -30.953 21.479 -33.477 1.00 34.73 ? 64 PHE A N 1 ATOM 38 C CA . PHE A 1 9 ? -30.003 20.855 -32.566 1.00 33.68 ? 64 PHE A CA 1 ATOM 39 C C . PHE A 1 9 ? -30.701 20.445 -31.277 1.00 27.84 ? 64 PHE A C 1 ATOM 40 O O . PHE A 1 9 ? -31.750 20.985 -30.925 1.00 27.85 ? 64 PHE A O 1 ATOM 41 C CB . PHE A 1 9 ? -28.837 21.800 -32.259 1.00 31.54 ? 64 PHE A CB 1 ATOM 42 C CG . PHE A 1 9 ? -29.159 22.853 -31.238 1.00 32.63 ? 64 PHE A CG 1 ATOM 43 C CD1 . PHE A 1 9 ? -29.690 24.073 -31.623 1.00 34.07 ? 64 PHE A CD1 1 ATOM 44 C CD2 . PHE A 1 9 ? -28.926 22.625 -29.891 1.00 29.16 ? 64 PHE A CD2 1 ATOM 45 C CE1 . PHE A 1 9 ? -29.985 25.042 -30.684 1.00 32.76 ? 64 PHE A CE1 1 ATOM 46 C CE2 . PHE A 1 9 ? -29.221 23.589 -28.949 1.00 25.05 ? 64 PHE A CE2 1 ATOM 47 C CZ . PHE A 1 9 ? -29.750 24.799 -29.345 1.00 29.31 ? 64 PHE A CZ 1 ATOM 48 N N . SER A 1 10 ? -30.109 19.481 -30.582 1.00 28.18 ? 65 SER A N 1 ATOM 49 C CA . SER A 1 10 ? -30.642 19.006 -29.314 1.00 29.95 ? 65 SER A CA 1 ATOM 50 C C . SER A 1 10 ? -29.536 18.356 -28.490 1.00 27.40 ? 65 SER A C 1 ATOM 51 O O . SER A 1 10 ? -28.856 17.444 -28.961 1.00 32.45 ? 65 SER A O 1 ATOM 52 C CB . SER A 1 10 ? -31.780 18.015 -29.549 1.00 37.15 ? 65 SER A CB 1 ATOM 53 O OG . SER A 1 10 ? -32.295 17.535 -28.322 1.00 45.34 ? 65 SER A OG 1 ATOM 54 N N . ALA A 1 11 ? -29.362 18.835 -27.262 1.00 27.45 ? 66 ALA A N 1 ATOM 55 C CA . ALA A 1 11 ? -28.304 18.345 -26.386 1.00 31.27 ? 66 ALA A CA 1 ATOM 56 C C . ALA A 1 11 ? -28.830 18.115 -24.974 1.00 34.61 ? 66 ALA A C 1 ATOM 57 O O . ALA A 1 11 ? -29.762 18.790 -24.532 1.00 31.21 ? 66 ALA A O 1 ATOM 58 C CB . ALA A 1 11 ? -27.142 19.325 -26.366 1.00 30.44 ? 66 ALA A CB 1 ATOM 59 N N . ILE A 1 12 ? -28.225 17.159 -24.272 1.00 36.15 ? 67 ILE A N 1 ATOM 60 C CA . ILE A 1 12 ? -28.636 16.822 -22.914 1.00 36.01 ? 67 ILE A CA 1 ATOM 61 C C . ILE A 1 12 ? -27.431 16.620 -22.000 1.00 32.46 ? 67 ILE A C 1 ATOM 62 O O . ILE A 1 12 ? -26.334 16.305 -22.462 1.00 30.28 ? 67 ILE A O 1 ATOM 63 C CB . ILE A 1 12 ? -29.508 15.544 -22.886 1.00 42.41 ? 67 ILE A CB 1 ATOM 64 C CG1 . ILE A 1 12 ? -28.706 14.324 -23.359 1.00 51.75 ? 67 ILE A CG1 1 ATOM 65 C CG2 . ILE A 1 12 ? -30.750 15.736 -23.748 1.00 41.58 ? 67 ILE A CG2 1 ATOM 66 C CD1 . ILE A 1 12 ? -29.430 13.002 -23.184 1.00 58.25 ? 67 ILE A CD1 1 ATOM 67 N N . ARG A 1 13 ? -27.652 16.809 -20.703 1.00 28.51 ? 68 ARG A N 1 ATOM 68 C CA . ARG A 1 13 ? -26.654 16.502 -19.685 1.00 28.47 ? 68 ARG A CA 1 ATOM 69 C C . ARG A 1 13 ? -26.952 15.126 -19.103 1.00 32.67 ? 68 ARG A C 1 ATOM 70 O O . ARG A 1 13 ? -27.985 14.929 -18.463 1.00 34.84 ? 68 ARG A O 1 ATOM 71 C CB . ARG A 1 13 ? -26.654 17.564 -18.584 1.00 32.47 ? 68 ARG A CB 1 ATOM 72 C CG . ARG A 1 13 ? -25.625 17.330 -17.488 1.00 33.18 ? 68 ARG A CG 1 ATOM 73 C CD . ARG A 1 13 ? -24.208 17.388 -18.030 1.00 37.41 ? 68 ARG A CD 1 ATOM 74 N NE . ARG A 1 13 ? -23.214 17.382 -16.961 1.00 46.18 ? 68 ARG A NE 1 ATOM 75 C CZ . ARG A 1 13 ? -21.907 17.232 -17.153 1.00 43.12 ? 68 ARG A CZ 1 ATOM 76 N NH1 . ARG A 1 13 ? -21.424 17.064 -18.377 1.00 39.36 ? 68 ARG A NH1 1 ATOM 77 N NH2 . ARG A 1 13 ? -21.081 17.243 -16.116 1.00 45.19 ? 68 ARG A NH2 1 ATOM 78 N N . SER A 1 14 ? -26.042 14.183 -19.325 1.00 37.04 ? 69 SER A N 1 ATOM 79 C CA . SER A 1 14 ? -26.284 12.783 -18.988 1.00 43.49 ? 69 SER A CA 1 ATOM 80 C C . SER A 1 14 ? -25.490 12.303 -17.773 1.00 47.79 ? 69 SER A C 1 ATOM 81 O O . SER A 1 14 ? -25.279 11.101 -17.609 1.00 51.44 ? 69 SER A O 1 ATOM 82 C CB . SER A 1 14 ? -25.946 11.900 -20.190 1.00 44.00 ? 69 SER A CB 1 ATOM 83 O OG . SER A 1 14 ? -24.567 11.982 -20.506 1.00 45.86 ? 69 SER A OG 1 ATOM 84 N N . THR A 1 15 ? -25.052 13.228 -16.923 1.00 48.60 ? 70 THR A N 1 ATOM 85 C CA . THR A 1 15 ? -24.233 12.861 -15.768 1.00 52.17 ? 70 THR A CA 1 ATOM 86 C C . THR A 1 15 ? -24.396 13.826 -14.594 1.00 49.66 ? 70 THR A C 1 ATOM 87 O O . THR A 1 15 ? -24.754 14.991 -14.775 1.00 48.37 ? 70 THR A O 1 ATOM 88 C CB . THR A 1 15 ? -22.736 12.803 -16.144 1.00 59.26 ? 70 THR A CB 1 ATOM 89 O OG1 . THR A 1 15 ? -22.587 12.309 -17.481 1.00 62.41 ? 70 THR A OG1 1 ATOM 90 C CG2 . THR A 1 15 ? -21.977 11.897 -15.190 1.00 67.94 ? 70 THR A CG2 1 ATOM 91 N N . ASN A 1 16 ? -24.128 13.323 -13.391 1.00 49.60 ? 71 ASN A N 1 ATOM 92 C CA . ASN A 1 16 ? -24.144 14.132 -12.175 1.00 53.83 ? 71 ASN A CA 1 ATOM 93 C C . ASN A 1 16 ? -22.796 14.795 -11.899 1.00 48.88 ? 71 ASN A C 1 ATOM 94 O O . ASN A 1 16 ? -22.609 15.418 -10.853 1.00 49.99 ? 71 ASN A O 1 ATOM 95 C CB . ASN A 1 16 ? -24.536 13.271 -10.968 1.00 61.47 ? 71 ASN A CB 1 ATOM 96 C CG . ASN A 1 16 ? -25.994 12.851 -10.991 1.00 70.50 ? 71 ASN A CG 1 ATOM 97 O OD1 . ASN A 1 16 ? -26.855 13.576 -11.488 1.00 72.09 ? 71 ASN A OD1 1 ATOM 98 N ND2 . ASN A 1 16 ? -26.277 11.677 -10.439 1.00 74.09 ? 71 ASN A ND2 1 ATOM 99 N N . HIS A 1 17 ? -21.859 14.656 -12.833 1.00 44.77 ? 72 HIS A N 1 ATOM 100 C CA . HIS A 1 17 ? -20.505 15.172 -12.646 1.00 49.65 ? 72 HIS A CA 1 ATOM 101 C C . HIS A 1 17 ? -20.499 16.680 -12.418 1.00 45.66 ? 72 HIS A C 1 ATOM 102 O O . HIS A 1 17 ? -21.370 17.398 -12.907 1.00 46.33 ? 72 HIS A O 1 ATOM 103 C CB . HIS A 1 17 ? -19.630 14.819 -13.850 1.00 57.34 ? 72 HIS A CB 1 ATOM 104 C CG . HIS A 1 17 ? -19.260 13.369 -13.922 1.00 64.10 ? 72 HIS A CG 1 ATOM 105 N ND1 . HIS A 1 17 ? -18.582 12.826 -14.990 1.00 66.86 ? 72 HIS A ND1 1 ATOM 106 C CD2 . HIS A 1 17 ? -19.473 12.352 -13.053 1.00 66.71 ? 72 HIS A CD2 1 ATOM 107 C CE1 . HIS A 1 17 ? -18.393 11.534 -14.779 1.00 67.67 ? 72 HIS A CE1 1 ATOM 108 N NE2 . HIS A 1 17 ? -18.925 11.222 -13.612 1.00 66.42 ? 72 HIS A NE2 1 ATOM 109 N N . GLU A 1 18 ? -19.507 17.148 -11.669 1.00 42.78 ? 73 GLU A N 1 ATOM 110 C CA . GLU A 1 18 ? -19.447 18.541 -11.247 1.00 45.00 ? 73 GLU A CA 1 ATOM 111 C C . GLU A 1 18 ? -19.028 19.467 -12.387 1.00 40.52 ? 73 GLU A C 1 ATOM 112 O O . GLU A 1 18 ? -18.510 19.006 -13.404 1.00 37.24 ? 73 GLU A O 1 ATOM 113 C CB . GLU A 1 18 ? -18.477 18.689 -10.072 1.00 53.79 ? 73 GLU A CB 1 ATOM 114 C CG . GLU A 1 18 ? -18.830 17.830 -8.867 1.00 60.53 ? 73 GLU A CG 1 ATOM 115 C CD . GLU A 1 18 ? -20.167 18.203 -8.253 1.00 66.80 ? 73 GLU A CD 1 ATOM 116 O OE1 . GLU A 1 18 ? -20.415 19.410 -8.053 1.00 65.22 ? 73 GLU A OE1 1 ATOM 117 O OE2 . GLU A 1 18 ? -20.971 17.287 -7.976 1.00 71.04 ? 73 GLU A OE2 1 ATOM 118 N N . PRO A 1 19 ? -19.260 20.781 -12.222 1.00 39.96 ? 74 PRO A N 1 ATOM 119 C CA . PRO A 1 19 ? -18.819 21.761 -13.222 1.00 41.34 ? 74 PRO A CA 1 ATOM 120 C C . PRO A 1 19 ? -17.304 21.762 -13.409 1.00 43.44 ? 74 PRO A C 1 ATOM 121 O O . PRO A 1 19 ? -16.567 21.503 -12.458 1.00 44.11 ? 74 PRO A O 1 ATOM 122 C CB . PRO A 1 19 ? -19.292 23.098 -12.639 1.00 45.06 ? 74 PRO A CB 1 ATOM 123 C CG . PRO A 1 19 ? -20.388 22.748 -11.703 1.00 45.93 ? 74 PRO A CG 1 ATOM 124 C CD . PRO A 1 19 ? -20.024 21.416 -11.134 1.00 44.52 ? 74 PRO A CD 1 ATOM 125 N N . SER A 1 20 ? -16.853 22.051 -14.625 1.00 45.52 ? 75 SER A N 1 ATOM 126 C CA . SER A 1 20 ? -15.426 22.106 -14.919 1.00 49.21 ? 75 SER A CA 1 ATOM 127 C C . SER A 1 20 ? -14.819 23.404 -14.402 1.00 52.09 ? 75 SER A C 1 ATOM 128 O O . SER A 1 20 ? -15.533 24.294 -13.939 1.00 51.44 ? 75 SER A O 1 ATOM 129 C CB . SER A 1 20 ? -15.182 21.976 -16.423 1.00 52.15 ? 75 SER A CB 1 ATOM 130 O OG . SER A 1 20 ? -15.729 23.078 -17.127 1.00 53.43 ? 75 SER A OG 1 ATOM 131 N N . GLU A 1 21 ? -13.497 23.507 -14.485 1.00 58.01 ? 76 GLU A N 1 ATOM 132 C CA . GLU A 1 21 ? -12.795 24.705 -14.045 1.00 58.64 ? 76 GLU A CA 1 ATOM 133 C C . GLU A 1 21 ? -13.111 25.862 -14.987 1.00 48.81 ? 76 GLU A C 1 ATOM 134 O O . GLU A 1 21 ? -13.277 27.001 -14.551 1.00 45.39 ? 76 GLU A O 1 ATOM 135 C CB . GLU A 1 21 ? -11.286 24.448 -13.982 1.00 71.50 ? 76 GLU A CB 1 ATOM 136 C CG . GLU A 1 21 ? -10.489 25.510 -13.222 1.00 84.94 ? 76 GLU A CG 1 ATOM 137 C CD . GLU A 1 21 ? -10.077 26.701 -14.077 1.00 94.88 ? 76 GLU A CD 1 ATOM 138 O OE1 . GLU A 1 21 ? -10.300 26.680 -15.306 1.00 97.32 ? 76 GLU A OE1 1 ATOM 139 O OE2 . GLU A 1 21 ? -9.517 27.664 -13.511 1.00 95.95 ? 76 GLU A OE2 1 ATOM 140 N N . MET A 1 22 ? -13.203 25.560 -16.278 1.00 45.20 ? 77 MET A N 1 ATOM 141 C CA . MET A 1 22 ? -13.508 26.571 -17.283 1.00 45.86 ? 77 MET A CA 1 ATOM 142 C C . MET A 1 22 ? -14.974 26.986 -17.201 1.00 52.06 ? 77 MET A C 1 ATOM 143 O O . MET A 1 22 ? -15.316 28.139 -17.463 1.00 47.69 ? 77 MET A O 1 ATOM 144 C CB . MET A 1 22 ? -13.185 26.048 -18.685 1.00 49.26 ? 77 MET A CB 1 ATOM 145 C CG . MET A 1 22 ? -13.427 27.053 -19.807 1.00 52.08 ? 77 MET A CG 1 ATOM 146 S SD . MET A 1 22 ? -12.506 28.593 -19.611 1.00 56.37 ? 77 MET A SD 1 ATOM 147 C CE . MET A 1 22 ? -10.816 28.006 -19.716 1.00 121.62 ? 77 MET A CE 1 ATOM 148 N N . SER A 1 23 ? -15.836 26.041 -16.841 1.00 58.07 ? 78 SER A N 1 ATOM 149 C CA . SER A 1 23 ? -17.254 26.331 -16.669 1.00 57.34 ? 78 SER A CA 1 ATOM 150 C C . SER A 1 23 ? -17.464 27.226 -15.453 1.00 54.81 ? 78 SER A C 1 ATOM 151 O O . SER A 1 23 ? -18.367 28.062 -15.435 1.00 53.89 ? 78 SER A O 1 ATOM 152 C CB . SER A 1 23 ? -18.056 25.037 -16.524 1.00 60.05 ? 78 SER A CB 1 ATOM 153 O OG . SER A 1 23 ? -18.040 24.292 -17.730 1.00 62.54 ? 78 SER A OG 1 ATOM 154 N N . ASN A 1 24 ? -16.622 27.045 -14.440 1.00 54.43 ? 79 ASN A N 1 ATOM 155 C CA . ASN A 1 24 ? -16.650 27.894 -13.255 1.00 56.62 ? 79 ASN A CA 1 ATOM 156 C C . ASN A 1 24 ? -16.319 29.348 -13.596 1.00 49.39 ? 79 ASN A C 1 ATOM 157 O O . ASN A 1 24 ? -16.678 30.263 -12.855 1.00 52.17 ? 79 ASN A O 1 ATOM 158 C CB . ASN A 1 24 ? -15.668 27.370 -12.199 1.00 65.83 ? 79 ASN A CB 1 ATOM 159 C CG . ASN A 1 24 ? -16.340 26.507 -11.137 1.00 73.19 ? 79 ASN A CG 1 ATOM 160 O OD1 . ASN A 1 24 ? -17.435 25.978 -11.339 1.00 70.11 ? 79 ASN A OD1 1 ATOM 161 N ND2 . ASN A 1 24 ? -15.673 26.363 -9.995 1.00 83.05 ? 79 ASN A ND2 1 ATOM 162 N N . ARG A 1 25 ? -15.637 29.550 -14.722 1.00 40.48 ? 80 ARG A N 1 ATOM 163 C CA . ARG A 1 25 ? -15.232 30.885 -15.156 1.00 40.09 ? 80 ARG A CA 1 ATOM 164 C C . ARG A 1 25 ? -16.258 31.534 -16.083 1.00 40.99 ? 80 ARG A C 1 ATOM 165 O O . ARG A 1 25 ? -16.634 32.691 -15.892 1.00 43.14 ? 80 ARG A O 1 ATOM 166 C CB . ARG A 1 25 ? -13.880 30.827 -15.869 1.00 42.73 ? 80 ARG A CB 1 ATOM 167 C CG . ARG A 1 25 ? -12.704 30.486 -14.968 1.00 47.16 ? 80 ARG A CG 1 ATOM 168 C CD . ARG A 1 25 ? -11.383 30.697 -15.693 1.00 46.74 ? 80 ARG A CD 1 ATOM 169 N NE . ARG A 1 25 ? -11.137 32.108 -15.981 1.00 42.11 ? 80 ARG A NE 1 ATOM 170 C CZ . ARG A 1 25 ? -10.173 32.557 -16.779 1.00 47.24 ? 80 ARG A CZ 1 ATOM 171 N NH1 . ARG A 1 25 ? -9.355 31.709 -17.388 1.00 46.87 ? 80 ARG A NH1 1 ATOM 172 N NH2 . ARG A 1 25 ? -10.031 33.861 -16.976 1.00 55.03 ? 80 ARG A NH2 1 ATOM 173 N N . THR A 1 26 ? -16.698 30.787 -17.091 1.00 38.83 ? 81 THR A N 1 ATOM 174 C CA . THR A 1 26 ? -17.590 31.322 -18.116 1.00 38.65 ? 81 THR A CA 1 ATOM 175 C C . THR A 1 26 ? -19.053 31.327 -17.679 1.00 39.13 ? 81 THR A C 1 ATOM 176 O O . THR A 1 26 ? -19.871 32.048 -18.249 1.00 36.71 ? 81 THR A O 1 ATOM 177 C CB . THR A 1 26 ? -17.479 30.518 -19.426 1.00 39.00 ? 81 THR A CB 1 ATOM 178 O OG1 . THR A 1 26 ? -17.926 29.174 -19.209 1.00 42.14 ? 81 THR A OG1 1 ATOM 179 C CG2 . THR A 1 26 ? -16.043 30.499 -19.925 1.00 42.12 ? 81 THR A CG2 1 ATOM 180 N N . MET A 1 27 ? -19.371 30.513 -16.675 1.00 40.57 ? 82 MET A N 1 ATOM 181 C CA . MET A 1 27 ? -20.743 30.348 -16.191 1.00 42.91 ? 82 MET A CA 1 ATOM 182 C C . MET A 1 27 ? -21.674 29.815 -17.283 1.00 39.01 ? 82 MET A C 1 ATOM 183 O O . MET A 1 27 ? -22.896 29.866 -17.144 1.00 38.94 ? 82 MET A O 1 ATOM 184 C CB . MET A 1 27 ? -21.289 31.672 -15.643 1.00 49.93 ? 82 MET A CB 1 ATOM 185 C CG . MET A 1 27 ? -20.429 32.309 -14.558 1.00 54.22 ? 82 MET A CG 1 ATOM 186 S SD . MET A 1 27 ? -20.000 31.177 -13.218 1.00 145.70 ? 82 MET A SD 1 ATOM 187 C CE . MET A 1 27 ? -21.619 30.604 -12.705 1.00 61.12 ? 82 MET A CE 1 ATOM 188 N N . ILE A 1 28 ? -21.092 29.293 -18.359 1.00 35.89 ? 83 ILE A N 1 ATOM 189 C CA . ILE A 1 28 ? -21.863 28.720 -19.456 1.00 37.03 ? 83 ILE A CA 1 ATOM 190 C C . ILE A 1 28 ? -22.150 27.250 -19.169 1.00 41.47 ? 83 ILE A C 1 ATOM 191 O O . ILE A 1 28 ? -21.271 26.510 -18.726 1.00 41.35 ? 83 ILE A O 1 ATOM 192 C CB . ILE A 1 28 ? -21.122 28.867 -20.801 1.00 33.23 ? 83 ILE A CB 1 ATOM 193 C CG1 . ILE A 1 28 ? -21.048 30.345 -21.191 1.00 37.38 ? 83 ILE A CG1 1 ATOM 194 C CG2 . ILE A 1 28 ? -21.822 28.076 -21.902 1.00 34.94 ? 83 ILE A CG2 1 ATOM 195 C CD1 . ILE A 1 28 ? -20.102 30.644 -22.335 1.00 38.85 ? 83 ILE A CD1 1 ATOM 196 N N . ILE A 1 29 ? -23.385 26.837 -19.429 1.00 37.34 ? 84 ILE A N 1 ATOM 197 C CA . ILE A 1 29 ? -23.833 25.490 -19.101 1.00 33.43 ? 84 ILE A CA 1 ATOM 198 C C . ILE A 1 29 ? -23.481 24.514 -20.220 1.00 28.36 ? 84 ILE A C 1 ATOM 199 O O . ILE A 1 29 ? -23.836 24.728 -21.380 1.00 27.71 ? 84 ILE A O 1 ATOM 200 C CB . ILE A 1 29 ? -25.352 25.463 -18.837 1.00 37.80 ? 84 ILE A CB 1 ATOM 201 C CG1 . ILE A 1 29 ? -25.703 26.456 -17.724 1.00 37.35 ? 84 ILE A CG1 1 ATOM 202 C CG2 . ILE A 1 29 ? -25.807 24.055 -18.460 1.00 38.66 ? 84 ILE A CG2 1 ATOM 203 C CD1 . ILE A 1 29 ? -27.187 26.669 -17.521 1.00 41.85 ? 84 ILE A CD1 1 ATOM 204 N N . TYR A 1 30 ? -22.787 23.440 -19.854 1.00 26.62 ? 85 TYR A N 1 ATOM 205 C CA . TYR A 1 30 ? -22.279 22.472 -20.819 1.00 27.49 ? 85 TYR A CA 1 ATOM 206 C C . TYR A 1 30 ? -23.203 21.265 -20.966 1.00 28.86 ? 85 TYR A C 1 ATOM 207 O O . TYR A 1 30 ? -23.819 20.820 -19.997 1.00 27.06 ? 85 TYR A O 1 ATOM 208 C CB . TYR A 1 30 ? -20.878 22.010 -20.407 1.00 33.75 ? 85 TYR A CB 1 ATOM 209 C CG . TYR A 1 30 ? -20.309 20.907 -21.271 1.00 39.79 ? 85 TYR A CG 1 ATOM 210 C CD1 . TYR A 1 30 ? -19.856 21.168 -22.558 1.00 41.27 ? 85 TYR A CD1 1 ATOM 211 C CD2 . TYR A 1 30 ? -20.216 19.605 -20.797 1.00 44.56 ? 85 TYR A CD2 1 ATOM 212 C CE1 . TYR A 1 30 ? -19.334 20.163 -23.350 1.00 47.66 ? 85 TYR A CE1 1 ATOM 213 C CE2 . TYR A 1 30 ? -19.695 18.593 -21.581 1.00 47.73 ? 85 TYR A CE2 1 ATOM 214 C CZ . TYR A 1 30 ? -19.255 18.878 -22.856 1.00 51.20 ? 85 TYR A CZ 1 ATOM 215 O OH . TYR A 1 30 ? -18.735 17.874 -23.641 1.00 56.67 ? 85 TYR A OH 1 ATOM 216 N N . PHE A 1 31 ? -23.289 20.748 -22.189 1.00 33.89 ? 86 PHE A N 1 ATOM 217 C CA . PHE A 1 31 ? -24.080 19.558 -22.491 1.00 37.53 ? 86 PHE A CA 1 ATOM 218 C C . PHE A 1 31 ? -23.220 18.542 -23.238 1.00 37.97 ? 86 PHE A C 1 ATOM 219 O O . PHE A 1 31 ? -22.821 18.771 -24.379 1.00 43.29 ? 86 PHE A O 1 ATOM 220 C CB . PHE A 1 31 ? -25.314 19.928 -23.316 1.00 35.61 ? 86 PHE A CB 1 ATOM 221 C CG . PHE A 1 31 ? -26.251 20.868 -22.612 1.00 36.15 ? 86 PHE A CG 1 ATOM 222 C CD1 . PHE A 1 31 ? -26.035 22.236 -22.645 1.00 37.42 ? 86 PHE A CD1 1 ATOM 223 C CD2 . PHE A 1 31 ? -27.346 20.384 -21.916 1.00 32.19 ? 86 PHE A CD2 1 ATOM 224 C CE1 . PHE A 1 31 ? -26.895 23.104 -21.995 1.00 37.00 ? 86 PHE A CE1 1 ATOM 225 C CE2 . PHE A 1 31 ? -28.208 21.247 -21.266 1.00 28.10 ? 86 PHE A CE2 1 ATOM 226 C CZ . PHE A 1 31 ? -27.982 22.607 -21.305 1.00 31.03 ? 86 PHE A CZ 1 ATOM 227 N N . ASP A 1 32 ? -22.940 17.418 -22.586 1.00 38.97 ? 87 ASP A N 1 ATOM 228 C CA . ASP A 1 32 ? -21.995 16.439 -23.113 1.00 42.29 ? 87 ASP A CA 1 ATOM 229 C C . ASP A 1 32 ? -22.565 15.622 -24.271 1.00 44.32 ? 87 ASP A C 1 ATOM 230 O O . ASP A 1 32 ? -21.839 15.274 -25.204 1.00 51.54 ? 87 ASP A O 1 ATOM 231 C CB . ASP A 1 32 ? -21.542 15.497 -21.997 1.00 40.66 ? 87 ASP A CB 1 ATOM 232 C CG . ASP A 1 32 ? -22.684 14.684 -21.422 1.00 42.54 ? 87 ASP A CG 1 ATOM 233 O OD1 . ASP A 1 32 ? -23.338 15.164 -20.475 1.00 38.59 ? 87 ASP A OD1 1 ATOM 234 O OD2 . ASP A 1 32 ? -22.928 13.564 -21.918 1.00 52.22 ? 87 ASP A OD2 1 ATOM 235 N N . GLN A 1 33 ? -23.859 15.318 -24.210 1.00 40.37 ? 88 GLN A N 1 ATOM 236 C CA . GLN A 1 33 ? -24.496 14.473 -25.215 1.00 41.16 ? 88 GLN A CA 1 ATOM 237 C C . GLN A 1 33 ? -25.349 15.283 -26.185 1.00 36.52 ? 88 GLN A C 1 ATOM 238 O O . GLN A 1 33 ? -26.303 15.947 -25.781 1.00 33.54 ? 88 GLN A O 1 ATOM 239 C CB . GLN A 1 33 ? -25.352 13.402 -24.538 1.00 44.50 ? 88 GLN A CB 1 ATOM 240 C CG . GLN A 1 33 ? -26.088 12.495 -25.512 1.00 52.67 ? 88 GLN A CG 1 ATOM 241 C CD . GLN A 1 33 ? -26.699 11.284 -24.836 1.00 59.39 ? 88 GLN A CD 1 ATOM 242 O OE1 . GLN A 1 33 ? -26.544 11.085 -23.631 1.00 60.37 ? 88 GLN A OE1 1 ATOM 243 N NE2 . GLN A 1 33 ? -27.401 10.465 -25.612 1.00 65.06 ? 88 GLN A NE2 1 ATOM 244 N N . VAL A 1 34 ? -24.996 15.213 -27.465 1.00 38.96 ? 89 VAL A N 1 ATOM 245 C CA . VAL A 1 34 ? -25.724 15.907 -28.522 1.00 36.63 ? 89 VAL A CA 1 ATOM 246 C C . VAL A 1 34 ? -26.529 14.907 -29.345 1.00 41.98 ? 89 VAL A C 1 ATOM 247 O O . VAL A 1 34 ? -25.968 14.132 -30.119 1.00 47.38 ? 89 VAL A O 1 ATOM 248 C CB . VAL A 1 34 ? -24.766 16.684 -29.446 1.00 37.72 ? 89 VAL A CB 1 ATOM 249 C CG1 . VAL A 1 34 ? -25.541 17.432 -30.529 1.00 36.54 ? 89 VAL A CG1 1 ATOM 250 C CG2 . VAL A 1 34 ? -23.918 17.653 -28.634 1.00 38.37 ? 89 VAL A CG2 1 ATOM 251 N N . LEU A 1 35 ? -27.847 14.933 -29.173 1.00 39.78 ? 90 LEU A N 1 ATOM 252 C CA . LEU A 1 35 ? -28.730 13.995 -29.857 1.00 40.59 ? 90 LEU A CA 1 ATOM 253 C C . LEU A 1 35 ? -28.974 14.396 -31.309 1.00 41.56 ? 90 LEU A C 1 ATOM 254 O O . LEU A 1 35 ? -29.069 13.540 -32.191 1.00 44.24 ? 90 LEU A O 1 ATOM 255 C CB . LEU A 1 35 ? -30.065 13.894 -29.117 1.00 41.33 ? 90 LEU A CB 1 ATOM 256 C CG . LEU A 1 35 ? -30.000 13.332 -27.695 1.00 44.77 ? 90 LEU A CG 1 ATOM 257 C CD1 . LEU A 1 35 ? -31.324 13.543 -26.980 1.00 50.45 ? 90 LEU A CD1 1 ATOM 258 C CD2 . LEU A 1 35 ? -29.635 11.856 -27.716 1.00 45.37 ? 90 LEU A CD2 1 ATOM 259 N N . VAL A 1 36 ? -29.078 15.700 -31.547 1.00 37.09 ? 91 VAL A N 1 ATOM 260 C CA . VAL A 1 36 ? -29.358 16.228 -32.878 1.00 37.18 ? 91 VAL A CA 1 ATOM 261 C C . VAL A 1 36 ? -28.448 17.413 -33.170 1.00 33.11 ? 91 VAL A C 1 ATOM 262 O O . VAL A 1 36 ? -28.125 18.192 -32.274 1.00 35.47 ? 91 VAL A O 1 ATOM 263 C CB . VAL A 1 36 ? -30.834 16.666 -33.011 1.00 38.38 ? 91 VAL A CB 1 ATOM 264 C CG1 . VAL A 1 36 ? -31.124 17.192 -34.413 1.00 36.23 ? 91 VAL A CG1 1 ATOM 265 C CG2 . VAL A 1 36 ? -31.764 15.508 -32.678 1.00 35.86 ? 91 VAL A CG2 1 ATOM 266 N N . ASN A 1 37 ? -28.034 17.544 -34.426 1.00 32.77 ? 92 ASN A N 1 ATOM 267 C CA . ASN A 1 37 ? -27.207 18.669 -34.839 1.00 35.71 ? 92 ASN A CA 1 ATOM 268 C C . ASN A 1 37 ? -27.179 18.808 -36.361 1.00 38.48 ? 92 ASN A C 1 ATOM 269 O O . ASN A 1 37 ? -26.114 18.810 -36.977 1.00 43.89 ? 92 ASN A O 1 ATOM 270 C CB . ASN A 1 37 ? -25.784 18.514 -34.290 1.00 32.80 ? 92 ASN A CB 1 ATOM 271 C CG . ASN A 1 37 ? -25.005 19.817 -34.305 1.00 33.96 ? 92 ASN A CG 1 ATOM 272 O OD1 . ASN A 1 37 ? -25.542 20.873 -34.638 1.00 35.31 ? 92 ASN A OD1 1 ATOM 273 N ND2 . ASN A 1 37 ? -23.733 19.749 -33.927 1.00 30.18 ? 92 ASN A ND2 1 ATOM 274 N N . ILE A 1 38 ? -28.362 18.925 -36.958 1.00 38.82 ? 93 ILE A N 1 ATOM 275 C CA . ILE A 1 38 ? -28.483 19.097 -38.403 1.00 38.50 ? 93 ILE A CA 1 ATOM 276 C C . ILE A 1 38 ? -27.982 20.480 -38.807 1.00 40.87 ? 93 ILE A C 1 ATOM 277 O O . ILE A 1 38 ? -28.447 21.495 -38.284 1.00 38.30 ? 93 ILE A O 1 ATOM 278 C CB . ILE A 1 38 ? -29.940 18.923 -38.880 1.00 40.97 ? 93 ILE A CB 1 ATOM 279 C CG1 . ILE A 1 38 ? -30.534 17.615 -38.346 1.00 43.72 ? 93 ILE A CG1 1 ATOM 280 C CG2 . ILE A 1 38 ? -30.017 18.962 -40.404 1.00 44.88 ? 93 ILE A CG2 1 ATOM 281 C CD1 . ILE A 1 38 ? -29.769 16.365 -38.749 1.00 43.33 ? 93 ILE A CD1 1 ATOM 282 N N . GLY A 1 39 ? -27.038 20.511 -39.743 1.00 39.90 ? 94 GLY A N 1 ATOM 283 C CA . GLY A 1 39 ? -26.408 21.749 -40.164 1.00 39.53 ? 94 GLY A CA 1 ATOM 284 C C . GLY A 1 39 ? -25.072 21.950 -39.473 1.00 38.84 ? 94 GLY A C 1 ATOM 285 O O . GLY A 1 39 ? -24.236 22.727 -39.936 1.00 39.24 ? 94 GLY A O 1 ATOM 286 N N . ASN A 1 40 ? -24.878 21.245 -38.362 1.00 43.08 ? 95 ASN A N 1 ATOM 287 C CA . ASN A 1 40 ? -23.626 21.297 -37.614 1.00 48.62 ? 95 ASN A CA 1 ATOM 288 C C . ASN A 1 40 ? -23.356 22.700 -37.071 1.00 49.43 ? 95 ASN A C 1 ATOM 289 O O . ASN A 1 40 ? -22.206 23.109 -36.907 1.00 55.03 ? 95 ASN A O 1 ATOM 290 C CB . ASN A 1 40 ? -22.468 20.828 -38.500 1.00 55.34 ? 95 ASN A CB 1 ATOM 291 C CG . ASN A 1 40 ? -21.563 19.836 -37.798 1.00 65.22 ? 95 ASN A CG 1 ATOM 292 O OD1 . ASN A 1 40 ? -20.558 20.210 -37.193 1.00 68.63 ? 95 ASN A OD1 1 ATOM 293 N ND2 . ASN A 1 40 ? -21.918 18.559 -37.875 1.00 68.74 ? 95 ASN A ND2 1 ATOM 294 N N . ASN A 1 41 ? -24.431 23.425 -36.775 1.00 43.58 ? 96 ASN A N 1 ATOM 295 C CA . ASN A 1 41 ? -24.333 24.812 -36.339 1.00 39.91 ? 96 ASN A CA 1 ATOM 296 C C . ASN A 1 41 ? -24.229 24.961 -34.822 1.00 37.79 ? 96 ASN A C 1 ATOM 297 O O . ASN A 1 41 ? -24.063 26.071 -34.311 1.00 37.27 ? 96 ASN A O 1 ATOM 298 C CB . ASN A 1 41 ? -25.537 25.597 -36.856 1.00 41.86 ? 96 ASN A CB 1 ATOM 299 C CG . ASN A 1 41 ? -25.591 25.644 -38.371 1.00 43.92 ? 96 ASN A CG 1 ATOM 300 O OD1 . ASN A 1 41 ? -26.545 25.167 -38.986 1.00 43.49 ? 96 ASN A OD1 1 ATOM 301 N ND2 . ASN A 1 41 ? -24.559 26.214 -38.982 1.00 44.13 ? 96 ASN A ND2 1 ATOM 302 N N . PHE A 1 42 ? -24.321 23.843 -34.108 1.00 31.76 ? 97 PHE A N 1 ATOM 303 C CA . PHE A 1 42 ? -24.183 23.845 -32.656 1.00 32.63 ? 97 PHE A CA 1 ATOM 304 C C . PHE A 1 42 ? -22.783 23.397 -32.256 1.00 33.57 ? 97 PHE A C 1 ATOM 305 O O . PHE A 1 42 ? -22.380 22.269 -32.538 1.00 32.73 ? 97 PHE A O 1 ATOM 306 C CB . PHE A 1 42 ? -25.232 22.938 -32.013 1.00 33.91 ? 97 PHE A CB 1 ATOM 307 C CG . PHE A 1 42 ? -25.150 22.889 -30.513 1.00 35.80 ? 97 PHE A CG 1 ATOM 308 C CD1 . PHE A 1 42 ? -25.601 23.950 -29.746 1.00 36.26 ? 97 PHE A CD1 1 ATOM 309 C CD2 . PHE A 1 42 ? -24.625 21.780 -29.872 1.00 36.34 ? 97 PHE A CD2 1 ATOM 310 C CE1 . PHE A 1 42 ? -25.526 23.907 -28.366 1.00 32.94 ? 97 PHE A CE1 1 ATOM 311 C CE2 . PHE A 1 42 ? -24.549 21.730 -28.493 1.00 33.45 ? 97 PHE A CE2 1 ATOM 312 C CZ . PHE A 1 42 ? -25.001 22.795 -27.740 1.00 35.18 ? 97 PHE A CZ 1 ATOM 313 N N . ASP A 1 43 ? -22.044 24.291 -31.605 1.00 37.57 ? 98 ASP A N 1 ATOM 314 C CA . ASP A 1 43 ? -20.701 23.981 -31.128 1.00 42.44 ? 98 ASP A CA 1 ATOM 315 C C . ASP A 1 43 ? -20.787 23.254 -29.788 1.00 43.36 ? 98 ASP A C 1 ATOM 316 O O . ASP A 1 43 ? -20.950 23.879 -28.740 1.00 42.15 ? 98 ASP A O 1 ATOM 317 C CB . ASP A 1 43 ? -19.868 25.261 -31.001 1.00 44.95 ? 98 ASP A CB 1 ATOM 318 C CG . ASP A 1 43 ? -18.380 24.985 -30.875 1.00 48.03 ? 98 ASP A CG 1 ATOM 319 O OD1 . ASP A 1 43 ? -18.005 23.945 -30.294 1.00 52.24 ? 98 ASP A OD1 1 ATOM 320 O OD2 . ASP A 1 43 ? -17.581 25.814 -31.359 1.00 50.01 ? 98 ASP A OD2 1 ATOM 321 N N . SER A 1 44 ? -20.682 21.930 -29.833 1.00 47.62 ? 99 SER A N 1 ATOM 322 C CA . SER A 1 44 ? -20.803 21.104 -28.637 1.00 53.73 ? 99 SER A CA 1 ATOM 323 C C . SER A 1 44 ? -19.677 21.377 -27.647 1.00 48.98 ? 99 SER A C 1 ATOM 324 O O . SER A 1 44 ? -19.851 21.225 -26.438 1.00 47.44 ? 99 SER A O 1 ATOM 325 C CB . SER A 1 44 ? -20.813 19.622 -29.016 1.00 62.82 ? 99 SER A CB 1 ATOM 326 O OG . SER A 1 44 ? -19.593 19.247 -29.631 1.00 69.83 ? 99 SER A OG 1 ATOM 327 N N . GLU A 1 45 ? -18.521 21.777 -28.166 1.00 50.66 ? 100 GLU A N 1 ATOM 328 C CA . GLU A 1 45 ? -17.365 22.060 -27.326 1.00 51.61 ? 100 GLU A CA 1 ATOM 329 C C . GLU A 1 45 ? -17.605 23.303 -26.474 1.00 47.80 ? 100 GLU A C 1 ATOM 330 O O . GLU A 1 45 ? -17.079 23.416 -25.367 1.00 53.79 ? 100 GLU A O 1 ATOM 331 C CB . GLU A 1 45 ? -16.113 22.244 -28.187 1.00 60.19 ? 100 GLU A CB 1 ATOM 332 C CG . GLU A 1 45 ? -14.819 22.322 -27.390 1.00 71.32 ? 100 GLU A CG 1 ATOM 333 C CD . GLU A 1 45 ? -13.596 22.491 -28.272 1.00 80.45 ? 100 GLU A CD 1 ATOM 334 O OE1 . GLU A 1 45 ? -13.669 22.143 -29.470 1.00 84.82 ? 100 GLU A OE1 1 ATOM 335 O OE2 . GLU A 1 45 ? -12.561 22.975 -27.767 1.00 79.41 ? 100 GLU A OE2 1 ATOM 336 N N . ARG A 1 46 ? -18.407 24.226 -26.999 1.00 42.76 ? 101 ARG A N 1 ATOM 337 C CA . ARG A 1 46 ? -18.714 25.476 -26.310 1.00 45.57 ? 101 ARG A CA 1 ATOM 338 C C . ARG A 1 46 ? -20.195 25.577 -25.952 1.00 43.31 ? 101 ARG A C 1 ATOM 339 O O . ARG A 1 46 ? -20.619 26.541 -25.314 1.00 42.68 ? 101 ARG A O 1 ATOM 340 C CB . ARG A 1 46 ? -18.302 26.667 -27.177 1.00 49.57 ? 101 ARG A CB 1 ATOM 341 C CG . ARG A 1 46 ? -16.797 26.822 -27.323 1.00 56.66 ? 101 ARG A CG 1 ATOM 342 C CD . ARG A 1 46 ? -16.437 27.761 -28.459 1.00 62.37 ? 101 ARG A CD 1 ATOM 343 N NE . ARG A 1 46 ? -14.991 27.951 -28.567 1.00 69.47 ? 101 ARG A NE 1 ATOM 344 C CZ . ARG A 1 46 ? -14.321 29.005 -28.107 1.00 75.74 ? 101 ARG A CZ 1 ATOM 345 N NH1 . ARG A 1 46 ? -14.949 30.006 -27.503 1.00 75.46 ? 101 ARG A NH1 1 ATOM 346 N NH2 . ARG A 1 46 ? -13.005 29.065 -28.260 1.00 79.17 ? 101 ARG A NH2 1 ATOM 347 N N . SER A 1 47 ? -20.974 24.579 -26.363 1.00 37.95 ? 102 SER A N 1 ATOM 348 C CA . SER A 1 47 ? -22.402 24.529 -26.061 1.00 38.27 ? 102 SER A CA 1 ATOM 349 C C . SER A 1 47 ? -23.117 25.785 -26.549 1.00 37.40 ? 102 SER A C 1 ATOM 350 O O . SER A 1 47 ? -23.948 26.355 -25.840 1.00 39.17 ? 102 SER A O 1 ATOM 351 C CB . SER A 1 47 ? -22.623 24.348 -24.558 1.00 44.66 ? 102 SER A CB 1 ATOM 352 O OG . SER A 1 47 ? -21.948 23.197 -24.087 1.00 52.56 ? 102 SER A OG 1 ATOM 353 N N . THR A 1 48 ? -22.783 26.206 -27.765 1.00 35.07 ? 103 THR A N 1 ATOM 354 C CA . THR A 1 48 ? -23.329 27.427 -28.347 1.00 33.34 ? 103 THR A CA 1 ATOM 355 C C . THR A 1 48 ? -23.854 27.167 -29.755 1.00 32.66 ? 103 THR A C 1 ATOM 356 O O . THR A 1 48 ? -23.236 26.440 -30.534 1.00 30.44 ? 103 THR A O 1 ATOM 357 C CB . THR A 1 48 ? -22.264 28.545 -28.394 1.00 33.50 ? 103 THR A CB 1 ATOM 358 O OG1 . THR A 1 48 ? -21.811 28.833 -27.066 1.00 38.86 ? 103 THR A OG1 1 ATOM 359 C CG2 . THR A 1 48 ? -22.827 29.818 -29.015 1.00 30.07 ? 103 THR A CG2 1 ATOM 360 N N . PHE A 1 49 ? -25.001 27.764 -30.067 1.00 34.56 ? 104 PHE A N 1 ATOM 361 C CA . PHE A 1 49 ? -25.582 27.680 -31.401 1.00 37.00 ? 104 PHE A CA 1 ATOM 362 C C . PHE A 1 49 ? -25.303 28.949 -32.194 1.00 36.62 ? 104 PHE A C 1 ATOM 363 O O . PHE A 1 49 ? -25.626 30.050 -31.749 1.00 38.01 ? 104 PHE A O 1 ATOM 364 C CB . PHE A 1 49 ? -27.089 27.446 -31.318 1.00 36.41 ? 104 PHE A CB 1 ATOM 365 C CG . PHE A 1 49 ? -27.779 27.499 -32.648 1.00 31.25 ? 104 PHE A CG 1 ATOM 366 C CD1 . PHE A 1 49 ? -27.833 26.379 -33.458 1.00 31.35 ? 104 PHE A CD1 1 ATOM 367 C CD2 . PHE A 1 49 ? -28.373 28.669 -33.089 1.00 31.42 ? 104 PHE A CD2 1 ATOM 368 C CE1 . PHE A 1 49 ? -28.465 26.423 -34.682 1.00 28.86 ? 104 PHE A CE1 1 ATOM 369 C CE2 . PHE A 1 49 ? -29.007 28.720 -34.313 1.00 29.57 ? 104 PHE A CE2 1 ATOM 370 C CZ . PHE A 1 49 ? -29.054 27.596 -35.111 1.00 30.97 ? 104 PHE A CZ 1 ATOM 371 N N . ILE A 1 50 ? -24.709 28.784 -33.372 1.00 37.32 ? 105 ILE A N 1 ATOM 372 C CA . ILE A 1 50 ? -24.421 29.906 -34.256 1.00 38.63 ? 105 ILE A CA 1 ATOM 373 C C . ILE A 1 50 ? -25.348 29.854 -35.465 1.00 35.94 ? 105 ILE A C 1 ATOM 374 O O . ILE A 1 50 ? -25.297 28.913 -36.254 1.00 33.75 ? 105 ILE A O 1 ATOM 375 C CB . ILE A 1 50 ? -22.952 29.904 -34.727 1.00 42.80 ? 105 ILE A CB 1 ATOM 376 C CG1 . ILE A 1 50 ? -22.004 29.811 -33.528 1.00 39.54 ? 105 ILE A CG1 1 ATOM 377 C CG2 . ILE A 1 50 ? -22.648 31.158 -35.537 1.00 42.47 ? 105 ILE A CG2 1 ATOM 378 C CD1 . ILE A 1 50 ? -21.606 28.395 -33.162 1.00 43.42 ? 105 ILE A CD1 1 ATOM 379 N N . ALA A 1 51 ? -26.195 30.868 -35.603 1.00 33.07 ? 106 ALA A N 1 ATOM 380 C CA . ALA A 1 51 ? -27.157 30.918 -36.698 1.00 38.16 ? 106 ALA A CA 1 ATOM 381 C C . ALA A 1 51 ? -26.450 30.970 -38.057 1.00 41.35 ? 106 ALA A C 1 ATOM 382 O O . ALA A 1 51 ? -25.633 31.859 -38.292 1.00 49.26 ? 106 ALA A O 1 ATOM 383 C CB . ALA A 1 51 ? -28.070 32.118 -36.536 1.00 35.25 ? 106 ALA A CB 1 ATOM 384 N N . PRO A 1 52 ? -26.756 30.015 -38.956 1.00 37.43 ? 107 PRO A N 1 ATOM 385 C CA . PRO A 1 52 ? -26.115 30.017 -40.277 1.00 39.08 ? 107 PRO A CA 1 ATOM 386 C C . PRO A 1 52 ? -26.724 31.019 -41.254 1.00 42.02 ? 107 PRO A C 1 ATOM 387 O O . PRO A 1 52 ? -26.128 31.290 -42.297 1.00 48.31 ? 107 PRO A O 1 ATOM 388 C CB . PRO A 1 52 ? -26.343 28.588 -40.771 1.00 34.82 ? 107 PRO A CB 1 ATOM 389 C CG . PRO A 1 52 ? -27.618 28.184 -40.132 1.00 34.48 ? 107 PRO A CG 1 ATOM 390 C CD . PRO A 1 52 ? -27.618 28.832 -38.774 1.00 33.34 ? 107 PRO A CD 1 ATOM 391 N N . ARG A 1 53 ? -27.895 31.556 -40.924 1.00 40.25 ? 108 ARG A N 1 ATOM 392 C CA . ARG A 1 53 ? -28.596 32.463 -41.826 1.00 39.43 ? 108 ARG A CA 1 ATOM 393 C C . ARG A 1 53 ? -29.683 33.250 -41.102 1.00 41.34 ? 108 ARG A C 1 ATOM 394 O O . ARG A 1 53 ? -30.043 32.932 -39.969 1.00 45.65 ? 108 ARG A O 1 ATOM 395 C CB . ARG A 1 53 ? -29.211 31.680 -42.988 1.00 38.66 ? 108 ARG A CB 1 ATOM 396 C CG . ARG A 1 53 ? -30.222 30.629 -42.555 1.00 38.30 ? 108 ARG A CG 1 ATOM 397 C CD . ARG A 1 53 ? -30.745 29.831 -43.738 1.00 39.22 ? 108 ARG A CD 1 ATOM 398 N NE . ARG A 1 53 ? -31.363 30.684 -44.749 1.00 43.55 ? 108 ARG A NE 1 ATOM 399 C CZ . ARG A 1 53 ? -31.969 30.232 -45.843 1.00 43.40 ? 108 ARG A CZ 1 ATOM 400 N NH1 . ARG A 1 53 ? -32.048 28.929 -46.076 1.00 42.26 ? 108 ARG A NH1 1 ATOM 401 N NH2 . ARG A 1 53 ? -32.502 31.087 -46.706 1.00 44.66 ? 108 ARG A NH2 1 ATOM 402 N N . LYS A 1 54 ? -30.204 34.277 -41.766 1.00 43.39 ? 109 LYS A N 1 ATOM 403 C CA . LYS A 1 54 ? -31.269 35.094 -41.197 1.00 40.75 ? 109 LYS A CA 1 ATOM 404 C C . LYS A 1 54 ? -32.581 34.319 -41.171 1.00 38.44 ? 109 LYS A C 1 ATOM 405 O O . LYS A 1 54 ? -32.957 33.683 -42.156 1.00 34.54 ? 109 LYS A O 1 ATOM 406 C CB . LYS A 1 54 ? -31.438 36.391 -41.992 1.00 42.03 ? 109 LYS A CB 1 ATOM 407 C CG . LYS A 1 54 ? -32.402 37.382 -41.359 1.00 42.38 ? 109 LYS A CG 1 ATOM 408 C CD . LYS A 1 54 ? -32.631 38.589 -42.255 1.00 47.61 ? 109 LYS A CD 1 ATOM 409 C CE . LYS A 1 54 ? -33.681 39.523 -41.673 1.00 53.29 ? 109 LYS A CE 1 ATOM 410 N NZ . LYS A 1 54 ? -34.004 40.650 -42.593 1.00 54.46 ? 109 LYS A NZ 1 ATOM 411 N N . GLY A 1 55 ? -33.276 34.375 -40.040 1.00 37.98 ? 110 GLY A N 1 ATOM 412 C CA . GLY A 1 55 ? -34.536 33.673 -39.885 1.00 34.71 ? 110 GLY A CA 1 ATOM 413 C C . GLY A 1 55 ? -35.029 33.687 -38.452 1.00 34.25 ? 110 GLY A C 1 ATOM 414 O O . GLY A 1 55 ? -34.369 34.227 -37.565 1.00 32.85 ? 110 GLY A O 1 ATOM 415 N N . ILE A 1 56 ? -36.198 33.092 -38.230 1.00 35.96 ? 111 ILE A N 1 ATOM 416 C CA . ILE A 1 56 ? -36.767 32.975 -36.892 1.00 32.94 ? 111 ILE A CA 1 ATOM 417 C C . ILE A 1 56 ? -36.404 31.623 -36.293 1.00 31.61 ? 111 ILE A C 1 ATOM 418 O O . ILE A 1 56 ? -36.694 30.578 -36.878 1.00 28.22 ? 111 ILE A O 1 ATOM 419 C CB . ILE A 1 56 ? -38.299 33.137 -36.911 1.00 32.01 ? 111 ILE A CB 1 ATOM 420 C CG1 . ILE A 1 56 ? -38.687 34.486 -37.528 1.00 30.58 ? 111 ILE A CG1 1 ATOM 421 C CG2 . ILE A 1 56 ? -38.878 33.004 -35.504 1.00 28.94 ? 111 ILE A CG2 1 ATOM 422 C CD1 . ILE A 1 56 ? -38.157 35.701 -36.780 1.00 26.80 ? 111 ILE A CD1 1 ATOM 423 N N . TYR A 1 57 ? -35.774 31.655 -35.122 1.00 32.37 ? 112 TYR A N 1 ATOM 424 C CA . TYR A 1 57 ? -35.314 30.445 -34.452 1.00 33.75 ? 112 TYR A CA 1 ATOM 425 C C . TYR A 1 57 ? -36.081 30.206 -33.160 1.00 30.78 ? 112 TYR A C 1 ATOM 426 O O . TYR A 1 57 ? -36.394 31.147 -32.431 1.00 28.32 ? 112 TYR A O 1 ATOM 427 C CB . TYR A 1 57 ? -33.815 30.535 -34.154 1.00 31.15 ? 112 TYR A CB 1 ATOM 428 C CG . TYR A 1 57 ? -32.947 30.537 -35.391 1.00 30.51 ? 112 TYR A CG 1 ATOM 429 C CD1 . TYR A 1 57 ? -32.771 31.694 -36.137 1.00 33.86 ? 112 TYR A CD1 1 ATOM 430 C CD2 . TYR A 1 57 ? -32.301 29.382 -35.810 1.00 33.78 ? 112 TYR A CD2 1 ATOM 431 C CE1 . TYR A 1 57 ? -31.978 31.701 -37.269 1.00 36.29 ? 112 TYR A CE1 1 ATOM 432 C CE2 . TYR A 1 57 ? -31.505 29.380 -36.941 1.00 39.36 ? 112 TYR A CE2 1 ATOM 433 C CZ . TYR A 1 57 ? -31.346 30.542 -37.665 1.00 39.96 ? 112 TYR A CZ 1 ATOM 434 O OH . TYR A 1 57 ? -30.556 30.545 -38.792 1.00 43.71 ? 112 TYR A OH 1 ATOM 435 N N . SER A 1 58 ? -36.380 28.940 -32.888 1.00 30.62 ? 113 SER A N 1 ATOM 436 C CA . SER A 1 58 ? -37.018 28.541 -31.640 1.00 27.22 ? 113 SER A CA 1 ATOM 437 C C . SER A 1 58 ? -35.977 27.967 -30.687 1.00 31.02 ? 113 SER A C 1 ATOM 438 O O . SER A 1 58 ? -35.054 27.273 -31.113 1.00 30.26 ? 113 SER A O 1 ATOM 439 C CB . SER A 1 58 ? -38.120 27.514 -31.901 1.00 35.27 ? 113 SER A CB 1 ATOM 440 O OG . SER A 1 58 ? -38.721 27.096 -30.687 1.00 38.56 ? 113 SER A OG 1 ATOM 441 N N . PHE A 1 59 ? -36.125 28.269 -29.400 1.00 35.93 ? 114 PHE A N 1 ATOM 442 C CA . PHE A 1 59 ? -35.232 27.741 -28.374 1.00 33.22 ? 114 PHE A CA 1 ATOM 443 C C . PHE A 1 59 ? -36.023 27.305 -27.147 1.00 33.74 ? 114 PHE A C 1 ATOM 444 O O . PHE A 1 59 ? -36.968 27.977 -26.735 1.00 33.55 ? 114 PHE A O 1 ATOM 445 C CB . PHE A 1 59 ? -34.183 28.783 -27.975 1.00 35.47 ? 114 PHE A CB 1 ATOM 446 C CG . PHE A 1 59 ? -33.245 29.158 -29.088 1.00 39.80 ? 114 PHE A CG 1 ATOM 447 C CD1 . PHE A 1 59 ? -32.111 28.404 -29.339 1.00 41.04 ? 114 PHE A CD1 1 ATOM 448 C CD2 . PHE A 1 59 ? -33.494 30.267 -29.880 1.00 37.82 ? 114 PHE A CD2 1 ATOM 449 C CE1 . PHE A 1 59 ? -31.245 28.746 -30.361 1.00 35.87 ? 114 PHE A CE1 1 ATOM 450 C CE2 . PHE A 1 59 ? -32.631 30.614 -30.903 1.00 34.62 ? 114 PHE A CE2 1 ATOM 451 C CZ . PHE A 1 59 ? -31.505 29.852 -31.142 1.00 34.24 ? 114 PHE A CZ 1 ATOM 452 N N . ASN A 1 60 ? -35.632 26.169 -26.581 1.00 34.50 ? 115 ASN A N 1 ATOM 453 C CA . ASN A 1 60 ? -36.212 25.677 -25.339 1.00 32.53 ? 115 ASN A CA 1 ATOM 454 C C . ASN A 1 60 ? -35.139 25.035 -24.472 1.00 31.74 ? 115 ASN A C 1 ATOM 455 O O . ASN A 1 60 ? -34.262 24.335 -24.980 1.00 33.28 ? 115 ASN A O 1 ATOM 456 C CB . ASN A 1 60 ? -37.331 24.673 -25.623 1.00 41.86 ? 115 ASN A CB 1 ATOM 457 C CG . ASN A 1 60 ? -38.691 25.333 -25.738 1.00 52.39 ? 115 ASN A CG 1 ATOM 458 O OD1 . ASN A 1 60 ? -39.398 25.495 -24.743 1.00 58.62 ? 115 ASN A OD1 1 ATOM 459 N ND2 . ASN A 1 60 ? -39.065 25.716 -26.953 1.00 55.18 ? 115 ASN A ND2 1 ATOM 460 N N . PHE A 1 61 ? -35.202 25.281 -23.168 1.00 27.48 ? 116 PHE A N 1 ATOM 461 C CA . PHE A 1 61 ? -34.244 24.693 -22.241 1.00 30.68 ? 116 PHE A CA 1 ATOM 462 C C . PHE A 1 61 ? -34.904 24.317 -20.922 1.00 28.63 ? 116 PHE A C 1 ATOM 463 O O . PHE A 1 61 ? -35.858 24.958 -20.482 1.00 27.95 ? 116 PHE A O 1 ATOM 464 C CB . PHE A 1 61 ? -33.077 25.654 -21.988 1.00 29.74 ? 116 PHE A CB 1 ATOM 465 C CG . PHE A 1 61 ? -33.466 26.919 -21.272 1.00 29.11 ? 116 PHE A CG 1 ATOM 466 C CD1 . PHE A 1 61 ? -33.521 26.959 -19.889 1.00 30.25 ? 116 PHE A CD1 1 ATOM 467 C CD2 . PHE A 1 61 ? -33.759 28.072 -21.982 1.00 29.51 ? 116 PHE A CD2 1 ATOM 468 C CE1 . PHE A 1 61 ? -33.873 28.119 -19.227 1.00 28.61 ? 116 PHE A CE1 1 ATOM 469 C CE2 . PHE A 1 61 ? -34.109 29.237 -21.325 1.00 28.19 ? 116 PHE A CE2 1 ATOM 470 C CZ . PHE A 1 61 ? -34.166 29.260 -19.946 1.00 26.12 ? 116 PHE A CZ 1 ATOM 471 N N . HIS A 1 62 ? -34.389 23.257 -20.310 1.00 31.30 ? 117 HIS A N 1 ATOM 472 C CA . HIS A 1 62 ? -34.816 22.834 -18.985 1.00 32.06 ? 117 HIS A CA 1 ATOM 473 C C . HIS A 1 62 ? -33.581 22.425 -18.192 1.00 28.35 ? 117 HIS A C 1 ATOM 474 O O . HIS A 1 62 ? -32.982 21.387 -18.465 1.00 28.47 ? 117 HIS A O 1 ATOM 475 C CB . HIS A 1 62 ? -35.814 21.676 -19.070 1.00 41.97 ? 117 HIS A CB 1 ATOM 476 C CG . HIS A 1 62 ? -37.012 21.968 -19.920 1.00 49.79 ? 117 HIS A CG 1 ATOM 477 N ND1 . HIS A 1 62 ? -36.944 22.072 -21.293 1.00 57.07 ? 117 HIS A ND1 1 ATOM 478 C CD2 . HIS A 1 62 ? -38.310 22.173 -19.592 1.00 49.26 ? 117 HIS A CD2 1 ATOM 479 C CE1 . HIS A 1 62 ? -38.147 22.331 -21.773 1.00 56.99 ? 117 HIS A CE1 1 ATOM 480 N NE2 . HIS A 1 62 ? -38.994 22.397 -20.761 1.00 54.29 ? 117 HIS A NE2 1 ATOM 481 N N . VAL A 1 63 ? -33.196 23.253 -17.226 1.00 30.99 ? 118 VAL A N 1 ATOM 482 C CA . VAL A 1 63 ? -31.996 23.008 -16.430 1.00 29.29 ? 118 VAL A CA 1 ATOM 483 C C . VAL A 1 63 ? -32.357 22.434 -15.064 1.00 26.35 ? 118 VAL A C 1 ATOM 484 O O . VAL A 1 63 ? -32.868 23.142 -14.198 1.00 26.84 ? 118 VAL A O 1 ATOM 485 C CB . VAL A 1 63 ? -31.177 24.300 -16.247 1.00 31.14 ? 118 VAL A CB 1 ATOM 486 C CG1 . VAL A 1 63 ? -29.960 24.057 -15.357 1.00 34.70 ? 118 VAL A CG1 1 ATOM 487 C CG2 . VAL A 1 63 ? -30.741 24.836 -17.602 1.00 25.58 ? 118 VAL A CG2 1 ATOM 488 N N . VAL A 1 64 ? -32.072 21.149 -14.881 1.00 31.23 ? 119 VAL A N 1 ATOM 489 C CA . VAL A 1 64 ? -32.407 20.442 -13.649 1.00 30.50 ? 119 VAL A CA 1 ATOM 490 C C . VAL A 1 64 ? -31.251 20.502 -12.654 1.00 32.01 ? 119 VAL A C 1 ATOM 491 O O . VAL A 1 64 ? -30.086 20.447 -13.047 1.00 34.35 ? 119 VAL A O 1 ATOM 492 C CB . VAL A 1 64 ? -32.752 18.969 -13.934 1.00 29.80 ? 119 VAL A CB 1 ATOM 493 C CG1 . VAL A 1 64 ? -33.232 18.269 -12.670 1.00 36.29 ? 119 VAL A CG1 1 ATOM 494 C CG2 . VAL A 1 64 ? -33.805 18.874 -15.027 1.00 30.35 ? 119 VAL A CG2 1 ATOM 495 N N . LYS A 1 65 ? -31.578 20.612 -11.367 1.00 37.40 ? 120 LYS A N 1 ATOM 496 C CA . LYS A 1 65 ? -30.562 20.642 -10.318 1.00 40.41 ? 120 LYS A CA 1 ATOM 497 C C . LYS A 1 65 ? -30.984 19.816 -9.106 1.00 39.40 ? 120 LYS A C 1 ATOM 498 O O . LYS A 1 65 ? -32.111 19.323 -9.035 1.00 38.17 ? 120 LYS A O 1 ATOM 499 C CB . LYS A 1 65 ? -30.272 22.086 -9.887 1.00 42.88 ? 120 LYS A CB 1 ATOM 500 C CG . LYS A 1 65 ? -31.313 22.702 -8.951 1.00 43.05 ? 120 LYS A CG 1 ATOM 501 C CD . LYS A 1 65 ? -30.886 24.085 -8.476 1.00 47.42 ? 120 LYS A CD 1 ATOM 502 C CE . LYS A 1 65 ? -31.186 24.303 -7.001 1.00 50.83 ? 120 LYS A CE 1 ATOM 503 N NZ . LYS A 1 65 ? -30.035 23.944 -6.125 1.00 56.02 ? 120 LYS A NZ 1 ATOM 504 N N . VAL A 1 66 ? -30.061 19.677 -8.158 1.00 45.81 ? 121 VAL A N 1 ATOM 505 C CA . VAL A 1 66 ? -30.325 18.995 -6.896 1.00 44.66 ? 121 VAL A CA 1 ATOM 506 C C . VAL A 1 66 ? -30.125 19.963 -5.735 1.00 45.48 ? 121 VAL A C 1 ATOM 507 O O . VAL A 1 66 ? -29.808 21.134 -5.941 1.00 43.51 ? 121 VAL A O 1 ATOM 508 C CB . VAL A 1 66 ? -29.406 17.769 -6.711 1.00 42.17 ? 121 VAL A CB 1 ATOM 509 C CG1 . VAL A 1 66 ? -29.654 16.750 -7.813 1.00 36.93 ? 121 VAL A CG1 1 ATOM 510 C CG2 . VAL A 1 66 ? -27.940 18.186 -6.691 1.00 42.13 ? 121 VAL A CG2 1 ATOM 511 N N . TYR A 1 67 ? -30.312 19.472 -4.515 1.00 48.24 ? 122 TYR A N 1 ATOM 512 C CA . TYR A 1 67 ? -30.092 20.287 -3.328 1.00 53.72 ? 122 TYR A CA 1 ATOM 513 C C . TYR A 1 67 ? -28.615 20.650 -3.192 1.00 52.52 ? 122 TYR A C 1 ATOM 514 O O . TYR A 1 67 ? -27.747 19.778 -3.257 1.00 55.41 ? 122 TYR A O 1 ATOM 515 C CB . TYR A 1 67 ? -30.576 19.552 -2.076 1.00 63.53 ? 122 TYR A CB 1 ATOM 516 C CG . TYR A 1 67 ? -30.102 20.174 -0.783 1.00 69.98 ? 122 TYR A CG 1 ATOM 517 C CD1 . TYR A 1 67 ? -30.615 21.387 -0.343 1.00 72.74 ? 122 TYR A CD1 1 ATOM 518 C CD2 . TYR A 1 67 ? -29.144 19.546 0.000 1.00 74.30 ? 122 TYR A CD2 1 ATOM 519 C CE1 . TYR A 1 67 ? -30.183 21.959 0.839 1.00 75.67 ? 122 TYR A CE1 1 ATOM 520 C CE2 . TYR A 1 67 ? -28.706 20.109 1.183 1.00 76.14 ? 122 TYR A CE2 1 ATOM 521 C CZ . TYR A 1 67 ? -29.229 21.314 1.597 1.00 74.59 ? 122 TYR A CZ 1 ATOM 522 O OH . TYR A 1 67 ? -28.794 21.876 2.774 1.00 71.54 ? 122 TYR A OH 1 ATOM 523 N N . ASN A 1 68 ? -28.334 21.938 -3.016 1.00 48.23 ? 123 ASN A N 1 ATOM 524 C CA . ASN A 1 68 ? -26.961 22.406 -2.857 1.00 50.14 ? 123 ASN A CA 1 ATOM 525 C C . ASN A 1 68 ? -26.878 23.773 -2.176 1.00 53.36 ? 123 ASN A C 1 ATOM 526 O O . ASN A 1 68 ? -25.973 24.560 -2.458 1.00 55.52 ? 123 ASN A O 1 ATOM 527 C CB . ASN A 1 68 ? -26.265 22.463 -4.220 1.00 54.50 ? 123 ASN A CB 1 ATOM 528 C CG . ASN A 1 68 ? -26.966 23.387 -5.200 1.00 54.61 ? 123 ASN A CG 1 ATOM 529 O OD1 . ASN A 1 68 ? -27.981 24.004 -4.877 1.00 55.48 ? 123 ASN A OD1 1 ATOM 530 N ND2 . ASN A 1 68 ? -26.419 23.491 -6.405 1.00 51.83 ? 123 ASN A ND2 1 ATOM 531 N N . ARG A 1 69 ? -27.826 24.046 -1.283 1.00 58.37 ? 124 ARG A N 1 ATOM 532 C CA . ARG A 1 69 ? -27.839 25.286 -0.508 1.00 64.72 ? 124 ARG A CA 1 ATOM 533 C C . ARG A 1 69 ? -27.842 26.531 -1.396 1.00 65.50 ? 124 ARG A C 1 ATOM 534 O O . ARG A 1 69 ? -27.405 27.601 -0.969 1.00 67.81 ? 124 ARG A O 1 ATOM 535 C CB . ARG A 1 69 ? -26.630 25.336 0.435 1.00 68.65 ? 124 ARG A CB 1 ATOM 536 C CG . ARG A 1 69 ? -26.549 24.185 1.426 1.00 72.33 ? 124 ARG A CG 1 ATOM 537 C CD . ARG A 1 69 ? -25.283 24.279 2.269 1.00 76.76 ? 124 ARG A CD 1 ATOM 538 N NE . ARG A 1 69 ? -25.229 25.516 3.046 1.00 80.32 ? 124 ARG A NE 1 ATOM 539 C CZ . ARG A 1 69 ? -25.710 25.660 4.279 1.00 84.04 ? 124 ARG A CZ 1 ATOM 540 N NH1 . ARG A 1 69 ? -26.289 24.641 4.903 1.00 85.26 ? 124 ARG A NH1 1 ATOM 541 N NH2 . ARG A 1 69 ? -25.610 26.830 4.894 1.00 84.87 ? 124 ARG A NH2 1 ATOM 542 N N . GLN A 1 70 ? -28.342 26.392 -2.622 1.00 60.60 ? 125 GLN A N 1 ATOM 543 C CA . GLN A 1 70 ? -28.272 27.472 -3.603 1.00 54.28 ? 125 GLN A CA 1 ATOM 544 C C . GLN A 1 70 ? -29.481 27.530 -4.531 1.00 51.66 ? 125 GLN A C 1 ATOM 545 O O . GLN A 1 70 ? -29.910 26.514 -5.078 1.00 53.84 ? 125 GLN A O 1 ATOM 546 C CB . GLN A 1 70 ? -27.003 27.327 -4.445 1.00 53.73 ? 125 GLN A CB 1 ATOM 547 C CG . GLN A 1 70 ? -25.780 27.998 -3.855 1.00 58.09 ? 125 GLN A CG 1 ATOM 548 C CD . GLN A 1 70 ? -25.750 29.490 -4.122 1.00 64.02 ? 125 GLN A CD 1 ATOM 549 O OE1 . GLN A 1 70 ? -26.792 30.142 -4.188 1.00 65.59 ? 125 GLN A OE1 1 ATOM 550 N NE2 . GLN A 1 70 ? -24.552 30.036 -4.290 1.00 64.62 ? 125 GLN A NE2 1 ATOM 551 N N . THR A 1 71 ? -30.019 28.735 -4.699 1.00 47.08 ? 126 THR A N 1 ATOM 552 C CA . THR A 1 71 ? -31.025 29.006 -5.719 1.00 48.22 ? 126 THR A CA 1 ATOM 553 C C . THR A 1 71 ? -30.316 29.539 -6.959 1.00 42.46 ? 126 THR A C 1 ATOM 554 O O . THR A 1 71 ? -29.276 30.190 -6.844 1.00 42.71 ? 126 THR A O 1 ATOM 555 C CB . THR A 1 71 ? -32.074 30.024 -5.238 1.00 53.24 ? 126 THR A CB 1 ATOM 556 O OG1 . THR A 1 71 ? -31.436 31.274 -4.947 1.00 56.06 ? 126 THR A OG1 1 ATOM 557 C CG2 . THR A 1 71 ? -32.785 29.517 -3.991 1.00 56.36 ? 126 THR A CG2 1 ATOM 558 N N . ILE A 1 72 ? -30.875 29.269 -8.136 1.00 36.20 ? 127 ILE A N 1 ATOM 559 C CA . ILE A 1 72 ? -30.217 29.621 -9.392 1.00 43.21 ? 127 ILE A CA 1 ATOM 560 C C . ILE A 1 72 ? -31.092 30.454 -10.323 1.00 37.98 ? 127 ILE A C 1 ATOM 561 O O . ILE A 1 72 ? -32.319 30.457 -10.214 1.00 40.85 ? 127 ILE A O 1 ATOM 562 C CB . ILE A 1 72 ? -29.770 28.359 -10.161 1.00 42.11 ? 127 ILE A CB 1 ATOM 563 C CG1 . ILE A 1 72 ? -30.974 27.466 -10.485 1.00 41.83 ? 127 ILE A CG1 1 ATOM 564 C CG2 . ILE A 1 72 ? -28.737 27.588 -9.351 1.00 41.88 ? 127 ILE A CG2 1 ATOM 565 C CD1 . ILE A 1 72 ? -30.670 26.367 -11.482 1.00 41.54 ? 127 ILE A CD1 1 ATOM 566 N N . GLN A 1 73 ? -30.434 31.159 -11.239 1.00 30.73 ? 128 GLN A N 1 ATOM 567 C CA . GLN A 1 73 ? -31.103 31.858 -12.327 1.00 31.43 ? 128 GLN A CA 1 ATOM 568 C C . GLN A 1 73 ? -30.370 31.571 -13.632 1.00 32.97 ? 128 GLN A C 1 ATOM 569 O O . GLN A 1 73 ? -29.188 31.887 -13.772 1.00 34.87 ? 128 GLN A O 1 ATOM 570 C CB . GLN A 1 73 ? -31.158 33.365 -12.067 1.00 30.89 ? 128 GLN A CB 1 ATOM 571 C CG . GLN A 1 73 ? -31.696 34.174 -13.242 1.00 29.09 ? 128 GLN A CG 1 ATOM 572 C CD . GLN A 1 73 ? -31.809 35.655 -12.937 1.00 34.28 ? 128 GLN A CD 1 ATOM 573 O OE1 . GLN A 1 73 ? -31.626 36.084 -11.797 1.00 39.55 ? 128 GLN A OE1 1 ATOM 574 N NE2 . GLN A 1 73 ? -32.111 36.446 -13.960 1.00 34.57 ? 128 GLN A NE2 1 ATOM 575 N N . VAL A 1 74 ? -31.080 30.965 -14.579 1.00 28.21 ? 129 VAL A N 1 ATOM 576 C CA . VAL A 1 74 ? -30.522 30.632 -15.885 1.00 24.65 ? 129 VAL A CA 1 ATOM 577 C C . VAL A 1 74 ? -31.075 31.586 -16.934 1.00 26.74 ? 129 VAL A C 1 ATOM 578 O O . VAL A 1 74 ? -32.234 31.985 -16.858 1.00 28.77 ? 129 VAL A O 1 ATOM 579 C CB . VAL A 1 74 ? -30.847 29.179 -16.279 1.00 23.63 ? 129 VAL A CB 1 ATOM 580 C CG1 . VAL A 1 74 ? -30.296 28.851 -17.663 1.00 27.30 ? 129 VAL A CG1 1 ATOM 581 C CG2 . VAL A 1 74 ? -30.290 28.215 -15.238 1.00 26.52 ? 129 VAL A CG2 1 ATOM 582 N N . SER A 1 75 ? -30.247 31.945 -17.910 1.00 29.10 ? 130 SER A N 1 ATOM 583 C CA . SER A 1 75 ? -30.660 32.871 -18.959 1.00 32.36 ? 130 SER A CA 1 ATOM 584 C C . SER A 1 75 ? -30.133 32.450 -20.326 1.00 29.43 ? 130 SER A C 1 ATOM 585 O O . SER A 1 75 ? -28.991 32.007 -20.456 1.00 28.69 ? 130 SER A O 1 ATOM 586 C CB . SER A 1 75 ? -30.183 34.289 -18.635 1.00 33.51 ? 130 SER A CB 1 ATOM 587 O OG . SER A 1 75 ? -30.758 34.762 -17.430 1.00 35.53 ? 130 SER A OG 1 ATOM 588 N N . LEU A 1 76 ? -30.984 32.585 -21.339 1.00 33.00 ? 131 LEU A N 1 ATOM 589 C CA . LEU A 1 76 ? -30.577 32.371 -22.722 1.00 35.31 ? 131 LEU A CA 1 ATOM 590 C C . LEU A 1 76 ? -29.875 33.619 -23.241 1.00 36.08 ? 131 LEU A C 1 ATOM 591 O O . LEU A 1 76 ? -30.499 34.668 -23.403 1.00 36.87 ? 131 LEU A O 1 ATOM 592 C CB . LEU A 1 76 ? -31.787 32.036 -23.600 1.00 34.76 ? 131 LEU A CB 1 ATOM 593 C CG . LEU A 1 76 ? -31.529 31.916 -25.106 1.00 36.85 ? 131 LEU A CG 1 ATOM 594 C CD1 . LEU A 1 76 ? -30.619 30.736 -25.414 1.00 39.85 ? 131 LEU A CD1 1 ATOM 595 C CD2 . LEU A 1 76 ? -32.842 31.798 -25.867 1.00 41.97 ? 131 LEU A CD2 1 ATOM 596 N N . MET A 1 77 ? -28.577 33.501 -23.496 1.00 37.05 ? 132 MET A N 1 ATOM 597 C CA . MET A 1 77 ? -27.780 34.631 -23.958 1.00 35.22 ? 132 MET A CA 1 ATOM 598 C C . MET A 1 77 ? -27.771 34.728 -25.477 1.00 35.26 ? 132 MET A C 1 ATOM 599 O O . MET A 1 77 ? -27.590 33.729 -26.169 1.00 34.97 ? 132 MET A O 1 ATOM 600 C CB . MET A 1 77 ? -26.346 34.516 -23.440 1.00 36.86 ? 132 MET A CB 1 ATOM 601 C CG . MET A 1 77 ? -26.237 34.487 -21.926 1.00 36.08 ? 132 MET A CG 1 ATOM 602 S SD . MET A 1 77 ? -26.993 35.931 -21.159 1.00 42.72 ? 132 MET A SD 1 ATOM 603 C CE . MET A 1 77 ? -26.718 35.578 -19.429 1.00 108.58 ? 132 MET A CE 1 ATOM 604 N N . LEU A 1 78 ? -27.978 35.941 -25.983 1.00 38.17 ? 133 LEU A N 1 ATOM 605 C CA . LEU A 1 78 ? -27.850 36.228 -27.407 1.00 37.82 ? 133 LEU A CA 1 ATOM 606 C C . LEU A 1 78 ? -26.742 37.252 -27.608 1.00 43.04 ? 133 LEU A C 1 ATOM 607 O O . LEU A 1 78 ? -26.944 38.447 -27.391 1.00 42.85 ? 133 LEU A O 1 ATOM 608 C CB . LEU A 1 78 ? -29.169 36.744 -27.985 1.00 36.50 ? 133 LEU A CB 1 ATOM 609 C CG . LEU A 1 78 ? -29.143 37.141 -29.465 1.00 44.52 ? 133 LEU A CG 1 ATOM 610 C CD1 . LEU A 1 78 ? -28.834 35.942 -30.353 1.00 44.75 ? 133 LEU A CD1 1 ATOM 611 C CD2 . LEU A 1 78 ? -30.460 37.784 -29.872 1.00 49.71 ? 133 LEU A CD2 1 ATOM 612 N N . ASN A 1 79 ? -25.573 36.769 -28.015 1.00 42.68 ? 134 ASN A N 1 ATOM 613 C CA . ASN A 1 79 ? -24.400 37.616 -28.196 1.00 38.72 ? 134 ASN A CA 1 ATOM 614 C C . ASN A 1 79 ? -24.048 38.369 -26.914 1.00 37.91 ? 134 ASN A C 1 ATOM 615 O O . ASN A 1 79 ? -23.714 39.553 -26.950 1.00 42.70 ? 134 ASN A O 1 ATOM 616 C CB . ASN A 1 79 ? -24.620 38.605 -29.346 1.00 36.19 ? 134 ASN A CB 1 ATOM 617 C CG . ASN A 1 79 ? -24.869 37.913 -30.674 1.00 32.73 ? 134 ASN A CG 1 ATOM 618 O OD1 . ASN A 1 79 ? -24.475 36.764 -30.873 1.00 35.21 ? 134 ASN A OD1 1 ATOM 619 N ND2 . ASN A 1 79 ? -25.519 38.616 -31.595 1.00 35.60 ? 134 ASN A ND2 1 ATOM 620 N N . GLY A 1 80 ? -24.136 37.674 -25.782 1.00 37.61 ? 135 GLY A N 1 ATOM 621 C CA . GLY A 1 80 ? -23.704 38.219 -24.506 1.00 29.58 ? 135 GLY A CA 1 ATOM 622 C C . GLY A 1 80 ? -24.795 38.913 -23.711 1.00 32.29 ? 135 GLY A C 1 ATOM 623 O O . GLY A 1 80 ? -24.563 39.329 -22.576 1.00 36.14 ? 135 GLY A O 1 ATOM 624 N N . TRP A 1 81 ? -25.982 39.036 -24.301 1.00 36.56 ? 136 TRP A N 1 ATOM 625 C CA . TRP A 1 81 ? -27.109 39.704 -23.650 1.00 39.94 ? 136 TRP A CA 1 ATOM 626 C C . TRP A 1 81 ? -28.239 38.719 -23.350 1.00 36.78 ? 136 TRP A C 1 ATOM 627 O O . TRP A 1 81 ? -28.577 37.891 -24.195 1.00 38.49 ? 136 TRP A O 1 ATOM 628 C CB . TRP A 1 81 ? -27.631 40.839 -24.530 1.00 45.57 ? 136 TRP A CB 1 ATOM 629 C CG . TRP A 1 81 ? -27.304 42.208 -24.011 1.00 57.18 ? 136 TRP A CG 1 ATOM 630 C CD1 . TRP A 1 81 ? -28.175 43.108 -23.468 1.00 66.58 ? 136 TRP A CD1 1 ATOM 631 C CD2 . TRP A 1 81 ? -26.015 42.832 -23.983 1.00 60.97 ? 136 TRP A CD2 1 ATOM 632 N NE1 . TRP A 1 81 ? -27.509 44.254 -23.107 1.00 67.76 ? 136 TRP A NE1 1 ATOM 633 C CE2 . TRP A 1 81 ? -26.181 44.109 -23.412 1.00 65.08 ? 136 TRP A CE2 1 ATOM 634 C CE3 . TRP A 1 81 ? -24.737 42.435 -24.387 1.00 66.79 ? 136 TRP A CE3 1 ATOM 635 C CZ2 . TRP A 1 81 ? -25.118 44.992 -23.234 1.00 67.28 ? 136 TRP A CZ2 1 ATOM 636 C CZ3 . TRP A 1 81 ? -23.682 43.313 -24.210 1.00 70.22 ? 136 TRP A CZ3 1 ATOM 637 C CH2 . TRP A 1 81 ? -23.879 44.576 -23.638 1.00 69.14 ? 136 TRP A CH2 1 ATOM 638 N N . PRO A 1 82 ? -28.837 38.808 -22.148 1.00 34.07 ? 137 PRO A N 1 ATOM 639 C CA . PRO A 1 82 ? -29.925 37.890 -21.795 1.00 37.19 ? 137 PRO A CA 1 ATOM 640 C C . PRO A 1 82 ? -31.248 38.245 -22.469 1.00 38.74 ? 137 PRO A C 1 ATOM 641 O O . PRO A 1 82 ? -31.665 39.404 -22.433 1.00 40.44 ? 137 PRO A O 1 ATOM 642 C CB . PRO A 1 82 ? -30.031 38.048 -20.279 1.00 31.95 ? 137 PRO A CB 1 ATOM 643 C CG . PRO A 1 82 ? -29.602 39.448 -20.031 1.00 33.19 ? 137 PRO A CG 1 ATOM 644 C CD . PRO A 1 82 ? -28.527 39.734 -21.044 1.00 33.43 ? 137 PRO A CD 1 ATOM 645 N N . VAL A 1 83 ? -31.895 37.250 -23.068 1.00 36.40 ? 138 VAL A N 1 ATOM 646 C CA . VAL A 1 83 ? -33.184 37.443 -23.726 1.00 41.40 ? 138 VAL A CA 1 ATOM 647 C C . VAL A 1 83 ? -34.313 36.989 -22.804 1.00 36.27 ? 138 VAL A C 1 ATOM 648 O O . VAL A 1 83 ? -35.260 37.734 -22.553 1.00 35.83 ? 138 VAL A O 1 ATOM 649 C CB . VAL A 1 83 ? -33.262 36.669 -25.059 1.00 45.62 ? 138 VAL A CB 1 ATOM 650 C CG1 . VAL A 1 83 ? -34.579 36.953 -25.773 1.00 51.18 ? 138 VAL A CG1 1 ATOM 651 C CG2 . VAL A 1 83 ? -32.086 37.033 -25.956 1.00 41.16 ? 138 VAL A CG2 1 ATOM 652 N N . ILE A 1 84 ? -34.198 35.761 -22.307 1.00 34.73 ? 139 ILE A N 1 ATOM 653 C CA . ILE A 1 84 ? -35.167 35.200 -21.371 1.00 34.28 ? 139 ILE A CA 1 ATOM 654 C C . ILE A 1 84 ? -34.441 34.586 -20.182 1.00 33.10 ? 139 ILE A C 1 ATOM 655 O O . ILE A 1 84 ? -33.243 34.314 -20.254 1.00 31.74 ? 139 ILE A O 1 ATOM 656 C CB . ILE A 1 84 ? -36.053 34.130 -22.037 1.00 29.42 ? 139 ILE A CB 1 ATOM 657 C CG1 . ILE A 1 84 ? -35.185 33.084 -22.744 1.00 24.83 ? 139 ILE A CG1 1 ATOM 658 C CG2 . ILE A 1 84 ? -37.004 34.780 -23.027 1.00 31.75 ? 139 ILE A CG2 1 ATOM 659 C CD1 . ILE A 1 84 ? -35.937 31.843 -23.158 1.00 23.71 ? 139 ILE A CD1 1 ATOM 660 N N . SER A 1 85 ? -35.172 34.370 -19.092 1.00 33.25 ? 140 SER A N 1 ATOM 661 C CA . SER A 1 85 ? -34.594 33.792 -17.884 1.00 35.83 ? 140 SER A CA 1 ATOM 662 C C . SER A 1 85 ? -35.530 32.772 -17.243 1.00 32.58 ? 140 SER A C 1 ATOM 663 O O . SER A 1 85 ? -36.723 32.731 -17.545 1.00 35.32 ? 140 SER A O 1 ATOM 664 C CB . SER A 1 85 ? -34.254 34.891 -16.875 1.00 38.63 ? 140 SER A CB 1 ATOM 665 O OG . SER A 1 85 ? -33.358 35.838 -17.430 1.00 43.53 ? 140 SER A OG 1 ATOM 666 N N . ALA A 1 86 ? -34.972 31.953 -16.356 1.00 31.08 ? 141 ALA A N 1 ATOM 667 C CA . ALA A 1 86 ? -35.734 30.942 -15.630 1.00 30.89 ? 141 ALA A CA 1 ATOM 668 C C . ALA A 1 86 ? -35.147 30.762 -14.232 1.00 32.14 ? 141 ALA A C 1 ATOM 669 O O . ALA A 1 86 ? -33.980 31.079 -14.002 1.00 30.48 ? 141 ALA A O 1 ATOM 670 C CB . ALA A 1 86 ? -35.731 29.626 -16.388 1.00 33.30 ? 141 ALA A CB 1 ATOM 671 N N . PHE A 1 87 ? -35.956 30.250 -13.307 1.00 34.61 ? 142 PHE A N 1 ATOM 672 C CA . PHE A 1 87 ? -35.561 30.157 -11.902 1.00 37.08 ? 142 PHE A CA 1 ATOM 673 C C . PHE A 1 87 ? -35.900 28.805 -11.280 1.00 32.45 ? 142 PHE A C 1 ATOM 674 O O . PHE A 1 87 ? -36.820 28.114 -11.720 1.00 30.31 ? 142 PHE A O 1 ATOM 675 C CB . PHE A 1 87 ? -36.234 31.270 -11.097 1.00 37.27 ? 142 PHE A CB 1 ATOM 676 C CG . PHE A 1 87 ? -35.979 32.646 -11.638 1.00 37.95 ? 142 PHE A CG 1 ATOM 677 C CD1 . PHE A 1 87 ? -36.792 33.178 -12.625 1.00 32.03 ? 142 PHE A CD1 1 ATOM 678 C CD2 . PHE A 1 87 ? -34.926 33.408 -11.162 1.00 41.76 ? 142 PHE A CD2 1 ATOM 679 C CE1 . PHE A 1 87 ? -36.560 34.444 -13.127 1.00 32.46 ? 142 PHE A CE1 1 ATOM 680 C CE2 . PHE A 1 87 ? -34.689 34.675 -11.660 1.00 42.30 ? 142 PHE A CE2 1 ATOM 681 C CZ . PHE A 1 87 ? -35.507 35.193 -12.643 1.00 39.91 ? 142 PHE A CZ 1 ATOM 682 N N . ALA A 1 88 ? -35.143 28.445 -10.248 1.00 36.30 ? 143 ALA A N 1 ATOM 683 C CA . ALA A 1 88 ? -35.376 27.219 -9.494 1.00 39.25 ? 143 ALA A CA 1 ATOM 684 C C . ALA A 1 88 ? -34.989 27.430 -8.035 1.00 40.11 ? 143 ALA A C 1 ATOM 685 O O . ALA A 1 88 ? -33.964 28.044 -7.741 1.00 34.32 ? 143 ALA A O 1 ATOM 686 C CB . ALA A 1 88 ? -34.592 26.065 -10.092 1.00 35.13 ? 143 ALA A CB 1 ATOM 687 N N . GLY A 1 89 ? -35.816 26.924 -7.125 1.00 49.44 ? 144 GLY A N 1 ATOM 688 C CA . GLY A 1 89 ? -35.567 27.069 -5.701 1.00 54.12 ? 144 GLY A CA 1 ATOM 689 C C . GLY A 1 89 ? -34.481 26.136 -5.209 1.00 55.64 ? 144 GLY A C 1 ATOM 690 O O . GLY A 1 89 ? -33.511 25.876 -5.917 1.00 55.68 ? 144 GLY A O 1 ATOM 691 N N . ASP A 1 90 ? -34.645 25.629 -3.992 1.00 59.69 ? 145 ASP A N 1 ATOM 692 C CA . ASP A 1 90 ? -33.687 24.685 -3.428 1.00 64.88 ? 145 ASP A CA 1 ATOM 693 C C . ASP A 1 90 ? -34.262 23.935 -2.230 1.00 67.16 ? 145 ASP A C 1 ATOM 694 O O . ASP A 1 90 ? -34.634 24.541 -1.225 1.00 66.53 ? 145 ASP A O 1 ATOM 695 C CB . ASP A 1 90 ? -32.408 25.410 -3.016 1.00 66.96 ? 145 ASP A CB 1 ATOM 696 C CG . ASP A 1 90 ? -31.354 24.464 -2.478 1.00 71.21 ? 145 ASP A CG 1 ATOM 697 O OD1 . ASP A 1 90 ? -30.656 23.827 -3.295 1.00 70.40 ? 145 ASP A OD1 1 ATOM 698 O OD2 . ASP A 1 90 ? -31.226 24.354 -1.240 1.00 74.17 ? 145 ASP A OD2 1 ATOM 699 N N . GLN A 1 91 ? -34.331 22.612 -2.350 1.00 71.15 ? 146 GLN A N 1 ATOM 700 C CA . GLN A 1 91 ? -34.795 21.760 -1.261 1.00 75.32 ? 146 GLN A CA 1 ATOM 701 C C . GLN A 1 91 ? -34.385 20.311 -1.514 1.00 75.86 ? 146 GLN A C 1 ATOM 702 O O . GLN A 1 91 ? -34.131 19.921 -2.653 1.00 74.17 ? 146 GLN A O 1 ATOM 703 C CB . GLN A 1 91 ? -36.314 21.873 -1.097 1.00 76.11 ? 146 GLN A CB 1 ATOM 704 C CG . GLN A 1 91 ? -37.141 21.046 -2.083 1.00 75.03 ? 146 GLN A CG 1 ATOM 705 C CD . GLN A 1 91 ? -36.731 21.248 -3.528 1.00 69.48 ? 146 GLN A CD 1 ATOM 706 O OE1 . GLN A 1 91 ? -36.901 22.331 -4.086 1.00 66.80 ? 146 GLN A OE1 1 ATOM 707 N NE2 . GLN A 1 91 ? -36.189 20.201 -4.144 1.00 68.95 ? 146 GLN A NE2 1 ATOM 708 N N . ASP A 1 92 ? -34.331 19.518 -0.447 1.00 80.93 ? 147 ASP A N 1 ATOM 709 C CA . ASP A 1 92 ? -33.824 18.149 -0.528 1.00 87.02 ? 147 ASP A CA 1 ATOM 710 C C . ASP A 1 92 ? -34.944 17.131 -0.750 1.00 83.92 ? 147 ASP A C 1 ATOM 711 O O . ASP A 1 92 ? -34.772 15.937 -0.502 1.00 81.45 ? 147 ASP A O 1 ATOM 712 C CB . ASP A 1 92 ? -33.038 17.803 0.743 1.00 93.68 ? 147 ASP A CB 1 ATOM 713 C CG . ASP A 1 92 ? -33.772 18.194 2.013 1.00 98.40 ? 147 ASP A CG 1 ATOM 714 O OD1 . ASP A 1 92 ? -35.018 18.279 1.985 1.00 98.67 ? 147 ASP A OD1 1 ATOM 715 O OD2 . ASP A 1 92 ? -33.100 18.422 3.041 1.00 99.35 ? 147 ASP A OD2 1 ATOM 716 N N . VAL A 1 93 ? -36.086 17.610 -1.229 1.00 85.19 ? 148 VAL A N 1 ATOM 717 C CA . VAL A 1 93 ? -37.234 16.751 -1.502 1.00 84.98 ? 148 VAL A CA 1 ATOM 718 C C . VAL A 1 93 ? -37.106 16.094 -2.871 1.00 81.82 ? 148 VAL A C 1 ATOM 719 O O . VAL A 1 93 ? -37.220 14.876 -2.998 1.00 81.99 ? 148 VAL A O 1 ATOM 720 C CB . VAL A 1 93 ? -38.559 17.544 -1.445 1.00 87.29 ? 148 VAL A CB 1 ATOM 721 C CG1 . VAL A 1 93 ? -39.758 16.631 -1.716 1.00 88.65 ? 148 VAL A CG1 1 ATOM 722 C CG2 . VAL A 1 93 ? -38.707 18.234 -0.095 1.00 87.16 ? 148 VAL A CG2 1 ATOM 723 N N . THR A 1 94 ? -36.867 16.909 -3.892 1.00 76.92 ? 149 THR A N 1 ATOM 724 C CA . THR A 1 94 ? -36.829 16.424 -5.264 1.00 72.44 ? 149 THR A CA 1 ATOM 725 C C . THR A 1 94 ? -35.938 17.291 -6.139 1.00 67.44 ? 149 THR A C 1 ATOM 726 O O . THR A 1 94 ? -35.492 18.361 -5.724 1.00 69.02 ? 149 THR A O 1 ATOM 727 C CB . THR A 1 94 ? -38.238 16.397 -5.881 1.00 69.23 ? 149 THR A CB 1 ATOM 728 O OG1 . THR A 1 94 ? -38.169 15.901 -7.224 1.00 69.07 ? 149 THR A OG1 1 ATOM 729 C CG2 . THR A 1 94 ? -38.842 17.796 -5.892 1.00 65.65 ? 149 THR A CG2 1 ATOM 730 N N . ARG A 1 95 ? -35.684 16.820 -7.354 1.00 57.41 ? 150 ARG A N 1 ATOM 731 C CA . ARG A 1 95 ? -35.043 17.647 -8.364 1.00 50.31 ? 150 ARG A CA 1 ATOM 732 C C . ARG A 1 95 ? -36.050 18.663 -8.894 1.00 49.86 ? 150 ARG A C 1 ATOM 733 O O . ARG A 1 95 ? -37.246 18.378 -8.972 1.00 46.59 ? 150 ARG A O 1 ATOM 734 C CB . ARG A 1 95 ? -34.501 16.795 -9.514 1.00 47.87 ? 150 ARG A CB 1 ATOM 735 C CG . ARG A 1 95 ? -33.325 15.897 -9.157 1.00 46.88 ? 150 ARG A CG 1 ATOM 736 C CD . ARG A 1 95 ? -32.951 15.009 -10.337 1.00 48.23 ? 150 ARG A CD 1 ATOM 737 N NE . ARG A 1 95 ? -31.822 14.127 -10.047 1.00 53.52 ? 150 ARG A NE 1 ATOM 738 C CZ . ARG A 1 95 ? -30.549 14.401 -10.323 1.00 58.62 ? 150 ARG A CZ 1 ATOM 739 N NH1 . ARG A 1 95 ? -30.208 15.547 -10.903 1.00 58.97 ? 150 ARG A NH1 1 ATOM 740 N NH2 . ARG A 1 95 ? -29.606 13.521 -10.016 1.00 58.36 ? 150 ARG A NH2 1 ATOM 741 N N . GLU A 1 96 ? -35.558 19.846 -9.248 1.00 52.33 ? 151 GLU A N 1 ATOM 742 C CA . GLU A 1 96 ? -36.395 20.896 -9.821 1.00 57.25 ? 151 GLU A CA 1 ATOM 743 C C . GLU A 1 96 ? -35.688 21.531 -11.011 1.00 48.01 ? 151 GLU A C 1 ATOM 744 O O . GLU A 1 96 ? -34.463 21.462 -11.119 1.00 39.59 ? 151 GLU A O 1 ATOM 745 C CB . GLU A 1 96 ? -36.730 21.953 -8.769 1.00 65.61 ? 151 GLU A CB 1 ATOM 746 C CG . GLU A 1 96 ? -35.512 22.585 -8.119 1.00 74.36 ? 151 GLU A CG 1 ATOM 747 C CD . GLU A 1 96 ? -35.866 23.419 -6.907 1.00 83.26 ? 151 GLU A CD 1 ATOM 748 O OE1 . GLU A 1 96 ? -36.923 24.085 -6.925 1.00 85.28 ? 151 GLU A OE1 1 ATOM 749 O OE2 . GLU A 1 96 ? -35.088 23.398 -5.932 1.00 86.18 ? 151 GLU A OE2 1 ATOM 750 N N . ALA A 1 97 ? -36.464 22.154 -11.895 1.00 45.50 ? 152 ALA A N 1 ATOM 751 C CA . ALA A 1 97 ? -35.939 22.643 -13.165 1.00 41.44 ? 152 ALA A CA 1 ATOM 752 C C . ALA A 1 97 ? -36.278 24.105 -13.432 1.00 37.15 ? 152 ALA A C 1 ATOM 753 O O . ALA A 1 97 ? -37.399 24.554 -13.190 1.00 40.06 ? 152 ALA A O 1 ATOM 754 C CB . ALA A 1 97 ? -36.461 21.780 -14.302 1.00 44.18 ? 152 ALA A CB 1 ATOM 755 N N . ALA A 1 98 ? -35.289 24.836 -13.937 1.00 32.33 ? 153 ALA A N 1 ATOM 756 C CA . ALA A 1 98 ? -35.497 26.182 -14.454 1.00 31.62 ? 153 ALA A CA 1 ATOM 757 C C . ALA A 1 98 ? -35.754 26.092 -15.954 1.00 31.88 ? 153 ALA A C 1 ATOM 758 O O . ALA A 1 98 ? -34.843 25.793 -16.726 1.00 36.15 ? 153 ALA A O 1 ATOM 759 C CB . ALA A 1 98 ? -34.295 27.062 -14.163 1.00 31.97 ? 153 ALA A CB 1 ATOM 760 N N . SER A 1 99 ? -36.995 26.350 -16.359 1.00 34.63 ? 154 SER A N 1 ATOM 761 C CA . SER A 1 99 ? -37.420 26.120 -17.737 1.00 34.30 ? 154 SER A CA 1 ATOM 762 C C . SER A 1 99 ? -38.004 27.364 -18.395 1.00 35.15 ? 154 SER A C 1 ATOM 763 O O . SER A 1 99 ? -38.685 28.162 -17.752 1.00 29.97 ? 154 SER A O 1 ATOM 764 C CB . SER A 1 99 ? -38.451 24.993 -17.779 1.00 38.59 ? 154 SER A CB 1 ATOM 765 O OG . SER A 1 99 ? -37.968 23.845 -17.106 1.00 49.70 ? 154 SER A OG 1 ATOM 766 N N . ASN A 1 100 ? -37.731 27.513 -19.688 1.00 35.69 ? 155 ASN A N 1 ATOM 767 C CA . ASN A 1 100 ? -38.301 28.592 -20.484 1.00 30.44 ? 155 ASN A CA 1 ATOM 768 C C . ASN A 1 100 ? -38.036 28.357 -21.967 1.00 31.52 ? 155 ASN A C 1 ATOM 769 O O . ASN A 1 100 ? -37.230 27.501 -22.333 1.00 35.53 ? 155 ASN A O 1 ATOM 770 C CB . ASN A 1 100 ? -37.731 29.946 -20.055 1.00 27.90 ? 155 ASN A CB 1 ATOM 771 C CG . ASN A 1 100 ? -38.709 31.085 -20.271 1.00 28.89 ? 155 ASN A CG 1 ATOM 772 O OD1 . ASN A 1 100 ? -39.592 31.009 -21.126 1.00 28.97 ? 155 ASN A OD1 1 ATOM 773 N ND2 . ASN A 1 100 ? -38.557 32.150 -19.492 1.00 28.85 ? 155 ASN A ND2 1 ATOM 774 N N . GLY A 1 101 ? -38.721 29.115 -22.816 1.00 32.90 ? 156 GLY A N 1 ATOM 775 C CA . GLY A 1 101 ? -38.553 29.002 -24.254 1.00 30.53 ? 156 GLY A CA 1 ATOM 776 C C . GLY A 1 101 ? -38.927 30.298 -24.946 1.00 30.16 ? 156 GLY A C 1 ATOM 777 O O . GLY A 1 101 ? -39.610 31.140 -24.363 1.00 28.44 ? 156 GLY A O 1 ATOM 778 N N . VAL A 1 102 ? -38.483 30.464 -26.189 1.00 30.13 ? 157 VAL A N 1 ATOM 779 C CA . VAL A 1 102 ? -38.727 31.705 -26.913 1.00 34.34 ? 157 VAL A CA 1 ATOM 780 C C . VAL A 1 102 ? -38.420 31.580 -28.403 1.00 34.13 ? 157 VAL A C 1 ATOM 781 O O . VAL A 1 102 ? -37.586 30.769 -28.810 1.00 36.07 ? 157 VAL A O 1 ATOM 782 C CB . VAL A 1 102 ? -37.881 32.862 -26.320 1.00 36.60 ? 157 VAL A CB 1 ATOM 783 C CG1 . VAL A 1 102 ? -36.397 32.683 -26.649 1.00 32.72 ? 157 VAL A CG1 1 ATOM 784 C CG2 . VAL A 1 102 ? -38.383 34.209 -26.809 1.00 38.40 ? 157 VAL A CG2 1 ATOM 785 N N . LEU A 1 103 ? -39.110 32.385 -29.207 1.00 32.71 ? 158 LEU A N 1 ATOM 786 C CA . LEU A 1 103 ? -38.769 32.568 -30.614 1.00 32.23 ? 158 LEU A CA 1 ATOM 787 C C . LEU A 1 103 ? -38.038 33.897 -30.775 1.00 29.68 ? 158 LEU A C 1 ATOM 788 O O . LEU A 1 103 ? -38.481 34.917 -30.246 1.00 34.44 ? 158 LEU A O 1 ATOM 789 C CB . LEU A 1 103 ? -40.020 32.546 -31.495 1.00 30.10 ? 158 LEU A CB 1 ATOM 790 C CG . LEU A 1 103 ? -40.982 31.370 -31.328 1.00 28.95 ? 158 LEU A CG 1 ATOM 791 C CD1 . LEU A 1 103 ? -42.197 31.563 -32.219 1.00 33.42 ? 158 LEU A CD1 1 ATOM 792 C CD2 . LEU A 1 103 ? -40.293 30.056 -31.642 1.00 37.19 ? 158 LEU A CD2 1 ATOM 793 N N . ILE A 1 104 ? -36.921 33.888 -31.497 1.00 26.56 ? 159 ILE A N 1 ATOM 794 C CA . ILE A 1 104 ? -36.149 35.107 -31.724 1.00 34.90 ? 159 ILE A CA 1 ATOM 795 C C . ILE A 1 104 ? -35.600 35.175 -33.144 1.00 29.51 ? 159 ILE A C 1 ATOM 796 O O . ILE A 1 104 ? -35.397 34.149 -33.795 1.00 30.69 ? 159 ILE A O 1 ATOM 797 C CB . ILE A 1 104 ? -34.970 35.225 -30.733 1.00 44.02 ? 159 ILE A CB 1 ATOM 798 C CG1 . ILE A 1 104 ? -34.083 33.978 -30.801 1.00 50.20 ? 159 ILE A CG1 1 ATOM 799 C CG2 . ILE A 1 104 ? -35.489 35.432 -29.316 1.00 44.46 ? 159 ILE A CG2 1 ATOM 800 C CD1 . ILE A 1 104 ? -32.762 34.130 -30.079 1.00 54.31 ? 159 ILE A CD1 1 ATOM 801 N N . GLN A 1 105 ? -35.369 36.396 -33.617 1.00 27.75 ? 160 GLN A N 1 ATOM 802 C CA . GLN A 1 105 ? -34.736 36.613 -34.910 1.00 37.91 ? 160 GLN A CA 1 ATOM 803 C C . GLN A 1 105 ? -33.223 36.666 -34.743 1.00 40.17 ? 160 GLN A C 1 ATOM 804 O O . GLN A 1 105 ? -32.705 37.461 -33.956 1.00 43.71 ? 160 GLN A O 1 ATOM 805 C CB . GLN A 1 105 ? -35.243 37.904 -35.554 1.00 45.21 ? 160 GLN A CB 1 ATOM 806 C CG . GLN A 1 105 ? -34.607 38.212 -36.903 1.00 52.54 ? 160 GLN A CG 1 ATOM 807 C CD . GLN A 1 105 ? -35.215 39.428 -37.574 1.00 56.37 ? 160 GLN A CD 1 ATOM 808 O OE1 . GLN A 1 105 ? -36.388 39.424 -37.947 1.00 55.91 ? 160 GLN A OE1 1 ATOM 809 N NE2 . GLN A 1 105 ? -34.418 40.479 -37.728 1.00 55.31 ? 160 GLN A NE2 1 ATOM 810 N N . MET A 1 106 ? -32.525 35.811 -35.484 1.00 40.09 ? 161 MET A N 1 ATOM 811 C CA . MET A 1 106 ? -31.068 35.771 -35.464 1.00 40.78 ? 161 MET A CA 1 ATOM 812 C C . MET A 1 106 ? -30.506 36.044 -36.852 1.00 47.69 ? 161 MET A C 1 ATOM 813 O O . MET A 1 106 ? -31.023 35.540 -37.848 1.00 48.01 ? 161 MET A O 1 ATOM 814 C CB . MET A 1 106 ? -30.569 34.413 -34.969 1.00 37.42 ? 161 MET A CB 1 ATOM 815 C CG . MET A 1 106 ? -31.048 34.033 -33.580 1.00 35.66 ? 161 MET A CG 1 ATOM 816 S SD . MET A 1 106 ? -30.339 32.470 -33.025 1.00 39.44 ? 161 MET A SD 1 ATOM 817 C CE . MET A 1 106 ? -28.622 32.927 -32.788 1.00 34.56 ? 161 MET A CE 1 ATOM 818 N N . GLU A 1 107 ? -29.449 36.847 -36.908 1.00 53.76 ? 162 GLU A N 1 ATOM 819 C CA . GLU A 1 107 ? -28.717 37.074 -38.147 1.00 53.62 ? 162 GLU A CA 1 ATOM 820 C C . GLU A 1 107 ? -27.615 36.030 -38.271 1.00 49.65 ? 162 GLU A C 1 ATOM 821 O O . GLU A 1 107 ? -27.278 35.359 -37.295 1.00 44.86 ? 162 GLU A O 1 ATOM 822 C CB . GLU A 1 107 ? -28.126 38.485 -38.180 1.00 58.92 ? 162 GLU A CB 1 ATOM 823 C CG . GLU A 1 107 ? -29.166 39.598 -38.128 1.00 65.68 ? 162 GLU A CG 1 ATOM 824 C CD . GLU A 1 107 ? -30.034 39.656 -39.373 1.00 71.96 ? 162 GLU A CD 1 ATOM 825 O OE1 . GLU A 1 107 ? -29.585 39.188 -40.441 1.00 77.44 ? 162 GLU A OE1 1 ATOM 826 O OE2 . GLU A 1 107 ? -31.169 40.171 -39.282 1.00 69.40 ? 162 GLU A OE2 1 ATOM 827 N N . LYS A 1 108 ? -27.060 35.889 -39.470 1.00 46.94 ? 163 LYS A N 1 ATOM 828 C CA . LYS A 1 108 ? -25.982 34.937 -39.697 1.00 46.61 ? 163 LYS A CA 1 ATOM 829 C C . LYS A 1 108 ? -24.776 35.286 -38.830 1.00 48.67 ? 163 LYS A C 1 ATOM 830 O O . LYS A 1 108 ? -24.176 36.349 -38.991 1.00 54.33 ? 163 LYS A O 1 ATOM 831 C CB . LYS A 1 108 ? -25.585 34.914 -41.175 1.00 49.89 ? 163 LYS A CB 1 ATOM 832 C CG . LYS A 1 108 ? -24.460 33.945 -41.500 1.00 56.83 ? 163 LYS A CG 1 ATOM 833 C CD . LYS A 1 108 ? -24.280 33.790 -43.002 1.00 66.53 ? 163 LYS A CD 1 ATOM 834 C CE . LYS A 1 108 ? -23.110 32.878 -43.333 1.00 74.84 ? 163 LYS A CE 1 ATOM 835 N NZ . LYS A 1 108 ? -21.801 33.489 -42.971 1.00 79.82 ? 163 LYS A NZ 1 ATOM 836 N N . GLY A 1 109 ? -24.440 34.390 -37.905 1.00 46.36 ? 164 GLY A N 1 ATOM 837 C CA . GLY A 1 109 ? -23.304 34.580 -37.018 1.00 45.16 ? 164 GLY A CA 1 ATOM 838 C C . GLY A 1 109 ? -23.701 34.826 -35.574 1.00 47.55 ? 164 GLY A C 1 ATOM 839 O O . GLY A 1 109 ? -22.861 34.754 -34.676 1.00 51.46 ? 164 GLY A O 1 ATOM 840 N N . ASP A 1 110 ? -24.978 35.119 -35.345 1.00 43.90 ? 165 ASP A N 1 ATOM 841 C CA . ASP A 1 110 ? -25.482 35.341 -33.993 1.00 42.46 ? 165 ASP A CA 1 ATOM 842 C C . ASP A 1 110 ? -25.315 34.090 -33.139 1.00 38.14 ? 165 ASP A C 1 ATOM 843 O O . ASP A 1 110 ? -25.572 32.979 -33.600 1.00 32.44 ? 165 ASP A O 1 ATOM 844 C CB . ASP A 1 110 ? -26.952 35.759 -34.029 1.00 45.27 ? 165 ASP A CB 1 ATOM 845 C CG . ASP A 1 110 ? -27.135 37.206 -34.441 1.00 50.49 ? 165 ASP A CG 1 ATOM 846 O OD1 . ASP A 1 110 ? -26.195 37.782 -35.029 1.00 56.80 ? 165 ASP A OD1 1 ATOM 847 O OD2 . ASP A 1 110 ? -28.221 37.766 -34.180 1.00 45.56 ? 165 ASP A OD2 1 ATOM 848 N N . ARG A 1 111 ? -24.892 34.284 -31.893 1.00 42.88 ? 166 ARG A N 1 ATOM 849 C CA . ARG A 1 111 ? -24.569 33.178 -30.997 1.00 54.87 ? 166 ARG A CA 1 ATOM 850 C C . ARG A 1 111 ? -25.577 33.042 -29.859 1.00 45.32 ? 166 ARG A C 1 ATOM 851 O O . ARG A 1 111 ? -25.901 34.021 -29.185 1.00 41.26 ? 166 ARG A O 1 ATOM 852 C CB . ARG A 1 111 ? -23.163 33.364 -30.427 1.00 80.35 ? 166 ARG A CB 1 ATOM 853 C CG . ARG A 1 111 ? -22.074 33.360 -31.486 1.00 81.36 ? 166 ARG A CG 1 ATOM 854 C CD . ARG A 1 111 ? -20.691 33.529 -30.884 1.00 80.24 ? 166 ARG A CD 1 ATOM 855 N NE . ARG A 1 111 ? -19.662 32.933 -31.735 1.00 81.79 ? 166 ARG A NE 1 ATOM 856 C CZ . ARG A 1 111 ? -19.116 31.733 -31.546 1.00 82.87 ? 166 ARG A CZ 1 ATOM 857 N NH1 . ARG A 1 111 ? -19.477 30.972 -30.520 1.00 82.05 ? 166 ARG A NH1 1 ATOM 858 N NH2 . ARG A 1 111 ? -18.192 31.292 -32.389 1.00 93.34 ? 166 ARG A NH2 1 ATOM 859 N N . ALA A 1 112 ? -26.060 31.819 -29.652 1.00 40.12 ? 167 ALA A N 1 ATOM 860 C CA . ALA A 1 112 ? -27.032 31.527 -28.600 1.00 34.39 ? 167 ALA A CA 1 ATOM 861 C C . ALA A 1 112 ? -26.517 30.444 -27.657 1.00 32.78 ? 167 ALA A C 1 ATOM 862 O O . ALA A 1 112 ? -26.058 29.390 -28.097 1.00 33.57 ? 167 ALA A O 1 ATOM 863 C CB . ALA A 1 112 ? -28.357 31.105 -29.207 1.00 37.68 ? 167 ALA A CB 1 ATOM 864 N N . TYR A 1 113 ? -26.606 30.707 -26.357 1.00 31.64 ? 168 TYR A N 1 ATOM 865 C CA . TYR A 1 113 ? -26.149 29.758 -25.349 1.00 32.71 ? 168 TYR A CA 1 ATOM 866 C C . TYR A 1 113 ? -26.792 30.048 -23.995 1.00 31.90 ? 168 TYR A C 1 ATOM 867 O O . TYR A 1 113 ? -27.400 31.102 -23.802 1.00 30.11 ? 168 TYR A O 1 ATOM 868 C CB . TYR A 1 113 ? -24.624 29.803 -25.230 1.00 34.87 ? 168 TYR A CB 1 ATOM 869 C CG . TYR A 1 113 ? -24.083 31.168 -24.873 1.00 38.73 ? 168 TYR A CG 1 ATOM 870 C CD1 . TYR A 1 113 ? -23.818 32.111 -25.858 1.00 40.26 ? 168 TYR A CD1 1 ATOM 871 C CD2 . TYR A 1 113 ? -23.838 31.515 -23.552 1.00 38.74 ? 168 TYR A CD2 1 ATOM 872 C CE1 . TYR A 1 113 ? -23.324 33.361 -25.535 1.00 43.22 ? 168 TYR A CE1 1 ATOM 873 C CE2 . TYR A 1 113 ? -23.344 32.761 -23.219 1.00 38.88 ? 168 TYR A CE2 1 ATOM 874 C CZ . TYR A 1 113 ? -23.089 33.680 -24.214 1.00 43.52 ? 168 TYR A CZ 1 ATOM 875 O OH . TYR A 1 113 ? -22.597 34.923 -23.886 1.00 50.26 ? 168 TYR A OH 1 ATOM 876 N N . LEU A 1 114 ? -26.654 29.106 -23.066 1.00 28.76 ? 169 LEU A N 1 ATOM 877 C CA . LEU A 1 114 ? -27.217 29.245 -21.726 1.00 31.91 ? 169 LEU A CA 1 ATOM 878 C C . LEU A 1 114 ? -26.142 29.596 -20.706 1.00 32.37 ? 169 LEU A C 1 ATOM 879 O O . LEU A 1 114 ? -25.089 28.959 -20.658 1.00 29.84 ? 169 LEU A O 1 ATOM 880 C CB . LEU A 1 114 ? -27.920 27.954 -21.305 1.00 32.60 ? 169 LEU A CB 1 ATOM 881 C CG . LEU A 1 114 ? -29.080 27.490 -22.187 1.00 34.51 ? 169 LEU A CG 1 ATOM 882 C CD1 . LEU A 1 114 ? -29.636 26.172 -21.670 1.00 30.19 ? 169 LEU A CD1 1 ATOM 883 C CD2 . LEU A 1 114 ? -30.177 28.545 -22.259 1.00 32.79 ? 169 LEU A CD2 1 ATOM 884 N N . LYS A 1 115 ? -26.421 30.608 -19.888 1.00 33.39 ? 170 LYS A N 1 ATOM 885 C CA . LYS A 1 115 ? -25.493 31.039 -18.850 1.00 41.71 ? 170 LYS A CA 1 ATOM 886 C C . LYS A 1 115 ? -26.161 31.006 -17.480 1.00 43.76 ? 170 LYS A C 1 ATOM 887 O O . LYS A 1 115 ? -27.346 31.318 -17.348 1.00 43.92 ? 170 LYS A O 1 ATOM 888 C CB . LYS A 1 115 ? -24.974 32.448 -19.140 1.00 46.26 ? 170 LYS A CB 1 ATOM 889 C CG . LYS A 1 115 ? -23.648 32.760 -18.461 1.00 55.11 ? 170 LYS A CG 1 ATOM 890 C CD . LYS A 1 115 ? -23.399 34.256 -18.357 1.00 64.85 ? 170 LYS A CD 1 ATOM 891 C CE . LYS A 1 115 ? -24.177 34.873 -17.201 1.00 70.83 ? 170 LYS A CE 1 ATOM 892 N NZ . LYS A 1 115 ? -24.029 36.354 -17.148 1.00 71.32 ? 170 LYS A NZ 1 ATOM 893 N N . LEU A 1 116 ? -25.390 30.627 -16.467 1.00 41.95 ? 171 LEU A N 1 ATOM 894 C CA . LEU A 1 116 ? -25.875 30.597 -15.092 1.00 40.52 ? 171 LEU A CA 1 ATOM 895 C C . LEU A 1 116 ? -25.624 31.953 -14.436 1.00 39.82 ? 171 LEU A C 1 ATOM 896 O O . LEU A 1 116 ? -24.505 32.255 -14.020 1.00 40.75 ? 171 LEU A O 1 ATOM 897 C CB . LEU A 1 116 ? -25.188 29.474 -14.310 1.00 43.60 ? 171 LEU A CB 1 ATOM 898 C CG . LEU A 1 116 ? -25.816 29.045 -12.983 1.00 44.41 ? 171 LEU A CG 1 ATOM 899 C CD1 . LEU A 1 116 ? -27.208 28.472 -13.192 1.00 44.22 ? 171 LEU A CD1 1 ATOM 900 C CD2 . LEU A 1 116 ? -24.925 28.026 -12.296 1.00 46.19 ? 171 LEU A CD2 1 ATOM 901 N N . GLU A 1 117 ? -26.670 32.769 -14.353 1.00 41.92 ? 172 GLU A N 1 ATOM 902 C CA . GLU A 1 117 ? -26.538 34.144 -13.882 1.00 41.80 ? 172 GLU A CA 1 ATOM 903 C C . GLU A 1 117 ? -26.438 34.232 -12.358 1.00 40.17 ? 172 GLU A C 1 ATOM 904 O O . GLU A 1 117 ? -25.788 35.133 -11.826 1.00 40.03 ? 172 GLU A O 1 ATOM 905 C CB . GLU A 1 117 ? -27.719 34.982 -14.380 1.00 45.14 ? 172 GLU A CB 1 ATOM 906 C CG . GLU A 1 117 ? -27.581 36.474 -14.106 1.00 50.52 ? 172 GLU A CG 1 ATOM 907 C CD . GLU A 1 117 ? -28.661 37.303 -14.781 1.00 49.66 ? 172 GLU A CD 1 ATOM 908 O OE1 . GLU A 1 117 ? -29.104 36.928 -15.888 1.00 41.88 ? 172 GLU A OE1 1 ATOM 909 O OE2 . GLU A 1 117 ? -29.069 38.332 -14.203 1.00 53.87 ? 172 GLU A OE2 1 ATOM 910 N N . ARG A 1 118 ? -27.085 33.299 -11.664 1.00 42.09 ? 173 ARG A N 1 ATOM 911 C CA . ARG A 1 118 ? -27.021 33.230 -10.204 1.00 43.96 ? 173 ARG A CA 1 ATOM 912 C C . ARG A 1 118 ? -26.912 31.787 -9.730 1.00 38.34 ? 173 ARG A C 1 ATOM 913 O O . ARG A 1 118 ? -27.349 30.864 -10.416 1.00 35.37 ? 173 ARG A O 1 ATOM 914 C CB . ARG A 1 118 ? -28.250 33.888 -9.571 1.00 51.66 ? 173 ARG A CB 1 ATOM 915 C CG . ARG A 1 118 ? -28.241 35.407 -9.632 1.00 63.60 ? 173 ARG A CG 1 ATOM 916 C CD . ARG A 1 118 ? -29.486 36.019 -9.006 1.00 78.20 ? 173 ARG A CD 1 ATOM 917 N NE . ARG A 1 118 ? -29.552 35.801 -7.560 1.00 90.86 ? 173 ARG A NE 1 ATOM 918 C CZ . ARG A 1 118 ? -30.355 34.928 -6.952 1.00 95.88 ? 173 ARG A CZ 1 ATOM 919 N NH1 . ARG A 1 118 ? -31.188 34.166 -7.650 1.00 96.13 ? 173 ARG A NH1 1 ATOM 920 N NH2 . ARG A 1 118 ? -30.328 34.820 -5.630 1.00 96.81 ? 173 ARG A NH2 1 ATOM 921 N N . GLY A 1 119 ? -26.328 31.603 -8.551 1.00 40.16 ? 174 GLY A N 1 ATOM 922 C CA . GLY A 1 119 ? -26.175 30.282 -7.970 1.00 37.14 ? 174 GLY A CA 1 ATOM 923 C C . GLY A 1 119 ? -25.178 29.426 -8.724 1.00 35.65 ? 174 GLY A C 1 ATOM 924 O O . GLY A 1 119 ? -24.561 29.879 -9.690 1.00 36.73 ? 174 GLY A O 1 ATOM 925 N N . ASN A 1 120 ? -25.020 28.184 -8.276 1.00 35.21 ? 175 ASN A N 1 ATOM 926 C CA . ASN A 1 120 ? -24.126 27.229 -8.922 1.00 40.54 ? 175 ASN A CA 1 ATOM 927 C C . ASN A 1 120 ? -24.829 25.900 -9.162 1.00 40.93 ? 175 ASN A C 1 ATOM 928 O O . ASN A 1 120 ? -25.931 25.673 -8.660 1.00 39.08 ? 175 ASN A O 1 ATOM 929 C CB . ASN A 1 120 ? -22.868 27.008 -8.080 1.00 42.76 ? 175 ASN A CB 1 ATOM 930 C CG . ASN A 1 120 ? -23.180 26.521 -6.678 1.00 52.05 ? 175 ASN A CG 1 ATOM 931 O OD1 . ASN A 1 120 ? -23.637 25.394 -6.484 1.00 52.50 ? 175 ASN A OD1 1 ATOM 932 N ND2 . ASN A 1 120 ? -22.919 27.366 -5.688 1.00 58.41 ? 175 ASN A ND2 1 ATOM 933 N N . LEU A 1 121 ? -24.182 25.029 -9.929 1.00 37.22 ? 176 LEU A N 1 ATOM 934 C CA . LEU A 1 121 ? -24.723 23.708 -10.228 1.00 37.21 ? 176 LEU A CA 1 ATOM 935 C C . LEU A 1 121 ? -23.869 22.617 -9.591 1.00 38.10 ? 176 LEU A C 1 ATOM 936 O O . LEU A 1 121 ? -23.653 21.556 -10.178 1.00 35.27 ? 176 LEU A O 1 ATOM 937 C CB . LEU A 1 121 ? -24.820 23.502 -11.741 1.00 43.49 ? 176 LEU A CB 1 ATOM 938 C CG . LEU A 1 121 ? -25.876 24.364 -12.439 1.00 47.80 ? 176 LEU A CG 1 ATOM 939 C CD1 . LEU A 1 121 ? -25.696 24.322 -13.948 1.00 45.04 ? 176 LEU A CD1 1 ATOM 940 C CD2 . LEU A 1 121 ? -27.282 23.912 -12.056 1.00 44.56 ? 176 LEU A CD2 1 ATOM 941 N N . MET A 1 122 ? -23.381 22.889 -8.384 1.00 42.05 ? 177 MET A N 1 ATOM 942 C CA . MET A 1 122 ? -22.683 21.878 -7.605 1.00 43.38 ? 177 MET A CA 1 ATOM 943 C C . MET A 1 122 ? -23.668 20.771 -7.254 1.00 39.73 ? 177 MET A C 1 ATOM 944 O O . MET A 1 122 ? -24.765 21.040 -6.763 1.00 42.24 ? 177 MET A O 1 ATOM 945 C CB . MET A 1 122 ? -22.071 22.484 -6.340 1.00 51.55 ? 177 MET A CB 1 ATOM 946 C CG . MET A 1 122 ? -21.023 23.559 -6.609 1.00 56.71 ? 177 MET A CG 1 ATOM 947 S SD . MET A 1 122 ? -19.592 22.955 -7.528 1.00 88.88 ? 177 MET A SD 1 ATOM 948 C CE . MET A 1 122 ? -18.855 21.841 -6.334 1.00 104.91 ? 177 MET A CE 1 ATOM 949 N N . GLY A 1 123 ? -23.270 19.530 -7.516 1.00 40.60 ? 178 GLY A N 1 ATOM 950 C CA . GLY A 1 123 ? -24.154 18.387 -7.379 1.00 39.56 ? 178 GLY A CA 1 ATOM 951 C C . GLY A 1 123 ? -24.601 17.891 -8.742 1.00 42.81 ? 178 GLY A C 1 ATOM 952 O O . GLY A 1 123 ? -25.398 16.956 -8.843 1.00 46.83 ? 178 GLY A O 1 ATOM 953 N N . GLY A 1 124 ? -24.086 18.523 -9.793 1.00 44.05 ? 179 GLY A N 1 ATOM 954 C CA . GLY A 1 124 ? -24.412 18.144 -11.155 1.00 41.69 ? 179 GLY A CA 1 ATOM 955 C C . GLY A 1 124 ? -25.729 18.734 -11.620 1.00 36.64 ? 179 GLY A C 1 ATOM 956 O O . GLY A 1 124 ? -26.519 19.223 -10.812 1.00 31.60 ? 179 GLY A O 1 ATOM 957 N N . TRP A 1 125 ? -25.957 18.692 -12.929 1.00 37.30 ? 180 TRP A N 1 ATOM 958 C CA . TRP A 1 125 ? -27.212 19.156 -13.511 1.00 32.51 ? 180 TRP A CA 1 ATOM 959 C C . TRP A 1 125 ? -27.717 18.135 -14.526 1.00 32.51 ? 180 TRP A C 1 ATOM 960 O O . TRP A 1 125 ? -28.134 18.483 -15.631 1.00 36.45 ? 180 TRP A O 1 ATOM 961 C CB . TRP A 1 125 ? -27.035 20.536 -14.158 1.00 31.72 ? 180 TRP A CB 1 ATOM 962 C CG . TRP A 1 125 ? -26.014 20.588 -15.259 1.00 33.27 ? 180 TRP A CG 1 ATOM 963 C CD1 . TRP A 1 125 ? -26.259 20.648 -16.601 1.00 33.48 ? 180 TRP A CD1 1 ATOM 964 C CD2 . TRP A 1 125 ? -24.589 20.593 -15.112 1.00 32.71 ? 180 TRP A CD2 1 ATOM 965 N NE1 . TRP A 1 125 ? -25.076 20.685 -17.298 1.00 29.47 ? 180 TRP A NE1 1 ATOM 966 C CE2 . TRP A 1 125 ? -24.036 20.653 -16.406 1.00 30.26 ? 180 TRP A CE2 1 ATOM 967 C CE3 . TRP A 1 125 ? -23.727 20.551 -14.011 1.00 37.25 ? 180 TRP A CE3 1 ATOM 968 C CZ2 . TRP A 1 125 ? -22.661 20.672 -16.630 1.00 32.68 ? 180 TRP A CZ2 1 ATOM 969 C CZ3 . TRP A 1 125 ? -22.363 20.569 -14.236 1.00 39.35 ? 180 TRP A CZ3 1 ATOM 970 C CH2 . TRP A 1 125 ? -21.844 20.629 -15.535 1.00 37.15 ? 180 TRP A CH2 1 ATOM 971 N N . LYS A 1 126 ? -27.676 16.868 -14.126 1.00 32.12 ? 181 LYS A N 1 ATOM 972 C CA . LYS A 1 126 ? -28.145 15.766 -14.958 1.00 33.29 ? 181 LYS A CA 1 ATOM 973 C C . LYS A 1 126 ? -29.589 15.992 -15.401 1.00 32.83 ? 181 LYS A C 1 ATOM 974 O O . LYS A 1 126 ? -30.337 16.712 -14.742 1.00 37.58 ? 181 LYS A O 1 ATOM 975 C CB . LYS A 1 126 ? -28.019 14.447 -14.192 1.00 34.04 ? 181 LYS A CB 1 ATOM 976 C CG . LYS A 1 126 ? -28.333 13.201 -15.002 1.00 38.07 ? 181 LYS A CG 1 ATOM 977 C CD . LYS A 1 126 ? -28.048 11.945 -14.190 1.00 42.97 ? 181 LYS A CD 1 ATOM 978 C CE . LYS A 1 126 ? -28.430 10.682 -14.945 1.00 48.08 ? 181 LYS A CE 1 ATOM 979 N NZ . LYS A 1 126 ? -28.238 9.459 -14.115 1.00 48.70 ? 181 LYS A NZ 1 ATOM 980 N N . TYR A 1 127 ? -29.956 15.383 -16.528 1.00 37.47 ? 182 TYR A N 1 ATOM 981 C CA . TYR A 1 127 ? -31.297 15.486 -17.119 1.00 41.48 ? 182 TYR A CA 1 ATOM 982 C C . TYR A 1 127 ? -31.597 16.869 -17.706 1.00 37.66 ? 182 TYR A C 1 ATOM 983 O O . TYR A 1 127 ? -32.709 17.113 -18.173 1.00 36.70 ? 182 TYR A O 1 ATOM 984 C CB . TYR A 1 127 ? -32.385 15.127 -16.096 1.00 43.21 ? 182 TYR A CB 1 ATOM 985 C CG . TYR A 1 127 ? -32.269 13.733 -15.523 1.00 47.48 ? 182 TYR A CG 1 ATOM 986 C CD1 . TYR A 1 127 ? -32.537 12.620 -16.307 1.00 47.19 ? 182 TYR A CD1 1 ATOM 987 C CD2 . TYR A 1 127 ? -31.907 13.530 -14.197 1.00 48.63 ? 182 TYR A CD2 1 ATOM 988 C CE1 . TYR A 1 127 ? -32.439 11.342 -15.792 1.00 47.33 ? 182 TYR A CE1 1 ATOM 989 C CE2 . TYR A 1 127 ? -31.806 12.254 -13.672 1.00 47.29 ? 182 TYR A CE2 1 ATOM 990 C CZ . TYR A 1 127 ? -32.074 11.164 -14.474 1.00 47.04 ? 182 TYR A CZ 1 ATOM 991 O OH . TYR A 1 127 ? -31.975 9.892 -13.957 1.00 46.45 ? 182 TYR A OH 1 ATOM 992 N N . SER A 1 128 ? -30.616 17.767 -17.699 1.00 38.82 ? 183 SER A N 1 ATOM 993 C CA . SER A 1 128 ? -30.811 19.093 -18.282 1.00 32.07 ? 183 SER A CA 1 ATOM 994 C C . SER A 1 128 ? -30.891 18.994 -19.802 1.00 29.00 ? 183 SER A C 1 ATOM 995 O O . SER A 1 128 ? -30.258 18.127 -20.402 1.00 27.40 ? 183 SER A O 1 ATOM 996 C CB . SER A 1 128 ? -29.683 20.041 -17.872 1.00 30.62 ? 183 SER A CB 1 ATOM 997 O OG . SER A 1 128 ? -29.689 20.269 -16.473 1.00 30.05 ? 183 SER A OG 1 ATOM 998 N N . THR A 1 129 ? -31.669 19.883 -20.417 1.00 29.64 ? 184 THR A N 1 ATOM 999 C CA . THR A 1 129 ? -31.884 19.851 -21.863 1.00 30.74 ? 184 THR A CA 1 ATOM 1000 C C . THR A 1 129 ? -31.746 21.232 -22.498 1.00 26.40 ? 184 THR A C 1 ATOM 1001 O O . THR A 1 129 ? -32.003 22.254 -21.861 1.00 24.11 ? 184 THR A O 1 ATOM 1002 C CB . THR A 1 129 ? -33.280 19.298 -22.213 1.00 38.88 ? 184 THR A CB 1 ATOM 1003 O OG1 . THR A 1 129 ? -34.286 20.225 -21.788 1.00 41.47 ? 184 THR A OG1 1 ATOM 1004 C CG2 . THR A 1 129 ? -33.512 17.950 -21.544 1.00 44.49 ? 184 THR A CG2 1 ATOM 1005 N N . PHE A 1 130 ? -31.345 21.243 -23.765 1.00 23.47 ? 185 PHE A N 1 ATOM 1006 C CA . PHE A 1 130 ? -31.202 22.476 -24.529 1.00 27.18 ? 185 PHE A CA 1 ATOM 1007 C C . PHE A 1 130 ? -31.310 22.161 -26.016 1.00 24.32 ? 185 PHE A C 1 ATOM 1008 O O . PHE A 1 130 ? -30.447 21.485 -26.577 1.00 27.58 ? 185 PHE A O 1 ATOM 1009 C CB . PHE A 1 130 ? -29.863 23.154 -24.219 1.00 34.31 ? 185 PHE A CB 1 ATOM 1010 C CG . PHE A 1 130 ? -29.668 24.483 -24.908 1.00 33.06 ? 185 PHE A CG 1 ATOM 1011 C CD1 . PHE A 1 130 ? -30.751 25.285 -25.231 1.00 31.57 ? 185 PHE A CD1 1 ATOM 1012 C CD2 . PHE A 1 130 ? -28.395 24.927 -25.231 1.00 33.32 ? 185 PHE A CD2 1 ATOM 1013 C CE1 . PHE A 1 130 ? -30.568 26.504 -25.861 1.00 30.06 ? 185 PHE A CE1 1 ATOM 1014 C CE2 . PHE A 1 130 ? -28.206 26.145 -25.863 1.00 31.76 ? 185 PHE A CE2 1 ATOM 1015 C CZ . PHE A 1 130 ? -29.294 26.933 -26.177 1.00 32.42 ? 185 PHE A CZ 1 ATOM 1016 N N . SER A 1 131 ? -32.375 22.644 -26.649 1.00 24.86 ? 186 SER A N 1 ATOM 1017 C CA . SER A 1 131 ? -32.618 22.366 -28.060 1.00 29.42 ? 186 SER A CA 1 ATOM 1018 C C . SER A 1 131 ? -33.169 23.588 -28.782 1.00 28.89 ? 186 SER A C 1 ATOM 1019 O O . SER A 1 131 ? -33.673 24.520 -28.156 1.00 27.41 ? 186 SER A O 1 ATOM 1020 C CB . SER A 1 131 ? -33.584 21.189 -28.211 1.00 31.41 ? 186 SER A CB 1 ATOM 1021 O OG . SER A 1 131 ? -34.825 21.464 -27.586 1.00 34.97 ? 186 SER A OG 1 ATOM 1022 N N . GLY A 1 132 ? -33.061 23.576 -30.106 1.00 29.85 ? 187 GLY A N 1 ATOM 1023 C CA . GLY A 1 132 ? -33.572 24.657 -30.926 1.00 27.23 ? 187 GLY A CA 1 ATOM 1024 C C . GLY A 1 132 ? -33.628 24.265 -32.388 1.00 27.32 ? 187 GLY A C 1 ATOM 1025 O O . GLY A 1 132 ? -33.016 23.278 -32.796 1.00 24.62 ? 187 GLY A O 1 ATOM 1026 N N . PHE A 1 133 ? -34.365 25.036 -33.179 1.00 29.89 ? 188 PHE A N 1 ATOM 1027 C CA . PHE A 1 133 ? -34.488 24.763 -34.605 1.00 30.91 ? 188 PHE A CA 1 ATOM 1028 C C . PHE A 1 133 ? -34.905 26.009 -35.377 1.00 29.42 ? 188 PHE A C 1 ATOM 1029 O O . PHE A 1 133 ? -35.456 26.952 -34.809 1.00 29.49 ? 188 PHE A O 1 ATOM 1030 C CB . PHE A 1 133 ? -35.495 23.634 -34.848 1.00 33.50 ? 188 PHE A CB 1 ATOM 1031 C CG . PHE A 1 133 ? -36.909 23.991 -34.483 1.00 33.86 ? 188 PHE A CG 1 ATOM 1032 C CD1 . PHE A 1 133 ? -37.383 23.773 -33.200 1.00 35.37 ? 188 PHE A CD1 1 ATOM 1033 C CD2 . PHE A 1 133 ? -37.765 24.538 -35.424 1.00 34.44 ? 188 PHE A CD2 1 ATOM 1034 C CE1 . PHE A 1 133 ? -38.684 24.099 -32.863 1.00 38.28 ? 188 PHE A CE1 1 ATOM 1035 C CE2 . PHE A 1 133 ? -39.065 24.866 -35.092 1.00 33.22 ? 188 PHE A CE2 1 ATOM 1036 C CZ . PHE A 1 133 ? -39.525 24.645 -33.811 1.00 32.31 ? 188 PHE A CZ 1 ATOM 1037 N N . LEU A 1 134 ? -34.630 26.002 -36.678 1.00 35.26 ? 189 LEU A N 1 ATOM 1038 C CA . LEU A 1 134 ? -35.033 27.086 -37.564 1.00 36.04 ? 189 LEU A CA 1 ATOM 1039 C C . LEU A 1 134 ? -36.499 26.932 -37.951 1.00 37.74 ? 189 LEU A C 1 ATOM 1040 O O . LEU A 1 134 ? -36.881 25.951 -38.590 1.00 38.66 ? 189 LEU A O 1 ATOM 1041 C CB . LEU A 1 134 ? -34.152 27.111 -38.817 1.00 36.97 ? 189 LEU A CB 1 ATOM 1042 C CG . LEU A 1 134 ? -34.528 28.111 -39.916 1.00 37.23 ? 189 LEU A CG 1 ATOM 1043 C CD1 . LEU A 1 134 ? -34.437 29.542 -39.410 1.00 36.75 ? 189 LEU A CD1 1 ATOM 1044 C CD2 . LEU A 1 134 ? -33.640 27.917 -41.134 1.00 39.56 ? 189 LEU A CD2 1 ATOM 1045 N N . VAL A 1 135 ? -37.316 27.903 -37.558 1.00 35.08 ? 190 VAL A N 1 ATOM 1046 C CA . VAL A 1 135 ? -38.737 27.886 -37.884 1.00 31.70 ? 190 VAL A CA 1 ATOM 1047 C C . VAL A 1 135 ? -38.920 28.224 -39.361 1.00 34.14 ? 190 VAL A C 1 ATOM 1048 O O . VAL A 1 135 ? -39.601 27.506 -40.092 1.00 36.24 ? 190 VAL A O 1 ATOM 1049 C CB . VAL A 1 135 ? -39.533 28.878 -37.014 1.00 31.02 ? 190 VAL A CB 1 ATOM 1050 C CG1 . VAL A 1 135 ? -41.028 28.691 -37.226 1.00 29.84 ? 190 VAL A CG1 1 ATOM 1051 C CG2 . VAL A 1 135 ? -39.186 28.697 -35.539 1.00 31.72 ? 190 VAL A CG2 1 ATOM 1052 N N . PHE A 1 136 ? -38.308 29.323 -39.790 1.00 33.11 ? 191 PHE A N 1 ATOM 1053 C CA . PHE A 1 136 ? -38.256 29.674 -41.205 1.00 32.34 ? 191 PHE A CA 1 ATOM 1054 C C . PHE A 1 136 ? -37.228 30.779 -41.437 1.00 29.71 ? 191 PHE A C 1 ATOM 1055 O O . PHE A 1 136 ? -36.994 31.604 -40.554 1.00 28.73 ? 191 PHE A O 1 ATOM 1056 C CB . PHE A 1 136 ? -39.632 30.114 -41.719 1.00 36.49 ? 191 PHE A CB 1 ATOM 1057 C CG . PHE A 1 136 ? -40.301 31.155 -40.866 1.00 32.88 ? 191 PHE A CG 1 ATOM 1058 C CD1 . PHE A 1 136 ? -39.874 32.471 -40.887 1.00 30.44 ? 191 PHE A CD1 1 ATOM 1059 C CD2 . PHE A 1 136 ? -41.372 30.818 -40.057 1.00 37.54 ? 191 PHE A CD2 1 ATOM 1060 C CE1 . PHE A 1 136 ? -40.492 33.428 -40.107 1.00 31.85 ? 191 PHE A CE1 1 ATOM 1061 C CE2 . PHE A 1 136 ? -41.995 31.770 -39.275 1.00 37.34 ? 191 PHE A CE2 1 ATOM 1062 C CZ . PHE A 1 136 ? -41.555 33.077 -39.301 1.00 34.73 ? 191 PHE A CZ 1 ATOM 1063 N N . PRO A 1 137 ? -36.600 30.795 -42.624 1.00 31.79 ? 192 PRO A N 1 ATOM 1064 C CA . PRO A 1 137 ? -35.627 31.847 -42.936 1.00 29.71 ? 192 PRO A CA 1 ATOM 1065 C C . PRO A 1 137 ? -36.291 33.161 -43.342 1.00 37.85 ? 192 PRO A C 1 ATOM 1066 O O . PRO A 1 137 ? -37.498 33.190 -43.586 1.00 38.85 ? 192 PRO A O 1 ATOM 1067 C CB . PRO A 1 137 ? -34.838 31.253 -44.101 1.00 33.00 ? 192 PRO A CB 1 ATOM 1068 C CG . PRO A 1 137 ? -35.816 30.366 -44.787 1.00 35.58 ? 192 PRO A CG 1 ATOM 1069 C CD . PRO A 1 137 ? -36.692 29.796 -43.705 1.00 35.16 ? 192 PRO A CD 1 ATOM 1070 N N . LEU A 1 138 ? -35.500 34.229 -43.410 1.00 45.51 ? 193 LEU A N 1 ATOM 1071 C CA . LEU A 1 138 ? -35.988 35.539 -43.830 1.00 45.64 ? 193 LEU A CA 1 ATOM 1072 C C . LEU A 1 138 ? -35.077 36.124 -44.904 1.00 53.99 ? 193 LEU A C 1 ATOM 1073 O O . LEU A 1 138 ? -33.853 36.029 -44.812 1.00 56.11 ? 193 LEU A O 1 ATOM 1074 C CB . LEU A 1 138 ? -36.073 36.492 -42.637 1.00 40.56 ? 193 LEU A CB 1 ATOM 1075 C CG . LEU A 1 138 ? -37.073 36.121 -41.540 1.00 37.20 ? 193 LEU A CG 1 ATOM 1076 C CD1 . LEU A 1 138 ? -36.842 36.978 -40.305 1.00 32.48 ? 193 LEU A CD1 1 ATOM 1077 C CD2 . LEU A 1 138 ? -38.503 36.271 -42.034 1.00 37.56 ? 193 LEU A CD2 1 ATOM 1078 N N . GLY A 1 139 ? -35.682 36.727 -45.922 1.00 61.38 ? 194 GLY A N 1 ATOM 1079 C CA . GLY A 1 139 ? -34.930 37.315 -47.015 1.00 66.31 ? 194 GLY A CA 1 ATOM 1080 C C . GLY A 1 139 ? -34.252 38.608 -46.607 1.00 70.04 ? 194 GLY A C 1 ATOM 1081 O O . GLY A 1 139 ? -34.684 39.276 -45.667 1.00 72.56 ? 194 GLY A O 1 HETATM 1082 C C1 . NAG B 2 . ? -16.147 25.593 -8.874 1.00 83.93 ? 301 NAG A C1 1 HETATM 1083 C C2 . NAG B 2 . ? -15.077 24.615 -8.380 1.00 81.89 ? 301 NAG A C2 1 HETATM 1084 C C3 . NAG B 2 . ? -15.560 23.877 -7.134 1.00 87.77 ? 301 NAG A C3 1 HETATM 1085 C C4 . NAG B 2 . ? -16.015 24.867 -6.072 1.00 90.02 ? 301 NAG A C4 1 HETATM 1086 C C5 . NAG B 2 . ? -17.070 25.797 -6.658 1.00 91.38 ? 301 NAG A C5 1 HETATM 1087 C C6 . NAG B 2 . ? -17.513 26.873 -5.693 1.00 95.41 ? 301 NAG A C6 1 HETATM 1088 C C7 . NAG B 2 . ? -13.489 23.571 -9.944 1.00 74.47 ? 301 NAG A C7 1 HETATM 1089 C C8 . NAG B 2 . ? -13.308 22.530 -11.008 1.00 73.23 ? 301 NAG A C8 1 HETATM 1090 N N2 . NAG B 2 . ? -14.718 23.668 -9.423 1.00 76.93 ? 301 NAG A N2 1 HETATM 1091 O O3 . NAG B 2 . ? -14.505 23.070 -6.624 1.00 91.13 ? 301 NAG A O3 1 HETATM 1092 O O4 . NAG B 2 . ? -16.559 24.174 -4.954 1.00 89.43 ? 301 NAG A O4 1 HETATM 1093 O O5 . NAG B 2 . ? -16.534 26.467 -7.807 1.00 87.75 ? 301 NAG A O5 1 HETATM 1094 O O6 . NAG B 2 . ? -18.738 27.464 -6.104 1.00 98.54 ? 301 NAG A O6 1 HETATM 1095 O O7 . NAG B 2 . ? -12.566 24.291 -9.575 1.00 73.49 ? 301 NAG A O7 1 HETATM 1096 O O . HOH C 3 . ? -22.511 41.479 -27.303 1.00 39.92 ? 401 HOH A O 1 HETATM 1097 O O . HOH C 3 . ? -17.604 28.117 -31.674 1.00 69.52 ? 402 HOH A O 1 HETATM 1098 O O . HOH C 3 . ? -22.495 21.276 -25.309 1.00 51.78 ? 403 HOH A O 1 HETATM 1099 O O . HOH C 3 . ? -38.858 25.312 -22.458 1.00 51.87 ? 404 HOH A O 1 HETATM 1100 O O . HOH C 3 . ? -27.065 15.939 -11.249 1.00 33.67 ? 405 HOH A O 1 HETATM 1101 O O . HOH C 3 . ? -23.902 17.202 -14.390 1.00 30.45 ? 406 HOH A O 1 HETATM 1102 O O . HOH C 3 . ? -23.450 28.101 -37.603 1.00 45.50 ? 407 HOH A O 1 HETATM 1103 O O . HOH C 3 . ? -36.217 38.358 -20.256 1.00 36.31 ? 408 HOH A O 1 HETATM 1104 O O . HOH C 3 . ? -35.580 23.951 -39.581 1.00 35.02 ? 409 HOH A O 1 HETATM 1105 O O . HOH C 3 . ? -27.260 22.531 -36.223 1.00 39.96 ? 410 HOH A O 1 HETATM 1106 O O . HOH C 3 . ? -27.214 20.896 -8.943 1.00 37.47 ? 411 HOH A O 1 HETATM 1107 O O . HOH C 3 . ? -31.971 33.364 -44.555 1.00 43.65 ? 412 HOH A O 1 HETATM 1108 O O . HOH C 3 . ? -35.810 14.169 -7.480 1.00 50.58 ? 413 HOH A O 1 HETATM 1109 O O . HOH C 3 . ? -20.204 34.405 -33.882 1.00 38.95 ? 414 HOH A O 1 HETATM 1110 O O . HOH C 3 . ? -35.150 21.086 -24.961 1.00 43.25 ? 415 HOH A O 1 HETATM 1111 O O . HOH C 3 . ? -40.269 27.799 -28.283 1.00 55.47 ? 416 HOH A O 1 HETATM 1112 O O . HOH C 3 . ? -37.693 35.465 -19.384 1.00 30.25 ? 417 HOH A O 1 HETATM 1113 O O . HOH C 3 . ? -38.438 36.973 -45.839 1.00 59.05 ? 418 HOH A O 1 HETATM 1114 O O . HOH C 3 . ? -19.185 25.541 -20.268 1.00 58.77 ? 419 HOH A O 1 HETATM 1115 O O . HOH C 3 . ? -38.642 30.037 -14.112 1.00 33.77 ? 420 HOH A O 1 HETATM 1116 O O . HOH C 3 . ? -33.856 38.005 -19.232 1.00 41.77 ? 421 HOH A O 1 HETATM 1117 O O . HOH C 3 . ? -28.069 16.938 -3.087 1.00 46.01 ? 422 HOH A O 1 HETATM 1118 O O . HOH C 3 . ? -35.959 38.621 -31.912 1.00 34.63 ? 423 HOH A O 1 HETATM 1119 O O . HOH C 3 . ? -20.059 17.414 -26.157 1.00 60.45 ? 424 HOH A O 1 HETATM 1120 O O . HOH C 3 . ? -17.697 14.996 -10.989 1.00 48.05 ? 425 HOH A O 1 HETATM 1121 O O . HOH C 3 . ? -25.202 26.568 -23.167 1.00 32.97 ? 426 HOH A O 1 HETATM 1122 O O . HOH C 3 . ? -18.902 21.551 -17.078 1.00 34.79 ? 427 HOH A O 1 HETATM 1123 O O . HOH C 3 . ? -28.725 35.282 -44.123 1.00 35.02 ? 428 HOH A O 1 HETATM 1124 O O . HOH C 3 . ? -22.258 14.313 -28.173 1.00 42.49 ? 429 HOH A O 1 HETATM 1125 O O . HOH C 3 . ? -21.865 25.866 -11.597 1.00 37.67 ? 430 HOH A O 1 HETATM 1126 O O . HOH C 3 . ? -28.159 27.498 -43.897 1.00 67.49 ? 431 HOH A O 1 HETATM 1127 O O . HOH C 3 . ? -19.460 24.469 -22.987 1.00 40.05 ? 432 HOH A O 1 HETATM 1128 O O . HOH C 3 . ? -32.408 41.082 -46.459 1.00 48.51 ? 433 HOH A O 1 HETATM 1129 O O . HOH C 3 . ? -20.044 25.863 -9.779 1.00 56.61 ? 434 HOH A O 1 HETATM 1130 O O . HOH C 3 . ? -12.162 31.897 -27.360 1.00 48.31 ? 435 HOH A O 1 HETATM 1131 O O . HOH C 3 . ? -27.636 14.908 -36.013 1.00 43.39 ? 436 HOH A O 1 HETATM 1132 O O . HOH C 3 . ? -8.347 28.935 -16.171 1.00 58.92 ? 437 HOH A O 1 HETATM 1133 O O . HOH C 3 . ? -27.999 37.278 -42.383 1.00 66.31 ? 438 HOH A O 1 HETATM 1134 O O . HOH C 3 . ? -24.383 33.907 -7.557 1.00 56.89 ? 439 HOH A O 1 HETATM 1135 O O . HOH C 3 . ? -38.948 27.275 -14.014 1.00 45.33 ? 440 HOH A O 1 HETATM 1136 O O . HOH C 3 . ? -26.231 17.836 -41.286 1.00 43.81 ? 441 HOH A O 1 HETATM 1137 O O . HOH C 3 . ? -22.336 17.080 -32.779 1.00 43.15 ? 442 HOH A O 1 HETATM 1138 O O . HOH C 3 . ? -23.818 24.281 -42.763 1.00 54.23 ? 443 HOH A O 1 HETATM 1139 O O . HOH C 3 . ? -21.769 23.845 -16.763 1.00 36.96 ? 444 HOH A O 1 HETATM 1140 O O . HOH C 3 . ? -27.103 24.458 -42.183 1.00 55.10 ? 445 HOH A O 1 HETATM 1141 O O . HOH C 3 . ? -36.716 24.195 -29.473 1.00 49.65 ? 446 HOH A O 1 HETATM 1142 O O . HOH C 3 . ? -18.552 15.500 -19.229 1.00 59.32 ? 447 HOH A O 1 HETATM 1143 O O . HOH C 3 . ? -18.046 14.916 -22.073 1.00 45.16 ? 448 HOH A O 1 HETATM 1144 O O . HOH C 3 . ? -38.275 40.974 -40.445 1.00 53.12 ? 449 HOH A O 1 HETATM 1145 O O . HOH C 3 . ? -33.855 22.685 -47.581 1.00 41.00 ? 450 HOH A O 1 HETATM 1146 O O . HOH C 3 . ? -21.359 26.969 -36.826 1.00 41.85 ? 451 HOH A O 1 HETATM 1147 O O . HOH C 3 . ? -30.518 29.973 -50.224 1.00 59.67 ? 452 HOH A O 1 HETATM 1148 O O . HOH C 3 . ? -32.889 15.014 -4.817 1.00 55.15 ? 453 HOH A O 1 HETATM 1149 O O . HOH C 3 . ? -34.097 40.023 -30.890 1.00 44.82 ? 454 HOH A O 1 HETATM 1150 O O . HOH C 3 . ? -29.791 17.936 6.043 1.00 62.82 ? 455 HOH A O 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 GLU 1 56 ? ? ? A . n A 1 2 THR 2 57 ? ? ? A . n A 1 3 GLY 3 58 58 GLY GLY A . n A 1 4 SER 4 59 59 SER SER A . n A 1 5 ALA 5 60 60 ALA ALA A . n A 1 6 LYS 6 61 61 LYS LYS A . n A 1 7 VAL 7 62 62 VAL VAL A . n A 1 8 ALA 8 63 63 ALA ALA A . n A 1 9 PHE 9 64 64 PHE PHE A . n A 1 10 SER 10 65 65 SER SER A . n A 1 11 ALA 11 66 66 ALA ALA A . n A 1 12 ILE 12 67 67 ILE ILE A . n A 1 13 ARG 13 68 68 ARG ARG A . n A 1 14 SER 14 69 69 SER SER A . n A 1 15 THR 15 70 70 THR THR A . n A 1 16 ASN 16 71 71 ASN ASN A . n A 1 17 HIS 17 72 72 HIS HIS A . n A 1 18 GLU 18 73 73 GLU GLU A . n A 1 19 PRO 19 74 74 PRO PRO A . n A 1 20 SER 20 75 75 SER SER A . n A 1 21 GLU 21 76 76 GLU GLU A . n A 1 22 MET 22 77 77 MET MET A . n A 1 23 SER 23 78 78 SER SER A . n A 1 24 ASN 24 79 79 ASN ASN A . n A 1 25 ARG 25 80 80 ARG ARG A . n A 1 26 THR 26 81 81 THR THR A . n A 1 27 MET 27 82 82 MET MET A . n A 1 28 ILE 28 83 83 ILE ILE A . n A 1 29 ILE 29 84 84 ILE ILE A . n A 1 30 TYR 30 85 85 TYR TYR A . n A 1 31 PHE 31 86 86 PHE PHE A . n A 1 32 ASP 32 87 87 ASP ASP A . n A 1 33 GLN 33 88 88 GLN GLN A . n A 1 34 VAL 34 89 89 VAL VAL A . n A 1 35 LEU 35 90 90 LEU LEU A . n A 1 36 VAL 36 91 91 VAL VAL A . n A 1 37 ASN 37 92 92 ASN ASN A . n A 1 38 ILE 38 93 93 ILE ILE A . n A 1 39 GLY 39 94 94 GLY GLY A . n A 1 40 ASN 40 95 95 ASN ASN A . n A 1 41 ASN 41 96 96 ASN ASN A . n A 1 42 PHE 42 97 97 PHE PHE A . n A 1 43 ASP 43 98 98 ASP ASP A . n A 1 44 SER 44 99 99 SER SER A . n A 1 45 GLU 45 100 100 GLU GLU A . n A 1 46 ARG 46 101 101 ARG ARG A . n A 1 47 SER 47 102 102 SER SER A . n A 1 48 THR 48 103 103 THR THR A . n A 1 49 PHE 49 104 104 PHE PHE A . n A 1 50 ILE 50 105 105 ILE ILE A . n A 1 51 ALA 51 106 106 ALA ALA A . n A 1 52 PRO 52 107 107 PRO PRO A . n A 1 53 ARG 53 108 108 ARG ARG A . n A 1 54 LYS 54 109 109 LYS LYS A . n A 1 55 GLY 55 110 110 GLY GLY A . n A 1 56 ILE 56 111 111 ILE ILE A . n A 1 57 TYR 57 112 112 TYR TYR A . n A 1 58 SER 58 113 113 SER SER A . n A 1 59 PHE 59 114 114 PHE PHE A . n A 1 60 ASN 60 115 115 ASN ASN A . n A 1 61 PHE 61 116 116 PHE PHE A . n A 1 62 HIS 62 117 117 HIS HIS A . n A 1 63 VAL 63 118 118 VAL VAL A . n A 1 64 VAL 64 119 119 VAL VAL A . n A 1 65 LYS 65 120 120 LYS LYS A . n A 1 66 VAL 66 121 121 VAL VAL A . n A 1 67 TYR 67 122 122 TYR TYR A . n A 1 68 ASN 68 123 123 ASN ASN A . n A 1 69 ARG 69 124 124 ARG ARG A . n A 1 70 GLN 70 125 125 GLN GLN A . n A 1 71 THR 71 126 126 THR THR A . n A 1 72 ILE 72 127 127 ILE ILE A . n A 1 73 GLN 73 128 128 GLN GLN A . n A 1 74 VAL 74 129 129 VAL VAL A . n A 1 75 SER 75 130 130 SER SER A . n A 1 76 LEU 76 131 131 LEU LEU A . n A 1 77 MET 77 132 132 MET MET A . n A 1 78 LEU 78 133 133 LEU LEU A . n A 1 79 ASN 79 134 134 ASN ASN A . n A 1 80 GLY 80 135 135 GLY GLY A . n A 1 81 TRP 81 136 136 TRP TRP A . n A 1 82 PRO 82 137 137 PRO PRO A . n A 1 83 VAL 83 138 138 VAL VAL A . n A 1 84 ILE 84 139 139 ILE ILE A . n A 1 85 SER 85 140 140 SER SER A . n A 1 86 ALA 86 141 141 ALA ALA A . n A 1 87 PHE 87 142 142 PHE PHE A . n A 1 88 ALA 88 143 143 ALA ALA A . n A 1 89 GLY 89 144 144 GLY GLY A . n A 1 90 ASP 90 145 145 ASP ASP A . n A 1 91 GLN 91 146 146 GLN GLN A . n A 1 92 ASP 92 147 147 ASP ASP A . n A 1 93 VAL 93 148 148 VAL VAL A . n A 1 94 THR 94 149 149 THR THR A . n A 1 95 ARG 95 150 150 ARG ARG A . n A 1 96 GLU 96 151 151 GLU GLU A . n A 1 97 ALA 97 152 152 ALA ALA A . n A 1 98 ALA 98 153 153 ALA ALA A . n A 1 99 SER 99 154 154 SER SER A . n A 1 100 ASN 100 155 155 ASN ASN A . n A 1 101 GLY 101 156 156 GLY GLY A . n A 1 102 VAL 102 157 157 VAL VAL A . n A 1 103 LEU 103 158 158 LEU LEU A . n A 1 104 ILE 104 159 159 ILE ILE A . n A 1 105 GLN 105 160 160 GLN GLN A . n A 1 106 MET 106 161 161 MET MET A . n A 1 107 GLU 107 162 162 GLU GLU A . n A 1 108 LYS 108 163 163 LYS LYS A . n A 1 109 GLY 109 164 164 GLY GLY A . n A 1 110 ASP 110 165 165 ASP ASP A . n A 1 111 ARG 111 166 166 ARG ARG A . n A 1 112 ALA 112 167 167 ALA ALA A . n A 1 113 TYR 113 168 168 TYR TYR A . n A 1 114 LEU 114 169 169 LEU LEU A . n A 1 115 LYS 115 170 170 LYS LYS A . n A 1 116 LEU 116 171 171 LEU LEU A . n A 1 117 GLU 117 172 172 GLU GLU A . n A 1 118 ARG 118 173 173 ARG ARG A . n A 1 119 GLY 119 174 174 GLY GLY A . n A 1 120 ASN 120 175 175 ASN ASN A . n A 1 121 LEU 121 176 176 LEU LEU A . n A 1 122 MET 122 177 177 MET MET A . n A 1 123 GLY 123 178 178 GLY GLY A . n A 1 124 GLY 124 179 179 GLY GLY A . n A 1 125 TRP 125 180 180 TRP TRP A . n A 1 126 LYS 126 181 181 LYS LYS A . n A 1 127 TYR 127 182 182 TYR TYR A . n A 1 128 SER 128 183 183 SER SER A . n A 1 129 THR 129 184 184 THR THR A . n A 1 130 PHE 130 185 185 PHE PHE A . n A 1 131 SER 131 186 186 SER SER A . n A 1 132 GLY 132 187 187 GLY GLY A . n A 1 133 PHE 133 188 188 PHE PHE A . n A 1 134 LEU 134 189 189 LEU LEU A . n A 1 135 VAL 135 190 190 VAL VAL A . n A 1 136 PHE 136 191 191 PHE PHE A . n A 1 137 PRO 137 192 192 PRO PRO A . n A 1 138 LEU 138 193 193 LEU LEU A . n A 1 139 GLY 139 194 194 GLY GLY A . n A 1 140 THR 140 195 ? ? ? A . n A 1 141 LYS 141 196 ? ? ? A . n A 1 142 HIS 142 197 ? ? ? A . n A 1 143 HIS 143 198 ? ? ? A . n A 1 144 HIS 144 199 ? ? ? A . n A 1 145 HIS 145 200 ? ? ? A . n A 1 146 HIS 146 201 ? ? ? A . n A 1 147 HIS 147 202 ? ? ? A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 301 195 NAG NAG A . C 3 HOH 1 401 210 HOH HOH A . C 3 HOH 2 402 250 HOH HOH A . C 3 HOH 3 403 232 HOH HOH A . C 3 HOH 4 404 233 HOH HOH A . C 3 HOH 5 405 199 HOH HOH A . C 3 HOH 6 406 197 HOH HOH A . C 3 HOH 7 407 225 HOH HOH A . C 3 HOH 8 408 205 HOH HOH A . C 3 HOH 9 409 203 HOH HOH A . C 3 HOH 10 410 211 HOH HOH A . C 3 HOH 11 411 207 HOH HOH A . C 3 HOH 12 412 220 HOH HOH A . C 3 HOH 13 413 231 HOH HOH A . C 3 HOH 14 414 209 HOH HOH A . C 3 HOH 15 415 218 HOH HOH A . C 3 HOH 16 416 238 HOH HOH A . C 3 HOH 17 417 196 HOH HOH A . C 3 HOH 18 418 243 HOH HOH A . C 3 HOH 19 419 241 HOH HOH A . C 3 HOH 20 420 200 HOH HOH A . C 3 HOH 21 421 214 HOH HOH A . C 3 HOH 22 422 226 HOH HOH A . C 3 HOH 23 423 201 HOH HOH A . C 3 HOH 24 424 246 HOH HOH A . C 3 HOH 25 425 227 HOH HOH A . C 3 HOH 26 426 198 HOH HOH A . C 3 HOH 27 427 202 HOH HOH A . C 3 HOH 28 428 204 HOH HOH A . C 3 HOH 29 429 216 HOH HOH A . C 3 HOH 30 430 208 HOH HOH A . C 3 HOH 31 431 249 HOH HOH A . C 3 HOH 32 432 212 HOH HOH A . C 3 HOH 33 433 229 HOH HOH A . C 3 HOH 34 434 239 HOH HOH A . C 3 HOH 35 435 228 HOH HOH A . C 3 HOH 36 436 219 HOH HOH A . C 3 HOH 37 437 242 HOH HOH A . C 3 HOH 38 438 248 HOH HOH A . C 3 HOH 39 439 240 HOH HOH A . C 3 HOH 40 440 224 HOH HOH A . C 3 HOH 41 441 221 HOH HOH A . C 3 HOH 42 442 217 HOH HOH A . C 3 HOH 43 443 235 HOH HOH A . C 3 HOH 44 444 206 HOH HOH A . C 3 HOH 45 445 236 HOH HOH A . C 3 HOH 46 446 230 HOH HOH A . C 3 HOH 47 447 244 HOH HOH A . C 3 HOH 48 448 223 HOH HOH A . C 3 HOH 49 449 234 HOH HOH A . C 3 HOH 50 450 213 HOH HOH A . C 3 HOH 51 451 215 HOH HOH A . C 3 HOH 52 452 245 HOH HOH A . C 3 HOH 53 453 237 HOH HOH A . C 3 HOH 54 454 222 HOH HOH A . C 3 HOH 55 455 247 HOH HOH A . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details trimeric _pdbx_struct_assembly.oligomeric_count 3 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2,3 _pdbx_struct_assembly_gen.asym_id_list A,B,C # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 5680 ? 1 MORE -31 ? 1 'SSA (A^2)' 17150 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 2_565 -y,x-y+1,z -0.5000000000 -0.8660254038 0.0000000000 -41.7100000000 0.8660254038 -0.5000000000 0.0000000000 72.2438391837 0.0000000000 0.0000000000 1.0000000000 0.0000000000 3 'crystal symmetry operation' 3_455 -x+y-1,-x,z -0.5000000000 0.8660254038 0.0000000000 -83.4200000000 -0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # _pdbx_point_symmetry.entry_id 5KC5 _pdbx_point_symmetry.Schoenflies_symbol C _pdbx_point_symmetry.circular_symmetry 3 _pdbx_point_symmetry.H-M_notation ? # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2016-07-27 # _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_ _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 ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? dev_1772 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4 # 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 92 ? ? -164.55 55.93 2 1 ASN A 123 ? ? -159.01 31.79 3 1 ASP A 145 ? ? -163.31 119.53 # 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 56 ? A GLU 1 2 1 Y 1 A THR 57 ? A THR 2 3 1 Y 1 A THR 195 ? A THR 140 4 1 Y 1 A LYS 196 ? A LYS 141 5 1 Y 1 A HIS 197 ? A HIS 142 6 1 Y 1 A HIS 198 ? A HIS 143 7 1 Y 1 A HIS 199 ? A HIS 144 8 1 Y 1 A HIS 200 ? A HIS 145 9 1 Y 1 A HIS 201 ? A HIS 146 10 1 Y 1 A HIS 202 ? A HIS 147 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 water HOH # _pdbx_reflns_twin.domain_id 1 _pdbx_reflns_twin.crystal_id 1 _pdbx_reflns_twin.diffrn_id 1 _pdbx_reflns_twin.type ? _pdbx_reflns_twin.operator h,-h-k,-l _pdbx_reflns_twin.fraction 0.170 #