data_3WMP # _entry.id 3WMP # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3WMP RCSB RCSB096528 WWPDB D_1000096528 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 3WMQ _pdbx_database_related.details . _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3WMP _pdbx_database_status.recvd_initial_deposition_date 2013-11-22 _pdbx_database_status.deposit_site PDBJ _pdbx_database_status.process_site PDBJ _pdbx_database_status.methods_development_category ? _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Kita, A.' 1 'Jimbo, M.' 2 'Sakai, R.' 3 'Morimoto, Y.' 4 'Miki, K.' 5 # _citation.id primary _citation.title 'Crystal structure of a symbiosis-related lectin from octocoral.' _citation.journal_abbrev Glycobiology _citation.journal_volume 25 _citation.page_first 1016 _citation.page_last 1023 _citation.year 2015 _citation.journal_id_ASTM ? _citation.country UK _citation.journal_id_ISSN 0959-6658 _citation.journal_id_CSD 9999 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 26022515 _citation.pdbx_database_id_DOI 10.1093/glycob/cwv033 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Kita, A.' 1 primary 'Jimbo, M.' 2 primary 'Sakai, R.' 3 primary 'Morimoto, Y.' 4 primary 'Miki, K.' 5 # _cell.entry_id 3WMP _cell.length_a 52.030 _cell.length_b 189.950 _cell.length_c 57.050 _cell.angle_alpha 90.00 _cell.angle_beta 110.55 _cell.angle_gamma 90.00 _cell.Z_PDB 12 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3WMP _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer nat 'Galactose-binding lectin' 10796.001 6 ? ? 'UNP RESIDUES 47-140' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 12 ? ? ? ? 3 non-polymer syn '(4S)-2-METHYL-2,4-PENTANEDIOL' 118.174 3 ? ? ? ? 4 non-polymer syn 'CHLORIDE ION' 35.453 12 ? ? ? ? 5 non-polymer syn 'SODIUM ION' 22.990 6 ? ? ? ? 6 non-polymer man N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE 221.208 1 ? ? ? ? 7 non-polymer man 'ALPHA D-GALACTOSE' 180.156 1 ? ? ? ? 8 water nat water 18.015 121 ? ? ? ? # _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 ;RLIHVSRCEMGTSTHRCWPRPCDTSSDEPISFWPPFENTPNVIVSFGMLDVDNSNNLRVNSSADDVTVGGFTLHYNSWYT TTVWNYKLIWIACD ; _entity_poly.pdbx_seq_one_letter_code_can ;RLIHVSRCEMGTSTHRCWPRPCDTSSDEPISFWPPFENTPNVIVSFGMLDVDNSNNLRVNSSADDVTVGGFTLHYNSWYT TTVWNYKLIWIACD ; _entity_poly.pdbx_strand_id A,B,C,D,E,F _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 ARG n 1 2 LEU n 1 3 ILE n 1 4 HIS n 1 5 VAL n 1 6 SER n 1 7 ARG n 1 8 CYS n 1 9 GLU n 1 10 MET n 1 11 GLY n 1 12 THR n 1 13 SER n 1 14 THR n 1 15 HIS n 1 16 ARG n 1 17 CYS n 1 18 TRP n 1 19 PRO n 1 20 ARG n 1 21 PRO n 1 22 CYS n 1 23 ASP n 1 24 THR n 1 25 SER n 1 26 SER n 1 27 ASP n 1 28 GLU n 1 29 PRO n 1 30 ILE n 1 31 SER n 1 32 PHE n 1 33 TRP n 1 34 PRO n 1 35 PRO n 1 36 PHE n 1 37 GLU n 1 38 ASN n 1 39 THR n 1 40 PRO n 1 41 ASN n 1 42 VAL n 1 43 ILE n 1 44 VAL n 1 45 SER n 1 46 PHE n 1 47 GLY n 1 48 MET n 1 49 LEU n 1 50 ASP n 1 51 VAL n 1 52 ASP n 1 53 ASN n 1 54 SER n 1 55 ASN n 1 56 ASN n 1 57 LEU n 1 58 ARG n 1 59 VAL n 1 60 ASN n 1 61 SER n 1 62 SER n 1 63 ALA n 1 64 ASP n 1 65 ASP n 1 66 VAL n 1 67 THR n 1 68 VAL n 1 69 GLY n 1 70 GLY n 1 71 PHE n 1 72 THR n 1 73 LEU n 1 74 HIS n 1 75 TYR n 1 76 ASN n 1 77 SER n 1 78 TRP n 1 79 TYR n 1 80 THR n 1 81 THR n 1 82 THR n 1 83 VAL n 1 84 TRP n 1 85 ASN n 1 86 TYR n 1 87 LYS n 1 88 LEU n 1 89 ILE n 1 90 TRP n 1 91 ILE n 1 92 ALA n 1 93 CYS n 1 94 ASP n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name ? _entity_src_nat.pdbx_organism_scientific 'Sinularia lochmodes' _entity_src_nat.pdbx_ncbi_taxonomy_id 301888 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code A4CYJ6_9CNID _struct_ref.pdbx_db_accession A4CYJ6 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;RLIHVSRCEMGTSTHRCWPRPCDTSSDEPISFWPPFENTPNVIVSFGMLDVDNSNNLRVNSSADDVTVGGFTLHYNSWYT TTVWNYKLIWIACD ; _struct_ref.pdbx_align_begin 47 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3WMP A 1 ? 94 ? A4CYJ6 47 ? 140 ? 1 94 2 1 3WMP B 1 ? 94 ? A4CYJ6 47 ? 140 ? 1 94 3 1 3WMP C 1 ? 94 ? A4CYJ6 47 ? 140 ? 1 94 4 1 3WMP D 1 ? 94 ? A4CYJ6 47 ? 140 ? 1 94 5 1 3WMP E 1 ? 94 ? A4CYJ6 47 ? 140 ? 1 94 6 1 3WMP F 1 ? 94 ? A4CYJ6 47 ? 140 ? 1 94 # 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 A2G saccharide . N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE ? 'C8 H15 N O6' 221.208 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 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLA D-saccharide . 'ALPHA D-GALACTOSE' ? 'C6 H12 O6' 180.156 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 MPD non-polymer . '(4S)-2-METHYL-2,4-PENTANEDIOL' ? 'C6 H14 O2' 118.174 NA non-polymer . 'SODIUM ION' ? 'Na 1' 22.990 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.entry_id 3WMP _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 4.08 _exptl_crystal.density_percent_sol 69.82 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 6.5 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details 'MPD, calcium formate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K' # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 270' _diffrn_detector.pdbx_collection_date 2008-06-15 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'SI(111)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0000 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'PHOTON FACTORY BEAMLINE BL-17A' _diffrn_source.pdbx_synchrotron_site 'Photon Factory' _diffrn_source.pdbx_synchrotron_beamline BL-17A _diffrn_source.pdbx_wavelength 1.0000 _diffrn_source.pdbx_wavelength_list ? # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 3WMP _reflns.observed_criterion_sigma_I 0.000 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 100.000 _reflns.d_resolution_high 2.000 _reflns.number_obs 69338 _reflns.number_all ? _reflns.percent_possible_obs 99.4 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 2.00 _reflns_shell.d_res_low 2.03 _reflns_shell.percent_possible_all 98.8 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy ? _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 3WMP _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 68817 _refine.ls_number_reflns_all 68817 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 2.000 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 94.98 _refine.ls_d_res_high 2.00 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs 0.251 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.251 _refine.ls_R_factor_R_free 0.271 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 3505 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model 2CCV _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'ENGH & HUBER' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 4529 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 237 _refine_hist.number_atoms_solvent 121 _refine_hist.number_atoms_total 4887 _refine_hist.d_res_high 2.00 _refine_hist.d_res_low 94.98 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function c_bond_d 0.008 ? ? ? 'X-RAY DIFFRACTION' ? c_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg 1.4 ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d 27.500 ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d 1.150 ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? c_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? c_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? c_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? c_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? # _pdbx_refine.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine.entry_id 3WMP _pdbx_refine.R_factor_all_no_cutoff ? _pdbx_refine.R_factor_obs_no_cutoff ? _pdbx_refine.free_R_factor_no_cutoff ? _pdbx_refine.free_R_error_no_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_no_cutoff ? _pdbx_refine.free_R_val_test_set_ct_no_cutoff ? _pdbx_refine.R_factor_all_4sig_cutoff ? _pdbx_refine.R_factor_obs_4sig_cutoff ? _pdbx_refine.free_R_factor_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_ct_4sig_cutoff ? _pdbx_refine.number_reflns_obs_4sig_cutoff ? # _struct.entry_id 3WMP _struct.title 'Crystal structure of SLL-2' _struct.pdbx_descriptor 'Galactose-binding lectin' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3WMP _struct_keywords.pdbx_keywords 'SUGAR BINDING PROTEIN' _struct_keywords.text 'six-stranded antiparallel-beta sandwich, galactose binding protein, SUGAR BINDING PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 1 ? D N N 1 ? E N N 1 ? F N N 1 ? G N N 2 ? H N N 2 ? I N N 3 ? J N N 4 ? K N N 4 ? L N N 5 ? M N N 2 ? N N N 2 ? O N N 4 ? P N N 4 ? Q N N 5 ? R N N 6 ? S N N 2 ? T N N 2 ? U N N 3 ? V N N 4 ? W N N 4 ? X N N 5 ? Y N N 2 ? Z N N 2 ? AA N N 3 ? BA N N 4 ? CA N N 4 ? DA N N 5 ? EA N N 2 ? FA N N 2 ? GA N N 4 ? HA N N 4 ? IA N N 5 ? JA N N 2 ? KA N N 2 ? LA N N 7 ? MA N N 4 ? NA N N 4 ? OA N N 5 ? PA N N 8 ? QA N N 8 ? RA N N 8 ? SA N N 8 ? TA N N 8 ? UA N N 8 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 8 SG ? ? ? 1_555 A CYS 93 SG ? ? A CYS 8 A CYS 93 1_555 ? ? ? ? ? ? ? 2.036 ? disulf2 disulf ? ? A CYS 17 SG ? ? ? 1_555 A CYS 22 SG ? ? A CYS 17 A CYS 22 1_555 ? ? ? ? ? ? ? 2.029 ? disulf3 disulf ? ? B CYS 8 SG ? ? ? 1_555 B CYS 93 SG ? ? B CYS 8 B CYS 93 1_555 ? ? ? ? ? ? ? 2.037 ? disulf4 disulf ? ? B CYS 17 SG ? ? ? 1_555 B CYS 22 SG ? ? B CYS 17 B CYS 22 1_555 ? ? ? ? ? ? ? 2.037 ? disulf5 disulf ? ? C CYS 8 SG ? ? ? 1_555 C CYS 93 SG ? ? C CYS 8 C CYS 93 1_555 ? ? ? ? ? ? ? 2.033 ? disulf6 disulf ? ? C CYS 17 SG ? ? ? 1_555 C CYS 22 SG ? ? C CYS 17 C CYS 22 1_555 ? ? ? ? ? ? ? 2.030 ? disulf7 disulf ? ? D CYS 8 SG ? ? ? 1_555 D CYS 93 SG ? ? D CYS 8 D CYS 93 1_555 ? ? ? ? ? ? ? 2.035 ? disulf8 disulf ? ? D CYS 17 SG ? ? ? 1_555 D CYS 22 SG ? ? D CYS 17 D CYS 22 1_555 ? ? ? ? ? ? ? 2.029 ? disulf9 disulf ? ? E CYS 8 SG ? ? ? 1_555 E CYS 93 SG ? ? E CYS 8 E CYS 93 1_555 ? ? ? ? ? ? ? 2.042 ? disulf10 disulf ? ? E CYS 17 SG ? ? ? 1_555 E CYS 22 SG ? ? E CYS 17 E CYS 22 1_555 ? ? ? ? ? ? ? 2.030 ? disulf11 disulf ? ? F CYS 8 SG ? ? ? 1_555 F CYS 93 SG ? ? F CYS 8 F CYS 93 1_555 ? ? ? ? ? ? ? 2.040 ? disulf12 disulf ? ? F CYS 17 SG ? ? ? 1_555 F CYS 22 SG ? ? F CYS 17 F CYS 22 1_555 ? ? ? ? ? ? ? 2.027 ? covale1 covale ? ? M NAG . O4 ? ? ? 1_555 N NAG . C1 ? ? B NAG 101 B NAG 102 1_555 ? ? ? ? ? ? ? 1.383 ? covale2 covale ? ? EA NAG . O4 ? ? ? 1_555 FA NAG . C1 ? ? E NAG 101 E NAG 102 1_555 ? ? ? ? ? ? ? 1.386 ? covale3 covale ? ? JA NAG . O4 ? ? ? 1_555 KA NAG . C1 ? ? F NAG 101 F NAG 102 1_555 ? ? ? ? ? ? ? 1.387 ? covale4 covale ? ? S NAG . O4 ? ? ? 1_555 T NAG . C1 ? ? C NAG 102 C NAG 103 1_555 ? ? ? ? ? ? ? 1.390 ? covale5 covale ? ? Y NAG . O4 ? ? ? 1_555 Z NAG . C1 ? ? D NAG 101 D NAG 102 1_555 ? ? ? ? ? ? ? 1.390 ? covale6 covale ? ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? A NAG 101 A NAG 102 1_555 ? ? ? ? ? ? ? 1.390 ? covale7 covale ? ? A ASN 60 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 60 A NAG 101 1_555 ? ? ? ? ? ? ? 1.460 ? covale8 covale ? ? F ASN 60 ND2 ? ? ? 1_555 JA NAG . C1 ? ? F ASN 60 F NAG 101 1_555 ? ? ? ? ? ? ? 1.462 ? covale9 covale ? ? E ASN 60 ND2 ? ? ? 1_555 EA NAG . C1 ? ? E ASN 60 E NAG 101 1_555 ? ? ? ? ? ? ? 1.470 ? covale10 covale ? ? B ASN 60 ND2 ? ? ? 1_555 M NAG . C1 ? ? B ASN 60 B NAG 101 1_555 ? ? ? ? ? ? ? 1.471 ? covale11 covale ? ? D ASN 60 ND2 ? ? ? 1_555 Y NAG . C1 ? ? D ASN 60 D NAG 101 1_555 ? ? ? ? ? ? ? 1.478 ? covale12 covale ? ? C ASN 60 ND2 ? ? ? 1_555 S NAG . C1 ? ? C ASN 60 C NAG 102 1_555 ? ? ? ? ? ? ? 1.495 ? metalc1 metalc ? ? X NA . NA ? ? ? 1_555 RA HOH . O ? ? C NA 107 C HOH 220 1_555 ? ? ? ? ? ? ? 3.006 ? metalc2 metalc ? ? OA NA . NA ? ? ? 1_555 UA HOH . O ? ? F NA 106 F HOH 219 1_555 ? ? ? ? ? ? ? 3.135 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 TRP 18 A . ? TRP 18 A PRO 19 A ? PRO 19 A 1 1.58 2 TRP 33 A . ? TRP 33 A PRO 34 A ? PRO 34 A 1 -1.89 3 TRP 18 B . ? TRP 18 B PRO 19 B ? PRO 19 B 1 0.31 4 TRP 33 B . ? TRP 33 B PRO 34 B ? PRO 34 B 1 -0.76 5 TRP 18 C . ? TRP 18 C PRO 19 C ? PRO 19 C 1 1.11 6 TRP 33 C . ? TRP 33 C PRO 34 C ? PRO 34 C 1 -2.14 7 TRP 18 D . ? TRP 18 D PRO 19 D ? PRO 19 D 1 0.02 8 TRP 33 D . ? TRP 33 D PRO 34 D ? PRO 34 D 1 -0.77 9 TRP 18 E . ? TRP 18 E PRO 19 E ? PRO 19 E 1 1.50 10 TRP 33 E . ? TRP 33 E PRO 34 E ? PRO 34 E 1 -0.05 11 TRP 18 F . ? TRP 18 F PRO 19 F ? PRO 19 F 1 1.34 12 TRP 33 F . ? TRP 33 F PRO 34 F ? PRO 34 F 1 -0.66 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 6 ? C ? 6 ? D ? 2 ? E ? 6 ? F ? 2 ? G ? 6 ? H ? 6 ? I ? 6 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? anti-parallel B 5 6 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel D 1 2 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel E 4 5 ? anti-parallel E 5 6 ? anti-parallel F 1 2 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel G 4 5 ? anti-parallel G 5 6 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel H 4 5 ? anti-parallel H 5 6 ? anti-parallel I 1 2 ? anti-parallel I 2 3 ? anti-parallel I 3 4 ? anti-parallel I 4 5 ? anti-parallel I 5 6 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 LEU A 2 ? HIS A 4 ? LEU A 2 HIS A 4 A 2 LEU D 2 ? HIS D 4 ? LEU D 2 HIS D 4 B 1 CYS A 8 ? ARG A 16 ? CYS A 8 ARG A 16 B 2 VAL A 83 ? CYS A 93 ? VAL A 83 CYS A 93 B 3 ASN A 41 ? VAL A 51 ? ASN A 41 VAL A 51 B 4 LEU C 57 ? THR C 67 ? LEU C 57 THR C 67 B 5 GLY C 70 ? ASN C 76 ? GLY C 70 ASN C 76 B 6 SER C 25 ? SER C 31 ? SER C 25 SER C 31 C 1 SER A 25 ? SER A 31 ? SER A 25 SER A 31 C 2 GLY A 70 ? ASN A 76 ? GLY A 70 ASN A 76 C 3 LEU A 57 ? ASP A 64 ? LEU A 57 ASP A 64 C 4 ASN B 41 ? VAL B 51 ? ASN B 41 VAL B 51 C 5 VAL B 83 ? CYS B 93 ? VAL B 83 CYS B 93 C 6 CYS B 8 ? ARG B 16 ? CYS B 8 ARG B 16 D 1 LEU B 2 ? HIS B 4 ? LEU B 2 HIS B 4 D 2 LEU E 2 ? HIS E 4 ? LEU E 2 HIS E 4 E 1 SER B 25 ? SER B 31 ? SER B 25 SER B 31 E 2 GLY B 70 ? ASN B 76 ? GLY B 70 ASN B 76 E 3 LEU B 57 ? THR B 67 ? LEU B 57 THR B 67 E 4 ASN C 41 ? VAL C 51 ? ASN C 41 VAL C 51 E 5 VAL C 83 ? CYS C 93 ? VAL C 83 CYS C 93 E 6 CYS C 8 ? ARG C 16 ? CYS C 8 ARG C 16 F 1 LEU C 2 ? HIS C 4 ? LEU C 2 HIS C 4 F 2 LEU F 2 ? HIS F 4 ? LEU F 2 HIS F 4 G 1 CYS D 8 ? ARG D 16 ? CYS D 8 ARG D 16 G 2 VAL D 83 ? CYS D 93 ? VAL D 83 CYS D 93 G 3 ASN D 41 ? VAL D 51 ? ASN D 41 VAL D 51 G 4 LEU E 57 ? ASP E 64 ? LEU E 57 ASP E 64 G 5 GLY E 70 ? ASN E 76 ? GLY E 70 ASN E 76 G 6 SER E 25 ? SER E 31 ? SER E 25 SER E 31 H 1 SER D 25 ? SER D 31 ? SER D 25 SER D 31 H 2 GLY D 70 ? ASN D 76 ? GLY D 70 ASN D 76 H 3 LEU D 57 ? THR D 67 ? LEU D 57 THR D 67 H 4 ASN F 41 ? VAL F 51 ? ASN F 41 VAL F 51 H 5 VAL F 83 ? CYS F 93 ? VAL F 83 CYS F 93 H 6 CYS F 8 ? ARG F 16 ? CYS F 8 ARG F 16 I 1 CYS E 8 ? ARG E 16 ? CYS E 8 ARG E 16 I 2 VAL E 83 ? CYS E 93 ? VAL E 83 CYS E 93 I 3 ASN E 41 ? VAL E 51 ? ASN E 41 VAL E 51 I 4 LEU F 57 ? THR F 67 ? LEU F 57 THR F 67 I 5 GLY F 70 ? ASN F 76 ? GLY F 70 ASN F 76 I 6 SER F 25 ? SER F 31 ? SER F 25 SER F 31 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ILE A 3 ? N ILE A 3 O ILE D 3 ? O ILE D 3 B 1 2 N GLU A 9 ? N GLU A 9 O ALA A 92 ? O ALA A 92 B 2 3 O LYS A 87 ? O LYS A 87 N GLY A 47 ? N GLY A 47 B 3 4 N LEU A 49 ? N LEU A 49 O VAL C 59 ? O VAL C 59 B 4 5 N THR C 67 ? N THR C 67 O GLY C 70 ? O GLY C 70 B 5 6 O PHE C 71 ? O PHE C 71 N ILE C 30 ? N ILE C 30 C 1 2 N ILE A 30 ? N ILE A 30 O PHE A 71 ? O PHE A 71 C 2 3 O THR A 72 ? O THR A 72 N ASP A 64 ? N ASP A 64 C 3 4 N VAL A 59 ? N VAL A 59 O LEU B 49 ? O LEU B 49 C 4 5 N GLY B 47 ? N GLY B 47 O LYS B 87 ? O LYS B 87 C 5 6 O TYR B 86 ? O TYR B 86 N HIS B 15 ? N HIS B 15 D 1 2 N ILE B 3 ? N ILE B 3 O ILE E 3 ? O ILE E 3 E 1 2 N ILE B 30 ? N ILE B 30 O PHE B 71 ? O PHE B 71 E 2 3 O GLY B 70 ? O GLY B 70 N THR B 67 ? N THR B 67 E 3 4 N VAL B 59 ? N VAL B 59 O LEU C 49 ? O LEU C 49 E 4 5 N GLY C 47 ? N GLY C 47 O LYS C 87 ? O LYS C 87 E 5 6 O ALA C 92 ? O ALA C 92 N GLU C 9 ? N GLU C 9 F 1 2 N ILE C 3 ? N ILE C 3 O ILE F 3 ? O ILE F 3 G 1 2 N GLU D 9 ? N GLU D 9 O ALA D 92 ? O ALA D 92 G 2 3 O TRP D 84 ? O TRP D 84 N ASP D 50 ? N ASP D 50 G 3 4 N LEU D 49 ? N LEU D 49 O VAL E 59 ? O VAL E 59 G 4 5 N ASP E 64 ? N ASP E 64 O THR E 72 ? O THR E 72 G 5 6 O LEU E 73 ? O LEU E 73 N GLU E 28 ? N GLU E 28 H 1 2 N ILE D 30 ? N ILE D 30 O PHE D 71 ? O PHE D 71 H 2 3 O GLY D 70 ? O GLY D 70 N THR D 67 ? N THR D 67 H 3 4 N VAL D 59 ? N VAL D 59 O LEU F 49 ? O LEU F 49 H 4 5 N ASP F 50 ? N ASP F 50 O TRP F 84 ? O TRP F 84 H 5 6 O TYR F 86 ? O TYR F 86 N HIS F 15 ? N HIS F 15 I 1 2 N GLU E 9 ? N GLU E 9 O ALA E 92 ? O ALA E 92 I 2 3 O TRP E 84 ? O TRP E 84 N ASP E 50 ? N ASP E 50 I 3 4 N LEU E 49 ? N LEU E 49 O VAL F 59 ? O VAL F 59 I 4 5 N THR F 67 ? N THR F 67 O GLY F 70 ? O GLY F 70 I 5 6 O PHE F 71 ? O PHE F 71 N ILE F 30 ? N ILE F 30 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MPD A 103' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE CL A 104' AC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE CL A 105' AC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NA A 106' AC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE CL B 103' AC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE CL B 104' AC7 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE A2G C 101' AC8 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NA B 105' AC9 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MPD C 104' BC1 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE CL C 105' BC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE CL C 106' BC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NA C 107' BC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE MPD D 103' BC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE CL D 104' BC6 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE CL D 105' BC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NA D 106' BC8 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE CL E 103' BC9 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE CL E 104' CC1 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NA E 105' CC2 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE GLA F 103' CC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE CL F 104' CC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE CL F 105' CC5 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NA F 106' CC6 Software ? ? ? ? 7 'BINDING SITE FOR CHAIN A OF SUGAR BOUND TO ASN A 60 RESIDUES 101 TO 102' CC7 Software ? ? ? ? 8 'BINDING SITE FOR CHAIN B OF SUGAR BOUND TO ASN B 60 RESIDUES 101 TO 102' CC8 Software ? ? ? ? 8 'BINDING SITE FOR CHAIN C OF SUGAR BOUND TO ASN C 60 RESIDUES 102 TO 103' CC9 Software ? ? ? ? 8 'BINDING SITE FOR CHAIN D OF SUGAR BOUND TO ASN D 60 RESIDUES 101 TO 102' DC1 Software ? ? ? ? 8 'BINDING SITE FOR CHAIN E OF SUGAR BOUND TO ASN E 60 RESIDUES 101 TO 102' DC2 Software ? ? ? ? 8 'BINDING SITE FOR CHAIN F OF SUGAR BOUND TO ASN F 60 RESIDUES 101 TO 102' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 ASN A 56 ? ASN A 56 . ? 1_555 ? 2 AC1 6 ARG A 58 ? ARG A 58 . ? 1_555 ? 3 AC1 6 TRP A 78 ? TRP A 78 . ? 1_555 ? 4 AC1 6 TRP B 18 ? TRP B 18 . ? 1_555 ? 5 AC1 6 ASP B 50 ? ASP B 50 . ? 1_555 ? 6 AC1 6 TRP B 84 ? TRP B 84 . ? 1_555 ? 7 AC2 4 ASN A 55 ? ASN A 55 . ? 1_555 ? 8 AC2 4 ASN A 56 ? ASN A 56 . ? 1_555 ? 9 AC2 4 ARG A 58 ? ARG A 58 . ? 1_555 ? 10 AC2 4 THR A 80 ? THR A 80 . ? 1_555 ? 11 AC3 2 ARG A 16 ? ARG A 16 . ? 1_555 ? 12 AC3 2 NAG S . ? NAG C 102 . ? 1_555 ? 13 AC4 2 HIS A 15 ? HIS A 15 . ? 1_555 ? 14 AC4 2 CYS A 17 ? CYS A 17 . ? 1_555 ? 15 AC5 4 ASN B 55 ? ASN B 55 . ? 1_555 ? 16 AC5 4 ASN B 56 ? ASN B 56 . ? 1_555 ? 17 AC5 4 ARG B 58 ? ARG B 58 . ? 1_555 ? 18 AC5 4 THR B 80 ? THR B 80 . ? 1_555 ? 19 AC6 2 NAG G . ? NAG A 101 . ? 1_555 ? 20 AC6 2 ARG B 16 ? ARG B 16 . ? 1_555 ? 21 AC7 7 ASN B 56 ? ASN B 56 . ? 1_555 ? 22 AC7 7 ARG B 58 ? ARG B 58 . ? 1_555 ? 23 AC7 7 TRP B 78 ? TRP B 78 . ? 1_555 ? 24 AC7 7 TYR B 79 ? TYR B 79 . ? 1_555 ? 25 AC7 7 TRP C 18 ? TRP C 18 . ? 1_555 ? 26 AC7 7 ASP C 50 ? ASP C 50 . ? 1_555 ? 27 AC7 7 TRP C 84 ? TRP C 84 . ? 1_555 ? 28 AC8 2 HIS B 15 ? HIS B 15 . ? 1_555 ? 29 AC8 2 CYS B 17 ? CYS B 17 . ? 1_555 ? 30 AC9 6 TRP A 18 ? TRP A 18 . ? 1_555 ? 31 AC9 6 ASP A 50 ? ASP A 50 . ? 1_555 ? 32 AC9 6 TRP A 84 ? TRP A 84 . ? 1_555 ? 33 AC9 6 ASN C 56 ? ASN C 56 . ? 1_555 ? 34 AC9 6 ARG C 58 ? ARG C 58 . ? 1_555 ? 35 AC9 6 TRP C 78 ? TRP C 78 . ? 1_555 ? 36 BC1 4 ASN C 55 ? ASN C 55 . ? 1_555 ? 37 BC1 4 ASN C 56 ? ASN C 56 . ? 1_555 ? 38 BC1 4 ARG C 58 ? ARG C 58 . ? 1_555 ? 39 BC1 4 THR C 80 ? THR C 80 . ? 1_555 ? 40 BC2 2 NAG M . ? NAG B 101 . ? 1_555 ? 41 BC2 2 ARG C 16 ? ARG C 16 . ? 1_555 ? 42 BC3 2 ASP C 23 ? ASP C 23 . ? 1_555 ? 43 BC3 2 HOH RA . ? HOH C 220 . ? 1_555 ? 44 BC4 6 TRP D 18 ? TRP D 18 . ? 1_555 ? 45 BC4 6 ASP D 50 ? ASP D 50 . ? 1_555 ? 46 BC4 6 TRP D 84 ? TRP D 84 . ? 1_555 ? 47 BC4 6 ASN E 56 ? ASN E 56 . ? 1_555 ? 48 BC4 6 ARG E 58 ? ARG E 58 . ? 1_555 ? 49 BC4 6 TRP E 78 ? TRP E 78 . ? 1_555 ? 50 BC5 4 ASN D 55 ? ASN D 55 . ? 1_555 ? 51 BC5 4 ASN D 56 ? ASN D 56 . ? 1_555 ? 52 BC5 4 ARG D 58 ? ARG D 58 . ? 1_555 ? 53 BC5 4 THR D 80 ? THR D 80 . ? 1_555 ? 54 BC6 2 ARG D 16 ? ARG D 16 . ? 1_555 ? 55 BC6 2 NAG EA . ? NAG E 101 . ? 1_555 ? 56 BC7 2 HIS D 15 ? HIS D 15 . ? 1_555 ? 57 BC7 2 CYS D 17 ? CYS D 17 . ? 1_555 ? 58 BC8 4 ASN E 55 ? ASN E 55 . ? 1_555 ? 59 BC8 4 ASN E 56 ? ASN E 56 . ? 1_555 ? 60 BC8 4 ARG E 58 ? ARG E 58 . ? 1_555 ? 61 BC8 4 THR E 80 ? THR E 80 . ? 1_555 ? 62 BC9 3 ARG E 16 ? ARG E 16 . ? 1_555 ? 63 BC9 3 MET E 48 ? MET E 48 . ? 1_555 ? 64 BC9 3 NAG JA . ? NAG F 101 . ? 1_555 ? 65 CC1 2 CYS E 17 ? CYS E 17 . ? 1_555 ? 66 CC1 2 ASP E 23 ? ASP E 23 . ? 1_555 ? 67 CC2 7 ASN D 56 ? ASN D 56 . ? 1_555 ? 68 CC2 7 ARG D 58 ? ARG D 58 . ? 1_555 ? 69 CC2 7 TRP D 78 ? TRP D 78 . ? 1_555 ? 70 CC2 7 TYR D 79 ? TYR D 79 . ? 1_555 ? 71 CC2 7 TRP F 18 ? TRP F 18 . ? 1_555 ? 72 CC2 7 ASP F 50 ? ASP F 50 . ? 1_555 ? 73 CC2 7 TRP F 84 ? TRP F 84 . ? 1_555 ? 74 CC3 4 ASN F 55 ? ASN F 55 . ? 1_555 ? 75 CC3 4 ASN F 56 ? ASN F 56 . ? 1_555 ? 76 CC3 4 ARG F 58 ? ARG F 58 . ? 1_555 ? 77 CC3 4 THR F 80 ? THR F 80 . ? 1_555 ? 78 CC4 2 NAG Y . ? NAG D 101 . ? 1_555 ? 79 CC4 2 ARG F 16 ? ARG F 16 . ? 1_555 ? 80 CC5 2 CYS F 17 ? CYS F 17 . ? 1_555 ? 81 CC5 2 ASP F 23 ? ASP F 23 . ? 1_555 ? 82 CC6 7 ASN A 60 ? ASN A 60 . ? 1_555 ? 83 CC6 7 SER A 62 ? SER A 62 . ? 1_555 ? 84 CC6 7 ASP A 64 ? ASP A 64 . ? 1_555 ? 85 CC6 7 HIS A 74 ? HIS A 74 . ? 1_555 ? 86 CC6 7 ASN A 76 ? ASN A 76 . ? 1_555 ? 87 CC6 7 ARG B 16 ? ARG B 16 . ? 1_555 ? 88 CC6 7 CL P . ? CL B 104 . ? 1_555 ? 89 CC7 8 ASN B 60 ? ASN B 60 . ? 1_555 ? 90 CC7 8 SER B 62 ? SER B 62 . ? 1_555 ? 91 CC7 8 ASP B 64 ? ASP B 64 . ? 1_555 ? 92 CC7 8 HIS B 74 ? HIS B 74 . ? 1_555 ? 93 CC7 8 ASN B 76 ? ASN B 76 . ? 1_555 ? 94 CC7 8 TRP B 78 ? TRP B 78 . ? 1_555 ? 95 CC7 8 ARG C 16 ? ARG C 16 . ? 1_555 ? 96 CC7 8 CL W . ? CL C 106 . ? 1_555 ? 97 CC8 8 ARG A 16 ? ARG A 16 . ? 1_555 ? 98 CC8 8 CL K . ? CL A 105 . ? 1_555 ? 99 CC8 8 ASN C 60 ? ASN C 60 . ? 1_555 ? 100 CC8 8 SER C 62 ? SER C 62 . ? 1_555 ? 101 CC8 8 ASP C 64 ? ASP C 64 . ? 1_555 ? 102 CC8 8 HIS C 74 ? HIS C 74 . ? 1_555 ? 103 CC8 8 ASN C 76 ? ASN C 76 . ? 1_555 ? 104 CC8 8 TRP C 78 ? TRP C 78 . ? 1_555 ? 105 CC9 8 ASN D 60 ? ASN D 60 . ? 1_555 ? 106 CC9 8 SER D 62 ? SER D 62 . ? 1_555 ? 107 CC9 8 ASP D 64 ? ASP D 64 . ? 1_555 ? 108 CC9 8 HIS D 74 ? HIS D 74 . ? 1_555 ? 109 CC9 8 ASN D 76 ? ASN D 76 . ? 1_555 ? 110 CC9 8 TRP D 78 ? TRP D 78 . ? 1_555 ? 111 CC9 8 ARG F 16 ? ARG F 16 . ? 1_555 ? 112 CC9 8 CL NA . ? CL F 105 . ? 1_555 ? 113 DC1 8 ARG D 16 ? ARG D 16 . ? 1_555 ? 114 DC1 8 CL CA . ? CL D 105 . ? 1_555 ? 115 DC1 8 ASN E 60 ? ASN E 60 . ? 1_555 ? 116 DC1 8 SER E 62 ? SER E 62 . ? 1_555 ? 117 DC1 8 ASP E 64 ? ASP E 64 . ? 1_555 ? 118 DC1 8 HIS E 74 ? HIS E 74 . ? 1_555 ? 119 DC1 8 ASN E 76 ? ASN E 76 . ? 1_555 ? 120 DC1 8 TRP E 78 ? TRP E 78 . ? 1_555 ? 121 DC2 8 ARG E 16 ? ARG E 16 . ? 1_555 ? 122 DC2 8 CL HA . ? CL E 104 . ? 1_555 ? 123 DC2 8 ASN F 60 ? ASN F 60 . ? 1_555 ? 124 DC2 8 SER F 62 ? SER F 62 . ? 1_555 ? 125 DC2 8 ASP F 64 ? ASP F 64 . ? 1_555 ? 126 DC2 8 HIS F 74 ? HIS F 74 . ? 1_555 ? 127 DC2 8 ASN F 76 ? ASN F 76 . ? 1_555 ? 128 DC2 8 TRP F 78 ? TRP F 78 . ? 1_555 ? # _database_PDB_matrix.entry_id 3WMP _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 3WMP _atom_sites.fract_transf_matrix[1][1] 0.019220 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.007205 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.005265 _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] 0.018720 _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 CL N NA O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ARG A 1 1 ? 9.964 7.080 17.375 1.00 44.21 ? 1 ARG A N 1 ATOM 2 C CA . ARG A 1 1 ? 9.263 6.130 18.272 1.00 45.12 ? 1 ARG A CA 1 ATOM 3 C C . ARG A 1 1 ? 10.068 4.838 18.427 1.00 44.94 ? 1 ARG A C 1 ATOM 4 O O . ARG A 1 1 ? 10.957 4.544 17.626 1.00 45.18 ? 1 ARG A O 1 ATOM 5 C CB . ARG A 1 1 ? 7.859 5.832 17.722 1.00 45.25 ? 1 ARG A CB 1 ATOM 6 C CG . ARG A 1 1 ? 7.777 4.844 16.564 1.00 46.17 ? 1 ARG A CG 1 ATOM 7 C CD . ARG A 1 1 ? 6.317 4.499 16.285 1.00 48.73 ? 1 ARG A CD 1 ATOM 8 N NE . ARG A 1 1 ? 6.130 3.439 15.293 1.00 51.03 ? 1 ARG A NE 1 ATOM 9 C CZ . ARG A 1 1 ? 6.372 3.569 13.988 1.00 53.87 ? 1 ARG A CZ 1 ATOM 10 N NH1 . ARG A 1 1 ? 6.822 4.720 13.490 1.00 54.00 ? 1 ARG A NH1 1 ATOM 11 N NH2 . ARG A 1 1 ? 6.154 2.543 13.174 1.00 52.53 ? 1 ARG A NH2 1 ATOM 12 N N . LEU A 1 2 ? 9.772 4.089 19.482 1.00 44.31 ? 2 LEU A N 1 ATOM 13 C CA . LEU A 1 2 ? 10.448 2.829 19.730 1.00 45.17 ? 2 LEU A CA 1 ATOM 14 C C . LEU A 1 2 ? 9.718 1.648 19.102 1.00 45.65 ? 2 LEU A C 1 ATOM 15 O O . LEU A 1 2 ? 8.506 1.494 19.264 1.00 46.32 ? 2 LEU A O 1 ATOM 16 C CB . LEU A 1 2 ? 10.581 2.558 21.246 1.00 46.93 ? 2 LEU A CB 1 ATOM 17 C CG . LEU A 1 2 ? 11.722 3.239 22.020 1.00 47.60 ? 2 LEU A CG 1 ATOM 18 C CD1 . LEU A 1 2 ? 11.685 2.809 23.480 1.00 48.09 ? 2 LEU A CD1 1 ATOM 19 C CD2 . LEU A 1 2 ? 13.061 2.873 21.397 1.00 47.42 ? 2 LEU A CD2 1 ATOM 20 N N . ILE A 1 3 ? 10.456 0.836 18.354 1.00 45.46 ? 3 ILE A N 1 ATOM 21 C CA . ILE A 1 3 ? 9.893 -0.376 17.784 1.00 45.70 ? 3 ILE A CA 1 ATOM 22 C C . ILE A 1 3 ? 10.874 -1.547 17.955 1.00 46.55 ? 3 ILE A C 1 ATOM 23 O O . ILE A 1 3 ? 12.091 -1.348 18.055 1.00 45.40 ? 3 ILE A O 1 ATOM 24 C CB . ILE A 1 3 ? 9.562 -0.242 16.276 1.00 45.93 ? 3 ILE A CB 1 ATOM 25 C CG1 . ILE A 1 3 ? 10.823 0.101 15.485 1.00 46.62 ? 3 ILE A CG1 1 ATOM 26 C CG2 . ILE A 1 3 ? 8.496 0.826 16.068 1.00 46.95 ? 3 ILE A CG2 1 ATOM 27 C CD1 . ILE A 1 3 ? 10.646 -0.048 13.989 1.00 47.68 ? 3 ILE A CD1 1 ATOM 28 N N . HIS A 1 4 ? 10.330 -2.759 18.012 1.00 47.11 ? 4 HIS A N 1 ATOM 29 C CA . HIS A 1 4 ? 11.144 -3.959 18.114 1.00 47.88 ? 4 HIS A CA 1 ATOM 30 C C . HIS A 1 4 ? 11.318 -4.574 16.722 1.00 47.61 ? 4 HIS A C 1 ATOM 31 O O . HIS A 1 4 ? 10.333 -4.896 16.061 1.00 47.50 ? 4 HIS A O 1 ATOM 32 C CB . HIS A 1 4 ? 10.457 -5.016 18.997 1.00 52.19 ? 4 HIS A CB 1 ATOM 33 C CG . HIS A 1 4 ? 10.319 -4.619 20.435 1.00 55.60 ? 4 HIS A CG 1 ATOM 34 N ND1 . HIS A 1 4 ? 11.195 -5.045 21.411 1.00 58.29 ? 4 HIS A ND1 1 ATOM 35 C CD2 . HIS A 1 4 ? 9.403 -3.843 21.064 1.00 56.98 ? 4 HIS A CD2 1 ATOM 36 C CE1 . HIS A 1 4 ? 10.819 -4.556 22.581 1.00 59.28 ? 4 HIS A CE1 1 ATOM 37 N NE2 . HIS A 1 4 ? 9.734 -3.824 22.397 1.00 58.62 ? 4 HIS A NE2 1 ATOM 38 N N . VAL A 1 5 ? 12.558 -4.705 16.260 1.00 46.85 ? 5 VAL A N 1 ATOM 39 C CA . VAL A 1 5 ? 12.805 -5.376 14.987 1.00 46.52 ? 5 VAL A CA 1 ATOM 40 C C . VAL A 1 5 ? 14.031 -6.278 15.097 1.00 46.17 ? 5 VAL A C 1 ATOM 41 O O . VAL A 1 5 ? 14.874 -6.086 15.979 1.00 47.35 ? 5 VAL A O 1 ATOM 42 C CB . VAL A 1 5 ? 13.042 -4.408 13.791 1.00 47.18 ? 5 VAL A CB 1 ATOM 43 C CG1 . VAL A 1 5 ? 11.798 -3.566 13.538 1.00 45.99 ? 5 VAL A CG1 1 ATOM 44 C CG2 . VAL A 1 5 ? 14.269 -3.551 14.040 1.00 46.60 ? 5 VAL A CG2 1 ATOM 45 N N . SER A 1 6 ? 14.124 -7.262 14.212 1.00 43.19 ? 6 SER A N 1 ATOM 46 C CA . SER A 1 6 ? 15.263 -8.135 14.218 1.00 42.23 ? 6 SER A CA 1 ATOM 47 C C . SER A 1 6 ? 16.022 -8.157 12.902 1.00 41.52 ? 6 SER A C 1 ATOM 48 O O . SER A 1 6 ? 15.442 -7.958 11.841 1.00 40.21 ? 6 SER A O 1 ATOM 49 C CB . SER A 1 6 ? 14.824 -9.608 14.476 1.00 41.43 ? 6 SER A CB 1 ATOM 50 O OG . SER A 1 6 ? 14.413 -9.801 15.817 1.00 41.77 ? 6 SER A OG 1 ATOM 51 N N . ARG A 1 7 ? 17.338 -8.312 13.030 1.00 41.56 ? 7 ARG A N 1 ATOM 52 C CA . ARG A 1 7 ? 18.146 -8.648 11.863 1.00 40.55 ? 7 ARG A CA 1 ATOM 53 C C . ARG A 1 7 ? 18.451 -10.173 12.043 1.00 39.82 ? 7 ARG A C 1 ATOM 54 O O . ARG A 1 7 ? 18.790 -10.633 13.141 1.00 38.55 ? 7 ARG A O 1 ATOM 55 C CB . ARG A 1 7 ? 19.472 -7.926 11.831 1.00 42.24 ? 7 ARG A CB 1 ATOM 56 C CG . ARG A 1 7 ? 20.459 -8.501 10.845 1.00 43.26 ? 7 ARG A CG 1 ATOM 57 C CD . ARG A 1 7 ? 21.839 -8.048 11.235 1.00 45.08 ? 7 ARG A CD 1 ATOM 58 N NE . ARG A 1 7 ? 22.882 -8.659 10.426 1.00 46.63 ? 7 ARG A NE 1 ATOM 59 C CZ . ARG A 1 7 ? 24.175 -8.461 10.642 1.00 48.60 ? 7 ARG A CZ 1 ATOM 60 N NH1 . ARG A 1 7 ? 24.560 -7.674 11.637 1.00 48.98 ? 7 ARG A NH1 1 ATOM 61 N NH2 . ARG A 1 7 ? 25.080 -9.047 9.868 1.00 48.14 ? 7 ARG A NH2 1 ATOM 62 N N . CYS A 1 8 ? 18.321 -10.936 10.962 1.00 39.88 ? 8 CYS A N 1 ATOM 63 C CA . CYS A 1 8 ? 18.643 -12.347 11.008 1.00 39.63 ? 8 CYS A CA 1 ATOM 64 C C . CYS A 1 8 ? 19.691 -12.747 9.980 1.00 40.92 ? 8 CYS A C 1 ATOM 65 O O . CYS A 1 8 ? 19.793 -12.162 8.899 1.00 41.94 ? 8 CYS A O 1 ATOM 66 C CB . CYS A 1 8 ? 17.407 -13.210 10.748 1.00 38.97 ? 8 CYS A CB 1 ATOM 67 S SG . CYS A 1 8 ? 16.081 -13.111 12.014 1.00 38.69 ? 8 CYS A SG 1 ATOM 68 N N . GLU A 1 9 ? 20.501 -13.723 10.375 1.00 41.33 ? 9 GLU A N 1 ATOM 69 C CA . GLU A 1 9 ? 21.453 -14.344 9.468 1.00 41.99 ? 9 GLU A CA 1 ATOM 70 C C . GLU A 1 9 ? 21.214 -15.853 9.618 1.00 41.00 ? 9 GLU A C 1 ATOM 71 O O . GLU A 1 9 ? 20.782 -16.325 10.664 1.00 40.23 ? 9 GLU A O 1 ATOM 72 C CB . GLU A 1 9 ? 22.898 -14.008 9.812 1.00 42.54 ? 9 GLU A CB 1 ATOM 73 C CG . GLU A 1 9 ? 23.194 -12.519 9.784 1.00 46.11 ? 9 GLU A CG 1 ATOM 74 C CD . GLU A 1 9 ? 23.026 -11.903 8.404 1.00 47.66 ? 9 GLU A CD 1 ATOM 75 O OE1 . GLU A 1 9 ? 22.880 -12.656 7.418 1.00 49.73 ? 9 GLU A OE1 1 ATOM 76 O OE2 . GLU A 1 9 ? 23.049 -10.657 8.303 1.00 50.49 ? 9 GLU A OE2 1 ATOM 77 N N . MET A 1 10 ? 21.465 -16.613 8.567 1.00 41.23 ? 10 MET A N 1 ATOM 78 C CA . MET A 1 10 ? 21.271 -18.040 8.672 1.00 42.67 ? 10 MET A CA 1 ATOM 79 C C . MET A 1 10 ? 22.226 -18.759 7.743 1.00 43.82 ? 10 MET A C 1 ATOM 80 O O . MET A 1 10 ? 22.841 -18.139 6.878 1.00 44.36 ? 10 MET A O 1 ATOM 81 C CB . MET A 1 10 ? 19.822 -18.405 8.357 1.00 42.54 ? 10 MET A CB 1 ATOM 82 C CG . MET A 1 10 ? 19.479 -18.364 6.901 1.00 43.03 ? 10 MET A CG 1 ATOM 83 S SD . MET A 1 10 ? 17.710 -18.645 6.631 1.00 46.98 ? 10 MET A SD 1 ATOM 84 C CE . MET A 1 10 ? 17.079 -17.042 7.074 1.00 42.82 ? 10 MET A CE 1 ATOM 85 N N . GLY A 1 11 ? 22.363 -20.067 7.939 1.00 44.33 ? 11 GLY A N 1 ATOM 86 C CA . GLY A 1 11 ? 23.262 -20.835 7.107 1.00 44.30 ? 11 GLY A CA 1 ATOM 87 C C . GLY A 1 11 ? 23.173 -22.332 7.313 1.00 45.88 ? 11 GLY A C 1 ATOM 88 O O . GLY A 1 11 ? 22.460 -22.819 8.197 1.00 46.27 ? 11 GLY A O 1 ATOM 89 N N . THR A 1 12 ? 23.875 -23.071 6.460 1.00 46.22 ? 12 THR A N 1 ATOM 90 C CA . THR A 1 12 ? 23.929 -24.516 6.584 1.00 47.73 ? 12 THR A CA 1 ATOM 91 C C . THR A 1 12 ? 25.385 -24.984 6.544 1.00 48.37 ? 12 THR A C 1 ATOM 92 O O . THR A 1 12 ? 26.280 -24.250 6.123 1.00 49.00 ? 12 THR A O 1 ATOM 93 C CB . THR A 1 12 ? 23.164 -25.241 5.456 1.00 48.15 ? 12 THR A CB 1 ATOM 94 O OG1 . THR A 1 12 ? 23.850 -25.058 4.215 1.00 49.13 ? 12 THR A OG1 1 ATOM 95 C CG2 . THR A 1 12 ? 21.737 -24.699 5.339 1.00 47.52 ? 12 THR A CG2 1 ATOM 96 N N . SER A 1 13 ? 25.615 -26.202 7.019 1.00 48.29 ? 13 SER A N 1 ATOM 97 C CA . SER A 1 13 ? 26.948 -26.789 7.005 1.00 47.29 ? 13 SER A CA 1 ATOM 98 C C . SER A 1 13 ? 26.795 -28.289 6.764 1.00 47.34 ? 13 SER A C 1 ATOM 99 O O . SER A 1 13 ? 26.280 -29.028 7.611 1.00 46.42 ? 13 SER A O 1 ATOM 100 C CB . SER A 1 13 ? 27.676 -26.501 8.315 1.00 48.54 ? 13 SER A CB 1 ATOM 101 O OG . SER A 1 13 ? 29.020 -26.947 8.259 1.00 50.89 ? 13 SER A OG 1 ATOM 102 N N . THR A 1 14 ? 27.241 -28.725 5.586 1.00 46.86 ? 14 THR A N 1 ATOM 103 C CA . THR A 1 14 ? 27.121 -30.114 5.184 1.00 46.82 ? 14 THR A CA 1 ATOM 104 C C . THR A 1 14 ? 28.379 -30.919 5.427 1.00 48.23 ? 14 THR A C 1 ATOM 105 O O . THR A 1 14 ? 29.488 -30.485 5.108 1.00 47.81 ? 14 THR A O 1 ATOM 106 C CB . THR A 1 14 ? 26.745 -30.225 3.687 1.00 46.55 ? 14 THR A CB 1 ATOM 107 O OG1 . THR A 1 14 ? 25.521 -29.517 3.443 1.00 46.06 ? 14 THR A OG1 1 ATOM 108 C CG2 . THR A 1 14 ? 26.554 -31.684 3.288 1.00 45.47 ? 14 THR A CG2 1 ATOM 109 N N . HIS A 1 15 ? 28.177 -32.095 6.013 1.00 48.39 ? 15 HIS A N 1 ATOM 110 C CA . HIS A 1 15 ? 29.239 -33.027 6.313 1.00 48.82 ? 15 HIS A CA 1 ATOM 111 C C . HIS A 1 15 ? 28.965 -34.351 5.613 1.00 50.18 ? 15 HIS A C 1 ATOM 112 O O . HIS A 1 15 ? 28.110 -35.138 6.046 1.00 49.83 ? 15 HIS A O 1 ATOM 113 C CB . HIS A 1 15 ? 29.343 -33.257 7.827 1.00 47.22 ? 15 HIS A CB 1 ATOM 114 C CG . HIS A 1 15 ? 29.821 -32.058 8.585 1.00 46.71 ? 15 HIS A CG 1 ATOM 115 N ND1 . HIS A 1 15 ? 31.015 -32.040 9.275 1.00 46.23 ? 15 HIS A ND1 1 ATOM 116 C CD2 . HIS A 1 15 ? 29.271 -30.832 8.753 1.00 45.94 ? 15 HIS A CD2 1 ATOM 117 C CE1 . HIS A 1 15 ? 31.181 -30.854 9.834 1.00 44.89 ? 15 HIS A CE1 1 ATOM 118 N NE2 . HIS A 1 15 ? 30.137 -30.103 9.532 1.00 46.31 ? 15 HIS A NE2 1 ATOM 119 N N . ARG A 1 16 ? 29.661 -34.551 4.491 1.00 51.20 ? 16 ARG A N 1 ATOM 120 C CA . ARG A 1 16 ? 29.587 -35.809 3.734 1.00 52.78 ? 16 ARG A CA 1 ATOM 121 C C . ARG A 1 16 ? 30.810 -36.612 4.172 1.00 52.63 ? 16 ARG A C 1 ATOM 122 O O . ARG A 1 16 ? 31.930 -36.385 3.716 1.00 54.70 ? 16 ARG A O 1 ATOM 123 C CB . ARG A 1 16 ? 29.582 -35.551 2.233 1.00 54.09 ? 16 ARG A CB 1 ATOM 124 C CG . ARG A 1 16 ? 28.208 -35.119 1.738 1.00 57.47 ? 16 ARG A CG 1 ATOM 125 C CD . ARG A 1 16 ? 28.182 -34.756 0.260 1.00 60.27 ? 16 ARG A CD 1 ATOM 126 N NE . ARG A 1 16 ? 26.807 -34.661 -0.230 1.00 65.14 ? 16 ARG A NE 1 ATOM 127 C CZ . ARG A 1 16 ? 26.441 -34.844 -1.497 1.00 67.66 ? 16 ARG A CZ 1 ATOM 128 N NH1 . ARG A 1 16 ? 27.351 -35.137 -2.419 1.00 69.86 ? 16 ARG A NH1 1 ATOM 129 N NH2 . ARG A 1 16 ? 25.162 -34.745 -1.843 1.00 67.28 ? 16 ARG A NH2 1 ATOM 130 N N . CYS A 1 17 ? 30.558 -37.567 5.061 1.00 51.37 ? 17 CYS A N 1 ATOM 131 C CA . CYS A 1 17 ? 31.616 -38.350 5.675 1.00 51.14 ? 17 CYS A CA 1 ATOM 132 C C . CYS A 1 17 ? 31.832 -39.694 5.019 1.00 51.03 ? 17 CYS A C 1 ATOM 133 O O . CYS A 1 17 ? 32.968 -40.061 4.716 1.00 50.77 ? 17 CYS A O 1 ATOM 134 C CB . CYS A 1 17 ? 31.301 -38.531 7.162 1.00 50.25 ? 17 CYS A CB 1 ATOM 135 S SG . CYS A 1 17 ? 30.784 -37.029 8.027 1.00 53.66 ? 17 CYS A SG 1 ATOM 136 N N . TRP A 1 18 ? 30.735 -40.425 4.814 1.00 50.13 ? 18 TRP A N 1 ATOM 137 C CA . TRP A 1 18 ? 30.755 -41.741 4.178 1.00 49.01 ? 18 TRP A CA 1 ATOM 138 C C . TRP A 1 18 ? 31.592 -41.652 2.890 1.00 48.89 ? 18 TRP A C 1 ATOM 139 O O . TRP A 1 18 ? 31.472 -40.693 2.135 1.00 48.53 ? 18 TRP A O 1 ATOM 140 C CB . TRP A 1 18 ? 29.300 -42.156 3.842 1.00 47.76 ? 18 TRP A CB 1 ATOM 141 C CG . TRP A 1 18 ? 29.153 -43.539 3.279 1.00 46.09 ? 18 TRP A CG 1 ATOM 142 C CD1 . TRP A 1 18 ? 29.058 -44.709 3.974 1.00 45.49 ? 18 TRP A CD1 1 ATOM 143 C CD2 . TRP A 1 18 ? 29.087 -43.890 1.895 1.00 45.92 ? 18 TRP A CD2 1 ATOM 144 N NE1 . TRP A 1 18 ? 28.932 -45.766 3.108 1.00 44.81 ? 18 TRP A NE1 1 ATOM 145 C CE2 . TRP A 1 18 ? 28.948 -45.291 1.825 1.00 45.58 ? 18 TRP A CE2 1 ATOM 146 C CE3 . TRP A 1 18 ? 29.130 -43.153 0.704 1.00 47.54 ? 18 TRP A CE3 1 ATOM 147 C CZ2 . TRP A 1 18 ? 28.854 -45.974 0.611 1.00 48.11 ? 18 TRP A CZ2 1 ATOM 148 C CZ3 . TRP A 1 18 ? 29.036 -43.830 -0.501 1.00 49.09 ? 18 TRP A CZ3 1 ATOM 149 C CH2 . TRP A 1 18 ? 28.899 -45.228 -0.539 1.00 49.41 ? 18 TRP A CH2 1 ATOM 150 N N . PRO A 1 19 ? 32.367 -42.712 2.573 1.00 49.17 ? 19 PRO A N 1 ATOM 151 C CA . PRO A 1 19 ? 32.565 -44.015 3.225 1.00 49.71 ? 19 PRO A CA 1 ATOM 152 C C . PRO A 1 19 ? 33.206 -44.089 4.593 1.00 50.75 ? 19 PRO A C 1 ATOM 153 O O . PRO A 1 19 ? 33.368 -45.188 5.115 1.00 52.07 ? 19 PRO A O 1 ATOM 154 C CB . PRO A 1 19 ? 33.305 -44.846 2.195 1.00 49.93 ? 19 PRO A CB 1 ATOM 155 C CG . PRO A 1 19 ? 33.969 -43.868 1.326 1.00 47.71 ? 19 PRO A CG 1 ATOM 156 C CD . PRO A 1 19 ? 33.167 -42.612 1.335 1.00 48.47 ? 19 PRO A CD 1 ATOM 157 N N . ARG A 1 20 ? 33.653 -42.963 5.133 1.00 52.38 ? 20 ARG A N 1 ATOM 158 C CA . ARG A 1 20 ? 34.163 -42.976 6.501 1.00 55.93 ? 20 ARG A CA 1 ATOM 159 C C . ARG A 1 20 ? 33.054 -42.482 7.453 1.00 56.27 ? 20 ARG A C 1 ATOM 160 O O . ARG A 1 20 ? 32.138 -41.767 7.040 1.00 56.10 ? 20 ARG A O 1 ATOM 161 C CB . ARG A 1 20 ? 35.348 -42.002 6.687 1.00 59.20 ? 20 ARG A CB 1 ATOM 162 C CG . ARG A 1 20 ? 36.662 -42.460 6.069 1.00 65.45 ? 20 ARG A CG 1 ATOM 163 C CD . ARG A 1 20 ? 37.791 -41.468 6.348 1.00 71.09 ? 20 ARG A CD 1 ATOM 164 N NE . ARG A 1 20 ? 37.544 -40.165 5.732 1.00 75.92 ? 20 ARG A NE 1 ATOM 165 C CZ . ARG A 1 20 ? 37.129 -39.087 6.392 1.00 78.58 ? 20 ARG A CZ 1 ATOM 166 N NH1 . ARG A 1 20 ? 36.912 -39.146 7.701 1.00 79.71 ? 20 ARG A NH1 1 ATOM 167 N NH2 . ARG A 1 20 ? 36.925 -37.947 5.743 1.00 80.21 ? 20 ARG A NH2 1 ATOM 168 N N . PRO A 1 21 ? 33.074 -42.938 8.719 1.00 57.08 ? 21 PRO A N 1 ATOM 169 C CA . PRO A 1 21 ? 32.008 -42.447 9.604 1.00 56.35 ? 21 PRO A CA 1 ATOM 170 C C . PRO A 1 21 ? 32.429 -41.013 10.022 1.00 55.69 ? 21 PRO A C 1 ATOM 171 O O . PRO A 1 21 ? 33.619 -40.673 10.018 1.00 55.91 ? 21 PRO A O 1 ATOM 172 C CB . PRO A 1 21 ? 32.040 -43.403 10.781 1.00 56.73 ? 21 PRO A CB 1 ATOM 173 C CG . PRO A 1 21 ? 33.450 -43.877 10.830 1.00 59.53 ? 21 PRO A CG 1 ATOM 174 C CD . PRO A 1 21 ? 33.897 -43.972 9.379 1.00 58.71 ? 21 PRO A CD 1 ATOM 175 N N . CYS A 1 22 ? 31.458 -40.179 10.387 1.00 54.21 ? 22 CYS A N 1 ATOM 176 C CA . CYS A 1 22 ? 31.767 -38.811 10.762 1.00 52.11 ? 22 CYS A CA 1 ATOM 177 C C . CYS A 1 22 ? 32.509 -38.761 12.080 1.00 51.64 ? 22 CYS A C 1 ATOM 178 O O . CYS A 1 22 ? 32.443 -39.702 12.870 1.00 49.05 ? 22 CYS A O 1 ATOM 179 C CB . CYS A 1 22 ? 30.470 -37.995 10.878 1.00 51.80 ? 22 CYS A CB 1 ATOM 180 S SG . CYS A 1 22 ? 29.508 -37.903 9.340 1.00 50.23 ? 22 CYS A SG 1 ATOM 181 N N . ASP A 1 23 ? 33.257 -37.680 12.289 1.00 53.16 ? 23 ASP A N 1 ATOM 182 C CA . ASP A 1 23 ? 33.953 -37.482 13.555 1.00 54.33 ? 23 ASP A CA 1 ATOM 183 C C . ASP A 1 23 ? 32.899 -37.405 14.661 1.00 54.64 ? 23 ASP A C 1 ATOM 184 O O . ASP A 1 23 ? 31.758 -36.997 14.422 1.00 54.34 ? 23 ASP A O 1 ATOM 185 C CB . ASP A 1 23 ? 34.769 -36.187 13.532 1.00 56.70 ? 23 ASP A CB 1 ATOM 186 C CG . ASP A 1 23 ? 36.015 -36.310 12.679 1.00 61.10 ? 23 ASP A CG 1 ATOM 187 O OD1 . ASP A 1 23 ? 36.832 -35.364 12.672 1.00 63.15 ? 23 ASP A OD1 1 ATOM 188 O OD2 . ASP A 1 23 ? 36.180 -37.359 12.013 1.00 62.29 ? 23 ASP A OD2 1 ATOM 189 N N . THR A 1 24 ? 33.291 -37.812 15.865 1.00 54.18 ? 24 THR A N 1 ATOM 190 C CA . THR A 1 24 ? 32.393 -37.815 17.011 1.00 54.13 ? 24 THR A CA 1 ATOM 191 C C . THR A 1 24 ? 31.832 -36.417 17.259 1.00 54.25 ? 24 THR A C 1 ATOM 192 O O . THR A 1 24 ? 30.711 -36.262 17.747 1.00 53.79 ? 24 THR A O 1 ATOM 193 C CB . THR A 1 24 ? 33.116 -38.349 18.273 1.00 53.89 ? 24 THR A CB 1 ATOM 194 O OG1 . THR A 1 24 ? 33.404 -39.742 18.097 1.00 54.98 ? 24 THR A OG1 1 ATOM 195 C CG2 . THR A 1 24 ? 32.244 -38.189 19.503 1.00 54.04 ? 24 THR A CG2 1 ATOM 196 N N . SER A 1 25 ? 32.603 -35.396 16.904 1.00 54.39 ? 25 SER A N 1 ATOM 197 C CA . SER A 1 25 ? 32.142 -34.025 17.073 1.00 55.05 ? 25 SER A CA 1 ATOM 198 C C . SER A 1 25 ? 32.760 -33.059 16.070 1.00 54.78 ? 25 SER A C 1 ATOM 199 O O . SER A 1 25 ? 33.799 -33.341 15.470 1.00 55.44 ? 25 SER A O 1 ATOM 200 C CB . SER A 1 25 ? 32.457 -33.526 18.489 1.00 55.41 ? 25 SER A CB 1 ATOM 201 O OG . SER A 1 25 ? 33.846 -33.326 18.660 1.00 56.48 ? 25 SER A OG 1 ATOM 202 N N . SER A 1 26 ? 32.096 -31.924 15.871 1.00 54.19 ? 26 SER A N 1 ATOM 203 C CA . SER A 1 26 ? 32.620 -30.894 14.992 1.00 53.46 ? 26 SER A CA 1 ATOM 204 C C . SER A 1 26 ? 32.358 -29.522 15.605 1.00 54.26 ? 26 SER A C 1 ATOM 205 O O . SER A 1 26 ? 31.373 -29.327 16.325 1.00 54.35 ? 26 SER A O 1 ATOM 206 C CB . SER A 1 26 ? 31.998 -30.976 13.600 1.00 53.59 ? 26 SER A CB 1 ATOM 207 O OG . SER A 1 26 ? 30.630 -30.616 13.619 1.00 56.82 ? 26 SER A OG 1 ATOM 208 N N . ASP A 1 27 ? 33.263 -28.583 15.342 1.00 54.83 ? 27 ASP A N 1 ATOM 209 C CA . ASP A 1 27 ? 33.135 -27.212 15.844 1.00 55.80 ? 27 ASP A CA 1 ATOM 210 C C . ASP A 1 27 ? 33.642 -26.261 14.772 1.00 56.58 ? 27 ASP A C 1 ATOM 211 O O . ASP A 1 27 ? 34.839 -26.211 14.486 1.00 57.67 ? 27 ASP A O 1 ATOM 212 C CB . ASP A 1 27 ? 33.925 -27.042 17.139 1.00 55.46 ? 27 ASP A CB 1 ATOM 213 C CG . ASP A 1 27 ? 33.266 -27.742 18.308 1.00 57.36 ? 27 ASP A CG 1 ATOM 214 O OD1 . ASP A 1 27 ? 32.279 -27.200 18.851 1.00 58.89 ? 27 ASP A OD1 1 ATOM 215 O OD2 . ASP A 1 27 ? 33.726 -28.843 18.680 1.00 58.72 ? 27 ASP A OD2 1 ATOM 216 N N . GLU A 1 28 ? 32.731 -25.502 14.179 1.00 56.28 ? 28 GLU A N 1 ATOM 217 C CA . GLU A 1 28 ? 33.112 -24.603 13.110 1.00 56.63 ? 28 GLU A CA 1 ATOM 218 C C . GLU A 1 28 ? 32.919 -23.142 13.453 1.00 57.27 ? 28 GLU A C 1 ATOM 219 O O . GLU A 1 28 ? 31.869 -22.753 13.963 1.00 56.44 ? 28 GLU A O 1 ATOM 220 C CB . GLU A 1 28 ? 32.288 -24.937 11.849 1.00 56.51 ? 28 GLU A CB 1 ATOM 221 C CG . GLU A 1 28 ? 32.441 -23.949 10.704 1.00 59.39 ? 28 GLU A CG 1 ATOM 222 C CD . GLU A 1 28 ? 31.685 -24.386 9.464 1.00 61.88 ? 28 GLU A CD 1 ATOM 223 O OE1 . GLU A 1 28 ? 32.057 -23.953 8.350 1.00 62.90 ? 28 GLU A OE1 1 ATOM 224 O OE2 . GLU A 1 28 ? 30.715 -25.165 9.604 1.00 63.24 ? 28 GLU A OE2 1 ATOM 225 N N . PRO A 1 29 ? 33.961 -22.316 13.244 1.00 58.30 ? 29 PRO A N 1 ATOM 226 C CA . PRO A 1 29 ? 33.785 -20.896 13.569 1.00 57.21 ? 29 PRO A CA 1 ATOM 227 C C . PRO A 1 29 ? 32.953 -20.199 12.482 1.00 55.68 ? 29 PRO A C 1 ATOM 228 O O . PRO A 1 29 ? 33.304 -20.222 11.296 1.00 55.15 ? 29 PRO A O 1 ATOM 229 C CB . PRO A 1 29 ? 35.206 -20.344 13.612 1.00 57.53 ? 29 PRO A CB 1 ATOM 230 C CG . PRO A 1 29 ? 36.001 -21.278 12.766 1.00 59.87 ? 29 PRO A CG 1 ATOM 231 C CD . PRO A 1 29 ? 35.372 -22.640 12.949 1.00 59.40 ? 29 PRO A CD 1 ATOM 232 N N . ILE A 1 30 ? 31.843 -19.597 12.903 1.00 54.53 ? 30 ILE A N 1 ATOM 233 C CA . ILE A 1 30 ? 30.972 -18.843 12.004 1.00 53.21 ? 30 ILE A CA 1 ATOM 234 C C . ILE A 1 30 ? 31.123 -17.356 12.350 1.00 52.76 ? 30 ILE A C 1 ATOM 235 O O . ILE A 1 30 ? 31.147 -16.981 13.524 1.00 53.14 ? 30 ILE A O 1 ATOM 236 C CB . ILE A 1 30 ? 29.489 -19.250 12.190 1.00 52.38 ? 30 ILE A CB 1 ATOM 237 C CG1 . ILE A 1 30 ? 29.328 -20.751 11.936 1.00 50.69 ? 30 ILE A CG1 1 ATOM 238 C CG2 . ILE A 1 30 ? 28.604 -18.442 11.242 1.00 52.12 ? 30 ILE A CG2 1 ATOM 239 C CD1 . ILE A 1 30 ? 29.368 -21.143 10.481 1.00 50.47 ? 30 ILE A CD1 1 ATOM 240 N N . SER A 1 31 ? 31.244 -16.518 11.328 1.00 53.44 ? 31 SER A N 1 ATOM 241 C CA . SER A 1 31 ? 31.377 -15.084 11.544 1.00 54.20 ? 31 SER A CA 1 ATOM 242 C C . SER A 1 31 ? 30.243 -14.287 10.920 1.00 53.79 ? 31 SER A C 1 ATOM 243 O O . SER A 1 31 ? 29.859 -14.534 9.779 1.00 53.22 ? 31 SER A O 1 ATOM 244 C CB . SER A 1 31 ? 32.708 -14.570 10.966 1.00 54.29 ? 31 SER A CB 1 ATOM 245 O OG . SER A 1 31 ? 33.774 -14.774 11.880 1.00 57.66 ? 31 SER A OG 1 ATOM 246 N N . PHE A 1 32 ? 29.699 -13.346 11.688 1.00 54.96 ? 32 PHE A N 1 ATOM 247 C CA . PHE A 1 32 ? 28.655 -12.464 11.178 1.00 56.08 ? 32 PHE A CA 1 ATOM 248 C C . PHE A 1 32 ? 29.328 -11.216 10.589 1.00 58.61 ? 32 PHE A C 1 ATOM 249 O O . PHE A 1 32 ? 30.170 -10.593 11.242 1.00 59.56 ? 32 PHE A O 1 ATOM 250 C CB . PHE A 1 32 ? 27.707 -12.012 12.301 1.00 52.44 ? 32 PHE A CB 1 ATOM 251 C CG . PHE A 1 32 ? 27.097 -13.144 13.073 1.00 50.15 ? 32 PHE A CG 1 ATOM 252 C CD1 . PHE A 1 32 ? 26.502 -14.215 12.418 1.00 47.96 ? 32 PHE A CD1 1 ATOM 253 C CD2 . PHE A 1 32 ? 27.116 -13.139 14.462 1.00 48.57 ? 32 PHE A CD2 1 ATOM 254 C CE1 . PHE A 1 32 ? 25.943 -15.260 13.139 1.00 45.79 ? 32 PHE A CE1 1 ATOM 255 C CE2 . PHE A 1 32 ? 26.557 -14.177 15.185 1.00 45.95 ? 32 PHE A CE2 1 ATOM 256 C CZ . PHE A 1 32 ? 25.973 -15.239 14.521 1.00 45.80 ? 32 PHE A CZ 1 ATOM 257 N N . TRP A 1 33 ? 28.980 -10.876 9.351 1.00 60.39 ? 33 TRP A N 1 ATOM 258 C CA . TRP A 1 33 ? 29.520 -9.664 8.736 1.00 62.64 ? 33 TRP A CA 1 ATOM 259 C C . TRP A 1 33 ? 28.408 -8.828 8.110 1.00 62.04 ? 33 TRP A C 1 ATOM 260 O O . TRP A 1 33 ? 27.695 -9.286 7.217 1.00 62.25 ? 33 TRP A O 1 ATOM 261 C CB . TRP A 1 33 ? 30.577 -9.972 7.682 1.00 66.34 ? 33 TRP A CB 1 ATOM 262 C CG . TRP A 1 33 ? 31.250 -8.715 7.201 1.00 70.91 ? 33 TRP A CG 1 ATOM 263 C CD1 . TRP A 1 33 ? 31.124 -8.124 5.974 1.00 71.92 ? 33 TRP A CD1 1 ATOM 264 C CD2 . TRP A 1 33 ? 32.134 -7.879 7.958 1.00 73.21 ? 33 TRP A CD2 1 ATOM 265 N NE1 . TRP A 1 33 ? 31.872 -6.971 5.924 1.00 73.07 ? 33 TRP A NE1 1 ATOM 266 C CE2 . TRP A 1 33 ? 32.503 -6.799 7.128 1.00 73.94 ? 33 TRP A CE2 1 ATOM 267 C CE3 . TRP A 1 33 ? 32.649 -7.938 9.261 1.00 74.66 ? 33 TRP A CE3 1 ATOM 268 C CZ2 . TRP A 1 33 ? 33.365 -5.785 7.556 1.00 75.33 ? 33 TRP A CZ2 1 ATOM 269 C CZ3 . TRP A 1 33 ? 33.506 -6.929 9.685 1.00 75.88 ? 33 TRP A CZ3 1 ATOM 270 C CH2 . TRP A 1 33 ? 33.855 -5.869 8.834 1.00 75.72 ? 33 TRP A CH2 1 ATOM 271 N N . PRO A 1 34 ? 28.206 -7.607 8.615 1.00 61.53 ? 34 PRO A N 1 ATOM 272 C CA . PRO A 1 34 ? 28.923 -6.990 9.747 1.00 61.35 ? 34 PRO A CA 1 ATOM 273 C C . PRO A 1 34 ? 28.464 -7.598 11.067 1.00 61.56 ? 34 PRO A C 1 ATOM 274 O O . PRO A 1 34 ? 27.533 -8.403 11.088 1.00 62.55 ? 34 PRO A O 1 ATOM 275 C CB . PRO A 1 34 ? 28.490 -5.519 9.684 1.00 60.55 ? 34 PRO A CB 1 ATOM 276 C CG . PRO A 1 34 ? 27.267 -5.501 8.816 1.00 61.00 ? 34 PRO A CG 1 ATOM 277 C CD . PRO A 1 34 ? 27.447 -6.607 7.843 1.00 60.89 ? 34 PRO A CD 1 ATOM 278 N N . PRO A 1 35 ? 29.146 -7.270 12.184 1.00 61.31 ? 35 PRO A N 1 ATOM 279 C CA . PRO A 1 35 ? 28.724 -7.835 13.475 1.00 60.99 ? 35 PRO A CA 1 ATOM 280 C C . PRO A 1 35 ? 27.303 -7.316 13.798 1.00 60.90 ? 35 PRO A C 1 ATOM 281 O O . PRO A 1 35 ? 26.882 -6.273 13.289 1.00 61.24 ? 35 PRO A O 1 ATOM 282 C CB . PRO A 1 35 ? 29.708 -7.218 14.471 1.00 60.58 ? 35 PRO A CB 1 ATOM 283 C CG . PRO A 1 35 ? 30.931 -6.970 13.675 1.00 61.07 ? 35 PRO A CG 1 ATOM 284 C CD . PRO A 1 35 ? 30.449 -6.577 12.301 1.00 61.61 ? 35 PRO A CD 1 ATOM 285 N N . PHE A 1 36 ? 26.575 -8.047 14.636 1.00 60.28 ? 36 PHE A N 1 ATOM 286 C CA . PHE A 1 36 ? 25.258 -7.594 15.056 1.00 60.20 ? 36 PHE A CA 1 ATOM 287 C C . PHE A 1 36 ? 25.401 -6.360 15.952 1.00 61.68 ? 36 PHE A C 1 ATOM 288 O O . PHE A 1 36 ? 26.482 -6.079 16.470 1.00 63.15 ? 36 PHE A O 1 ATOM 289 C CB . PHE A 1 36 ? 24.545 -8.684 15.877 1.00 57.98 ? 36 PHE A CB 1 ATOM 290 C CG . PHE A 1 36 ? 23.833 -9.693 15.038 1.00 55.93 ? 36 PHE A CG 1 ATOM 291 C CD1 . PHE A 1 36 ? 24.507 -10.798 14.533 1.00 55.30 ? 36 PHE A CD1 1 ATOM 292 C CD2 . PHE A 1 36 ? 22.485 -9.535 14.739 1.00 54.07 ? 36 PHE A CD2 1 ATOM 293 C CE1 . PHE A 1 36 ? 23.849 -11.730 13.749 1.00 53.99 ? 36 PHE A CE1 1 ATOM 294 C CE2 . PHE A 1 36 ? 21.821 -10.462 13.955 1.00 52.30 ? 36 PHE A CE2 1 ATOM 295 C CZ . PHE A 1 36 ? 22.503 -11.561 13.460 1.00 53.80 ? 36 PHE A CZ 1 ATOM 296 N N . GLU A 1 37 ? 24.314 -5.606 16.094 1.00 62.49 ? 37 GLU A N 1 ATOM 297 C CA . GLU A 1 37 ? 24.309 -4.468 17.008 1.00 63.43 ? 37 GLU A CA 1 ATOM 298 C C . GLU A 1 37 ? 24.195 -5.047 18.425 1.00 62.68 ? 37 GLU A C 1 ATOM 299 O O . GLU A 1 37 ? 24.945 -4.663 19.326 1.00 64.13 ? 37 GLU A O 1 ATOM 300 C CB . GLU A 1 37 ? 23.129 -3.541 16.722 1.00 65.21 ? 37 GLU A CB 1 ATOM 301 C CG . GLU A 1 37 ? 23.274 -2.762 15.421 1.00 67.01 ? 37 GLU A CG 1 ATOM 302 C CD . GLU A 1 37 ? 24.520 -1.890 15.404 1.00 69.49 ? 37 GLU A CD 1 ATOM 303 O OE1 . GLU A 1 37 ? 24.843 -1.293 16.455 1.00 70.50 ? 37 GLU A OE1 1 ATOM 304 O OE2 . GLU A 1 37 ? 25.172 -1.792 14.342 1.00 70.27 ? 37 GLU A OE2 1 ATOM 305 N N . ASN A 1 38 ? 23.259 -5.975 18.606 1.00 61.24 ? 38 ASN A N 1 ATOM 306 C CA . ASN A 1 38 ? 23.072 -6.638 19.892 1.00 59.35 ? 38 ASN A CA 1 ATOM 307 C C . ASN A 1 38 ? 23.466 -8.111 19.777 1.00 57.49 ? 38 ASN A C 1 ATOM 308 O O . ASN A 1 38 ? 23.373 -8.697 18.700 1.00 55.83 ? 38 ASN A O 1 ATOM 309 C CB . ASN A 1 38 ? 21.606 -6.550 20.327 1.00 60.36 ? 38 ASN A CB 1 ATOM 310 C CG . ASN A 1 38 ? 21.158 -5.121 20.562 1.00 61.86 ? 38 ASN A CG 1 ATOM 311 O OD1 . ASN A 1 38 ? 21.762 -4.176 20.050 1.00 61.46 ? 38 ASN A OD1 1 ATOM 312 N ND2 . ASN A 1 38 ? 20.086 -4.955 21.329 1.00 62.02 ? 38 ASN A ND2 1 ATOM 313 N N . THR A 1 39 ? 23.918 -8.706 20.888 1.00 55.59 ? 39 THR A N 1 ATOM 314 C CA . THR A 1 39 ? 24.293 -10.139 20.902 1.00 54.37 ? 39 THR A CA 1 ATOM 315 C C . THR A 1 39 ? 23.034 -10.915 20.507 1.00 52.10 ? 39 THR A C 1 ATOM 316 O O . THR A 1 39 ? 22.034 -10.940 21.232 1.00 52.30 ? 39 THR A O 1 ATOM 317 C CB . THR A 1 39 ? 24.810 -10.567 22.260 1.00 55.12 ? 39 THR A CB 1 ATOM 318 O OG1 . THR A 1 39 ? 26.082 -9.939 22.490 1.00 58.57 ? 39 THR A OG1 1 ATOM 319 C CG2 . THR A 1 39 ? 24.995 -12.075 22.290 1.00 55.32 ? 39 THR A CG2 1 ATOM 320 N N . PRO A 1 40 ? 23.102 -11.624 19.380 1.00 49.23 ? 40 PRO A N 1 ATOM 321 C CA . PRO A 1 40 ? 21.940 -12.392 18.944 1.00 47.14 ? 40 PRO A CA 1 ATOM 322 C C . PRO A 1 40 ? 21.667 -13.691 19.629 1.00 45.62 ? 40 PRO A C 1 ATOM 323 O O . PRO A 1 40 ? 22.535 -14.202 20.319 1.00 43.97 ? 40 PRO A O 1 ATOM 324 C CB . PRO A 1 40 ? 22.256 -12.612 17.453 1.00 47.47 ? 40 PRO A CB 1 ATOM 325 C CG . PRO A 1 40 ? 23.752 -12.842 17.467 1.00 47.28 ? 40 PRO A CG 1 ATOM 326 C CD . PRO A 1 40 ? 24.292 -11.919 18.543 1.00 47.37 ? 40 PRO A CD 1 ATOM 327 N N . ASN A 1 41 ? 20.437 -14.183 19.483 1.00 44.87 ? 41 ASN A N 1 ATOM 328 C CA . ASN A 1 41 ? 20.134 -15.542 19.916 1.00 43.43 ? 41 ASN A CA 1 ATOM 329 C C . ASN A 1 41 ? 20.466 -16.428 18.677 1.00 41.28 ? 41 ASN A C 1 ATOM 330 O O . ASN A 1 41 ? 20.371 -15.976 17.533 1.00 38.27 ? 41 ASN A O 1 ATOM 331 C CB . ASN A 1 41 ? 18.653 -15.717 20.255 1.00 47.00 ? 41 ASN A CB 1 ATOM 332 C CG . ASN A 1 41 ? 18.299 -15.086 21.584 1.00 53.54 ? 41 ASN A CG 1 ATOM 333 O OD1 . ASN A 1 41 ? 19.157 -14.925 22.456 1.00 58.17 ? 41 ASN A OD1 1 ATOM 334 N ND2 . ASN A 1 41 ? 17.026 -14.737 21.759 1.00 56.90 ? 41 ASN A ND2 1 ATOM 335 N N . VAL A 1 42 ? 20.888 -17.664 18.913 1.00 39.52 ? 42 VAL A N 1 ATOM 336 C CA . VAL A 1 42 ? 21.165 -18.567 17.808 1.00 39.36 ? 42 VAL A CA 1 ATOM 337 C C . VAL A 1 42 ? 20.645 -19.968 18.120 1.00 38.52 ? 42 VAL A C 1 ATOM 338 O O . VAL A 1 42 ? 20.810 -20.448 19.237 1.00 40.75 ? 42 VAL A O 1 ATOM 339 C CB . VAL A 1 42 ? 22.701 -18.700 17.515 1.00 38.76 ? 42 VAL A CB 1 ATOM 340 C CG1 . VAL A 1 42 ? 22.915 -19.440 16.193 1.00 37.14 ? 42 VAL A CG1 1 ATOM 341 C CG2 . VAL A 1 42 ? 23.354 -17.323 17.485 1.00 36.79 ? 42 VAL A CG2 1 ATOM 342 N N . ILE A 1 43 ? 19.967 -20.596 17.155 1.00 37.61 ? 43 ILE A N 1 ATOM 343 C CA . ILE A 1 43 ? 19.523 -21.983 17.322 1.00 35.34 ? 43 ILE A CA 1 ATOM 344 C C . ILE A 1 43 ? 20.051 -22.813 16.153 1.00 34.82 ? 43 ILE A C 1 ATOM 345 O O . ILE A 1 43 ? 20.308 -22.282 15.072 1.00 35.10 ? 43 ILE A O 1 ATOM 346 C CB . ILE A 1 43 ? 18.007 -22.152 17.419 1.00 36.72 ? 43 ILE A CB 1 ATOM 347 C CG1 . ILE A 1 43 ? 17.316 -21.486 16.226 1.00 35.53 ? 43 ILE A CG1 1 ATOM 348 C CG2 . ILE A 1 43 ? 17.520 -21.588 18.745 1.00 34.05 ? 43 ILE A CG2 1 ATOM 349 C CD1 . ILE A 1 43 ? 15.802 -21.678 16.200 1.00 35.26 ? 43 ILE A CD1 1 ATOM 350 N N . VAL A 1 44 ? 20.173 -24.116 16.382 1.00 34.10 ? 44 VAL A N 1 ATOM 351 C CA . VAL A 1 44 ? 20.727 -25.042 15.410 1.00 34.03 ? 44 VAL A CA 1 ATOM 352 C C . VAL A 1 44 ? 19.907 -26.320 15.333 1.00 34.85 ? 44 VAL A C 1 ATOM 353 O O . VAL A 1 44 ? 19.428 -26.821 16.353 1.00 35.79 ? 44 VAL A O 1 ATOM 354 C CB . VAL A 1 44 ? 22.200 -25.445 15.841 1.00 35.10 ? 44 VAL A CB 1 ATOM 355 C CG1 . VAL A 1 44 ? 22.841 -26.338 14.781 1.00 32.68 ? 44 VAL A CG1 1 ATOM 356 C CG2 . VAL A 1 44 ? 23.043 -24.194 16.074 1.00 33.41 ? 44 VAL A CG2 1 ATOM 357 N N . SER A 1 45 ? 19.704 -26.818 14.117 1.00 34.39 ? 45 SER A N 1 ATOM 358 C CA . SER A 1 45 ? 19.003 -28.084 13.924 1.00 35.28 ? 45 SER A CA 1 ATOM 359 C C . SER A 1 45 ? 19.660 -28.856 12.780 1.00 34.98 ? 45 SER A C 1 ATOM 360 O O . SER A 1 45 ? 20.714 -28.458 12.277 1.00 34.58 ? 45 SER A O 1 ATOM 361 C CB . SER A 1 45 ? 17.515 -27.877 13.623 1.00 37.35 ? 45 SER A CB 1 ATOM 362 O OG . SER A 1 45 ? 16.818 -29.119 13.641 1.00 41.29 ? 45 SER A OG 1 ATOM 363 N N . PHE A 1 46 ? 19.038 -29.961 12.382 1.00 35.01 ? 46 PHE A N 1 ATOM 364 C CA . PHE A 1 46 ? 19.557 -30.781 11.298 1.00 35.70 ? 46 PHE A CA 1 ATOM 365 C C . PHE A 1 46 ? 18.713 -30.731 10.025 1.00 36.65 ? 46 PHE A C 1 ATOM 366 O O . PHE A 1 46 ? 17.507 -30.980 10.044 1.00 37.93 ? 46 PHE A O 1 ATOM 367 C CB . PHE A 1 46 ? 19.676 -32.238 11.753 1.00 36.32 ? 46 PHE A CB 1 ATOM 368 C CG . PHE A 1 46 ? 20.680 -32.446 12.842 1.00 36.94 ? 46 PHE A CG 1 ATOM 369 C CD1 . PHE A 1 46 ? 21.964 -32.879 12.547 1.00 37.22 ? 46 PHE A CD1 1 ATOM 370 C CD2 . PHE A 1 46 ? 20.343 -32.200 14.166 1.00 37.02 ? 46 PHE A CD2 1 ATOM 371 C CE1 . PHE A 1 46 ? 22.899 -33.068 13.558 1.00 37.85 ? 46 PHE A CE1 1 ATOM 372 C CE2 . PHE A 1 46 ? 21.268 -32.385 15.180 1.00 35.93 ? 46 PHE A CE2 1 ATOM 373 C CZ . PHE A 1 46 ? 22.549 -32.819 14.874 1.00 36.76 ? 46 PHE A CZ 1 ATOM 374 N N . GLY A 1 47 ? 19.375 -30.395 8.924 1.00 35.81 ? 47 GLY A N 1 ATOM 375 C CA . GLY A 1 47 ? 18.736 -30.350 7.623 1.00 34.38 ? 47 GLY A CA 1 ATOM 376 C C . GLY A 1 47 ? 18.891 -31.707 6.951 1.00 35.04 ? 47 GLY A C 1 ATOM 377 O O . GLY A 1 47 ? 18.057 -32.109 6.137 1.00 32.36 ? 47 GLY A O 1 ATOM 378 N N . MET A 1 48 ? 19.965 -32.427 7.256 1.00 35.83 ? 48 MET A N 1 ATOM 379 C CA . MET A 1 48 ? 20.121 -33.758 6.677 1.00 36.68 ? 48 MET A CA 1 ATOM 380 C C . MET A 1 48 ? 20.734 -34.712 7.700 1.00 36.63 ? 48 MET A C 1 ATOM 381 O O . MET A 1 48 ? 21.479 -34.288 8.579 1.00 36.88 ? 48 MET A O 1 ATOM 382 C CB . MET A 1 48 ? 20.943 -33.701 5.377 1.00 37.39 ? 48 MET A CB 1 ATOM 383 C CG . MET A 1 48 ? 21.249 -35.052 4.710 1.00 37.77 ? 48 MET A CG 1 ATOM 384 S SD . MET A 1 48 ? 22.799 -35.790 5.272 1.00 38.73 ? 48 MET A SD 1 ATOM 385 C CE . MET A 1 48 ? 23.968 -34.729 4.435 1.00 36.24 ? 48 MET A CE 1 ATOM 386 N N . LEU A 1 49 ? 20.412 -35.996 7.591 1.00 37.51 ? 49 LEU A N 1 ATOM 387 C CA . LEU A 1 49 ? 20.927 -36.964 8.550 1.00 39.08 ? 49 LEU A CA 1 ATOM 388 C C . LEU A 1 49 ? 21.012 -38.370 7.960 1.00 38.23 ? 49 LEU A C 1 ATOM 389 O O . LEU A 1 49 ? 20.073 -38.844 7.309 1.00 38.99 ? 49 LEU A O 1 ATOM 390 C CB . LEU A 1 49 ? 20.014 -36.960 9.797 1.00 38.53 ? 49 LEU A CB 1 ATOM 391 C CG . LEU A 1 49 ? 20.618 -37.371 11.143 1.00 43.03 ? 49 LEU A CG 1 ATOM 392 C CD1 . LEU A 1 49 ? 21.949 -36.666 11.374 1.00 41.33 ? 49 LEU A CD1 1 ATOM 393 C CD2 . LEU A 1 49 ? 19.641 -37.022 12.252 1.00 40.83 ? 49 LEU A CD2 1 ATOM 394 N N . ASP A 1 50 ? 22.158 -39.020 8.177 1.00 38.47 ? 50 ASP A N 1 ATOM 395 C CA . ASP A 1 50 ? 22.412 -40.400 7.703 1.00 39.25 ? 50 ASP A CA 1 ATOM 396 C C . ASP A 1 50 ? 23.086 -41.128 8.861 1.00 38.90 ? 50 ASP A C 1 ATOM 397 O O . ASP A 1 50 ? 24.298 -41.005 9.083 1.00 39.48 ? 50 ASP A O 1 ATOM 398 C CB . ASP A 1 50 ? 23.309 -40.384 6.463 1.00 38.83 ? 50 ASP A CB 1 ATOM 399 C CG . ASP A 1 50 ? 23.540 -41.773 5.890 1.00 39.31 ? 50 ASP A CG 1 ATOM 400 O OD1 . ASP A 1 50 ? 24.088 -41.842 4.769 1.00 41.27 ? 50 ASP A OD1 1 ATOM 401 O OD2 . ASP A 1 50 ? 23.192 -42.790 6.537 1.00 38.50 ? 50 ASP A OD2 1 ATOM 402 N N . VAL A 1 51 ? 22.255 -41.905 9.569 1.00 38.19 ? 51 VAL A N 1 ATOM 403 C CA . VAL A 1 51 ? 22.617 -42.626 10.799 1.00 37.08 ? 51 VAL A CA 1 ATOM 404 C C . VAL A 1 51 ? 22.424 -44.135 10.744 1.00 37.40 ? 51 VAL A C 1 ATOM 405 O O . VAL A 1 51 ? 21.388 -44.636 10.286 1.00 36.97 ? 51 VAL A O 1 ATOM 406 C CB . VAL A 1 51 ? 21.742 -42.076 11.974 1.00 38.02 ? 51 VAL A CB 1 ATOM 407 C CG1 . VAL A 1 51 ? 22.040 -42.829 13.272 1.00 35.90 ? 51 VAL A CG1 1 ATOM 408 C CG2 . VAL A 1 51 ? 21.972 -40.576 12.142 1.00 36.79 ? 51 VAL A CG2 1 ATOM 409 N N . ASP A 1 52 ? 23.412 -44.872 11.236 1.00 38.14 ? 52 ASP A N 1 ATOM 410 C CA . ASP A 1 52 ? 23.328 -46.325 11.210 1.00 39.30 ? 52 ASP A CA 1 ATOM 411 C C . ASP A 1 52 ? 22.367 -46.903 12.256 1.00 39.82 ? 52 ASP A C 1 ATOM 412 O O . ASP A 1 52 ? 22.376 -46.495 13.420 1.00 38.18 ? 52 ASP A O 1 ATOM 413 C CB . ASP A 1 52 ? 24.717 -46.927 11.391 1.00 40.83 ? 52 ASP A CB 1 ATOM 414 C CG . ASP A 1 52 ? 24.835 -48.273 10.737 1.00 43.36 ? 52 ASP A CG 1 ATOM 415 O OD1 . ASP A 1 52 ? 24.720 -49.288 11.455 1.00 43.15 ? 52 ASP A OD1 1 ATOM 416 O OD2 . ASP A 1 52 ? 25.015 -48.311 9.495 1.00 45.26 ? 52 ASP A OD2 1 ATOM 417 N N . ASN A 1 53 ? 21.548 -47.864 11.834 1.00 40.73 ? 53 ASN A N 1 ATOM 418 C CA . ASN A 1 53 ? 20.572 -48.485 12.721 1.00 41.82 ? 53 ASN A CA 1 ATOM 419 C C . ASN A 1 53 ? 21.147 -49.616 13.573 1.00 43.12 ? 53 ASN A C 1 ATOM 420 O O . ASN A 1 53 ? 20.401 -50.295 14.278 1.00 43.47 ? 53 ASN A O 1 ATOM 421 C CB . ASN A 1 53 ? 19.386 -49.014 11.905 1.00 40.07 ? 53 ASN A CB 1 ATOM 422 C CG . ASN A 1 53 ? 19.738 -50.250 11.081 1.00 42.25 ? 53 ASN A CG 1 ATOM 423 O OD1 . ASN A 1 53 ? 20.914 -50.537 10.832 1.00 39.77 ? 53 ASN A OD1 1 ATOM 424 N ND2 . ASN A 1 53 ? 18.712 -50.979 10.641 1.00 36.03 ? 53 ASN A ND2 1 ATOM 425 N N . SER A 1 54 ? 22.464 -49.824 13.522 1.00 43.71 ? 54 SER A N 1 ATOM 426 C CA . SER A 1 54 ? 23.061 -50.899 14.319 1.00 44.80 ? 54 SER A CA 1 ATOM 427 C C . SER A 1 54 ? 23.149 -50.476 15.772 1.00 44.10 ? 54 SER A C 1 ATOM 428 O O . SER A 1 54 ? 23.308 -51.308 16.657 1.00 44.36 ? 54 SER A O 1 ATOM 429 C CB . SER A 1 54 ? 24.441 -51.299 13.792 1.00 46.50 ? 54 SER A CB 1 ATOM 430 O OG . SER A 1 54 ? 25.385 -50.274 13.996 1.00 48.84 ? 54 SER A OG 1 ATOM 431 N N . ASN A 1 55 ? 23.060 -49.175 16.015 1.00 43.50 ? 55 ASN A N 1 ATOM 432 C CA . ASN A 1 55 ? 23.044 -48.671 17.384 1.00 44.35 ? 55 ASN A CA 1 ATOM 433 C C . ASN A 1 55 ? 22.018 -47.537 17.491 1.00 43.71 ? 55 ASN A C 1 ATOM 434 O O . ASN A 1 55 ? 21.436 -47.130 16.480 1.00 45.00 ? 55 ASN A O 1 ATOM 435 C CB . ASN A 1 55 ? 24.439 -48.217 17.815 1.00 44.52 ? 55 ASN A CB 1 ATOM 436 C CG . ASN A 1 55 ? 25.434 -49.377 17.855 1.00 48.44 ? 55 ASN A CG 1 ATOM 437 O OD1 . ASN A 1 55 ? 25.468 -50.157 18.808 1.00 48.09 ? 55 ASN A OD1 1 ATOM 438 N ND2 . ASN A 1 55 ? 26.233 -49.503 16.799 1.00 48.70 ? 55 ASN A ND2 1 ATOM 439 N N . ASN A 1 56 ? 21.764 -47.046 18.700 1.00 41.58 ? 56 ASN A N 1 ATOM 440 C CA . ASN A 1 56 ? 20.794 -45.972 18.870 1.00 40.51 ? 56 ASN A CA 1 ATOM 441 C C . ASN A 1 56 ? 21.200 -44.703 18.126 1.00 39.85 ? 56 ASN A C 1 ATOM 442 O O . ASN A 1 56 ? 22.383 -44.472 17.869 1.00 38.70 ? 56 ASN A O 1 ATOM 443 C CB . ASN A 1 56 ? 20.617 -45.635 20.365 1.00 40.39 ? 56 ASN A CB 1 ATOM 444 C CG . ASN A 1 56 ? 19.850 -46.706 21.120 1.00 40.97 ? 56 ASN A CG 1 ATOM 445 O OD1 . ASN A 1 56 ? 19.367 -47.670 20.531 1.00 41.97 ? 56 ASN A OD1 1 ATOM 446 N ND2 . ASN A 1 56 ? 19.727 -46.535 22.432 1.00 41.56 ? 56 ASN A ND2 1 ATOM 447 N N . LEU A 1 57 ? 20.205 -43.899 17.755 1.00 39.01 ? 57 LEU A N 1 ATOM 448 C CA . LEU A 1 57 ? 20.479 -42.633 17.108 1.00 36.82 ? 57 LEU A CA 1 ATOM 449 C C . LEU A 1 57 ? 20.737 -41.589 18.190 1.00 36.14 ? 57 LEU A C 1 ATOM 450 O O . LEU A 1 57 ? 19.859 -41.276 18.997 1.00 36.12 ? 57 LEU A O 1 ATOM 451 C CB . LEU A 1 57 ? 19.293 -42.184 16.220 1.00 35.68 ? 57 LEU A CB 1 ATOM 452 C CG . LEU A 1 57 ? 19.416 -40.825 15.486 1.00 37.17 ? 57 LEU A CG 1 ATOM 453 C CD1 . LEU A 1 57 ? 18.697 -40.887 14.145 1.00 33.61 ? 57 LEU A CD1 1 ATOM 454 C CD2 . LEU A 1 57 ? 18.847 -39.689 16.333 1.00 33.58 ? 57 LEU A CD2 1 ATOM 455 N N . ARG A 1 58 ? 21.965 -41.086 18.218 1.00 35.32 ? 58 ARG A N 1 ATOM 456 C CA . ARG A 1 58 ? 22.341 -40.041 19.152 1.00 36.10 ? 58 ARG A CA 1 ATOM 457 C C . ARG A 1 58 ? 22.982 -38.886 18.386 1.00 37.40 ? 58 ARG A C 1 ATOM 458 O O . ARG A 1 58 ? 24.075 -39.028 17.834 1.00 38.22 ? 58 ARG A O 1 ATOM 459 C CB . ARG A 1 58 ? 23.334 -40.555 20.208 1.00 35.82 ? 58 ARG A CB 1 ATOM 460 C CG . ARG A 1 58 ? 22.865 -41.787 20.969 1.00 36.36 ? 58 ARG A CG 1 ATOM 461 C CD . ARG A 1 58 ? 23.901 -42.244 21.996 1.00 37.37 ? 58 ARG A CD 1 ATOM 462 N NE . ARG A 1 58 ? 23.514 -43.502 22.631 1.00 39.15 ? 58 ARG A NE 1 ATOM 463 C CZ . ARG A 1 58 ? 23.798 -44.709 22.155 1.00 38.59 ? 58 ARG A CZ 1 ATOM 464 N NH1 . ARG A 1 58 ? 24.487 -44.840 21.026 1.00 42.15 ? 58 ARG A NH1 1 ATOM 465 N NH2 . ARG A 1 58 ? 23.385 -45.790 22.800 1.00 39.26 ? 58 ARG A NH2 1 ATOM 466 N N . VAL A 1 59 ? 22.286 -37.755 18.320 1.00 37.46 ? 59 VAL A N 1 ATOM 467 C CA . VAL A 1 59 ? 22.828 -36.572 17.656 1.00 39.04 ? 59 VAL A CA 1 ATOM 468 C C . VAL A 1 59 ? 22.583 -35.332 18.516 1.00 40.19 ? 59 VAL A C 1 ATOM 469 O O . VAL A 1 59 ? 21.560 -35.219 19.199 1.00 41.92 ? 59 VAL A O 1 ATOM 470 C CB . VAL A 1 59 ? 22.248 -36.354 16.220 1.00 37.69 ? 59 VAL A CB 1 ATOM 471 C CG1 . VAL A 1 59 ? 22.623 -37.522 15.324 1.00 35.17 ? 59 VAL A CG1 1 ATOM 472 C CG2 . VAL A 1 59 ? 20.737 -36.174 16.270 1.00 37.71 ? 59 VAL A CG2 1 ATOM 473 N N . ASN A 1 60 ? 23.533 -34.405 18.473 1.00 40.39 ? 60 ASN A N 1 ATOM 474 C CA . ASN A 1 60 ? 23.469 -33.183 19.268 1.00 41.19 ? 60 ASN A CA 1 ATOM 475 C C . ASN A 1 60 ? 24.055 -31.998 18.509 1.00 40.61 ? 60 ASN A C 1 ATOM 476 O O . ASN A 1 60 ? 25.017 -32.142 17.748 1.00 41.28 ? 60 ASN A O 1 ATOM 477 C CB . ASN A 1 60 ? 24.242 -33.401 20.583 1.00 43.47 ? 60 ASN A CB 1 ATOM 478 C CG . ASN A 1 60 ? 24.195 -32.195 21.500 1.00 44.71 ? 60 ASN A CG 1 ATOM 479 O OD1 . ASN A 1 60 ? 23.135 -31.616 21.739 1.00 44.99 ? 60 ASN A OD1 1 ATOM 480 N ND2 . ASN A 1 60 ? 25.374 -31.835 22.000 1.00 46.92 ? 60 ASN A ND2 1 ATOM 481 N N . SER A 1 61 ? 23.461 -30.826 18.702 1.00 40.19 ? 61 SER A N 1 ATOM 482 C CA . SER A 1 61 ? 23.936 -29.625 18.036 1.00 40.46 ? 61 SER A CA 1 ATOM 483 C C . SER A 1 61 ? 23.666 -28.400 18.899 1.00 40.93 ? 61 SER A C 1 ATOM 484 O O . SER A 1 61 ? 22.760 -28.413 19.725 1.00 42.13 ? 61 SER A O 1 ATOM 485 C CB . SER A 1 61 ? 23.218 -29.448 16.683 1.00 39.72 ? 61 SER A CB 1 ATOM 486 O OG . SER A 1 61 ? 21.852 -29.113 16.868 1.00 37.37 ? 61 SER A OG 1 ATOM 487 N N . SER A 1 62 ? 24.479 -27.361 18.740 1.00 42.20 ? 62 SER A N 1 ATOM 488 C CA . SER A 1 62 ? 24.250 -26.117 19.464 1.00 43.14 ? 62 SER A CA 1 ATOM 489 C C . SER A 1 62 ? 25.116 -24.978 18.954 1.00 43.10 ? 62 SER A C 1 ATOM 490 O O . SER A 1 62 ? 26.053 -25.189 18.186 1.00 43.64 ? 62 SER A O 1 ATOM 491 C CB . SER A 1 62 ? 24.516 -26.287 20.969 1.00 44.49 ? 62 SER A CB 1 ATOM 492 O OG . SER A 1 62 ? 25.885 -26.554 21.223 1.00 49.94 ? 62 SER A OG 1 ATOM 493 N N . ALA A 1 63 ? 24.753 -23.761 19.352 1.00 43.06 ? 63 ALA A N 1 ATOM 494 C CA . ALA A 1 63 ? 25.563 -22.586 19.038 1.00 44.08 ? 63 ALA A CA 1 ATOM 495 C C . ALA A 1 63 ? 26.292 -22.196 20.339 1.00 45.41 ? 63 ALA A C 1 ATOM 496 O O . ALA A 1 63 ? 25.665 -21.858 21.345 1.00 44.54 ? 63 ALA A O 1 ATOM 497 C CB . ALA A 1 63 ? 24.715 -21.442 18.554 1.00 42.31 ? 63 ALA A CB 1 ATOM 498 N N . ASP A 1 64 ? 27.620 -22.243 20.307 1.00 47.07 ? 64 ASP A N 1 ATOM 499 C CA . ASP A 1 64 ? 28.398 -21.934 21.503 1.00 48.42 ? 64 ASP A CA 1 ATOM 500 C C . ASP A 1 64 ? 29.207 -20.664 21.338 1.00 48.65 ? 64 ASP A C 1 ATOM 501 O O . ASP A 1 64 ? 29.496 -20.256 20.217 1.00 47.90 ? 64 ASP A O 1 ATOM 502 C CB . ASP A 1 64 ? 29.328 -23.109 21.827 1.00 49.61 ? 64 ASP A CB 1 ATOM 503 C CG . ASP A 1 64 ? 28.574 -24.399 22.076 1.00 50.51 ? 64 ASP A CG 1 ATOM 504 O OD1 . ASP A 1 64 ? 27.460 -24.347 22.640 1.00 51.27 ? 64 ASP A OD1 1 ATOM 505 O OD2 . ASP A 1 64 ? 29.101 -25.471 21.723 1.00 53.67 ? 64 ASP A OD2 1 ATOM 506 N N . ASP A 1 65 ? 29.564 -20.033 22.452 1.00 49.95 ? 65 ASP A N 1 ATOM 507 C CA . ASP A 1 65 ? 30.343 -18.796 22.419 1.00 52.36 ? 65 ASP A CA 1 ATOM 508 C C . ASP A 1 65 ? 29.720 -17.780 21.470 1.00 51.38 ? 65 ASP A C 1 ATOM 509 O O . ASP A 1 65 ? 30.395 -17.254 20.583 1.00 51.38 ? 65 ASP A O 1 ATOM 510 C CB . ASP A 1 65 ? 31.784 -19.088 21.968 1.00 54.84 ? 65 ASP A CB 1 ATOM 511 C CG . ASP A 1 65 ? 32.419 -20.210 22.758 1.00 57.02 ? 65 ASP A CG 1 ATOM 512 O OD1 . ASP A 1 65 ? 32.333 -20.180 24.005 1.00 58.56 ? 65 ASP A OD1 1 ATOM 513 O OD2 . ASP A 1 65 ? 33.006 -21.121 22.132 1.00 59.61 ? 65 ASP A OD2 1 ATOM 514 N N . VAL A 1 66 ? 28.435 -17.506 21.653 1.00 50.67 ? 66 VAL A N 1 ATOM 515 C CA . VAL A 1 66 ? 27.756 -16.565 20.782 1.00 50.72 ? 66 VAL A CA 1 ATOM 516 C C . VAL A 1 66 ? 28.102 -15.127 21.130 1.00 50.33 ? 66 VAL A C 1 ATOM 517 O O . VAL A 1 66 ? 27.960 -14.714 22.278 1.00 49.81 ? 66 VAL A O 1 ATOM 518 C CB . VAL A 1 66 ? 26.198 -16.727 20.884 1.00 50.62 ? 66 VAL A CB 1 ATOM 519 C CG1 . VAL A 1 66 ? 25.505 -15.573 20.177 1.00 49.92 ? 66 VAL A CG1 1 ATOM 520 C CG2 . VAL A 1 66 ? 25.769 -18.065 20.287 1.00 48.85 ? 66 VAL A CG2 1 ATOM 521 N N . THR A 1 67 ? 28.602 -14.389 20.141 1.00 50.93 ? 67 THR A N 1 ATOM 522 C CA . THR A 1 67 ? 28.882 -12.963 20.318 1.00 51.99 ? 67 THR A CA 1 ATOM 523 C C . THR A 1 67 ? 28.332 -12.192 19.104 1.00 52.67 ? 67 THR A C 1 ATOM 524 O O . THR A 1 67 ? 27.809 -12.792 18.160 1.00 52.16 ? 67 THR A O 1 ATOM 525 C CB . THR A 1 67 ? 30.395 -12.635 20.443 1.00 52.49 ? 67 THR A CB 1 ATOM 526 O OG1 . THR A 1 67 ? 31.035 -12.799 19.171 1.00 51.34 ? 67 THR A OG1 1 ATOM 527 C CG2 . THR A 1 67 ? 31.060 -13.538 21.489 1.00 52.30 ? 67 THR A CG2 1 ATOM 528 N N . VAL A 1 68 ? 28.449 -10.866 19.142 1.00 52.13 ? 68 VAL A N 1 ATOM 529 C CA . VAL A 1 68 ? 27.987 -10.021 18.047 1.00 50.54 ? 68 VAL A CA 1 ATOM 530 C C . VAL A 1 68 ? 28.758 -10.285 16.753 1.00 49.24 ? 68 VAL A C 1 ATOM 531 O O . VAL A 1 68 ? 28.260 -10.018 15.661 1.00 49.78 ? 68 VAL A O 1 ATOM 532 C CB . VAL A 1 68 ? 28.146 -8.512 18.399 1.00 51.93 ? 68 VAL A CB 1 ATOM 533 C CG1 . VAL A 1 68 ? 27.143 -8.128 19.475 1.00 52.69 ? 68 VAL A CG1 1 ATOM 534 C CG2 . VAL A 1 68 ? 29.565 -8.223 18.876 1.00 50.28 ? 68 VAL A CG2 1 ATOM 535 N N . GLY A 1 69 ? 29.963 -10.832 16.887 1.00 48.25 ? 69 GLY A N 1 ATOM 536 C CA . GLY A 1 69 ? 30.801 -11.090 15.726 1.00 46.19 ? 69 GLY A CA 1 ATOM 537 C C . GLY A 1 69 ? 30.668 -12.470 15.123 1.00 45.93 ? 69 GLY A C 1 ATOM 538 O O . GLY A 1 69 ? 30.999 -12.678 13.954 1.00 47.69 ? 69 GLY A O 1 ATOM 539 N N . GLY A 1 70 ? 30.187 -13.422 15.915 1.00 45.13 ? 70 GLY A N 1 ATOM 540 C CA . GLY A 1 70 ? 30.014 -14.775 15.411 1.00 43.82 ? 70 GLY A CA 1 ATOM 541 C C . GLY A 1 70 ? 29.770 -15.793 16.507 1.00 42.87 ? 70 GLY A C 1 ATOM 542 O O . GLY A 1 70 ? 29.476 -15.429 17.647 1.00 42.54 ? 70 GLY A O 1 ATOM 543 N N . PHE A 1 71 ? 29.889 -17.073 16.162 1.00 42.53 ? 71 PHE A N 1 ATOM 544 C CA . PHE A 1 71 ? 29.692 -18.142 17.137 1.00 41.90 ? 71 PHE A CA 1 ATOM 545 C C . PHE A 1 71 ? 30.327 -19.450 16.666 1.00 42.08 ? 71 PHE A C 1 ATOM 546 O O . PHE A 1 71 ? 30.811 -19.545 15.538 1.00 42.73 ? 71 PHE A O 1 ATOM 547 C CB . PHE A 1 71 ? 28.183 -18.357 17.393 1.00 41.95 ? 71 PHE A CB 1 ATOM 548 C CG . PHE A 1 71 ? 27.460 -19.064 16.278 1.00 40.95 ? 71 PHE A CG 1 ATOM 549 C CD1 . PHE A 1 71 ? 27.215 -20.428 16.347 1.00 40.78 ? 71 PHE A CD1 1 ATOM 550 C CD2 . PHE A 1 71 ? 27.024 -18.367 15.161 1.00 41.89 ? 71 PHE A CD2 1 ATOM 551 C CE1 . PHE A 1 71 ? 26.548 -21.082 15.320 1.00 41.01 ? 71 PHE A CE1 1 ATOM 552 C CE2 . PHE A 1 71 ? 26.357 -19.013 14.130 1.00 40.58 ? 71 PHE A CE2 1 ATOM 553 C CZ . PHE A 1 71 ? 26.117 -20.372 14.211 1.00 39.71 ? 71 PHE A CZ 1 ATOM 554 N N . THR A 1 72 ? 30.348 -20.446 17.546 1.00 42.75 ? 72 THR A N 1 ATOM 555 C CA . THR A 1 72 ? 30.879 -21.752 17.194 1.00 43.45 ? 72 THR A CA 1 ATOM 556 C C . THR A 1 72 ? 29.736 -22.740 16.950 1.00 42.48 ? 72 THR A C 1 ATOM 557 O O . THR A 1 72 ? 28.956 -23.053 17.856 1.00 41.35 ? 72 THR A O 1 ATOM 558 C CB . THR A 1 72 ? 31.801 -22.318 18.302 1.00 45.14 ? 72 THR A CB 1 ATOM 559 O OG1 . THR A 1 72 ? 32.927 -21.448 18.454 1.00 47.00 ? 72 THR A OG1 1 ATOM 560 C CG2 . THR A 1 72 ? 32.291 -23.724 17.936 1.00 42.67 ? 72 THR A CG2 1 ATOM 561 N N . LEU A 1 73 ? 29.632 -23.178 15.697 1.00 41.57 ? 73 LEU A N 1 ATOM 562 C CA . LEU A 1 73 ? 28.643 -24.167 15.276 1.00 42.00 ? 73 LEU A CA 1 ATOM 563 C C . LEU A 1 73 ? 29.118 -25.541 15.775 1.00 42.81 ? 73 LEU A C 1 ATOM 564 O O . LEU A 1 73 ? 30.102 -26.091 15.274 1.00 42.69 ? 73 LEU A O 1 ATOM 565 C CB . LEU A 1 73 ? 28.532 -24.164 13.749 1.00 40.95 ? 73 LEU A CB 1 ATOM 566 C CG . LEU A 1 73 ? 27.432 -25.011 13.094 1.00 42.05 ? 73 LEU A CG 1 ATOM 567 C CD1 . LEU A 1 73 ? 26.090 -24.660 13.715 1.00 41.09 ? 73 LEU A CD1 1 ATOM 568 C CD2 . LEU A 1 73 ? 27.405 -24.779 11.588 1.00 38.96 ? 73 LEU A CD2 1 ATOM 569 N N . HIS A 1 74 ? 28.406 -26.087 16.757 1.00 42.29 ? 74 HIS A N 1 ATOM 570 C CA . HIS A 1 74 ? 28.774 -27.359 17.348 1.00 42.61 ? 74 HIS A CA 1 ATOM 571 C C . HIS A 1 74 ? 27.879 -28.552 17.051 1.00 43.57 ? 74 HIS A C 1 ATOM 572 O O . HIS A 1 74 ? 26.647 -28.455 17.069 1.00 42.98 ? 74 HIS A O 1 ATOM 573 C CB . HIS A 1 74 ? 28.841 -27.225 18.884 1.00 43.83 ? 74 HIS A CB 1 ATOM 574 C CG . HIS A 1 74 ? 29.105 -28.522 19.590 1.00 45.35 ? 74 HIS A CG 1 ATOM 575 N ND1 . HIS A 1 74 ? 30.340 -29.134 19.582 1.00 45.65 ? 74 HIS A ND1 1 ATOM 576 C CD2 . HIS A 1 74 ? 28.287 -29.333 20.301 1.00 45.39 ? 74 HIS A CD2 1 ATOM 577 C CE1 . HIS A 1 74 ? 30.271 -30.268 20.257 1.00 45.46 ? 74 HIS A CE1 1 ATOM 578 N NE2 . HIS A 1 74 ? 29.036 -30.412 20.703 1.00 46.60 ? 74 HIS A NE2 1 ATOM 579 N N . TYR A 1 75 ? 28.523 -29.676 16.775 1.00 43.28 ? 75 TYR A N 1 ATOM 580 C CA . TYR A 1 75 ? 27.822 -30.924 16.609 1.00 43.56 ? 75 TYR A CA 1 ATOM 581 C C . TYR A 1 75 ? 28.562 -32.020 17.387 1.00 45.01 ? 75 TYR A C 1 ATOM 582 O O . TYR A 1 75 ? 29.775 -31.928 17.595 1.00 45.94 ? 75 TYR A O 1 ATOM 583 C CB . TYR A 1 75 ? 27.795 -31.369 15.130 1.00 43.01 ? 75 TYR A CB 1 ATOM 584 C CG . TYR A 1 75 ? 27.644 -32.864 14.937 1.00 42.49 ? 75 TYR A CG 1 ATOM 585 C CD1 . TYR A 1 75 ? 26.388 -33.450 14.864 1.00 42.87 ? 75 TYR A CD1 1 ATOM 586 C CD2 . TYR A 1 75 ? 28.763 -33.694 14.844 1.00 42.71 ? 75 TYR A CD2 1 ATOM 587 C CE1 . TYR A 1 75 ? 26.244 -34.812 14.700 1.00 41.92 ? 75 TYR A CE1 1 ATOM 588 C CE2 . TYR A 1 75 ? 28.626 -35.065 14.683 1.00 42.21 ? 75 TYR A CE2 1 ATOM 589 C CZ . TYR A 1 75 ? 27.363 -35.612 14.608 1.00 41.34 ? 75 TYR A CZ 1 ATOM 590 O OH . TYR A 1 75 ? 27.206 -36.963 14.438 1.00 41.43 ? 75 TYR A OH 1 ATOM 591 N N . ASN A 1 76 ? 27.803 -33.007 17.862 1.00 44.57 ? 76 ASN A N 1 ATOM 592 C CA . ASN A 1 76 ? 28.409 -34.216 18.394 1.00 43.05 ? 76 ASN A CA 1 ATOM 593 C C . ASN A 1 76 ? 27.428 -35.385 18.549 1.00 43.50 ? 76 ASN A C 1 ATOM 594 O O . ASN A 1 76 ? 26.242 -35.173 18.800 1.00 43.20 ? 76 ASN A O 1 ATOM 595 C CB . ASN A 1 76 ? 29.107 -34.016 19.751 1.00 42.04 ? 76 ASN A CB 1 ATOM 596 C CG . ASN A 1 76 ? 28.128 -33.889 20.915 1.00 41.19 ? 76 ASN A CG 1 ATOM 597 O OD1 . ASN A 1 76 ? 27.708 -32.788 21.274 1.00 39.37 ? 76 ASN A OD1 1 ATOM 598 N ND2 . ASN A 1 76 ? 27.765 -35.022 21.508 1.00 40.01 ? 76 ASN A ND2 1 ATOM 599 N N . SER A 1 77 ? 27.918 -36.604 18.326 1.00 44.27 ? 77 SER A N 1 ATOM 600 C CA . SER A 1 77 ? 27.122 -37.781 18.690 1.00 43.62 ? 77 SER A CA 1 ATOM 601 C C . SER A 1 77 ? 27.833 -38.285 19.974 1.00 43.95 ? 77 SER A C 1 ATOM 602 O O . SER A 1 77 ? 28.659 -37.576 20.546 1.00 45.00 ? 77 SER A O 1 ATOM 603 C CB . SER A 1 77 ? 27.171 -38.881 17.630 1.00 41.80 ? 77 SER A CB 1 ATOM 604 O OG . SER A 1 77 ? 28.460 -39.039 17.073 1.00 46.81 ? 77 SER A OG 1 ATOM 605 N N . TRP A 1 78 ? 27.467 -39.467 20.450 1.00 44.82 ? 78 TRP A N 1 ATOM 606 C CA . TRP A 1 78 ? 28.164 -40.059 21.581 1.00 45.40 ? 78 TRP A CA 1 ATOM 607 C C . TRP A 1 78 ? 27.958 -41.562 21.656 1.00 46.79 ? 78 TRP A C 1 ATOM 608 O O . TRP A 1 78 ? 27.149 -42.136 20.914 1.00 47.03 ? 78 TRP A O 1 ATOM 609 C CB . TRP A 1 78 ? 27.828 -39.384 22.908 1.00 43.89 ? 78 TRP A CB 1 ATOM 610 C CG . TRP A 1 78 ? 26.394 -39.443 23.338 1.00 43.14 ? 78 TRP A CG 1 ATOM 611 C CD1 . TRP A 1 78 ? 25.852 -40.277 24.276 1.00 42.21 ? 78 TRP A CD1 1 ATOM 612 C CD2 . TRP A 1 78 ? 25.317 -38.621 22.863 1.00 42.90 ? 78 TRP A CD2 1 ATOM 613 N NE1 . TRP A 1 78 ? 24.510 -40.018 24.423 1.00 42.28 ? 78 TRP A NE1 1 ATOM 614 C CE2 . TRP A 1 78 ? 24.154 -39.011 23.565 1.00 42.73 ? 78 TRP A CE2 1 ATOM 615 C CE3 . TRP A 1 78 ? 25.221 -37.593 21.915 1.00 41.51 ? 78 TRP A CE3 1 ATOM 616 C CZ2 . TRP A 1 78 ? 22.911 -38.411 23.348 1.00 40.77 ? 78 TRP A CZ2 1 ATOM 617 C CZ3 . TRP A 1 78 ? 23.986 -36.996 21.701 1.00 40.42 ? 78 TRP A CZ3 1 ATOM 618 C CH2 . TRP A 1 78 ? 22.846 -37.409 22.415 1.00 40.78 ? 78 TRP A CH2 1 ATOM 619 N N . TYR A 1 79 ? 28.695 -42.180 22.570 1.00 48.07 ? 79 TYR A N 1 ATOM 620 C CA . TYR A 1 79 ? 28.698 -43.610 22.769 1.00 48.27 ? 79 TYR A CA 1 ATOM 621 C C . TYR A 1 79 ? 28.959 -44.398 21.485 1.00 47.45 ? 79 TYR A C 1 ATOM 622 O O . TYR A 1 79 ? 29.935 -44.145 20.771 1.00 48.22 ? 79 TYR A O 1 ATOM 623 C CB . TYR A 1 79 ? 27.416 -44.105 23.450 1.00 50.83 ? 79 TYR A CB 1 ATOM 624 C CG . TYR A 1 79 ? 27.615 -45.381 24.242 1.00 54.26 ? 79 TYR A CG 1 ATOM 625 C CD1 . TYR A 1 79 ? 28.530 -45.433 25.292 1.00 55.40 ? 79 TYR A CD1 1 ATOM 626 C CD2 . TYR A 1 79 ? 26.902 -46.537 23.938 1.00 54.80 ? 79 TYR A CD2 1 ATOM 627 C CE1 . TYR A 1 79 ? 28.731 -46.598 26.017 1.00 56.49 ? 79 TYR A CE1 1 ATOM 628 C CE2 . TYR A 1 79 ? 27.097 -47.711 24.659 1.00 56.92 ? 79 TYR A CE2 1 ATOM 629 C CZ . TYR A 1 79 ? 28.013 -47.732 25.698 1.00 57.22 ? 79 TYR A CZ 1 ATOM 630 O OH . TYR A 1 79 ? 28.210 -48.888 26.415 1.00 58.47 ? 79 TYR A OH 1 ATOM 631 N N . THR A 1 80 ? 28.066 -45.320 21.168 1.00 46.91 ? 80 THR A N 1 ATOM 632 C CA . THR A 1 80 ? 28.297 -46.209 20.038 1.00 47.47 ? 80 THR A CA 1 ATOM 633 C C . THR A 1 80 ? 27.595 -45.814 18.764 1.00 47.68 ? 80 THR A C 1 ATOM 634 O O . THR A 1 80 ? 27.550 -46.585 17.811 1.00 47.95 ? 80 THR A O 1 ATOM 635 C CB . THR A 1 80 ? 27.853 -47.647 20.428 1.00 47.39 ? 80 THR A CB 1 ATOM 636 O OG1 . THR A 1 80 ? 26.504 -47.607 20.915 1.00 46.11 ? 80 THR A OG1 1 ATOM 637 C CG2 . THR A 1 80 ? 28.760 -48.224 21.509 1.00 47.11 ? 80 THR A CG2 1 ATOM 638 N N . THR A 1 81 ? 27.055 -44.603 18.733 1.00 47.73 ? 81 THR A N 1 ATOM 639 C CA . THR A 1 81 ? 26.326 -44.160 17.559 1.00 46.65 ? 81 THR A CA 1 ATOM 640 C C . THR A 1 81 ? 27.227 -43.959 16.350 1.00 46.26 ? 81 THR A C 1 ATOM 641 O O . THR A 1 81 ? 28.348 -43.467 16.472 1.00 46.67 ? 81 THR A O 1 ATOM 642 C CB . THR A 1 81 ? 25.547 -42.859 17.879 1.00 46.83 ? 81 THR A CB 1 ATOM 643 O OG1 . THR A 1 81 ? 24.436 -43.192 18.725 1.00 47.40 ? 81 THR A OG1 1 ATOM 644 C CG2 . THR A 1 81 ? 25.040 -42.172 16.602 1.00 44.56 ? 81 THR A CG2 1 ATOM 645 N N . THR A 1 82 ? 26.753 -44.391 15.189 1.00 44.92 ? 82 THR A N 1 ATOM 646 C CA . THR A 1 82 ? 27.504 -44.203 13.964 1.00 44.11 ? 82 THR A CA 1 ATOM 647 C C . THR A 1 82 ? 26.741 -43.288 13.016 1.00 43.62 ? 82 THR A C 1 ATOM 648 O O . THR A 1 82 ? 25.652 -43.632 12.550 1.00 44.43 ? 82 THR A O 1 ATOM 649 C CB . THR A 1 82 ? 27.761 -45.532 13.237 1.00 44.18 ? 82 THR A CB 1 ATOM 650 O OG1 . THR A 1 82 ? 28.595 -46.356 14.056 1.00 46.27 ? 82 THR A OG1 1 ATOM 651 C CG2 . THR A 1 82 ? 28.437 -45.284 11.893 1.00 40.53 ? 82 THR A CG2 1 ATOM 652 N N . VAL A 1 83 ? 27.310 -42.118 12.745 1.00 42.67 ? 83 VAL A N 1 ATOM 653 C CA . VAL A 1 83 ? 26.697 -41.169 11.819 1.00 41.78 ? 83 VAL A CA 1 ATOM 654 C C . VAL A 1 83 ? 27.502 -41.155 10.514 1.00 43.84 ? 83 VAL A C 1 ATOM 655 O O . VAL A 1 83 ? 28.728 -41.006 10.523 1.00 43.42 ? 83 VAL A O 1 ATOM 656 C CB . VAL A 1 83 ? 26.638 -39.760 12.419 1.00 40.73 ? 83 VAL A CB 1 ATOM 657 C CG1 . VAL A 1 83 ? 25.864 -38.837 11.493 1.00 37.84 ? 83 VAL A CG1 1 ATOM 658 C CG2 . VAL A 1 83 ? 25.988 -39.818 13.792 1.00 37.75 ? 83 VAL A CG2 1 ATOM 659 N N . TRP A 1 84 ? 26.802 -41.313 9.395 1.00 44.16 ? 84 TRP A N 1 ATOM 660 C CA . TRP A 1 84 ? 27.451 -41.366 8.088 1.00 46.38 ? 84 TRP A CA 1 ATOM 661 C C . TRP A 1 84 ? 27.442 -40.026 7.389 1.00 46.57 ? 84 TRP A C 1 ATOM 662 O O . TRP A 1 84 ? 28.420 -39.666 6.730 1.00 46.82 ? 84 TRP A O 1 ATOM 663 C CB . TRP A 1 84 ? 26.795 -42.435 7.220 1.00 48.35 ? 84 TRP A CB 1 ATOM 664 C CG . TRP A 1 84 ? 26.963 -43.815 7.768 1.00 52.85 ? 84 TRP A CG 1 ATOM 665 C CD1 . TRP A 1 84 ? 25.998 -44.590 8.343 1.00 53.48 ? 84 TRP A CD1 1 ATOM 666 C CD2 . TRP A 1 84 ? 28.170 -44.589 7.799 1.00 54.13 ? 84 TRP A CD2 1 ATOM 667 N NE1 . TRP A 1 84 ? 26.526 -45.798 8.726 1.00 54.34 ? 84 TRP A NE1 1 ATOM 668 C CE2 . TRP A 1 84 ? 27.857 -45.825 8.405 1.00 54.54 ? 84 TRP A CE2 1 ATOM 669 C CE3 . TRP A 1 84 ? 29.484 -44.358 7.373 1.00 55.22 ? 84 TRP A CE3 1 ATOM 670 C CZ2 . TRP A 1 84 ? 28.810 -46.829 8.595 1.00 54.31 ? 84 TRP A CZ2 1 ATOM 671 C CZ3 . TRP A 1 84 ? 30.432 -45.360 7.563 1.00 55.74 ? 84 TRP A CZ3 1 ATOM 672 C CH2 . TRP A 1 84 ? 30.087 -46.578 8.168 1.00 54.32 ? 84 TRP A CH2 1 ATOM 673 N N . ASN A 1 85 ? 26.338 -39.293 7.491 1.00 45.10 ? 85 ASN A N 1 ATOM 674 C CA . ASN A 1 85 ? 26.310 -37.947 6.930 1.00 43.73 ? 85 ASN A CA 1 ATOM 675 C C . ASN A 1 85 ? 25.406 -37.029 7.751 1.00 43.50 ? 85 ASN A C 1 ATOM 676 O O . ASN A 1 85 ? 24.555 -37.506 8.497 1.00 43.22 ? 85 ASN A O 1 ATOM 677 C CB . ASN A 1 85 ? 25.789 -37.951 5.478 1.00 44.16 ? 85 ASN A CB 1 ATOM 678 C CG . ASN A 1 85 ? 26.692 -38.727 4.536 1.00 45.48 ? 85 ASN A CG 1 ATOM 679 O OD1 . ASN A 1 85 ? 27.752 -38.248 4.137 1.00 45.59 ? 85 ASN A OD1 1 ATOM 680 N ND2 . ASN A 1 85 ? 26.281 -39.941 4.191 1.00 43.04 ? 85 ASN A ND2 1 ATOM 681 N N . TYR A 1 86 ? 25.624 -35.722 7.670 1.00 42.51 ? 86 TYR A N 1 ATOM 682 C CA . TYR A 1 86 ? 24.676 -34.815 8.297 1.00 42.37 ? 86 TYR A CA 1 ATOM 683 C C . TYR A 1 86 ? 24.799 -33.399 7.779 1.00 42.66 ? 86 TYR A C 1 ATOM 684 O O . TYR A 1 86 ? 25.855 -33.005 7.295 1.00 43.64 ? 86 TYR A O 1 ATOM 685 C CB . TYR A 1 86 ? 24.788 -34.802 9.828 1.00 41.90 ? 86 TYR A CB 1 ATOM 686 C CG . TYR A 1 86 ? 26.092 -34.271 10.386 1.00 41.29 ? 86 TYR A CG 1 ATOM 687 C CD1 . TYR A 1 86 ? 26.268 -32.912 10.627 1.00 41.45 ? 86 TYR A CD1 1 ATOM 688 C CD2 . TYR A 1 86 ? 27.140 -35.134 10.683 1.00 40.48 ? 86 TYR A CD2 1 ATOM 689 C CE1 . TYR A 1 86 ? 27.450 -32.425 11.155 1.00 42.64 ? 86 TYR A CE1 1 ATOM 690 C CE2 . TYR A 1 86 ? 28.331 -34.654 11.212 1.00 42.07 ? 86 TYR A CE2 1 ATOM 691 C CZ . TYR A 1 86 ? 28.475 -33.298 11.447 1.00 42.21 ? 86 TYR A CZ 1 ATOM 692 O OH . TYR A 1 86 ? 29.648 -32.804 11.968 1.00 44.79 ? 86 TYR A OH 1 ATOM 693 N N . LYS A 1 87 ? 23.701 -32.651 7.837 1.00 41.95 ? 87 LYS A N 1 ATOM 694 C CA . LYS A 1 87 ? 23.749 -31.244 7.484 1.00 40.28 ? 87 LYS A CA 1 ATOM 695 C C . LYS A 1 87 ? 23.074 -30.415 8.566 1.00 40.78 ? 87 LYS A C 1 ATOM 696 O O . LYS A 1 87 ? 21.869 -30.561 8.820 1.00 41.58 ? 87 LYS A O 1 ATOM 697 C CB . LYS A 1 87 ? 23.068 -30.938 6.157 1.00 39.04 ? 87 LYS A CB 1 ATOM 698 C CG . LYS A 1 87 ? 23.107 -29.444 5.815 1.00 38.90 ? 87 LYS A CG 1 ATOM 699 C CD . LYS A 1 87 ? 22.437 -29.155 4.487 1.00 35.49 ? 87 LYS A CD 1 ATOM 700 C CE . LYS A 1 87 ? 20.937 -29.003 4.659 1.00 37.50 ? 87 LYS A CE 1 ATOM 701 N NZ . LYS A 1 87 ? 20.206 -29.254 3.385 1.00 39.62 ? 87 LYS A NZ 1 ATOM 702 N N . LEU A 1 88 ? 23.871 -29.550 9.191 1.00 40.14 ? 88 LEU A N 1 ATOM 703 C CA . LEU A 1 88 ? 23.385 -28.641 10.208 1.00 39.03 ? 88 LEU A CA 1 ATOM 704 C C . LEU A 1 88 ? 22.789 -27.391 9.572 1.00 38.69 ? 88 LEU A C 1 ATOM 705 O O . LEU A 1 88 ? 23.237 -26.936 8.515 1.00 39.19 ? 88 LEU A O 1 ATOM 706 C CB . LEU A 1 88 ? 24.542 -28.163 11.120 1.00 37.96 ? 88 LEU A CB 1 ATOM 707 C CG . LEU A 1 88 ? 25.415 -29.217 11.803 1.00 36.91 ? 88 LEU A CG 1 ATOM 708 C CD1 . LEU A 1 88 ? 26.477 -28.540 12.649 1.00 36.22 ? 88 LEU A CD1 1 ATOM 709 C CD2 . LEU A 1 88 ? 24.547 -30.121 12.659 1.00 38.22 ? 88 LEU A CD2 1 ATOM 710 N N . ILE A 1 89 ? 21.740 -26.880 10.204 1.00 37.40 ? 89 ILE A N 1 ATOM 711 C CA . ILE A 1 89 ? 21.184 -25.606 9.792 1.00 36.00 ? 89 ILE A CA 1 ATOM 712 C C . ILE A 1 89 ? 21.216 -24.696 11.032 1.00 36.14 ? 89 ILE A C 1 ATOM 713 O O . ILE A 1 89 ? 21.167 -25.172 12.171 1.00 37.08 ? 89 ILE A O 1 ATOM 714 C CB . ILE A 1 89 ? 19.739 -25.700 9.277 1.00 37.11 ? 89 ILE A CB 1 ATOM 715 C CG1 . ILE A 1 89 ? 18.793 -26.089 10.411 1.00 35.00 ? 89 ILE A CG1 1 ATOM 716 C CG2 . ILE A 1 89 ? 19.674 -26.720 8.149 1.00 35.13 ? 89 ILE A CG2 1 ATOM 717 C CD1 . ILE A 1 89 ? 17.360 -25.719 10.152 1.00 35.19 ? 89 ILE A CD1 1 ATOM 718 N N . TRP A 1 90 ? 21.336 -23.394 10.817 1.00 35.05 ? 90 TRP A N 1 ATOM 719 C CA . TRP A 1 90 ? 21.326 -22.470 11.933 1.00 35.82 ? 90 TRP A CA 1 ATOM 720 C C . TRP A 1 90 ? 20.752 -21.121 11.537 1.00 34.61 ? 90 TRP A C 1 ATOM 721 O O . TRP A 1 90 ? 20.818 -20.712 10.378 1.00 33.08 ? 90 TRP A O 1 ATOM 722 C CB . TRP A 1 90 ? 22.749 -22.235 12.498 1.00 36.73 ? 90 TRP A CB 1 ATOM 723 C CG . TRP A 1 90 ? 23.717 -21.639 11.512 1.00 36.97 ? 90 TRP A CG 1 ATOM 724 C CD1 . TRP A 1 90 ? 24.553 -22.321 10.682 1.00 38.50 ? 90 TRP A CD1 1 ATOM 725 C CD2 . TRP A 1 90 ? 23.939 -20.243 11.246 1.00 37.32 ? 90 TRP A CD2 1 ATOM 726 N NE1 . TRP A 1 90 ? 25.287 -21.444 9.920 1.00 39.66 ? 90 TRP A NE1 1 ATOM 727 C CE2 . TRP A 1 90 ? 24.929 -20.163 10.243 1.00 38.42 ? 90 TRP A CE2 1 ATOM 728 C CE3 . TRP A 1 90 ? 23.400 -19.055 11.757 1.00 37.49 ? 90 TRP A CE3 1 ATOM 729 C CZ2 . TRP A 1 90 ? 25.391 -18.939 9.737 1.00 37.72 ? 90 TRP A CZ2 1 ATOM 730 C CZ3 . TRP A 1 90 ? 23.861 -17.837 11.253 1.00 38.24 ? 90 TRP A CZ3 1 ATOM 731 C CH2 . TRP A 1 90 ? 24.847 -17.792 10.253 1.00 37.80 ? 90 TRP A CH2 1 ATOM 732 N N . ILE A 1 91 ? 20.146 -20.458 12.515 1.00 34.10 ? 91 ILE A N 1 ATOM 733 C CA . ILE A 1 91 ? 19.652 -19.108 12.322 1.00 35.11 ? 91 ILE A CA 1 ATOM 734 C C . ILE A 1 91 ? 19.962 -18.289 13.579 1.00 35.34 ? 91 ILE A C 1 ATOM 735 O O . ILE A 1 91 ? 19.855 -18.776 14.708 1.00 36.61 ? 91 ILE A O 1 ATOM 736 C CB . ILE A 1 91 ? 18.130 -19.050 11.975 1.00 35.44 ? 91 ILE A CB 1 ATOM 737 C CG1 . ILE A 1 91 ? 17.701 -17.597 11.740 1.00 33.49 ? 91 ILE A CG1 1 ATOM 738 C CG2 . ILE A 1 91 ? 17.302 -19.685 13.080 1.00 30.56 ? 91 ILE A CG2 1 ATOM 739 C CD1 . ILE A 1 91 ? 16.305 -17.480 11.134 1.00 32.88 ? 91 ILE A CD1 1 ATOM 740 N N . ALA A 1 92 ? 20.368 -17.046 13.357 1.00 36.76 ? 92 ALA A N 1 ATOM 741 C CA . ALA A 1 92 ? 20.708 -16.118 14.426 1.00 37.85 ? 92 ALA A CA 1 ATOM 742 C C . ALA A 1 92 ? 20.003 -14.783 14.226 1.00 38.03 ? 92 ALA A C 1 ATOM 743 O O . ALA A 1 92 ? 20.104 -14.178 13.166 1.00 37.50 ? 92 ALA A O 1 ATOM 744 C CB . ALA A 1 92 ? 22.218 -15.894 14.449 1.00 38.07 ? 92 ALA A CB 1 ATOM 745 N N . CYS A 1 93 ? 19.280 -14.335 15.245 1.00 38.69 ? 93 CYS A N 1 ATOM 746 C CA . CYS A 1 93 ? 18.592 -13.056 15.169 1.00 39.34 ? 93 CYS A CA 1 ATOM 747 C C . CYS A 1 93 ? 18.776 -12.278 16.463 1.00 38.73 ? 93 CYS A C 1 ATOM 748 O O . CYS A 1 93 ? 18.890 -12.866 17.532 1.00 38.08 ? 93 CYS A O 1 ATOM 749 C CB . CYS A 1 93 ? 17.088 -13.255 14.934 1.00 38.44 ? 93 CYS A CB 1 ATOM 750 S SG . CYS A 1 93 ? 16.627 -14.339 13.544 1.00 39.86 ? 93 CYS A SG 1 ATOM 751 N N . ASP A 1 94 ? 18.840 -10.953 16.356 1.00 40.74 ? 94 ASP A N 1 ATOM 752 C CA . ASP A 1 94 ? 18.926 -10.123 17.549 1.00 41.47 ? 94 ASP A CA 1 ATOM 753 C C . ASP A 1 94 ? 17.545 -9.476 17.791 1.00 41.44 ? 94 ASP A C 1 ATOM 754 O O . ASP A 1 94 ? 16.539 -10.033 17.335 1.00 41.04 ? 94 ASP A O 1 ATOM 755 C CB . ASP A 1 94 ? 20.022 -9.057 17.434 1.00 42.66 ? 94 ASP A CB 1 ATOM 756 C CG . ASP A 1 94 ? 19.757 -8.018 16.350 1.00 45.60 ? 94 ASP A CG 1 ATOM 757 O OD1 . ASP A 1 94 ? 18.762 -8.113 15.596 1.00 46.11 ? 94 ASP A OD1 1 ATOM 758 O OD2 . ASP A 1 94 ? 20.580 -7.081 16.259 1.00 49.05 ? 94 ASP A OD2 1 ATOM 759 O OXT . ASP A 1 94 ? 17.440 -8.436 18.447 1.00 41.45 ? 94 ASP A OXT 1 ATOM 760 N N . ARG B 1 1 ? 6.897 5.719 4.760 1.00 45.21 ? 1 ARG B N 1 ATOM 761 C CA . ARG B 1 1 ? 6.565 4.674 3.758 1.00 45.64 ? 1 ARG B CA 1 ATOM 762 C C . ARG B 1 1 ? 6.309 3.351 4.467 1.00 45.55 ? 1 ARG B C 1 ATOM 763 O O . ARG B 1 1 ? 6.634 3.190 5.645 1.00 44.73 ? 1 ARG B O 1 ATOM 764 C CB . ARG B 1 1 ? 7.722 4.515 2.762 1.00 46.22 ? 1 ARG B CB 1 ATOM 765 C CG . ARG B 1 1 ? 8.935 3.810 3.329 1.00 47.58 ? 1 ARG B CG 1 ATOM 766 C CD . ARG B 1 1 ? 10.035 3.697 2.291 1.00 52.20 ? 1 ARG B CD 1 ATOM 767 N NE . ARG B 1 1 ? 11.177 2.921 2.774 1.00 53.51 ? 1 ARG B NE 1 ATOM 768 C CZ . ARG B 1 1 ? 12.071 3.357 3.659 1.00 54.09 ? 1 ARG B CZ 1 ATOM 769 N NH1 . ARG B 1 1 ? 11.977 4.577 4.177 1.00 52.63 ? 1 ARG B NH1 1 ATOM 770 N NH2 . ARG B 1 1 ? 13.069 2.565 4.021 1.00 54.59 ? 1 ARG B NH2 1 ATOM 771 N N . LEU B 1 2 ? 5.708 2.413 3.742 1.00 46.19 ? 2 LEU B N 1 ATOM 772 C CA . LEU B 1 2 ? 5.423 1.099 4.287 1.00 46.96 ? 2 LEU B CA 1 ATOM 773 C C . LEU B 1 2 ? 6.546 0.105 4.012 1.00 47.36 ? 2 LEU B C 1 ATOM 774 O O . LEU B 1 2 ? 6.986 -0.053 2.872 1.00 46.70 ? 2 LEU B O 1 ATOM 775 C CB . LEU B 1 2 ? 4.114 0.537 3.698 1.00 48.73 ? 2 LEU B CB 1 ATOM 776 C CG . LEU B 1 2 ? 2.829 1.112 4.318 1.00 51.29 ? 2 LEU B CG 1 ATOM 777 C CD1 . LEU B 1 2 ? 1.599 0.597 3.590 1.00 52.27 ? 2 LEU B CD1 1 ATOM 778 C CD2 . LEU B 1 2 ? 2.768 0.743 5.792 1.00 52.83 ? 2 LEU B CD2 1 ATOM 779 N N . ILE B 1 3 ? 7.030 -0.539 5.069 1.00 47.24 ? 3 ILE B N 1 ATOM 780 C CA . ILE B 1 3 ? 8.036 -1.572 4.908 1.00 47.80 ? 3 ILE B CA 1 ATOM 781 C C . ILE B 1 3 ? 7.676 -2.820 5.719 1.00 48.27 ? 3 ILE B C 1 ATOM 782 O O . ILE B 1 3 ? 7.017 -2.739 6.762 1.00 46.73 ? 3 ILE B O 1 ATOM 783 C CB . ILE B 1 3 ? 9.457 -1.120 5.354 1.00 47.73 ? 3 ILE B CB 1 ATOM 784 C CG1 . ILE B 1 3 ? 9.459 -0.783 6.844 1.00 47.32 ? 3 ILE B CG1 1 ATOM 785 C CG2 . ILE B 1 3 ? 9.912 0.070 4.524 1.00 46.95 ? 3 ILE B CG2 1 ATOM 786 C CD1 . ILE B 1 3 ? 10.836 -0.498 7.392 1.00 46.93 ? 3 ILE B CD1 1 ATOM 787 N N . HIS B 1 4 ? 8.096 -3.971 5.205 1.00 48.85 ? 4 HIS B N 1 ATOM 788 C CA . HIS B 1 4 ? 7.902 -5.234 5.889 1.00 49.88 ? 4 HIS B CA 1 ATOM 789 C C . HIS B 1 4 ? 9.112 -5.517 6.784 1.00 48.26 ? 4 HIS B C 1 ATOM 790 O O . HIS B 1 4 ? 10.250 -5.532 6.315 1.00 47.89 ? 4 HIS B O 1 ATOM 791 C CB . HIS B 1 4 ? 7.776 -6.385 4.880 1.00 54.57 ? 4 HIS B CB 1 ATOM 792 C CG . HIS B 1 4 ? 6.465 -6.415 4.159 1.00 60.26 ? 4 HIS B CG 1 ATOM 793 N ND1 . HIS B 1 4 ? 5.424 -7.236 4.542 1.00 63.20 ? 4 HIS B ND1 1 ATOM 794 C CD2 . HIS B 1 4 ? 6.023 -5.727 3.078 1.00 61.72 ? 4 HIS B CD2 1 ATOM 795 C CE1 . HIS B 1 4 ? 4.401 -7.055 3.724 1.00 64.70 ? 4 HIS B CE1 1 ATOM 796 N NE2 . HIS B 1 4 ? 4.738 -6.146 2.827 1.00 63.90 ? 4 HIS B NE2 1 ATOM 797 N N . VAL B 1 5 ? 8.869 -5.703 8.076 1.00 45.90 ? 5 VAL B N 1 ATOM 798 C CA . VAL B 1 5 ? 9.949 -6.074 8.977 1.00 45.06 ? 5 VAL B CA 1 ATOM 799 C C . VAL B 1 5 ? 9.449 -7.138 9.945 1.00 43.46 ? 5 VAL B C 1 ATOM 800 O O . VAL B 1 5 ? 8.241 -7.309 10.130 1.00 43.00 ? 5 VAL B O 1 ATOM 801 C CB . VAL B 1 5 ? 10.489 -4.886 9.819 1.00 46.22 ? 5 VAL B CB 1 ATOM 802 C CG1 . VAL B 1 5 ? 11.166 -3.863 8.918 1.00 46.94 ? 5 VAL B CG1 1 ATOM 803 C CG2 . VAL B 1 5 ? 9.366 -4.255 10.614 1.00 47.39 ? 5 VAL B CG2 1 ATOM 804 N N . SER B 1 6 ? 10.380 -7.865 10.545 1.00 40.34 ? 6 SER B N 1 ATOM 805 C CA . SER B 1 6 ? 10.006 -8.844 11.523 1.00 38.48 ? 6 SER B CA 1 ATOM 806 C C . SER B 1 6 ? 10.748 -8.654 12.846 1.00 38.07 ? 6 SER B C 1 ATOM 807 O O . SER B 1 6 ? 11.859 -8.117 12.883 1.00 36.54 ? 6 SER B O 1 ATOM 808 C CB . SER B 1 6 ? 10.339 -10.277 11.020 1.00 37.09 ? 6 SER B CB 1 ATOM 809 O OG . SER B 1 6 ? 9.569 -10.605 9.881 1.00 37.86 ? 6 SER B OG 1 ATOM 810 N N . ARG B 1 7 ? 10.043 -9.003 13.918 1.00 37.13 ? 7 ARG B N 1 ATOM 811 C CA . ARG B 1 7 ? 10.707 -9.152 15.199 1.00 37.09 ? 7 ARG B CA 1 ATOM 812 C C . ARG B 1 7 ? 10.745 -10.696 15.389 1.00 37.48 ? 7 ARG B C 1 ATOM 813 O O . ARG B 1 7 ? 9.766 -11.395 15.112 1.00 36.48 ? 7 ARG B O 1 ATOM 814 C CB . ARG B 1 7 ? 9.935 -8.561 16.365 1.00 37.93 ? 7 ARG B CB 1 ATOM 815 C CG . ARG B 1 7 ? 10.429 -9.020 17.736 1.00 38.49 ? 7 ARG B CG 1 ATOM 816 C CD . ARG B 1 7 ? 9.394 -8.691 18.797 1.00 39.84 ? 7 ARG B CD 1 ATOM 817 N NE . ARG B 1 7 ? 9.732 -9.244 20.104 1.00 41.69 ? 7 ARG B NE 1 ATOM 818 C CZ . ARG B 1 7 ? 8.880 -9.308 21.123 1.00 43.41 ? 7 ARG B CZ 1 ATOM 819 N NH1 . ARG B 1 7 ? 7.643 -8.850 20.981 1.00 44.20 ? 7 ARG B NH1 1 ATOM 820 N NH2 . ARG B 1 7 ? 9.262 -9.827 22.281 1.00 41.27 ? 7 ARG B NH2 1 ATOM 821 N N . CYS B 1 8 ? 11.887 -11.216 15.828 1.00 37.54 ? 8 CYS B N 1 ATOM 822 C CA . CYS B 1 8 ? 11.983 -12.636 16.105 1.00 37.45 ? 8 CYS B CA 1 ATOM 823 C C . CYS B 1 8 ? 12.463 -12.926 17.516 1.00 38.18 ? 8 CYS B C 1 ATOM 824 O O . CYS B 1 8 ? 13.250 -12.178 18.093 1.00 40.26 ? 8 CYS B O 1 ATOM 825 C CB . CYS B 1 8 ? 12.931 -13.340 15.142 1.00 37.74 ? 8 CYS B CB 1 ATOM 826 S SG . CYS B 1 8 ? 12.420 -13.349 13.392 1.00 39.00 ? 8 CYS B SG 1 ATOM 827 N N . GLU B 1 9 ? 11.943 -14.021 18.059 1.00 38.00 ? 9 GLU B N 1 ATOM 828 C CA . GLU B 1 9 ? 12.344 -14.535 19.359 1.00 38.00 ? 9 GLU B CA 1 ATOM 829 C C . GLU B 1 9 ? 12.622 -16.024 19.132 1.00 36.88 ? 9 GLU B C 1 ATOM 830 O O . GLU B 1 9 ? 12.051 -16.640 18.237 1.00 36.94 ? 9 GLU B O 1 ATOM 831 C CB . GLU B 1 9 ? 11.243 -14.363 20.408 1.00 40.03 ? 9 GLU B CB 1 ATOM 832 C CG . GLU B 1 9 ? 10.834 -12.918 20.673 1.00 42.42 ? 9 GLU B CG 1 ATOM 833 C CD . GLU B 1 9 ? 11.968 -12.056 21.192 1.00 42.94 ? 9 GLU B CD 1 ATOM 834 O OE1 . GLU B 1 9 ? 12.948 -12.615 21.725 1.00 45.38 ? 9 GLU B OE1 1 ATOM 835 O OE2 . GLU B 1 9 ? 11.873 -10.815 21.078 1.00 45.27 ? 9 GLU B OE2 1 ATOM 836 N N . MET B 1 10 ? 13.506 -16.614 19.923 1.00 36.46 ? 10 MET B N 1 ATOM 837 C CA . MET B 1 10 ? 13.788 -18.026 19.728 1.00 36.46 ? 10 MET B CA 1 ATOM 838 C C . MET B 1 10 ? 14.266 -18.626 21.029 1.00 35.06 ? 10 MET B C 1 ATOM 839 O O . MET B 1 10 ? 14.632 -17.904 21.944 1.00 35.52 ? 10 MET B O 1 ATOM 840 C CB . MET B 1 10 ? 14.819 -18.205 18.604 1.00 36.30 ? 10 MET B CB 1 ATOM 841 C CG . MET B 1 10 ? 16.210 -17.750 18.970 1.00 36.91 ? 10 MET B CG 1 ATOM 842 S SD . MET B 1 10 ? 17.372 -17.850 17.591 1.00 41.47 ? 10 MET B SD 1 ATOM 843 C CE . MET B 1 10 ? 16.739 -16.544 16.541 1.00 40.02 ? 10 MET B CE 1 ATOM 844 N N . GLY B 1 11 ? 14.232 -19.949 21.118 1.00 35.08 ? 11 GLY B N 1 ATOM 845 C CA . GLY B 1 11 ? 14.655 -20.613 22.333 1.00 35.26 ? 11 GLY B CA 1 ATOM 846 C C . GLY B 1 11 ? 14.778 -22.107 22.157 1.00 36.85 ? 11 GLY B C 1 ATOM 847 O O . GLY B 1 11 ? 14.411 -22.650 21.111 1.00 38.25 ? 11 GLY B O 1 ATOM 848 N N . THR B 1 12 ? 15.330 -22.768 23.167 1.00 37.42 ? 12 THR B N 1 ATOM 849 C CA . THR B 1 12 ? 15.466 -24.216 23.153 1.00 37.91 ? 12 THR B CA 1 ATOM 850 C C . THR B 1 12 ? 15.003 -24.792 24.498 1.00 38.11 ? 12 THR B C 1 ATOM 851 O O . THR B 1 12 ? 14.965 -24.095 25.506 1.00 37.83 ? 12 THR B O 1 ATOM 852 C CB . THR B 1 12 ? 16.929 -24.673 22.929 1.00 38.38 ? 12 THR B CB 1 ATOM 853 O OG1 . THR B 1 12 ? 17.693 -24.436 24.114 1.00 38.93 ? 12 THR B OG1 1 ATOM 854 C CG2 . THR B 1 12 ? 17.550 -23.932 21.754 1.00 36.49 ? 12 THR B CG2 1 ATOM 855 N N . SER B 1 13 ? 14.621 -26.061 24.501 1.00 37.94 ? 13 SER B N 1 ATOM 856 C CA . SER B 1 13 ? 14.223 -26.705 25.741 1.00 39.14 ? 13 SER B CA 1 ATOM 857 C C . SER B 1 13 ? 14.737 -28.139 25.738 1.00 38.96 ? 13 SER B C 1 ATOM 858 O O . SER B 1 13 ? 14.382 -28.950 24.877 1.00 38.66 ? 13 SER B O 1 ATOM 859 C CB . SER B 1 13 ? 12.706 -26.644 25.929 1.00 40.10 ? 13 SER B CB 1 ATOM 860 O OG . SER B 1 13 ? 12.297 -27.431 27.036 1.00 43.70 ? 13 SER B OG 1 ATOM 861 N N . THR B 1 14 ? 15.585 -28.427 26.719 1.00 39.85 ? 14 THR B N 1 ATOM 862 C CA . THR B 1 14 ? 16.223 -29.719 26.853 1.00 41.07 ? 14 THR B CA 1 ATOM 863 C C . THR B 1 14 ? 15.529 -30.661 27.817 1.00 42.27 ? 14 THR B C 1 ATOM 864 O O . THR B 1 14 ? 15.150 -30.282 28.924 1.00 42.33 ? 14 THR B O 1 ATOM 865 C CB . THR B 1 14 ? 17.697 -29.540 27.313 1.00 40.99 ? 14 THR B CB 1 ATOM 866 O OG1 . THR B 1 14 ? 18.433 -28.845 26.300 1.00 42.36 ? 14 THR B OG1 1 ATOM 867 C CG2 . THR B 1 14 ? 18.355 -30.885 27.563 1.00 41.80 ? 14 THR B CG2 1 ATOM 868 N N . HIS B 1 15 ? 15.346 -31.889 27.349 1.00 43.30 ? 15 HIS B N 1 ATOM 869 C CA . HIS B 1 15 ? 14.771 -32.946 28.138 1.00 44.46 ? 15 HIS B CA 1 ATOM 870 C C . HIS B 1 15 ? 15.770 -34.094 28.243 1.00 45.97 ? 15 HIS B C 1 ATOM 871 O O . HIS B 1 15 ? 16.021 -34.820 27.272 1.00 46.24 ? 15 HIS B O 1 ATOM 872 C CB . HIS B 1 15 ? 13.467 -33.457 27.518 1.00 43.75 ? 15 HIS B CB 1 ATOM 873 C CG . HIS B 1 15 ? 12.386 -32.425 27.480 1.00 43.87 ? 15 HIS B CG 1 ATOM 874 N ND1 . HIS B 1 15 ? 11.196 -32.560 28.164 1.00 42.41 ? 15 HIS B ND1 1 ATOM 875 C CD2 . HIS B 1 15 ? 12.323 -31.229 26.847 1.00 43.72 ? 15 HIS B CD2 1 ATOM 876 C CE1 . HIS B 1 15 ? 10.445 -31.493 27.954 1.00 41.78 ? 15 HIS B CE1 1 ATOM 877 N NE2 . HIS B 1 15 ? 11.105 -30.671 27.158 1.00 44.33 ? 15 HIS B NE2 1 ATOM 878 N N . ARG B 1 16 ? 16.380 -34.192 29.424 1.00 47.05 ? 16 ARG B N 1 ATOM 879 C CA . ARG B 1 16 ? 17.282 -35.295 29.754 1.00 48.68 ? 16 ARG B CA 1 ATOM 880 C C . ARG B 1 16 ? 16.433 -36.276 30.584 1.00 48.93 ? 16 ARG B C 1 ATOM 881 O O . ARG B 1 16 ? 16.047 -35.981 31.715 1.00 49.93 ? 16 ARG B O 1 ATOM 882 C CB . ARG B 1 16 ? 18.485 -34.803 30.539 1.00 49.54 ? 16 ARG B CB 1 ATOM 883 C CG . ARG B 1 16 ? 19.497 -34.089 29.658 1.00 53.60 ? 16 ARG B CG 1 ATOM 884 C CD . ARG B 1 16 ? 20.762 -33.719 30.420 1.00 56.42 ? 16 ARG B CD 1 ATOM 885 N NE . ARG B 1 16 ? 21.750 -33.100 29.538 1.00 61.31 ? 16 ARG B NE 1 ATOM 886 C CZ . ARG B 1 16 ? 23.021 -32.879 29.864 1.00 64.18 ? 16 ARG B CZ 1 ATOM 887 N NH1 . ARG B 1 16 ? 23.474 -33.228 31.063 1.00 65.37 ? 16 ARG B NH1 1 ATOM 888 N NH2 . ARG B 1 16 ? 23.842 -32.308 28.989 1.00 64.39 ? 16 ARG B NH2 1 ATOM 889 N N . CYS B 1 17 ? 16.152 -37.442 30.006 1.00 47.72 ? 17 CYS B N 1 ATOM 890 C CA . CYS B 1 17 ? 15.280 -38.419 30.651 1.00 49.16 ? 17 CYS B CA 1 ATOM 891 C C . CYS B 1 17 ? 16.015 -39.644 31.173 1.00 49.48 ? 17 CYS B C 1 ATOM 892 O O . CYS B 1 17 ? 15.832 -40.045 32.327 1.00 50.88 ? 17 CYS B O 1 ATOM 893 C CB . CYS B 1 17 ? 14.183 -38.841 29.665 1.00 48.70 ? 17 CYS B CB 1 ATOM 894 S SG . CYS B 1 17 ? 13.548 -37.475 28.636 1.00 50.26 ? 17 CYS B SG 1 ATOM 895 N N . TRP B 1 18 ? 16.835 -40.240 30.313 1.00 48.23 ? 18 TRP B N 1 ATOM 896 C CA . TRP B 1 18 ? 17.648 -41.411 30.650 1.00 47.98 ? 18 TRP B CA 1 ATOM 897 C C . TRP B 1 18 ? 18.315 -41.223 32.016 1.00 48.11 ? 18 TRP B C 1 ATOM 898 O O . TRP B 1 18 ? 18.783 -40.130 32.336 1.00 48.53 ? 18 TRP B O 1 ATOM 899 C CB . TRP B 1 18 ? 18.736 -41.592 29.571 1.00 45.05 ? 18 TRP B CB 1 ATOM 900 C CG . TRP B 1 18 ? 19.630 -42.788 29.751 1.00 43.35 ? 18 TRP B CG 1 ATOM 901 C CD1 . TRP B 1 18 ? 19.397 -44.065 29.319 1.00 41.49 ? 18 TRP B CD1 1 ATOM 902 C CD2 . TRP B 1 18 ? 20.907 -42.811 30.398 1.00 40.75 ? 18 TRP B CD2 1 ATOM 903 N NE1 . TRP B 1 18 ? 20.453 -44.875 29.651 1.00 40.50 ? 18 TRP B NE1 1 ATOM 904 C CE2 . TRP B 1 18 ? 21.393 -44.133 30.317 1.00 40.46 ? 18 TRP B CE2 1 ATOM 905 C CE3 . TRP B 1 18 ? 21.689 -41.840 31.037 1.00 42.03 ? 18 TRP B CE3 1 ATOM 906 C CZ2 . TRP B 1 18 ? 22.630 -44.513 30.851 1.00 39.79 ? 18 TRP B CZ2 1 ATOM 907 C CZ3 . TRP B 1 18 ? 22.919 -42.215 31.569 1.00 41.36 ? 18 TRP B CZ3 1 ATOM 908 C CH2 . TRP B 1 18 ? 23.374 -43.543 31.471 1.00 40.67 ? 18 TRP B CH2 1 ATOM 909 N N . PRO B 1 19 ? 18.343 -42.275 32.859 1.00 48.37 ? 19 PRO B N 1 ATOM 910 C CA . PRO B 1 19 ? 17.866 -43.666 32.799 1.00 48.07 ? 19 PRO B CA 1 ATOM 911 C C . PRO B 1 19 ? 16.392 -43.906 32.481 1.00 47.93 ? 19 PRO B C 1 ATOM 912 O O . PRO B 1 19 ? 16.025 -45.017 32.101 1.00 48.99 ? 19 PRO B O 1 ATOM 913 C CB . PRO B 1 19 ? 18.200 -44.215 34.180 1.00 48.78 ? 19 PRO B CB 1 ATOM 914 C CG . PRO B 1 19 ? 19.414 -43.480 34.562 1.00 48.64 ? 19 PRO B CG 1 ATOM 915 C CD . PRO B 1 19 ? 19.181 -42.073 34.059 1.00 48.49 ? 19 PRO B CD 1 ATOM 916 N N . ARG B 1 20 ? 15.534 -42.917 32.665 1.00 47.52 ? 20 ARG B N 1 ATOM 917 C CA . ARG B 1 20 ? 14.127 -43.148 32.378 1.00 48.67 ? 20 ARG B CA 1 ATOM 918 C C . ARG B 1 20 ? 13.752 -42.775 30.949 1.00 49.44 ? 20 ARG B C 1 ATOM 919 O O . ARG B 1 20 ? 14.462 -42.010 30.298 1.00 50.33 ? 20 ARG B O 1 ATOM 920 C CB . ARG B 1 20 ? 13.256 -42.270 33.330 1.00 46.51 ? 20 ARG B CB 1 ATOM 921 N N . PRO B 1 21 ? 12.708 -43.423 30.398 1.00 50.07 ? 21 PRO B N 1 ATOM 922 C CA . PRO B 1 21 ? 12.359 -43.047 29.022 1.00 49.84 ? 21 PRO B CA 1 ATOM 923 C C . PRO B 1 21 ? 11.568 -41.705 29.147 1.00 49.49 ? 21 PRO B C 1 ATOM 924 O O . PRO B 1 21 ? 10.825 -41.479 30.123 1.00 52.25 ? 21 PRO B O 1 ATOM 925 C CB . PRO B 1 21 ? 11.399 -44.146 28.561 1.00 50.61 ? 21 PRO B CB 1 ATOM 926 C CG . PRO B 1 21 ? 11.670 -45.311 29.470 1.00 52.66 ? 21 PRO B CG 1 ATOM 927 C CD . PRO B 1 21 ? 12.051 -44.686 30.796 1.00 52.21 ? 21 PRO B CD 1 ATOM 928 N N . CYS B 1 22 ? 11.749 -40.823 28.169 1.00 46.95 ? 22 CYS B N 1 ATOM 929 C CA . CYS B 1 22 ? 11.029 -39.558 28.143 1.00 45.78 ? 22 CYS B CA 1 ATOM 930 C C . CYS B 1 22 ? 9.532 -39.874 28.077 1.00 44.75 ? 22 CYS B C 1 ATOM 931 O O . CYS B 1 22 ? 9.139 -40.911 27.546 1.00 42.67 ? 22 CYS B O 1 ATOM 932 C CB . CYS B 1 22 ? 11.429 -38.752 26.895 1.00 45.37 ? 22 CYS B CB 1 ATOM 933 S SG . CYS B 1 22 ? 13.204 -38.355 26.831 1.00 45.31 ? 22 CYS B SG 1 ATOM 934 N N . ASP B 1 23 ? 8.709 -39.001 28.647 1.00 45.25 ? 23 ASP B N 1 ATOM 935 C CA . ASP B 1 23 ? 7.262 -39.206 28.599 1.00 47.22 ? 23 ASP B CA 1 ATOM 936 C C . ASP B 1 23 ? 6.788 -39.193 27.142 1.00 47.79 ? 23 ASP B C 1 ATOM 937 O O . ASP B 1 23 ? 7.439 -38.614 26.265 1.00 47.76 ? 23 ASP B O 1 ATOM 938 C CB . ASP B 1 23 ? 6.533 -38.095 29.370 1.00 49.02 ? 23 ASP B CB 1 ATOM 939 C CG . ASP B 1 23 ? 7.065 -37.925 30.784 1.00 50.85 ? 23 ASP B CG 1 ATOM 940 O OD1 . ASP B 1 23 ? 7.140 -36.768 31.257 1.00 50.68 ? 23 ASP B OD1 1 ATOM 941 O OD2 . ASP B 1 23 ? 7.407 -38.944 31.421 1.00 52.19 ? 23 ASP B OD2 1 ATOM 942 N N . THR B 1 24 ? 5.659 -39.853 26.900 1.00 47.74 ? 24 THR B N 1 ATOM 943 C CA . THR B 1 24 ? 5.055 -39.926 25.573 1.00 47.77 ? 24 THR B CA 1 ATOM 944 C C . THR B 1 24 ? 4.870 -38.526 24.980 1.00 48.13 ? 24 THR B C 1 ATOM 945 O O . THR B 1 24 ? 4.995 -38.333 23.765 1.00 47.05 ? 24 THR B O 1 ATOM 946 C CB . THR B 1 24 ? 3.697 -40.659 25.632 1.00 47.41 ? 24 THR B CB 1 ATOM 947 O OG1 . THR B 1 24 ? 3.918 -42.019 26.021 1.00 51.23 ? 24 THR B OG1 1 ATOM 948 C CG2 . THR B 1 24 ? 3.015 -40.647 24.269 1.00 47.51 ? 24 THR B CG2 1 ATOM 949 N N . SER B 1 25 ? 4.583 -37.544 25.827 1.00 47.56 ? 25 SER B N 1 ATOM 950 C CA . SER B 1 25 ? 4.435 -36.181 25.346 1.00 48.25 ? 25 SER B CA 1 ATOM 951 C C . SER B 1 25 ? 4.836 -35.137 26.379 1.00 47.42 ? 25 SER B C 1 ATOM 952 O O . SER B 1 25 ? 4.962 -35.439 27.561 1.00 48.71 ? 25 SER B O 1 ATOM 953 C CB . SER B 1 25 ? 2.974 -35.915 24.945 1.00 48.82 ? 25 SER B CB 1 ATOM 954 O OG . SER B 1 25 ? 2.123 -35.943 26.072 1.00 52.12 ? 25 SER B OG 1 ATOM 955 N N . SER B 1 26 ? 5.088 -33.918 25.909 1.00 47.48 ? 26 SER B N 1 ATOM 956 C CA . SER B 1 26 ? 5.341 -32.801 26.807 1.00 47.05 ? 26 SER B CA 1 ATOM 957 C C . SER B 1 26 ? 4.733 -31.529 26.214 1.00 47.25 ? 26 SER B C 1 ATOM 958 O O . SER B 1 26 ? 4.710 -31.343 24.996 1.00 47.67 ? 26 SER B O 1 ATOM 959 C CB . SER B 1 26 ? 6.826 -32.586 27.093 1.00 47.78 ? 26 SER B CB 1 ATOM 960 O OG . SER B 1 26 ? 7.543 -32.265 25.916 1.00 49.79 ? 26 SER B OG 1 ATOM 961 N N . ASP B 1 27 ? 4.223 -30.667 27.088 1.00 47.95 ? 27 ASP B N 1 ATOM 962 C CA . ASP B 1 27 ? 3.629 -29.397 26.678 1.00 49.53 ? 27 ASP B CA 1 ATOM 963 C C . ASP B 1 27 ? 4.123 -28.331 27.646 1.00 51.89 ? 27 ASP B C 1 ATOM 964 O O . ASP B 1 27 ? 3.794 -28.359 28.829 1.00 54.24 ? 27 ASP B O 1 ATOM 965 C CB . ASP B 1 27 ? 2.110 -29.495 26.695 1.00 49.16 ? 27 ASP B CB 1 ATOM 966 C CG . ASP B 1 27 ? 1.583 -30.420 25.621 1.00 49.22 ? 27 ASP B CG 1 ATOM 967 O OD1 . ASP B 1 27 ? 1.489 -29.988 24.454 1.00 50.67 ? 27 ASP B OD1 1 ATOM 968 O OD2 . ASP B 1 27 ? 1.274 -31.588 25.939 1.00 50.61 ? 27 ASP B OD2 1 ATOM 969 N N . GLU B 1 28 ? 4.909 -27.385 27.138 1.00 52.46 ? 28 GLU B N 1 ATOM 970 C CA . GLU B 1 28 ? 5.505 -26.361 27.981 1.00 52.09 ? 28 GLU B CA 1 ATOM 971 C C . GLU B 1 28 ? 5.083 -24.955 27.629 1.00 52.09 ? 28 GLU B C 1 ATOM 972 O O . GLU B 1 28 ? 5.173 -24.541 26.474 1.00 51.89 ? 28 GLU B O 1 ATOM 973 C CB . GLU B 1 28 ? 7.036 -26.464 27.888 1.00 53.35 ? 28 GLU B CB 1 ATOM 974 C CG . GLU B 1 28 ? 7.774 -25.315 28.551 1.00 54.67 ? 28 GLU B CG 1 ATOM 975 C CD . GLU B 1 28 ? 9.272 -25.410 28.359 1.00 56.98 ? 28 GLU B CD 1 ATOM 976 O OE1 . GLU B 1 28 ? 10.007 -24.572 28.927 1.00 57.34 ? 28 GLU B OE1 1 ATOM 977 O OE2 . GLU B 1 28 ? 9.714 -26.326 27.630 1.00 57.48 ? 28 GLU B OE2 1 ATOM 978 N N . PRO B 1 29 ? 4.601 -24.193 28.621 1.00 52.83 ? 29 PRO B N 1 ATOM 979 C CA . PRO B 1 29 ? 4.183 -22.818 28.321 1.00 51.56 ? 29 PRO B CA 1 ATOM 980 C C . PRO B 1 29 ? 5.370 -21.900 28.081 1.00 50.17 ? 29 PRO B C 1 ATOM 981 O O . PRO B 1 29 ? 6.284 -21.836 28.907 1.00 49.28 ? 29 PRO B O 1 ATOM 982 C CB . PRO B 1 29 ? 3.385 -22.393 29.553 1.00 51.63 ? 29 PRO B CB 1 ATOM 983 C CG . PRO B 1 29 ? 3.831 -23.311 30.641 1.00 54.57 ? 29 PRO B CG 1 ATOM 984 C CD . PRO B 1 29 ? 4.226 -24.605 29.989 1.00 54.15 ? 29 PRO B CD 1 ATOM 985 N N . ILE B 1 30 ? 5.349 -21.200 26.947 1.00 48.73 ? 30 ILE B N 1 ATOM 986 C CA . ILE B 1 30 ? 6.398 -20.248 26.602 1.00 47.56 ? 30 ILE B CA 1 ATOM 987 C C . ILE B 1 30 ? 5.773 -18.853 26.519 1.00 46.98 ? 30 ILE B C 1 ATOM 988 O O . ILE B 1 30 ? 4.741 -18.657 25.865 1.00 45.85 ? 30 ILE B O 1 ATOM 989 C CB . ILE B 1 30 ? 7.042 -20.581 25.215 1.00 47.56 ? 30 ILE B CB 1 ATOM 990 C CG1 . ILE B 1 30 ? 7.610 -22.006 25.221 1.00 47.16 ? 30 ILE B CG1 1 ATOM 991 C CG2 . ILE B 1 30 ? 8.144 -19.580 24.897 1.00 46.03 ? 30 ILE B CG2 1 ATOM 992 C CD1 . ILE B 1 30 ? 8.820 -22.205 26.112 1.00 44.51 ? 30 ILE B CD1 1 ATOM 993 N N . SER B 1 31 ? 6.394 -17.896 27.200 1.00 46.74 ? 31 SER B N 1 ATOM 994 C CA . SER B 1 31 ? 5.917 -16.527 27.173 1.00 48.39 ? 31 SER B CA 1 ATOM 995 C C . SER B 1 31 ? 6.835 -15.616 26.357 1.00 48.59 ? 31 SER B C 1 ATOM 996 O O . SER B 1 31 ? 8.053 -15.778 26.378 1.00 48.69 ? 31 SER B O 1 ATOM 997 C CB . SER B 1 31 ? 5.842 -15.952 28.607 1.00 47.66 ? 31 SER B CB 1 ATOM 998 O OG . SER B 1 31 ? 4.773 -16.528 29.341 1.00 49.03 ? 31 SER B OG 1 ATOM 999 N N . PHE B 1 32 ? 6.229 -14.702 25.601 1.00 48.91 ? 32 PHE B N 1 ATOM 1000 C CA . PHE B 1 32 ? 7.011 -13.690 24.909 1.00 50.66 ? 32 PHE B CA 1 ATOM 1001 C C . PHE B 1 32 ? 6.919 -12.386 25.732 1.00 51.61 ? 32 PHE B C 1 ATOM 1002 O O . PHE B 1 32 ? 5.822 -11.928 26.070 1.00 52.92 ? 32 PHE B O 1 ATOM 1003 C CB . PHE B 1 32 ? 6.467 -13.357 23.505 1.00 48.17 ? 32 PHE B CB 1 ATOM 1004 C CG . PHE B 1 32 ? 6.313 -14.550 22.611 1.00 47.48 ? 32 PHE B CG 1 ATOM 1005 C CD1 . PHE B 1 32 ? 7.364 -15.436 22.398 1.00 46.29 ? 32 PHE B CD1 1 ATOM 1006 C CD2 . PHE B 1 32 ? 5.107 -14.783 21.969 1.00 45.78 ? 32 PHE B CD2 1 ATOM 1007 C CE1 . PHE B 1 32 ? 7.204 -16.533 21.560 1.00 45.55 ? 32 PHE B CE1 1 ATOM 1008 C CE2 . PHE B 1 32 ? 4.942 -15.874 21.131 1.00 45.59 ? 32 PHE B CE2 1 ATOM 1009 C CZ . PHE B 1 32 ? 5.991 -16.749 20.924 1.00 46.12 ? 32 PHE B CZ 1 ATOM 1010 N N . TRP B 1 33 ? 8.066 -11.820 26.085 1.00 52.79 ? 33 TRP B N 1 ATOM 1011 C CA . TRP B 1 33 ? 8.058 -10.526 26.745 1.00 55.70 ? 33 TRP B CA 1 ATOM 1012 C C . TRP B 1 33 ? 9.079 -9.593 26.103 1.00 54.02 ? 33 TRP B C 1 ATOM 1013 O O . TRP B 1 33 ? 10.274 -9.888 26.064 1.00 53.63 ? 33 TRP B O 1 ATOM 1014 C CB . TRP B 1 33 ? 8.307 -10.604 28.239 1.00 60.47 ? 33 TRP B CB 1 ATOM 1015 C CG . TRP B 1 33 ? 7.784 -9.368 28.894 1.00 66.71 ? 33 TRP B CG 1 ATOM 1016 C CD1 . TRP B 1 33 ? 8.509 -8.316 29.376 1.00 67.49 ? 33 TRP B CD1 1 ATOM 1017 C CD2 . TRP B 1 33 ? 6.405 -9.036 29.099 1.00 69.40 ? 33 TRP B CD2 1 ATOM 1018 N NE1 . TRP B 1 33 ? 7.665 -7.347 29.867 1.00 69.77 ? 33 TRP B NE1 1 ATOM 1019 C CE2 . TRP B 1 33 ? 6.369 -7.765 29.712 1.00 70.75 ? 33 TRP B CE2 1 ATOM 1020 C CE3 . TRP B 1 33 ? 5.196 -9.690 28.823 1.00 71.42 ? 33 TRP B CE3 1 ATOM 1021 C CZ2 . TRP B 1 33 ? 5.170 -7.133 30.056 1.00 72.03 ? 33 TRP B CZ2 1 ATOM 1022 C CZ3 . TRP B 1 33 ? 4.003 -9.062 29.165 1.00 72.66 ? 33 TRP B CZ3 1 ATOM 1023 C CH2 . TRP B 1 33 ? 4.001 -7.796 29.778 1.00 72.87 ? 33 TRP B CH2 1 ATOM 1024 N N . PRO B 1 34 ? 8.609 -8.462 25.563 1.00 53.20 ? 34 PRO B N 1 ATOM 1025 C CA . PRO B 1 34 ? 7.182 -8.099 25.549 1.00 52.87 ? 34 PRO B CA 1 ATOM 1026 C C . PRO B 1 34 ? 6.397 -8.841 24.480 1.00 52.85 ? 34 PRO B C 1 ATOM 1027 O O . PRO B 1 34 ? 6.979 -9.470 23.594 1.00 52.93 ? 34 PRO B O 1 ATOM 1028 C CB . PRO B 1 34 ? 7.197 -6.598 25.246 1.00 52.55 ? 34 PRO B CB 1 ATOM 1029 C CG . PRO B 1 34 ? 8.476 -6.379 24.521 1.00 54.15 ? 34 PRO B CG 1 ATOM 1030 C CD . PRO B 1 34 ? 9.459 -7.343 25.116 1.00 53.03 ? 34 PRO B CD 1 ATOM 1031 N N . PRO B 1 35 ? 5.056 -8.804 24.568 1.00 52.50 ? 35 PRO B N 1 ATOM 1032 C CA . PRO B 1 35 ? 4.194 -9.476 23.593 1.00 52.93 ? 35 PRO B CA 1 ATOM 1033 C C . PRO B 1 35 ? 4.447 -8.896 22.192 1.00 52.25 ? 35 PRO B C 1 ATOM 1034 O O . PRO B 1 35 ? 4.805 -7.725 22.052 1.00 52.30 ? 35 PRO B O 1 ATOM 1035 C CB . PRO B 1 35 ? 2.786 -9.094 24.055 1.00 52.37 ? 35 PRO B CB 1 ATOM 1036 C CG . PRO B 1 35 ? 2.924 -8.996 25.521 1.00 52.94 ? 35 PRO B CG 1 ATOM 1037 C CD . PRO B 1 35 ? 4.273 -8.349 25.737 1.00 53.04 ? 35 PRO B CD 1 ATOM 1038 N N . PHE B 1 36 ? 4.263 -9.728 21.172 1.00 52.31 ? 36 PHE B N 1 ATOM 1039 C CA . PHE B 1 36 ? 4.393 -9.288 19.792 1.00 52.53 ? 36 PHE B CA 1 ATOM 1040 C C . PHE B 1 36 ? 3.255 -8.310 19.463 1.00 54.17 ? 36 PHE B C 1 ATOM 1041 O O . PHE B 1 36 ? 2.204 -8.324 20.105 1.00 54.42 ? 36 PHE B O 1 ATOM 1042 C CB . PHE B 1 36 ? 4.283 -10.483 18.826 1.00 49.48 ? 36 PHE B CB 1 ATOM 1043 C CG . PHE B 1 36 ? 5.552 -11.275 18.691 1.00 48.55 ? 36 PHE B CG 1 ATOM 1044 C CD1 . PHE B 1 36 ? 5.827 -12.329 19.553 1.00 47.25 ? 36 PHE B CD1 1 ATOM 1045 C CD2 . PHE B 1 36 ? 6.471 -10.970 17.694 1.00 46.57 ? 36 PHE B CD2 1 ATOM 1046 C CE1 . PHE B 1 36 ? 6.994 -13.071 19.421 1.00 47.38 ? 36 PHE B CE1 1 ATOM 1047 C CE2 . PHE B 1 36 ? 7.642 -11.708 17.558 1.00 46.92 ? 36 PHE B CE2 1 ATOM 1048 C CZ . PHE B 1 36 ? 7.901 -12.762 18.417 1.00 46.21 ? 36 PHE B CZ 1 ATOM 1049 N N . GLU B 1 37 ? 3.488 -7.452 18.473 1.00 56.13 ? 37 GLU B N 1 ATOM 1050 C CA . GLU B 1 37 ? 2.458 -6.516 18.026 1.00 58.36 ? 37 GLU B CA 1 ATOM 1051 C C . GLU B 1 37 ? 1.426 -7.302 17.220 1.00 58.56 ? 37 GLU B C 1 ATOM 1052 O O . GLU B 1 37 ? 0.229 -7.019 17.284 1.00 58.80 ? 37 GLU B O 1 ATOM 1053 C CB . GLU B 1 37 ? 3.064 -5.422 17.150 1.00 60.25 ? 37 GLU B CB 1 ATOM 1054 C CG . GLU B 1 37 ? 3.849 -4.386 17.929 1.00 63.92 ? 37 GLU B CG 1 ATOM 1055 C CD . GLU B 1 37 ? 2.951 -3.509 18.776 1.00 66.64 ? 37 GLU B CD 1 ATOM 1056 O OE1 . GLU B 1 37 ? 3.123 -3.496 20.015 1.00 66.35 ? 37 GLU B OE1 1 ATOM 1057 O OE2 . GLU B 1 37 ? 2.071 -2.833 18.197 1.00 68.53 ? 37 GLU B OE2 1 ATOM 1058 N N . ASN B 1 38 ? 1.913 -8.278 16.457 1.00 57.91 ? 38 ASN B N 1 ATOM 1059 C CA . ASN B 1 38 ? 1.054 -9.145 15.661 1.00 57.01 ? 38 ASN B CA 1 ATOM 1060 C C . ASN B 1 38 ? 1.244 -10.595 16.111 1.00 55.78 ? 38 ASN B C 1 ATOM 1061 O O . ASN B 1 38 ? 2.265 -10.929 16.703 1.00 54.58 ? 38 ASN B O 1 ATOM 1062 C CB . ASN B 1 38 ? 1.440 -9.048 14.174 1.00 58.00 ? 38 ASN B CB 1 ATOM 1063 C CG . ASN B 1 38 ? 1.219 -7.656 13.603 1.00 61.07 ? 38 ASN B CG 1 ATOM 1064 O OD1 . ASN B 1 38 ? 1.143 -6.669 14.343 1.00 62.08 ? 38 ASN B OD1 1 ATOM 1065 N ND2 . ASN B 1 38 ? 1.130 -7.568 12.279 1.00 60.45 ? 38 ASN B ND2 1 ATOM 1066 N N . THR B 1 39 ? 0.248 -11.446 15.866 1.00 54.14 ? 39 THR B N 1 ATOM 1067 C CA . THR B 1 39 ? 0.397 -12.874 16.184 1.00 52.38 ? 39 THR B CA 1 ATOM 1068 C C . THR B 1 39 ? 1.544 -13.392 15.301 1.00 49.79 ? 39 THR B C 1 ATOM 1069 O O . THR B 1 39 ? 1.479 -13.346 14.069 1.00 49.31 ? 39 THR B O 1 ATOM 1070 C CB . THR B 1 39 ? -0.883 -13.657 15.876 1.00 52.91 ? 39 THR B CB 1 ATOM 1071 O OG1 . THR B 1 39 ? -1.930 -13.172 16.727 1.00 54.75 ? 39 THR B OG1 1 ATOM 1072 C CG2 . THR B 1 39 ? -0.673 -15.140 16.146 1.00 51.70 ? 39 THR B CG2 1 ATOM 1073 N N . PRO B 1 40 ? 2.608 -13.903 15.926 1.00 47.11 ? 40 PRO B N 1 ATOM 1074 C CA . PRO B 1 40 ? 3.717 -14.403 15.116 1.00 45.04 ? 40 PRO B CA 1 ATOM 1075 C C . PRO B 1 40 ? 3.481 -15.787 14.573 1.00 43.05 ? 40 PRO B C 1 ATOM 1076 O O . PRO B 1 40 ? 2.565 -16.466 15.017 1.00 43.09 ? 40 PRO B O 1 ATOM 1077 C CB . PRO B 1 40 ? 4.880 -14.431 16.127 1.00 45.47 ? 40 PRO B CB 1 ATOM 1078 C CG . PRO B 1 40 ? 4.198 -14.790 17.426 1.00 45.46 ? 40 PRO B CG 1 ATOM 1079 C CD . PRO B 1 40 ? 2.854 -14.083 17.377 1.00 46.67 ? 40 PRO B CD 1 ATOM 1080 N N . ASN B 1 41 ? 4.268 -16.165 13.568 1.00 41.67 ? 41 ASN B N 1 ATOM 1081 C CA . ASN B 1 41 ? 4.280 -17.559 13.148 1.00 41.77 ? 41 ASN B CA 1 ATOM 1082 C C . ASN B 1 41 ? 5.366 -18.210 14.053 1.00 40.88 ? 41 ASN B C 1 ATOM 1083 O O . ASN B 1 41 ? 6.319 -17.547 14.468 1.00 40.66 ? 41 ASN B O 1 ATOM 1084 C CB . ASN B 1 41 ? 4.710 -17.721 11.693 1.00 47.39 ? 41 ASN B CB 1 ATOM 1085 C CG . ASN B 1 41 ? 3.613 -17.313 10.735 1.00 52.57 ? 41 ASN B CG 1 ATOM 1086 O OD1 . ASN B 1 41 ? 2.430 -17.340 11.087 1.00 57.41 ? 41 ASN B OD1 1 ATOM 1087 N ND2 . ASN B 1 41 ? 3.988 -16.949 9.515 1.00 55.44 ? 41 ASN B ND2 1 ATOM 1088 N N . VAL B 1 42 ? 5.195 -19.483 14.390 1.00 39.44 ? 42 VAL B N 1 ATOM 1089 C CA . VAL B 1 42 ? 6.191 -20.172 15.189 1.00 37.49 ? 42 VAL B CA 1 ATOM 1090 C C . VAL B 1 42 ? 6.446 -21.543 14.583 1.00 38.34 ? 42 VAL B C 1 ATOM 1091 O O . VAL B 1 42 ? 5.511 -22.202 14.138 1.00 39.14 ? 42 VAL B O 1 ATOM 1092 C CB . VAL B 1 42 ? 5.717 -20.403 16.663 1.00 36.31 ? 42 VAL B CB 1 ATOM 1093 C CG1 . VAL B 1 42 ? 6.860 -20.981 17.501 1.00 35.89 ? 42 VAL B CG1 1 ATOM 1094 C CG2 . VAL B 1 42 ? 5.209 -19.105 17.261 1.00 35.01 ? 42 VAL B CG2 1 ATOM 1095 N N . ILE B 1 43 ? 7.716 -21.943 14.506 1.00 37.63 ? 43 ILE B N 1 ATOM 1096 C CA . ILE B 1 43 ? 8.051 -23.292 14.046 1.00 37.07 ? 43 ILE B CA 1 ATOM 1097 C C . ILE B 1 43 ? 8.971 -23.950 15.073 1.00 36.79 ? 43 ILE B C 1 ATOM 1098 O O . ILE B 1 43 ? 9.749 -23.275 15.753 1.00 38.95 ? 43 ILE B O 1 ATOM 1099 C CB . ILE B 1 43 ? 8.711 -23.352 12.659 1.00 37.05 ? 43 ILE B CB 1 ATOM 1100 C CG1 . ILE B 1 43 ? 10.021 -22.557 12.652 1.00 36.44 ? 43 ILE B CG1 1 ATOM 1101 C CG2 . ILE B 1 43 ? 7.740 -22.848 11.602 1.00 35.80 ? 43 ILE B CG2 1 ATOM 1102 C CD1 . ILE B 1 43 ? 10.707 -22.548 11.289 1.00 34.37 ? 43 ILE B CD1 1 ATOM 1103 N N . VAL B 1 44 ? 8.887 -25.275 15.152 1.00 35.30 ? 44 VAL B N 1 ATOM 1104 C CA . VAL B 1 44 ? 9.646 -26.063 16.117 1.00 35.07 ? 44 VAL B CA 1 ATOM 1105 C C . VAL B 1 44 ? 10.388 -27.212 15.455 1.00 34.14 ? 44 VAL B C 1 ATOM 1106 O O . VAL B 1 44 ? 9.902 -27.804 14.498 1.00 32.97 ? 44 VAL B O 1 ATOM 1107 C CB . VAL B 1 44 ? 8.657 -26.684 17.181 1.00 34.01 ? 44 VAL B CB 1 ATOM 1108 C CG1 . VAL B 1 44 ? 9.429 -27.412 18.279 1.00 33.98 ? 44 VAL B CG1 1 ATOM 1109 C CG2 . VAL B 1 44 ? 7.784 -25.588 17.769 1.00 32.67 ? 44 VAL B CG2 1 ATOM 1110 N N . SER B 1 45 ? 11.590 -27.492 15.945 1.00 34.69 ? 45 SER B N 1 ATOM 1111 C CA . SER B 1 45 ? 12.362 -28.623 15.449 1.00 36.11 ? 45 SER B CA 1 ATOM 1112 C C . SER B 1 45 ? 13.145 -29.268 16.597 1.00 36.62 ? 45 SER B C 1 ATOM 1113 O O . SER B 1 45 ? 12.886 -28.987 17.770 1.00 37.18 ? 45 SER B O 1 ATOM 1114 C CB . SER B 1 45 ? 13.323 -28.211 14.336 1.00 36.31 ? 45 SER B CB 1 ATOM 1115 O OG . SER B 1 45 ? 13.887 -29.363 13.730 1.00 38.13 ? 45 SER B OG 1 ATOM 1116 N N . PHE B 1 46 ? 14.093 -30.137 16.256 1.00 35.25 ? 46 PHE B N 1 ATOM 1117 C CA . PHE B 1 46 ? 14.906 -30.804 17.256 1.00 34.89 ? 46 PHE B CA 1 ATOM 1118 C C . PHE B 1 46 ? 16.370 -30.409 17.139 1.00 35.85 ? 46 PHE B C 1 ATOM 1119 O O . PHE B 1 46 ? 16.950 -30.431 16.056 1.00 37.23 ? 46 PHE B O 1 ATOM 1120 C CB . PHE B 1 46 ? 14.786 -32.332 17.116 1.00 33.92 ? 46 PHE B CB 1 ATOM 1121 C CG . PHE B 1 46 ? 13.417 -32.868 17.444 1.00 36.32 ? 46 PHE B CG 1 ATOM 1122 C CD1 . PHE B 1 46 ? 13.095 -33.264 18.740 1.00 34.57 ? 46 PHE B CD1 1 ATOM 1123 C CD2 . PHE B 1 46 ? 12.442 -32.953 16.456 1.00 34.04 ? 46 PHE B CD2 1 ATOM 1124 C CE1 . PHE B 1 46 ? 11.825 -33.743 19.036 1.00 36.12 ? 46 PHE B CE1 1 ATOM 1125 C CE2 . PHE B 1 46 ? 11.171 -33.428 16.749 1.00 34.15 ? 46 PHE B CE2 1 ATOM 1126 C CZ . PHE B 1 46 ? 10.860 -33.821 18.035 1.00 34.79 ? 46 PHE B CZ 1 ATOM 1127 N N . GLY B 1 47 ? 16.945 -30.015 18.267 1.00 36.48 ? 47 GLY B N 1 ATOM 1128 C CA . GLY B 1 47 ? 18.354 -29.663 18.317 1.00 36.10 ? 47 GLY B CA 1 ATOM 1129 C C . GLY B 1 47 ? 19.152 -30.871 18.790 1.00 35.79 ? 47 GLY B C 1 ATOM 1130 O O . GLY B 1 47 ? 20.340 -30.997 18.480 1.00 35.47 ? 47 GLY B O 1 ATOM 1131 N N . MET B 1 48 ? 18.524 -31.764 19.547 1.00 34.68 ? 48 MET B N 1 ATOM 1132 C CA . MET B 1 48 ? 19.237 -32.955 20.004 1.00 34.83 ? 48 MET B CA 1 ATOM 1133 C C . MET B 1 48 ? 18.279 -34.133 20.075 1.00 35.13 ? 48 MET B C 1 ATOM 1134 O O . MET B 1 48 ? 17.096 -33.953 20.363 1.00 37.03 ? 48 MET B O 1 ATOM 1135 C CB . MET B 1 48 ? 19.937 -32.681 21.348 1.00 35.18 ? 48 MET B CB 1 ATOM 1136 C CG . MET B 1 48 ? 20.588 -33.888 22.042 1.00 34.35 ? 48 MET B CG 1 ATOM 1137 S SD . MET B 1 48 ? 19.479 -34.885 23.073 1.00 36.22 ? 48 MET B SD 1 ATOM 1138 C CE . MET B 1 48 ? 19.310 -33.775 24.470 1.00 29.71 ? 48 MET B CE 1 ATOM 1139 N N . LEU B 1 49 ? 18.787 -35.332 19.801 1.00 34.76 ? 49 LEU B N 1 ATOM 1140 C CA . LEU B 1 49 ? 17.951 -36.528 19.776 1.00 35.68 ? 49 LEU B CA 1 ATOM 1141 C C . LEU B 1 49 ? 18.671 -37.802 20.228 1.00 35.27 ? 49 LEU B C 1 ATOM 1142 O O . LEU B 1 49 ? 19.791 -38.083 19.793 1.00 36.92 ? 49 LEU B O 1 ATOM 1143 C CB . LEU B 1 49 ? 17.418 -36.715 18.332 1.00 36.77 ? 49 LEU B CB 1 ATOM 1144 C CG . LEU B 1 49 ? 15.971 -37.189 18.146 1.00 38.79 ? 49 LEU B CG 1 ATOM 1145 C CD1 . LEU B 1 49 ? 15.070 -36.483 19.149 1.00 39.23 ? 49 LEU B CD1 1 ATOM 1146 C CD2 . LEU B 1 49 ? 15.499 -36.920 16.719 1.00 36.61 ? 49 LEU B CD2 1 ATOM 1147 N N . ASP B 1 50 ? 18.028 -38.558 21.117 1.00 35.84 ? 50 ASP B N 1 ATOM 1148 C CA . ASP B 1 50 ? 18.554 -39.849 21.629 1.00 35.89 ? 50 ASP B CA 1 ATOM 1149 C C . ASP B 1 50 ? 17.366 -40.814 21.631 1.00 35.29 ? 50 ASP B C 1 ATOM 1150 O O . ASP B 1 50 ? 16.563 -40.837 22.574 1.00 36.90 ? 50 ASP B O 1 ATOM 1151 C CB . ASP B 1 50 ? 19.131 -39.688 23.039 1.00 37.61 ? 50 ASP B CB 1 ATOM 1152 C CG . ASP B 1 50 ? 19.772 -40.976 23.567 1.00 39.63 ? 50 ASP B CG 1 ATOM 1153 O OD1 . ASP B 1 50 ? 20.489 -40.897 24.591 1.00 40.55 ? 50 ASP B OD1 1 ATOM 1154 O OD2 . ASP B 1 50 ? 19.564 -42.060 22.973 1.00 40.74 ? 50 ASP B OD2 1 ATOM 1155 N N . VAL B 1 51 ? 17.310 -41.620 20.565 1.00 34.33 ? 51 VAL B N 1 ATOM 1156 C CA . VAL B 1 51 ? 16.208 -42.549 20.269 1.00 34.42 ? 51 VAL B CA 1 ATOM 1157 C C . VAL B 1 51 ? 16.651 -43.992 20.144 1.00 34.84 ? 51 VAL B C 1 ATOM 1158 O O . VAL B 1 51 ? 17.635 -44.297 19.472 1.00 35.42 ? 51 VAL B O 1 ATOM 1159 C CB . VAL B 1 51 ? 15.527 -42.133 18.908 1.00 34.12 ? 51 VAL B CB 1 ATOM 1160 C CG1 . VAL B 1 51 ? 14.334 -43.046 18.598 1.00 32.01 ? 51 VAL B CG1 1 ATOM 1161 C CG2 . VAL B 1 51 ? 15.102 -40.660 18.948 1.00 33.22 ? 51 VAL B CG2 1 ATOM 1162 N N . ASP B 1 52 ? 15.907 -44.895 20.772 1.00 36.23 ? 52 ASP B N 1 ATOM 1163 C CA . ASP B 1 52 ? 16.266 -46.313 20.745 1.00 37.43 ? 52 ASP B CA 1 ATOM 1164 C C . ASP B 1 52 ? 16.001 -46.982 19.393 1.00 38.48 ? 52 ASP B C 1 ATOM 1165 O O . ASP B 1 52 ? 14.942 -46.790 18.791 1.00 37.69 ? 52 ASP B O 1 ATOM 1166 C CB . ASP B 1 52 ? 15.524 -47.048 21.858 1.00 37.24 ? 52 ASP B CB 1 ATOM 1167 C CG . ASP B 1 52 ? 16.250 -48.291 22.313 1.00 39.20 ? 52 ASP B CG 1 ATOM 1168 O OD1 . ASP B 1 52 ? 16.073 -49.348 21.675 1.00 40.46 ? 52 ASP B OD1 1 ATOM 1169 O OD2 . ASP B 1 52 ? 17.012 -48.214 23.305 1.00 41.49 ? 52 ASP B OD2 1 ATOM 1170 N N . ASN B 1 53 ? 16.959 -47.783 18.926 1.00 38.96 ? 53 ASN B N 1 ATOM 1171 C CA . ASN B 1 53 ? 16.836 -48.458 17.629 1.00 40.65 ? 53 ASN B CA 1 ATOM 1172 C C . ASN B 1 53 ? 16.023 -49.753 17.653 1.00 39.82 ? 53 ASN B C 1 ATOM 1173 O O . ASN B 1 53 ? 15.800 -50.377 16.610 1.00 39.10 ? 53 ASN B O 1 ATOM 1174 C CB . ASN B 1 53 ? 18.235 -48.774 17.073 1.00 41.03 ? 53 ASN B CB 1 ATOM 1175 C CG . ASN B 1 53 ? 18.955 -49.852 17.870 1.00 41.96 ? 53 ASN B CG 1 ATOM 1176 O OD1 . ASN B 1 53 ? 18.544 -50.199 18.977 1.00 43.49 ? 53 ASN B OD1 1 ATOM 1177 N ND2 . ASN B 1 53 ? 20.040 -50.378 17.313 1.00 42.14 ? 53 ASN B ND2 1 ATOM 1178 N N . SER B 1 54 ? 15.574 -50.157 18.838 1.00 39.43 ? 54 SER B N 1 ATOM 1179 C CA . SER B 1 54 ? 14.822 -51.404 18.969 1.00 41.19 ? 54 SER B CA 1 ATOM 1180 C C . SER B 1 54 ? 13.409 -51.268 18.408 1.00 40.37 ? 54 SER B C 1 ATOM 1181 O O . SER B 1 54 ? 12.690 -52.249 18.260 1.00 40.13 ? 54 SER B O 1 ATOM 1182 C CB . SER B 1 54 ? 14.791 -51.865 20.426 1.00 41.87 ? 54 SER B CB 1 ATOM 1183 O OG . SER B 1 54 ? 13.863 -51.098 21.165 1.00 46.92 ? 54 SER B OG 1 ATOM 1184 N N . ASN B 1 55 ? 13.011 -50.038 18.116 1.00 39.40 ? 55 ASN B N 1 ATOM 1185 C CA . ASN B 1 55 ? 11.723 -49.784 17.481 1.00 40.38 ? 55 ASN B CA 1 ATOM 1186 C C . ASN B 1 55 ? 11.864 -48.602 16.516 1.00 40.25 ? 55 ASN B C 1 ATOM 1187 O O . ASN B 1 55 ? 12.924 -47.979 16.449 1.00 41.40 ? 55 ASN B O 1 ATOM 1188 C CB . ASN B 1 55 ? 10.625 -49.530 18.515 1.00 41.58 ? 55 ASN B CB 1 ATOM 1189 C CG . ASN B 1 55 ? 10.251 -50.796 19.282 1.00 43.75 ? 55 ASN B CG 1 ATOM 1190 O OD1 . ASN B 1 55 ? 9.696 -51.736 18.718 1.00 45.24 ? 55 ASN B OD1 1 ATOM 1191 N ND2 . ASN B 1 55 ? 10.568 -50.826 20.573 1.00 44.82 ? 55 ASN B ND2 1 ATOM 1192 N N . ASN B 1 56 ? 10.814 -48.310 15.755 1.00 39.79 ? 56 ASN B N 1 ATOM 1193 C CA . ASN B 1 56 ? 10.850 -47.210 14.800 1.00 39.45 ? 56 ASN B CA 1 ATOM 1194 C C . ASN B 1 56 ? 11.047 -45.856 15.468 1.00 38.76 ? 56 ASN B C 1 ATOM 1195 O O . ASN B 1 56 ? 10.675 -45.667 16.625 1.00 38.73 ? 56 ASN B O 1 ATOM 1196 C CB . ASN B 1 56 ? 9.543 -47.175 13.978 1.00 40.18 ? 56 ASN B CB 1 ATOM 1197 C CG . ASN B 1 56 ? 9.507 -48.242 12.906 1.00 41.24 ? 56 ASN B CG 1 ATOM 1198 O OD1 . ASN B 1 56 ? 10.480 -48.979 12.722 1.00 41.31 ? 56 ASN B OD1 1 ATOM 1199 N ND2 . ASN B 1 56 ? 8.392 -48.328 12.187 1.00 40.12 ? 56 ASN B ND2 1 ATOM 1200 N N . LEU B 1 57 ? 11.661 -44.922 14.743 1.00 37.86 ? 57 LEU B N 1 ATOM 1201 C CA . LEU B 1 57 ? 11.838 -43.577 15.261 1.00 37.19 ? 57 LEU B CA 1 ATOM 1202 C C . LEU B 1 57 ? 10.586 -42.758 14.948 1.00 36.65 ? 57 LEU B C 1 ATOM 1203 O O . LEU B 1 57 ? 10.283 -42.493 13.790 1.00 37.85 ? 57 LEU B O 1 ATOM 1204 C CB . LEU B 1 57 ? 13.061 -42.889 14.625 1.00 35.40 ? 57 LEU B CB 1 ATOM 1205 C CG . LEU B 1 57 ? 13.422 -41.480 15.152 1.00 37.31 ? 57 LEU B CG 1 ATOM 1206 C CD1 . LEU B 1 57 ? 14.935 -41.310 15.179 1.00 34.48 ? 57 LEU B CD1 1 ATOM 1207 C CD2 . LEU B 1 57 ? 12.789 -40.398 14.295 1.00 36.90 ? 57 LEU B CD2 1 ATOM 1208 N N . ARG B 1 58 ? 9.856 -42.384 15.989 1.00 36.17 ? 58 ARG B N 1 ATOM 1209 C CA . ARG B 1 58 ? 8.670 -41.563 15.824 1.00 36.43 ? 58 ARG B CA 1 ATOM 1210 C C . ARG B 1 58 ? 8.741 -40.343 16.738 1.00 35.50 ? 58 ARG B C 1 ATOM 1211 O O . ARG B 1 58 ? 8.610 -40.470 17.952 1.00 34.71 ? 58 ARG B O 1 ATOM 1212 C CB . ARG B 1 58 ? 7.394 -42.360 16.144 1.00 37.63 ? 58 ARG B CB 1 ATOM 1213 C CG . ARG B 1 58 ? 7.197 -43.602 15.280 1.00 36.42 ? 58 ARG B CG 1 ATOM 1214 C CD . ARG B 1 58 ? 6.094 -44.491 15.840 1.00 36.95 ? 58 ARG B CD 1 ATOM 1215 N NE . ARG B 1 58 ? 5.971 -45.752 15.113 1.00 37.21 ? 58 ARG B NE 1 ATOM 1216 C CZ . ARG B 1 58 ? 6.445 -46.917 15.545 1.00 37.56 ? 58 ARG B CZ 1 ATOM 1217 N NH1 . ARG B 1 58 ? 7.076 -46.993 16.708 1.00 38.34 ? 58 ARG B NH1 1 ATOM 1218 N NH2 . ARG B 1 58 ? 6.285 -48.009 14.812 1.00 38.36 ? 58 ARG B NH2 1 ATOM 1219 N N . VAL B 1 59 ? 8.972 -39.167 16.160 1.00 35.57 ? 59 VAL B N 1 ATOM 1220 C CA . VAL B 1 59 ? 9.007 -37.940 16.951 1.00 35.72 ? 59 VAL B CA 1 ATOM 1221 C C . VAL B 1 59 ? 8.155 -36.866 16.286 1.00 37.75 ? 59 VAL B C 1 ATOM 1222 O O . VAL B 1 59 ? 8.045 -36.799 15.058 1.00 38.91 ? 59 VAL B O 1 ATOM 1223 C CB . VAL B 1 59 ? 10.447 -37.399 17.178 1.00 35.21 ? 59 VAL B CB 1 ATOM 1224 C CG1 . VAL B 1 59 ? 11.249 -38.383 18.024 1.00 33.12 ? 59 VAL B CG1 1 ATOM 1225 C CG2 . VAL B 1 59 ? 11.132 -37.149 15.849 1.00 32.62 ? 59 VAL B CG2 1 ATOM 1226 N N . ASN B 1 60 ? 7.552 -36.023 17.116 1.00 38.72 ? 60 ASN B N 1 ATOM 1227 C CA . ASN B 1 60 ? 6.675 -34.965 16.641 1.00 38.67 ? 60 ASN B CA 1 ATOM 1228 C C . ASN B 1 60 ? 6.808 -33.722 17.509 1.00 38.85 ? 60 ASN B C 1 ATOM 1229 O O . ASN B 1 60 ? 6.952 -33.813 18.726 1.00 39.01 ? 60 ASN B O 1 ATOM 1230 C CB . ASN B 1 60 ? 5.213 -35.459 16.672 1.00 40.05 ? 60 ASN B CB 1 ATOM 1231 C CG . ASN B 1 60 ? 4.249 -34.443 16.102 1.00 40.45 ? 60 ASN B CG 1 ATOM 1232 O OD1 . ASN B 1 60 ? 4.514 -33.815 15.089 1.00 38.96 ? 60 ASN B OD1 1 ATOM 1233 N ND2 . ASN B 1 60 ? 3.147 -34.316 16.835 1.00 46.12 ? 60 ASN B ND2 1 ATOM 1234 N N . SER B 1 61 ? 6.787 -32.557 16.881 1.00 38.03 ? 61 SER B N 1 ATOM 1235 C CA . SER B 1 61 ? 6.866 -31.322 17.645 1.00 38.59 ? 61 SER B CA 1 ATOM 1236 C C . SER B 1 61 ? 5.955 -30.292 16.995 1.00 38.80 ? 61 SER B C 1 ATOM 1237 O O . SER B 1 61 ? 5.679 -30.381 15.797 1.00 41.04 ? 61 SER B O 1 ATOM 1238 C CB . SER B 1 61 ? 8.309 -30.789 17.665 1.00 36.44 ? 61 SER B CB 1 ATOM 1239 O OG . SER B 1 61 ? 8.730 -30.427 16.367 1.00 37.17 ? 61 SER B OG 1 ATOM 1240 N N . SER B 1 62 ? 5.461 -29.339 17.781 1.00 38.80 ? 62 SER B N 1 ATOM 1241 C CA . SER B 1 62 ? 4.638 -28.268 17.231 1.00 40.20 ? 62 SER B CA 1 ATOM 1242 C C . SER B 1 62 ? 4.468 -27.091 18.179 1.00 39.11 ? 62 SER B C 1 ATOM 1243 O O . SER B 1 62 ? 4.715 -27.210 19.375 1.00 40.15 ? 62 SER B O 1 ATOM 1244 C CB . SER B 1 62 ? 3.235 -28.785 16.866 1.00 43.04 ? 62 SER B CB 1 ATOM 1245 O OG . SER B 1 62 ? 2.587 -29.324 18.011 1.00 49.05 ? 62 SER B OG 1 ATOM 1246 N N . ALA B 1 63 ? 4.082 -25.947 17.616 1.00 39.31 ? 63 ALA B N 1 ATOM 1247 C CA . ALA B 1 63 ? 3.760 -24.756 18.410 1.00 40.00 ? 63 ALA B CA 1 ATOM 1248 C C . ALA B 1 63 ? 2.223 -24.657 18.445 1.00 40.25 ? 63 ALA B C 1 ATOM 1249 O O . ALA B 1 63 ? 1.586 -24.359 17.439 1.00 40.15 ? 63 ALA B O 1 ATOM 1250 C CB . ALA B 1 63 ? 4.341 -23.504 17.790 1.00 38.37 ? 63 ALA B CB 1 ATOM 1251 N N . ASP B 1 64 ? 1.646 -24.896 19.614 1.00 42.13 ? 64 ASP B N 1 ATOM 1252 C CA . ASP B 1 64 ? 0.200 -24.869 19.747 1.00 44.94 ? 64 ASP B CA 1 ATOM 1253 C C . ASP B 1 64 ? -0.265 -23.622 20.479 1.00 46.09 ? 64 ASP B C 1 ATOM 1254 O O . ASP B 1 64 ? 0.510 -23.014 21.209 1.00 45.76 ? 64 ASP B O 1 ATOM 1255 C CB . ASP B 1 64 ? -0.262 -26.118 20.531 1.00 44.97 ? 64 ASP B CB 1 ATOM 1256 C CG . ASP B 1 64 ? 0.199 -27.422 19.889 1.00 47.57 ? 64 ASP B CG 1 ATOM 1257 O OD1 . ASP B 1 64 ? 0.501 -27.427 18.672 1.00 47.79 ? 64 ASP B OD1 1 ATOM 1258 O OD2 . ASP B 1 64 ? 0.251 -28.449 20.599 1.00 49.13 ? 64 ASP B OD2 1 ATOM 1259 N N . ASP B 1 65 ? -1.515 -23.222 20.251 1.00 47.26 ? 65 ASP B N 1 ATOM 1260 C CA . ASP B 1 65 ? -2.104 -22.083 20.960 1.00 49.01 ? 65 ASP B CA 1 ATOM 1261 C C . ASP B 1 65 ? -1.249 -20.830 20.885 1.00 48.41 ? 65 ASP B C 1 ATOM 1262 O O . ASP B 1 65 ? -1.018 -20.169 21.896 1.00 48.84 ? 65 ASP B O 1 ATOM 1263 C CB . ASP B 1 65 ? -2.309 -22.464 22.449 1.00 51.58 ? 65 ASP B CB 1 ATOM 1264 C CG . ASP B 1 65 ? -3.032 -23.795 22.626 1.00 56.60 ? 65 ASP B CG 1 ATOM 1265 O OD1 . ASP B 1 65 ? -3.961 -24.085 21.834 1.00 59.03 ? 65 ASP B OD1 1 ATOM 1266 O OD2 . ASP B 1 65 ? -2.679 -24.549 23.565 1.00 58.58 ? 65 ASP B OD2 1 ATOM 1267 N N . VAL B 1 66 ? -0.784 -20.501 19.690 1.00 47.61 ? 66 VAL B N 1 ATOM 1268 C CA . VAL B 1 66 ? 0.066 -19.336 19.522 1.00 48.16 ? 66 VAL B CA 1 ATOM 1269 C C . VAL B 1 66 ? -0.700 -18.022 19.627 1.00 49.05 ? 66 VAL B C 1 ATOM 1270 O O . VAL B 1 66 ? -1.680 -17.811 18.913 1.00 49.35 ? 66 VAL B O 1 ATOM 1271 C CB . VAL B 1 66 ? 0.789 -19.362 18.134 1.00 47.02 ? 66 VAL B CB 1 ATOM 1272 C CG1 . VAL B 1 66 ? 1.571 -18.071 17.925 1.00 44.34 ? 66 VAL B CG1 1 ATOM 1273 C CG2 . VAL B 1 66 ? 1.704 -20.586 18.037 1.00 44.63 ? 66 VAL B CG2 1 ATOM 1274 N N . THR B 1 67 ? -0.263 -17.159 20.541 1.00 49.11 ? 67 THR B N 1 ATOM 1275 C CA . THR B 1 67 ? -0.855 -15.829 20.685 1.00 50.52 ? 67 THR B CA 1 ATOM 1276 C C . THR B 1 67 ? 0.282 -14.793 20.712 1.00 50.74 ? 67 THR B C 1 ATOM 1277 O O . THR B 1 67 ? 1.460 -15.157 20.633 1.00 51.01 ? 67 THR B O 1 ATOM 1278 C CB . THR B 1 67 ? -1.683 -15.676 21.991 1.00 50.90 ? 67 THR B CB 1 ATOM 1279 O OG1 . THR B 1 67 ? -0.804 -15.553 23.114 1.00 52.46 ? 67 THR B OG1 1 ATOM 1280 C CG2 . THR B 1 67 ? -2.596 -16.885 22.188 1.00 51.59 ? 67 THR B CG2 1 ATOM 1281 N N . VAL B 1 68 ? -0.072 -13.512 20.808 1.00 49.78 ? 68 VAL B N 1 ATOM 1282 C CA . VAL B 1 68 ? 0.934 -12.458 20.868 1.00 47.95 ? 68 VAL B CA 1 ATOM 1283 C C . VAL B 1 68 ? 1.750 -12.553 22.159 1.00 46.92 ? 68 VAL B C 1 ATOM 1284 O O . VAL B 1 68 ? 2.877 -12.067 22.227 1.00 48.09 ? 68 VAL B O 1 ATOM 1285 C CB . VAL B 1 68 ? 0.289 -11.029 20.809 1.00 48.63 ? 68 VAL B CB 1 ATOM 1286 C CG1 . VAL B 1 68 ? -0.204 -10.737 19.402 1.00 47.47 ? 68 VAL B CG1 1 ATOM 1287 C CG2 . VAL B 1 68 ? -0.850 -10.919 21.814 1.00 46.61 ? 68 VAL B CG2 1 ATOM 1288 N N . GLY B 1 69 ? 1.180 -13.208 23.168 1.00 45.72 ? 69 GLY B N 1 ATOM 1289 C CA . GLY B 1 69 ? 1.842 -13.329 24.457 1.00 43.41 ? 69 GLY B CA 1 ATOM 1290 C C . GLY B 1 69 ? 2.646 -14.596 24.667 1.00 43.56 ? 69 GLY B C 1 ATOM 1291 O O . GLY B 1 69 ? 3.439 -14.696 25.613 1.00 42.92 ? 69 GLY B O 1 ATOM 1292 N N . GLY B 1 70 ? 2.449 -15.579 23.796 1.00 43.20 ? 70 GLY B N 1 ATOM 1293 C CA . GLY B 1 70 ? 3.204 -16.817 23.922 1.00 41.52 ? 70 GLY B CA 1 ATOM 1294 C C . GLY B 1 70 ? 2.593 -17.998 23.202 1.00 40.51 ? 70 GLY B C 1 ATOM 1295 O O . GLY B 1 70 ? 1.719 -17.836 22.351 1.00 43.51 ? 70 GLY B O 1 ATOM 1296 N N . PHE B 1 71 ? 3.065 -19.193 23.530 1.00 39.55 ? 71 PHE B N 1 ATOM 1297 C CA . PHE B 1 71 ? 2.527 -20.405 22.922 1.00 38.38 ? 71 PHE B CA 1 ATOM 1298 C C . PHE B 1 71 ? 2.852 -21.632 23.759 1.00 38.04 ? 71 PHE B C 1 ATOM 1299 O O . PHE B 1 71 ? 3.524 -21.545 24.785 1.00 39.00 ? 71 PHE B O 1 ATOM 1300 C CB . PHE B 1 71 ? 3.072 -20.591 21.494 1.00 39.84 ? 71 PHE B CB 1 ATOM 1301 C CG . PHE B 1 71 ? 4.510 -21.028 21.438 1.00 38.32 ? 71 PHE B CG 1 ATOM 1302 C CD1 . PHE B 1 71 ? 4.844 -22.339 21.127 1.00 38.69 ? 71 PHE B CD1 1 ATOM 1303 C CD2 . PHE B 1 71 ? 5.528 -20.125 21.698 1.00 39.80 ? 71 PHE B CD2 1 ATOM 1304 C CE1 . PHE B 1 71 ? 6.180 -22.742 21.074 1.00 40.11 ? 71 PHE B CE1 1 ATOM 1305 C CE2 . PHE B 1 71 ? 6.861 -20.516 21.650 1.00 39.45 ? 71 PHE B CE2 1 ATOM 1306 C CZ . PHE B 1 71 ? 7.187 -21.828 21.335 1.00 38.50 ? 71 PHE B CZ 1 ATOM 1307 N N . THR B 1 72 ? 2.347 -22.777 23.315 1.00 39.73 ? 72 THR B N 1 ATOM 1308 C CA . THR B 1 72 ? 2.596 -24.044 23.992 1.00 41.18 ? 72 THR B CA 1 ATOM 1309 C C . THR B 1 72 ? 3.569 -24.856 23.142 1.00 39.97 ? 72 THR B C 1 ATOM 1310 O O . THR B 1 72 ? 3.266 -25.237 22.010 1.00 38.76 ? 72 THR B O 1 ATOM 1311 C CB . THR B 1 72 ? 1.286 -24.839 24.197 1.00 42.46 ? 72 THR B CB 1 ATOM 1312 O OG1 . THR B 1 72 ? 0.389 -24.058 24.999 1.00 45.69 ? 72 THR B OG1 1 ATOM 1313 C CG2 . THR B 1 72 ? 1.564 -26.166 24.900 1.00 41.21 ? 72 THR B CG2 1 ATOM 1314 N N . LEU B 1 73 ? 4.762 -25.076 23.694 1.00 39.74 ? 73 LEU B N 1 ATOM 1315 C CA . LEU B 1 73 ? 5.801 -25.846 23.012 1.00 37.63 ? 73 LEU B CA 1 ATOM 1316 C C . LEU B 1 73 ? 5.470 -27.320 23.225 1.00 38.63 ? 73 LEU B C 1 ATOM 1317 O O . LEU B 1 73 ? 5.552 -27.832 24.340 1.00 37.95 ? 73 LEU B O 1 ATOM 1318 C CB . LEU B 1 73 ? 7.171 -25.486 23.586 1.00 36.77 ? 73 LEU B CB 1 ATOM 1319 C CG . LEU B 1 73 ? 8.377 -26.244 23.009 1.00 36.10 ? 73 LEU B CG 1 ATOM 1320 C CD1 . LEU B 1 73 ? 8.437 -26.046 21.506 1.00 34.02 ? 73 LEU B CD1 1 ATOM 1321 C CD2 . LEU B 1 73 ? 9.669 -25.772 23.670 1.00 33.55 ? 73 LEU B CD2 1 ATOM 1322 N N . HIS B 1 74 ? 5.101 -27.995 22.139 1.00 38.01 ? 74 HIS B N 1 ATOM 1323 C CA . HIS B 1 74 ? 4.673 -29.376 22.213 1.00 38.13 ? 74 HIS B CA 1 ATOM 1324 C C . HIS B 1 74 ? 5.577 -30.403 21.566 1.00 37.69 ? 74 HIS B C 1 ATOM 1325 O O . HIS B 1 74 ? 6.177 -30.151 20.518 1.00 37.45 ? 74 HIS B O 1 ATOM 1326 C CB . HIS B 1 74 ? 3.278 -29.503 21.560 1.00 39.46 ? 74 HIS B CB 1 ATOM 1327 C CG . HIS B 1 74 ? 2.821 -30.919 21.372 1.00 40.29 ? 74 HIS B CG 1 ATOM 1328 N ND1 . HIS B 1 74 ? 2.247 -31.656 22.384 1.00 40.18 ? 74 HIS B ND1 1 ATOM 1329 C CD2 . HIS B 1 74 ? 2.872 -31.733 20.291 1.00 39.49 ? 74 HIS B CD2 1 ATOM 1330 C CE1 . HIS B 1 74 ? 1.960 -32.866 21.933 1.00 40.30 ? 74 HIS B CE1 1 ATOM 1331 N NE2 . HIS B 1 74 ? 2.330 -32.938 20.667 1.00 40.75 ? 74 HIS B NE2 1 ATOM 1332 N N . TYR B 1 75 ? 5.660 -31.557 22.221 1.00 37.77 ? 75 TYR B N 1 ATOM 1333 C CA . TYR B 1 75 ? 6.384 -32.706 21.716 1.00 38.07 ? 75 TYR B CA 1 ATOM 1334 C C . TYR B 1 75 ? 5.616 -34.016 22.007 1.00 38.29 ? 75 TYR B C 1 ATOM 1335 O O . TYR B 1 75 ? 4.934 -34.127 23.022 1.00 38.47 ? 75 TYR B O 1 ATOM 1336 C CB . TYR B 1 75 ? 7.770 -32.838 22.401 1.00 36.68 ? 75 TYR B CB 1 ATOM 1337 C CG . TYR B 1 75 ? 8.348 -34.244 22.385 1.00 37.84 ? 75 TYR B CG 1 ATOM 1338 C CD1 . TYR B 1 75 ? 9.149 -34.683 21.335 1.00 37.71 ? 75 TYR B CD1 1 ATOM 1339 C CD2 . TYR B 1 75 ? 8.068 -35.141 23.418 1.00 37.73 ? 75 TYR B CD2 1 ATOM 1340 C CE1 . TYR B 1 75 ? 9.656 -35.968 21.317 1.00 37.44 ? 75 TYR B CE1 1 ATOM 1341 C CE2 . TYR B 1 75 ? 8.567 -36.430 23.403 1.00 37.46 ? 75 TYR B CE2 1 ATOM 1342 C CZ . TYR B 1 75 ? 9.362 -36.834 22.354 1.00 38.54 ? 75 TYR B CZ 1 ATOM 1343 O OH . TYR B 1 75 ? 9.864 -38.107 22.339 1.00 37.90 ? 75 TYR B OH 1 ATOM 1344 N N . ASN B 1 76 ? 5.678 -34.964 21.078 1.00 38.04 ? 76 ASN B N 1 ATOM 1345 C CA . ASN B 1 76 ? 5.209 -36.298 21.388 1.00 37.50 ? 76 ASN B CA 1 ATOM 1346 C C . ASN B 1 76 ? 5.828 -37.365 20.486 1.00 39.43 ? 76 ASN B C 1 ATOM 1347 O O . ASN B 1 76 ? 6.152 -37.089 19.331 1.00 41.11 ? 76 ASN B O 1 ATOM 1348 C CB . ASN B 1 76 ? 3.679 -36.475 21.311 1.00 35.32 ? 76 ASN B CB 1 ATOM 1349 C CG . ASN B 1 76 ? 3.151 -36.514 19.891 1.00 30.77 ? 76 ASN B CG 1 ATOM 1350 O OD1 . ASN B 1 76 ? 2.859 -35.475 19.304 1.00 33.83 ? 76 ASN B OD1 1 ATOM 1351 N ND2 . ASN B 1 76 ? 3.020 -37.711 19.332 1.00 31.10 ? 76 ASN B ND2 1 ATOM 1352 N N . SER B 1 77 ? 6.063 -38.541 21.069 1.00 40.82 ? 77 SER B N 1 ATOM 1353 C CA . SER B 1 77 ? 6.400 -39.718 20.270 1.00 41.92 ? 77 SER B CA 1 ATOM 1354 C C . SER B 1 77 ? 5.056 -40.494 20.294 1.00 43.43 ? 77 SER B C 1 ATOM 1355 O O . SER B 1 77 ? 4.063 -39.997 20.834 1.00 46.34 ? 77 SER B O 1 ATOM 1356 C CB . SER B 1 77 ? 7.479 -40.591 20.905 1.00 41.10 ? 77 SER B CB 1 ATOM 1357 O OG . SER B 1 77 ? 7.249 -40.802 22.284 1.00 44.17 ? 77 SER B OG 1 ATOM 1358 N N . TRP B 1 78 ? 5.019 -41.676 19.684 1.00 43.69 ? 78 TRP B N 1 ATOM 1359 C CA . TRP B 1 78 ? 3.813 -42.492 19.711 1.00 44.26 ? 78 TRP B CA 1 ATOM 1360 C C . TRP B 1 78 ? 4.114 -43.971 19.448 1.00 45.85 ? 78 TRP B C 1 ATOM 1361 O O . TRP B 1 78 ? 5.218 -44.332 19.023 1.00 45.71 ? 78 TRP B O 1 ATOM 1362 C CB . TRP B 1 78 ? 2.751 -41.946 18.754 1.00 43.05 ? 78 TRP B CB 1 ATOM 1363 C CG . TRP B 1 78 ? 3.092 -42.024 17.294 1.00 43.61 ? 78 TRP B CG 1 ATOM 1364 C CD1 . TRP B 1 78 ? 2.695 -42.987 16.410 1.00 42.66 ? 78 TRP B CD1 1 ATOM 1365 C CD2 . TRP B 1 78 ? 3.899 -41.102 16.545 1.00 42.79 ? 78 TRP B CD2 1 ATOM 1366 N NE1 . TRP B 1 78 ? 3.197 -42.717 15.161 1.00 43.35 ? 78 TRP B NE1 1 ATOM 1367 C CE2 . TRP B 1 78 ? 3.942 -41.570 15.214 1.00 42.16 ? 78 TRP B CE2 1 ATOM 1368 C CE3 . TRP B 1 78 ? 4.589 -39.927 16.871 1.00 42.78 ? 78 TRP B CE3 1 ATOM 1369 C CZ2 . TRP B 1 78 ? 4.649 -40.907 14.209 1.00 41.56 ? 78 TRP B CZ2 1 ATOM 1370 C CZ3 . TRP B 1 78 ? 5.290 -39.266 15.871 1.00 42.12 ? 78 TRP B CZ3 1 ATOM 1371 C CH2 . TRP B 1 78 ? 5.315 -39.759 14.555 1.00 41.83 ? 78 TRP B CH2 1 ATOM 1372 N N . TYR B 1 79 ? 3.117 -44.811 19.710 1.00 47.18 ? 79 TYR B N 1 ATOM 1373 C CA . TYR B 1 79 ? 3.225 -46.246 19.580 1.00 47.24 ? 79 TYR B CA 1 ATOM 1374 C C . TYR B 1 79 ? 4.394 -46.813 20.396 1.00 46.71 ? 79 TYR B C 1 ATOM 1375 O O . TYR B 1 79 ? 4.537 -46.483 21.571 1.00 46.00 ? 79 TYR B O 1 ATOM 1376 C CB . TYR B 1 79 ? 3.303 -46.696 18.115 1.00 50.78 ? 79 TYR B CB 1 ATOM 1377 C CG . TYR B 1 79 ? 2.978 -48.160 17.910 1.00 54.93 ? 79 TYR B CG 1 ATOM 1378 C CD1 . TYR B 1 79 ? 1.792 -48.703 18.402 1.00 57.30 ? 79 TYR B CD1 1 ATOM 1379 C CD2 . TYR B 1 79 ? 3.850 -49.000 17.229 1.00 56.60 ? 79 TYR B CD2 1 ATOM 1380 C CE1 . TYR B 1 79 ? 1.485 -50.040 18.221 1.00 59.19 ? 79 TYR B CE1 1 ATOM 1381 C CE2 . TYR B 1 79 ? 3.552 -50.344 17.042 1.00 59.07 ? 79 TYR B CE2 1 ATOM 1382 C CZ . TYR B 1 79 ? 2.367 -50.855 17.540 1.00 60.02 ? 79 TYR B CZ 1 ATOM 1383 O OH . TYR B 1 79 ? 2.062 -52.182 17.364 1.00 61.57 ? 79 TYR B OH 1 ATOM 1384 N N . THR B 1 80 ? 5.258 -47.602 19.766 1.00 45.99 ? 80 THR B N 1 ATOM 1385 C CA . THR B 1 80 ? 6.307 -48.305 20.507 1.00 45.27 ? 80 THR B CA 1 ATOM 1386 C C . THR B 1 80 ? 7.651 -47.637 20.605 1.00 44.40 ? 80 THR B C 1 ATOM 1387 O O . THR B 1 80 ? 8.611 -48.217 21.113 1.00 45.56 ? 80 THR B O 1 ATOM 1388 C CB . THR B 1 80 ? 6.536 -49.707 19.871 1.00 46.54 ? 80 THR B CB 1 ATOM 1389 O OG1 . THR B 1 80 ? 6.733 -49.555 18.455 1.00 47.59 ? 80 THR B OG1 1 ATOM 1390 C CG2 . THR B 1 80 ? 5.348 -50.626 20.118 1.00 47.51 ? 80 THR B CG2 1 ATOM 1391 N N . THR B 1 81 ? 7.730 -46.408 20.135 1.00 43.27 ? 81 THR B N 1 ATOM 1392 C CA . THR B 1 81 ? 8.997 -45.699 20.127 1.00 40.93 ? 81 THR B CA 1 ATOM 1393 C C . THR B 1 81 ? 9.546 -45.384 21.512 1.00 40.13 ? 81 THR B C 1 ATOM 1394 O O . THR B 1 81 ? 8.789 -45.079 22.434 1.00 38.49 ? 81 THR B O 1 ATOM 1395 C CB . THR B 1 81 ? 8.842 -44.382 19.312 1.00 40.55 ? 81 THR B CB 1 ATOM 1396 O OG1 . THR B 1 81 ? 8.739 -44.708 17.920 1.00 38.82 ? 81 THR B OG1 1 ATOM 1397 C CG2 . THR B 1 81 ? 10.022 -43.440 19.538 1.00 39.96 ? 81 THR B CG2 1 ATOM 1398 N N . THR B 1 82 ? 10.861 -45.488 21.669 1.00 38.63 ? 82 THR B N 1 ATOM 1399 C CA . THR B 1 82 ? 11.487 -45.129 22.932 1.00 38.48 ? 82 THR B CA 1 ATOM 1400 C C . THR B 1 82 ? 12.496 -43.985 22.753 1.00 38.73 ? 82 THR B C 1 ATOM 1401 O O . THR B 1 82 ? 13.486 -44.118 22.026 1.00 39.07 ? 82 THR B O 1 ATOM 1402 C CB . THR B 1 82 ? 12.214 -46.313 23.573 1.00 39.83 ? 82 THR B CB 1 ATOM 1403 O OG1 . THR B 1 82 ? 11.269 -47.360 23.805 1.00 42.19 ? 82 THR B OG1 1 ATOM 1404 C CG2 . THR B 1 82 ? 12.861 -45.900 24.902 1.00 39.40 ? 82 THR B CG2 1 ATOM 1405 N N . VAL B 1 83 ? 12.240 -42.859 23.414 1.00 37.03 ? 83 VAL B N 1 ATOM 1406 C CA . VAL B 1 83 ? 13.144 -41.715 23.344 1.00 37.05 ? 83 VAL B CA 1 ATOM 1407 C C . VAL B 1 83 ? 13.835 -41.526 24.698 1.00 38.17 ? 83 VAL B C 1 ATOM 1408 O O . VAL B 1 83 ? 13.180 -41.481 25.738 1.00 40.09 ? 83 VAL B O 1 ATOM 1409 C CB . VAL B 1 83 ? 12.390 -40.440 22.934 1.00 35.97 ? 83 VAL B CB 1 ATOM 1410 C CG1 . VAL B 1 83 ? 13.370 -39.284 22.731 1.00 34.29 ? 83 VAL B CG1 1 ATOM 1411 C CG2 . VAL B 1 83 ? 11.610 -40.716 21.651 1.00 35.77 ? 83 VAL B CG2 1 ATOM 1412 N N . TRP B 1 84 ? 15.161 -41.430 24.677 1.00 37.44 ? 84 TRP B N 1 ATOM 1413 C CA . TRP B 1 84 ? 15.943 -41.297 25.897 1.00 38.54 ? 84 TRP B CA 1 ATOM 1414 C C . TRP B 1 84 ? 16.276 -39.858 26.199 1.00 41.10 ? 84 TRP B C 1 ATOM 1415 O O . TRP B 1 84 ? 16.288 -39.456 27.363 1.00 41.27 ? 84 TRP B O 1 ATOM 1416 C CB . TRP B 1 84 ? 17.220 -42.129 25.805 1.00 39.83 ? 84 TRP B CB 1 ATOM 1417 C CG . TRP B 1 84 ? 16.944 -43.588 25.687 1.00 39.76 ? 84 TRP B CG 1 ATOM 1418 C CD1 . TRP B 1 84 ? 17.183 -44.376 24.603 1.00 39.47 ? 84 TRP B CD1 1 ATOM 1419 C CD2 . TRP B 1 84 ? 16.361 -44.436 26.682 1.00 41.10 ? 84 TRP B CD2 1 ATOM 1420 N NE1 . TRP B 1 84 ? 16.791 -45.663 24.857 1.00 40.28 ? 84 TRP B NE1 1 ATOM 1421 C CE2 . TRP B 1 84 ? 16.279 -45.730 26.126 1.00 42.03 ? 84 TRP B CE2 1 ATOM 1422 C CE3 . TRP B 1 84 ? 15.896 -44.231 27.992 1.00 40.92 ? 84 TRP B CE3 1 ATOM 1423 C CZ2 . TRP B 1 84 ? 15.752 -46.820 26.831 1.00 40.92 ? 84 TRP B CZ2 1 ATOM 1424 C CZ3 . TRP B 1 84 ? 15.373 -45.317 28.691 1.00 39.42 ? 84 TRP B CZ3 1 ATOM 1425 C CH2 . TRP B 1 84 ? 15.309 -46.593 28.106 1.00 40.45 ? 84 TRP B CH2 1 ATOM 1426 N N . ASN B 1 85 ? 16.575 -39.080 25.162 1.00 41.05 ? 85 ASN B N 1 ATOM 1427 C CA . ASN B 1 85 ? 16.813 -37.659 25.368 1.00 40.09 ? 85 ASN B CA 1 ATOM 1428 C C . ASN B 1 85 ? 16.416 -36.834 24.150 1.00 39.68 ? 85 ASN B C 1 ATOM 1429 O O . ASN B 1 85 ? 16.352 -37.355 23.042 1.00 39.99 ? 85 ASN B O 1 ATOM 1430 C CB . ASN B 1 85 ? 18.301 -37.377 25.669 1.00 40.70 ? 85 ASN B CB 1 ATOM 1431 C CG . ASN B 1 85 ? 18.767 -38.033 26.961 1.00 42.29 ? 85 ASN B CG 1 ATOM 1432 O OD1 . ASN B 1 85 ? 18.434 -37.586 28.056 1.00 43.16 ? 85 ASN B OD1 1 ATOM 1433 N ND2 . ASN B 1 85 ? 19.525 -39.112 26.833 1.00 41.19 ? 85 ASN B ND2 1 ATOM 1434 N N . TYR B 1 86 ? 16.093 -35.563 24.358 1.00 38.48 ? 86 TYR B N 1 ATOM 1435 C CA . TYR B 1 86 ? 15.871 -34.692 23.220 1.00 37.24 ? 86 TYR B CA 1 ATOM 1436 C C . TYR B 1 86 ? 15.934 -33.228 23.610 1.00 37.29 ? 86 TYR B C 1 ATOM 1437 O O . TYR B 1 86 ? 15.740 -32.884 24.775 1.00 36.78 ? 86 TYR B O 1 ATOM 1438 C CB . TYR B 1 86 ? 14.528 -34.970 22.509 1.00 36.47 ? 86 TYR B CB 1 ATOM 1439 C CG . TYR B 1 86 ? 13.282 -34.664 23.315 1.00 37.15 ? 86 TYR B CG 1 ATOM 1440 C CD1 . TYR B 1 86 ? 12.642 -33.425 23.220 1.00 38.00 ? 86 TYR B CD1 1 ATOM 1441 C CD2 . TYR B 1 86 ? 12.745 -35.614 24.172 1.00 37.73 ? 86 TYR B CD2 1 ATOM 1442 C CE1 . TYR B 1 86 ? 11.491 -33.153 23.959 1.00 38.04 ? 86 TYR B CE1 1 ATOM 1443 C CE2 . TYR B 1 86 ? 11.602 -35.352 24.914 1.00 38.64 ? 86 TYR B CE2 1 ATOM 1444 C CZ . TYR B 1 86 ? 10.980 -34.126 24.803 1.00 38.81 ? 86 TYR B CZ 1 ATOM 1445 O OH . TYR B 1 86 ? 9.848 -33.874 25.542 1.00 40.07 ? 86 TYR B OH 1 ATOM 1446 N N . LYS B 1 87 ? 16.271 -32.383 22.639 1.00 36.30 ? 87 LYS B N 1 ATOM 1447 C CA . LYS B 1 87 ? 16.228 -30.949 22.842 1.00 35.76 ? 87 LYS B CA 1 ATOM 1448 C C . LYS B 1 87 ? 15.482 -30.322 21.670 1.00 36.38 ? 87 LYS B C 1 ATOM 1449 O O . LYS B 1 87 ? 15.872 -30.484 20.506 1.00 36.44 ? 87 LYS B O 1 ATOM 1450 C CB . LYS B 1 87 ? 17.605 -30.297 22.924 1.00 34.25 ? 87 LYS B CB 1 ATOM 1451 C CG . LYS B 1 87 ? 17.524 -28.783 23.117 1.00 35.10 ? 87 LYS B CG 1 ATOM 1452 C CD . LYS B 1 87 ? 18.902 -28.153 23.165 1.00 36.42 ? 87 LYS B CD 1 ATOM 1453 C CE . LYS B 1 87 ? 19.607 -28.321 21.826 1.00 38.24 ? 87 LYS B CE 1 ATOM 1454 N NZ . LYS B 1 87 ? 21.080 -28.085 21.914 1.00 39.18 ? 87 LYS B NZ 1 ATOM 1455 N N . LEU B 1 88 ? 14.398 -29.630 22.013 1.00 36.09 ? 88 LEU B N 1 ATOM 1456 C CA . LEU B 1 88 ? 13.581 -28.888 21.070 1.00 35.66 ? 88 LEU B CA 1 ATOM 1457 C C . LEU B 1 88 ? 14.165 -27.496 20.820 1.00 34.85 ? 88 LEU B C 1 ATOM 1458 O O . LEU B 1 88 ? 14.797 -26.903 21.697 1.00 35.08 ? 88 LEU B O 1 ATOM 1459 C CB . LEU B 1 88 ? 12.151 -28.674 21.633 1.00 34.55 ? 88 LEU B CB 1 ATOM 1460 C CG . LEU B 1 88 ? 11.305 -29.919 21.946 1.00 35.66 ? 88 LEU B CG 1 ATOM 1461 C CD1 . LEU B 1 88 ? 9.968 -29.510 22.553 1.00 34.99 ? 88 LEU B CD1 1 ATOM 1462 C CD2 . LEU B 1 88 ? 11.088 -30.749 20.683 1.00 33.32 ? 88 LEU B CD2 1 ATOM 1463 N N . ILE B 1 89 ? 13.972 -27.001 19.600 1.00 34.59 ? 89 ILE B N 1 ATOM 1464 C CA . ILE B 1 89 ? 14.351 -25.636 19.267 1.00 33.84 ? 89 ILE B CA 1 ATOM 1465 C C . ILE B 1 89 ? 13.129 -24.971 18.619 1.00 33.76 ? 89 ILE B C 1 ATOM 1466 O O . ILE B 1 89 ? 12.333 -25.624 17.951 1.00 35.28 ? 89 ILE B O 1 ATOM 1467 C CB . ILE B 1 89 ? 15.563 -25.532 18.329 1.00 36.01 ? 89 ILE B CB 1 ATOM 1468 C CG1 . ILE B 1 89 ? 15.271 -26.206 16.991 1.00 34.64 ? 89 ILE B CG1 1 ATOM 1469 C CG2 . ILE B 1 89 ? 16.782 -26.173 18.989 1.00 32.95 ? 89 ILE B CG2 1 ATOM 1470 C CD1 . ILE B 1 89 ? 15.486 -25.308 15.803 1.00 33.87 ? 89 ILE B CD1 1 ATOM 1471 N N . TRP B 1 90 ? 12.978 -23.669 18.819 1.00 34.00 ? 90 TRP B N 1 ATOM 1472 C CA . TRP B 1 90 ? 11.832 -22.983 18.258 1.00 33.93 ? 90 TRP B CA 1 ATOM 1473 C C . TRP B 1 90 ? 12.146 -21.538 17.951 1.00 33.51 ? 90 TRP B C 1 ATOM 1474 O O . TRP B 1 90 ? 12.995 -20.922 18.598 1.00 34.98 ? 90 TRP B O 1 ATOM 1475 C CB . TRP B 1 90 ? 10.651 -23.027 19.254 1.00 33.64 ? 90 TRP B CB 1 ATOM 1476 C CG . TRP B 1 90 ? 10.937 -22.327 20.554 1.00 34.24 ? 90 TRP B CG 1 ATOM 1477 C CD1 . TRP B 1 90 ? 11.416 -22.891 21.708 1.00 33.05 ? 90 TRP B CD1 1 ATOM 1478 C CD2 . TRP B 1 90 ? 10.783 -20.927 20.827 1.00 32.63 ? 90 TRP B CD2 1 ATOM 1479 N NE1 . TRP B 1 90 ? 11.568 -21.929 22.677 1.00 32.96 ? 90 TRP B NE1 1 ATOM 1480 C CE2 . TRP B 1 90 ? 11.187 -20.715 22.167 1.00 33.49 ? 90 TRP B CE2 1 ATOM 1481 C CE3 . TRP B 1 90 ? 10.346 -19.829 20.070 1.00 32.62 ? 90 TRP B CE3 1 ATOM 1482 C CZ2 . TRP B 1 90 ? 11.166 -19.447 22.770 1.00 33.67 ? 90 TRP B CZ2 1 ATOM 1483 C CZ3 . TRP B 1 90 ? 10.323 -18.561 20.673 1.00 33.14 ? 90 TRP B CZ3 1 ATOM 1484 C CH2 . TRP B 1 90 ? 10.732 -18.386 22.010 1.00 34.62 ? 90 TRP B CH2 1 ATOM 1485 N N . ILE B 1 91 ? 11.463 -21.012 16.943 1.00 32.56 ? 91 ILE B N 1 ATOM 1486 C CA . ILE B 1 91 ? 11.612 -19.618 16.567 1.00 32.98 ? 91 ILE B CA 1 ATOM 1487 C C . ILE B 1 91 ? 10.248 -19.045 16.191 1.00 34.76 ? 91 ILE B C 1 ATOM 1488 O O . ILE B 1 91 ? 9.439 -19.701 15.523 1.00 33.76 ? 91 ILE B O 1 ATOM 1489 C CB . ILE B 1 91 ? 12.634 -19.436 15.409 1.00 33.22 ? 91 ILE B CB 1 ATOM 1490 C CG1 . ILE B 1 91 ? 12.733 -17.956 15.023 1.00 31.40 ? 91 ILE B CG1 1 ATOM 1491 C CG2 . ILE B 1 91 ? 12.240 -20.278 14.219 1.00 30.72 ? 91 ILE B CG2 1 ATOM 1492 C CD1 . ILE B 1 91 ? 13.991 -17.633 14.234 1.00 32.04 ? 91 ILE B CD1 1 ATOM 1493 N N . ALA B 1 92 ? 10.002 -17.824 16.666 1.00 35.99 ? 92 ALA B N 1 ATOM 1494 C CA . ALA B 1 92 ? 8.758 -17.105 16.419 1.00 37.23 ? 92 ALA B CA 1 ATOM 1495 C C . ALA B 1 92 ? 9.042 -15.724 15.833 1.00 37.22 ? 92 ALA B C 1 ATOM 1496 O O . ALA B 1 92 ? 9.817 -14.955 16.397 1.00 37.23 ? 92 ALA B O 1 ATOM 1497 C CB . ALA B 1 92 ? 7.982 -16.957 17.730 1.00 35.97 ? 92 ALA B CB 1 ATOM 1498 N N . CYS B 1 93 ? 8.422 -15.425 14.699 1.00 36.25 ? 93 CYS B N 1 ATOM 1499 C CA . CYS B 1 93 ? 8.592 -14.132 14.062 1.00 36.61 ? 93 CYS B CA 1 ATOM 1500 C C . CYS B 1 93 ? 7.247 -13.611 13.571 1.00 37.79 ? 93 CYS B C 1 ATOM 1501 O O . CYS B 1 93 ? 6.371 -14.390 13.205 1.00 35.94 ? 93 CYS B O 1 ATOM 1502 C CB . CYS B 1 93 ? 9.520 -14.231 12.843 1.00 36.89 ? 93 CYS B CB 1 ATOM 1503 S SG . CYS B 1 93 ? 11.177 -14.941 13.126 1.00 39.06 ? 93 CYS B SG 1 ATOM 1504 N N . ASP B 1 94 ? 7.074 -12.295 13.600 1.00 39.60 ? 94 ASP B N 1 ATOM 1505 C CA . ASP B 1 94 ? 5.860 -11.717 13.050 1.00 42.25 ? 94 ASP B CA 1 ATOM 1506 C C . ASP B 1 94 ? 6.234 -10.949 11.769 1.00 43.38 ? 94 ASP B C 1 ATOM 1507 O O . ASP B 1 94 ? 7.281 -11.256 11.178 1.00 43.29 ? 94 ASP B O 1 ATOM 1508 C CB . ASP B 1 94 ? 5.144 -10.811 14.056 1.00 43.00 ? 94 ASP B CB 1 ATOM 1509 C CG . ASP B 1 94 ? 5.920 -9.554 14.408 1.00 44.19 ? 94 ASP B CG 1 ATOM 1510 O OD1 . ASP B 1 94 ? 7.058 -9.342 13.920 1.00 44.63 ? 94 ASP B OD1 1 ATOM 1511 O OD2 . ASP B 1 94 ? 5.371 -8.755 15.197 1.00 46.07 ? 94 ASP B OD2 1 ATOM 1512 O OXT . ASP B 1 94 ? 5.493 -10.062 11.322 1.00 46.28 ? 94 ASP B OXT 1 ATOM 1513 N N . ARG C 1 1 ? 19.232 7.024 8.350 1.00 45.61 ? 1 ARG C N 1 ATOM 1514 C CA . ARG C 1 1 ? 20.459 6.242 8.615 1.00 46.50 ? 1 ARG C CA 1 ATOM 1515 C C . ARG C 1 1 ? 20.304 4.829 8.071 1.00 46.86 ? 1 ARG C C 1 ATOM 1516 O O . ARG C 1 1 ? 19.194 4.377 7.783 1.00 46.77 ? 1 ARG C O 1 ATOM 1517 C CB . ARG C 1 1 ? 20.741 6.206 10.130 1.00 46.75 ? 1 ARG C CB 1 ATOM 1518 C CG . ARG C 1 1 ? 19.798 5.354 10.978 1.00 48.49 ? 1 ARG C CG 1 ATOM 1519 C CD . ARG C 1 1 ? 20.345 5.234 12.399 1.00 50.65 ? 1 ARG C CD 1 ATOM 1520 N NE . ARG C 1 1 ? 19.645 4.265 13.242 1.00 54.15 ? 1 ARG C NE 1 ATOM 1521 C CZ . ARG C 1 1 ? 18.399 4.401 13.697 1.00 55.81 ? 1 ARG C CZ 1 ATOM 1522 N NH1 . ARG C 1 1 ? 17.675 5.477 13.396 1.00 54.45 ? 1 ARG C NH1 1 ATOM 1523 N NH2 . ARG C 1 1 ? 17.879 3.454 14.468 1.00 55.93 ? 1 ARG C NH2 1 ATOM 1524 N N . LEU C 1 2 ? 21.427 4.145 7.891 1.00 47.58 ? 2 LEU C N 1 ATOM 1525 C CA . LEU C 1 2 ? 21.399 2.776 7.419 1.00 48.10 ? 2 LEU C CA 1 ATOM 1526 C C . LEU C 1 2 ? 21.293 1.785 8.573 1.00 46.98 ? 2 LEU C C 1 ATOM 1527 O O . LEU C 1 2 ? 22.093 1.822 9.507 1.00 47.56 ? 2 LEU C O 1 ATOM 1528 C CB . LEU C 1 2 ? 22.675 2.440 6.619 1.00 49.73 ? 2 LEU C CB 1 ATOM 1529 C CG . LEU C 1 2 ? 22.610 2.716 5.112 1.00 52.02 ? 2 LEU C CG 1 ATOM 1530 C CD1 . LEU C 1 2 ? 23.952 2.406 4.468 1.00 53.44 ? 2 LEU C CD1 1 ATOM 1531 C CD2 . LEU C 1 2 ? 21.503 1.883 4.476 1.00 52.57 ? 2 LEU C CD2 1 ATOM 1532 N N . ILE C 1 3 ? 20.277 0.933 8.534 1.00 46.23 ? 3 ILE C N 1 ATOM 1533 C CA . ILE C 1 3 ? 20.181 -0.116 9.535 1.00 46.54 ? 3 ILE C CA 1 ATOM 1534 C C . ILE C 1 3 ? 19.924 -1.474 8.876 1.00 46.23 ? 3 ILE C C 1 ATOM 1535 O O . ILE C 1 3 ? 19.448 -1.557 7.738 1.00 46.41 ? 3 ILE C O 1 ATOM 1536 C CB . ILE C 1 3 ? 19.073 0.120 10.582 1.00 46.84 ? 3 ILE C CB 1 ATOM 1537 C CG1 . ILE C 1 3 ? 17.703 0.125 9.910 1.00 46.94 ? 3 ILE C CG1 1 ATOM 1538 C CG2 . ILE C 1 3 ? 19.336 1.423 11.329 1.00 47.34 ? 3 ILE C CG2 1 ATOM 1539 C CD1 . ILE C 1 3 ? 16.559 0.251 10.894 1.00 48.89 ? 3 ILE C CD1 1 ATOM 1540 N N . HIS C 1 4 ? 20.258 -2.531 9.609 1.00 46.99 ? 4 HIS C N 1 ATOM 1541 C CA . HIS C 1 4 ? 20.039 -3.895 9.161 1.00 47.32 ? 4 HIS C CA 1 ATOM 1542 C C . HIS C 1 4 ? 18.741 -4.441 9.754 1.00 45.74 ? 4 HIS C C 1 ATOM 1543 O O . HIS C 1 4 ? 18.613 -4.558 10.967 1.00 45.50 ? 4 HIS C O 1 ATOM 1544 C CB . HIS C 1 4 ? 21.193 -4.798 9.620 1.00 51.25 ? 4 HIS C CB 1 ATOM 1545 C CG . HIS C 1 4 ? 22.463 -4.592 8.857 1.00 54.23 ? 4 HIS C CG 1 ATOM 1546 N ND1 . HIS C 1 4 ? 22.749 -5.268 7.690 1.00 56.13 ? 4 HIS C ND1 1 ATOM 1547 C CD2 . HIS C 1 4 ? 23.522 -3.782 9.093 1.00 56.45 ? 4 HIS C CD2 1 ATOM 1548 C CE1 . HIS C 1 4 ? 23.933 -4.887 7.242 1.00 58.34 ? 4 HIS C CE1 1 ATOM 1549 N NE2 . HIS C 1 4 ? 24.424 -3.986 8.075 1.00 58.40 ? 4 HIS C NE2 1 ATOM 1550 N N . VAL C 1 5 ? 17.769 -4.740 8.901 1.00 45.01 ? 5 VAL C N 1 ATOM 1551 C CA . VAL C 1 5 ? 16.535 -5.346 9.382 1.00 44.33 ? 5 VAL C CA 1 ATOM 1552 C C . VAL C 1 5 ? 16.162 -6.534 8.500 1.00 43.84 ? 5 VAL C C 1 ATOM 1553 O O . VAL C 1 5 ? 16.554 -6.611 7.334 1.00 46.02 ? 5 VAL C O 1 ATOM 1554 C CB . VAL C 1 5 ? 15.341 -4.357 9.402 1.00 44.97 ? 5 VAL C CB 1 ATOM 1555 C CG1 . VAL C 1 5 ? 15.666 -3.165 10.283 1.00 44.50 ? 5 VAL C CG1 1 ATOM 1556 C CG2 . VAL C 1 5 ? 15.001 -3.910 7.992 1.00 47.10 ? 5 VAL C CG2 1 ATOM 1557 N N . SER C 1 6 ? 15.427 -7.474 9.069 1.00 42.08 ? 6 SER C N 1 ATOM 1558 C CA . SER C 1 6 ? 14.980 -8.606 8.304 1.00 40.56 ? 6 SER C CA 1 ATOM 1559 C C . SER C 1 6 ? 13.466 -8.736 8.306 1.00 40.72 ? 6 SER C C 1 ATOM 1560 O O . SER C 1 6 ? 12.793 -8.311 9.248 1.00 40.32 ? 6 SER C O 1 ATOM 1561 C CB . SER C 1 6 ? 15.539 -9.926 8.900 1.00 39.46 ? 6 SER C CB 1 ATOM 1562 O OG . SER C 1 6 ? 16.937 -10.023 8.689 1.00 37.97 ? 6 SER C OG 1 ATOM 1563 N N . ARG C 1 7 ? 12.956 -9.235 7.186 1.00 40.49 ? 7 ARG C N 1 ATOM 1564 C CA . ARG C 1 7 ? 11.565 -9.663 7.153 1.00 41.49 ? 7 ARG C CA 1 ATOM 1565 C C . ARG C 1 7 ? 11.707 -11.218 7.102 1.00 41.34 ? 7 ARG C C 1 ATOM 1566 O O . ARG C 1 7 ? 12.583 -11.753 6.413 1.00 40.71 ? 7 ARG C O 1 ATOM 1567 C CB . ARG C 1 7 ? 10.811 -9.181 5.925 1.00 41.94 ? 7 ARG C CB 1 ATOM 1568 C CG . ARG C 1 7 ? 9.559 -9.990 5.608 1.00 42.38 ? 7 ARG C CG 1 ATOM 1569 C CD . ARG C 1 7 ? 9.042 -9.679 4.211 1.00 44.01 ? 7 ARG C CD 1 ATOM 1570 N NE . ARG C 1 7 ? 7.863 -10.478 3.886 1.00 46.36 ? 7 ARG C NE 1 ATOM 1571 C CZ . ARG C 1 7 ? 7.446 -10.714 2.649 1.00 48.62 ? 7 ARG C CZ 1 ATOM 1572 N NH1 . ARG C 1 7 ? 8.119 -10.213 1.622 1.00 50.62 ? 7 ARG C NH1 1 ATOM 1573 N NH2 . ARG C 1 7 ? 6.369 -11.456 2.436 1.00 48.84 ? 7 ARG C NH2 1 ATOM 1574 N N . CYS C 1 8 ? 10.873 -11.919 7.865 1.00 39.89 ? 8 CYS C N 1 ATOM 1575 C CA . CYS C 1 8 ? 10.902 -13.370 7.873 1.00 40.42 ? 8 CYS C CA 1 ATOM 1576 C C . CYS C 1 8 ? 9.534 -13.965 7.592 1.00 40.90 ? 8 CYS C C 1 ATOM 1577 O O . CYS C 1 8 ? 8.510 -13.435 8.025 1.00 42.64 ? 8 CYS C O 1 ATOM 1578 C CB . CYS C 1 8 ? 11.382 -13.908 9.230 1.00 39.06 ? 8 CYS C CB 1 ATOM 1579 S SG . CYS C 1 8 ? 13.139 -13.607 9.664 1.00 41.82 ? 8 CYS C SG 1 ATOM 1580 N N . GLU C 1 9 ? 9.544 -15.045 6.815 1.00 40.40 ? 9 GLU C N 1 ATOM 1581 C CA . GLU C 1 9 ? 8.341 -15.819 6.531 1.00 41.35 ? 9 GLU C CA 1 ATOM 1582 C C . GLU C 1 9 ? 8.688 -17.260 6.910 1.00 40.95 ? 9 GLU C C 1 ATOM 1583 O O . GLU C 1 9 ? 9.838 -17.683 6.805 1.00 40.95 ? 9 GLU C O 1 ATOM 1584 C CB . GLU C 1 9 ? 7.940 -15.759 5.054 1.00 41.64 ? 9 GLU C CB 1 ATOM 1585 C CG . GLU C 1 9 ? 7.605 -14.354 4.550 1.00 44.38 ? 9 GLU C CG 1 ATOM 1586 C CD . GLU C 1 9 ? 6.448 -13.721 5.299 1.00 46.26 ? 9 GLU C CD 1 ATOM 1587 O OE1 . GLU C 1 9 ? 5.589 -14.478 5.798 1.00 46.37 ? 9 GLU C OE1 1 ATOM 1588 O OE2 . GLU C 1 9 ? 6.389 -12.472 5.378 1.00 49.03 ? 9 GLU C OE2 1 ATOM 1589 N N . MET C 1 10 ? 7.705 -18.019 7.365 1.00 40.96 ? 10 MET C N 1 ATOM 1590 C CA . MET C 1 10 ? 7.987 -19.393 7.730 1.00 42.06 ? 10 MET C CA 1 ATOM 1591 C C . MET C 1 10 ? 6.762 -20.267 7.541 1.00 42.06 ? 10 MET C C 1 ATOM 1592 O O . MET C 1 10 ? 5.647 -19.768 7.389 1.00 43.55 ? 10 MET C O 1 ATOM 1593 C CB . MET C 1 10 ? 8.482 -19.459 9.175 1.00 42.05 ? 10 MET C CB 1 ATOM 1594 C CG . MET C 1 10 ? 7.389 -19.276 10.188 1.00 41.74 ? 10 MET C CG 1 ATOM 1595 S SD . MET C 1 10 ? 8.008 -19.203 11.874 1.00 43.79 ? 10 MET C SD 1 ATOM 1596 C CE . MET C 1 10 ? 8.651 -17.547 11.919 1.00 39.20 ? 10 MET C CE 1 ATOM 1597 N N . GLY C 1 11 ? 6.977 -21.575 7.538 1.00 41.73 ? 11 GLY C N 1 ATOM 1598 C CA . GLY C 1 11 ? 5.872 -22.484 7.340 1.00 41.71 ? 11 GLY C CA 1 ATOM 1599 C C . GLY C 1 11 ? 6.245 -23.927 7.559 1.00 43.26 ? 11 GLY C C 1 ATOM 1600 O O . GLY C 1 11 ? 7.416 -24.257 7.793 1.00 44.77 ? 11 GLY C O 1 ATOM 1601 N N . THR C 1 12 ? 5.236 -24.792 7.503 1.00 42.59 ? 12 THR C N 1 ATOM 1602 C CA . THR C 1 12 ? 5.440 -26.223 7.663 1.00 43.94 ? 12 THR C CA 1 ATOM 1603 C C . THR C 1 12 ? 4.682 -26.990 6.576 1.00 44.65 ? 12 THR C C 1 ATOM 1604 O O . THR C 1 12 ? 3.736 -26.473 5.978 1.00 44.87 ? 12 THR C O 1 ATOM 1605 C CB . THR C 1 12 ? 4.949 -26.731 9.049 1.00 44.68 ? 12 THR C CB 1 ATOM 1606 O OG1 . THR C 1 12 ? 3.518 -26.714 9.098 1.00 45.23 ? 12 THR C OG1 1 ATOM 1607 C CG2 . THR C 1 12 ? 5.512 -25.858 10.169 1.00 43.38 ? 12 THR C CG2 1 ATOM 1608 N N . SER C 1 13 ? 5.119 -28.213 6.303 1.00 44.10 ? 13 SER C N 1 ATOM 1609 C CA . SER C 1 13 ? 4.444 -29.050 5.316 1.00 44.21 ? 13 SER C CA 1 ATOM 1610 C C . SER C 1 13 ? 4.442 -30.496 5.809 1.00 43.11 ? 13 SER C C 1 ATOM 1611 O O . SER C 1 13 ? 5.494 -31.124 5.965 1.00 42.32 ? 13 SER C O 1 ATOM 1612 C CB . SER C 1 13 ? 5.120 -28.923 3.954 1.00 46.45 ? 13 SER C CB 1 ATOM 1613 O OG . SER C 1 13 ? 4.421 -29.665 2.973 1.00 49.50 ? 13 SER C OG 1 ATOM 1614 N N . THR C 1 14 ? 3.241 -31.008 6.055 1.00 42.99 ? 14 THR C N 1 ATOM 1615 C CA . THR C 1 14 ? 3.062 -32.346 6.581 1.00 44.03 ? 14 THR C CA 1 ATOM 1616 C C . THR C 1 14 ? 2.747 -33.403 5.537 1.00 44.66 ? 14 THR C C 1 ATOM 1617 O O . THR C 1 14 ? 1.898 -33.208 4.668 1.00 45.47 ? 14 THR C O 1 ATOM 1618 C CB . THR C 1 14 ? 1.929 -32.354 7.640 1.00 44.27 ? 14 THR C CB 1 ATOM 1619 O OG1 . THR C 1 14 ? 2.234 -31.414 8.679 1.00 45.47 ? 14 THR C OG1 1 ATOM 1620 C CG2 . THR C 1 14 ? 1.769 -33.746 8.251 1.00 44.51 ? 14 THR C CG2 1 ATOM 1621 N N . HIS C 1 15 ? 3.471 -34.514 5.630 1.00 45.36 ? 15 HIS C N 1 ATOM 1622 C CA . HIS C 1 15 ? 3.276 -35.655 4.775 1.00 46.16 ? 15 HIS C CA 1 ATOM 1623 C C . HIS C 1 15 ? 2.967 -36.875 5.630 1.00 47.64 ? 15 HIS C C 1 ATOM 1624 O O . HIS C 1 15 ? 3.852 -37.372 6.347 1.00 47.53 ? 15 HIS C O 1 ATOM 1625 C CB . HIS C 1 15 ? 4.537 -35.967 3.934 1.00 44.40 ? 15 HIS C CB 1 ATOM 1626 C CG . HIS C 1 15 ? 4.888 -34.890 2.957 1.00 45.07 ? 15 HIS C CG 1 ATOM 1627 N ND1 . HIS C 1 15 ? 4.895 -35.092 1.594 1.00 45.51 ? 15 HIS C ND1 1 ATOM 1628 C CD2 . HIS C 1 15 ? 5.244 -33.598 3.148 1.00 45.86 ? 15 HIS C CD2 1 ATOM 1629 C CE1 . HIS C 1 15 ? 5.243 -33.972 0.985 1.00 45.67 ? 15 HIS C CE1 1 ATOM 1630 N NE2 . HIS C 1 15 ? 5.460 -33.050 1.905 1.00 46.94 ? 15 HIS C NE2 1 ATOM 1631 N N . ARG C 1 16 ? 1.708 -37.282 5.685 1.00 49.52 ? 16 ARG C N 1 ATOM 1632 C CA . ARG C 1 16 ? 1.445 -38.572 6.307 1.00 52.36 ? 16 ARG C CA 1 ATOM 1633 C C . ARG C 1 16 ? 1.201 -39.576 5.181 1.00 52.89 ? 16 ARG C C 1 ATOM 1634 O O . ARG C 1 16 ? 0.243 -39.489 4.410 1.00 52.53 ? 16 ARG C O 1 ATOM 1635 C CB . ARG C 1 16 ? 0.263 -38.587 7.223 1.00 55.04 ? 16 ARG C CB 1 ATOM 1636 C CG . ARG C 1 16 ? 0.495 -37.797 8.508 1.00 58.78 ? 16 ARG C CG 1 ATOM 1637 C CD . ARG C 1 16 ? -0.771 -37.081 8.974 1.00 61.46 ? 16 ARG C CD 1 ATOM 1638 N NE . ARG C 1 16 ? -0.808 -36.808 10.422 1.00 64.59 ? 16 ARG C NE 1 ATOM 1639 C CZ . ARG C 1 16 ? -1.893 -37.013 11.190 1.00 67.70 ? 16 ARG C CZ 1 ATOM 1640 N NH1 . ARG C 1 16 ? -3.005 -37.487 10.656 1.00 69.00 ? 16 ARG C NH1 1 ATOM 1641 N NH2 . ARG C 1 16 ? -1.895 -36.747 12.495 1.00 69.72 ? 16 ARG C NH2 1 ATOM 1642 N N . CYS C 1 17 ? 1.983 -40.655 5.245 1.00 53.05 ? 17 CYS C N 1 ATOM 1643 C CA . CYS C 1 17 ? 1.973 -41.633 4.195 1.00 53.04 ? 17 CYS C CA 1 ATOM 1644 C C . CYS C 1 17 ? 1.478 -42.978 4.660 1.00 52.96 ? 17 CYS C C 1 ATOM 1645 O O . CYS C 1 17 ? 0.829 -43.691 3.900 1.00 55.21 ? 17 CYS C O 1 ATOM 1646 C CB . CYS C 1 17 ? 3.402 -41.731 3.638 1.00 52.06 ? 17 CYS C CB 1 ATOM 1647 S SG . CYS C 1 17 ? 4.238 -40.125 3.499 1.00 54.28 ? 17 CYS C SG 1 ATOM 1648 N N . TRP C 1 18 ? 1.788 -43.320 5.908 1.00 52.09 ? 18 TRP C N 1 ATOM 1649 C CA . TRP C 1 18 ? 1.363 -44.573 6.521 1.00 52.13 ? 18 TRP C CA 1 ATOM 1650 C C . TRP C 1 18 ? -0.107 -44.848 6.204 1.00 52.72 ? 18 TRP C C 1 ATOM 1651 O O . TRP C 1 18 ? -0.944 -43.949 6.297 1.00 52.69 ? 18 TRP C O 1 ATOM 1652 C CB . TRP C 1 18 ? 1.548 -44.485 8.046 1.00 50.95 ? 18 TRP C CB 1 ATOM 1653 C CG . TRP C 1 18 ? 1.028 -45.668 8.793 1.00 50.72 ? 18 TRP C CG 1 ATOM 1654 C CD1 . TRP C 1 18 ? -0.192 -45.789 9.395 1.00 51.61 ? 18 TRP C CD1 1 ATOM 1655 C CD2 . TRP C 1 18 ? 1.707 -46.907 9.010 1.00 49.24 ? 18 TRP C CD2 1 ATOM 1656 N NE1 . TRP C 1 18 ? -0.309 -47.025 9.985 1.00 51.38 ? 18 TRP C NE1 1 ATOM 1657 C CE2 . TRP C 1 18 ? 0.843 -47.731 9.760 1.00 49.68 ? 18 TRP C CE2 1 ATOM 1658 C CE3 . TRP C 1 18 ? 2.965 -47.401 8.644 1.00 48.33 ? 18 TRP C CE3 1 ATOM 1659 C CZ2 . TRP C 1 18 ? 1.195 -49.019 10.153 1.00 49.89 ? 18 TRP C CZ2 1 ATOM 1660 C CZ3 . TRP C 1 18 ? 3.316 -48.681 9.037 1.00 49.16 ? 18 TRP C CZ3 1 ATOM 1661 C CH2 . TRP C 1 18 ? 2.434 -49.477 9.785 1.00 50.06 ? 18 TRP C CH2 1 ATOM 1662 N N . PRO C 1 19 ? -0.448 -46.119 5.878 1.00 52.46 ? 19 PRO C N 1 ATOM 1663 C CA . PRO C 1 19 ? 0.398 -47.315 5.800 1.00 50.35 ? 19 PRO C CA 1 ATOM 1664 C C . PRO C 1 19 ? 1.248 -47.462 4.553 1.00 48.89 ? 19 PRO C C 1 ATOM 1665 O O . PRO C 1 19 ? 1.890 -48.498 4.372 1.00 48.61 ? 19 PRO C O 1 ATOM 1666 C CB . PRO C 1 19 ? -0.576 -48.455 5.983 1.00 50.08 ? 19 PRO C CB 1 ATOM 1667 C CG . PRO C 1 19 ? -1.778 -47.963 5.267 1.00 52.10 ? 19 PRO C CG 1 ATOM 1668 C CD . PRO C 1 19 ? -1.840 -46.460 5.528 1.00 54.07 ? 19 PRO C CD 1 ATOM 1669 N N . ARG C 1 20 ? 1.205 -46.479 3.668 1.00 47.24 ? 20 ARG C N 1 ATOM 1670 C CA . ARG C 1 20 ? 2.095 -46.532 2.529 1.00 47.93 ? 20 ARG C CA 1 ATOM 1671 C C . ARG C 1 20 ? 3.405 -45.820 2.914 1.00 47.67 ? 20 ARG C C 1 ATOM 1672 O O . ARG C 1 20 ? 3.439 -45.029 3.856 1.00 48.25 ? 20 ARG C O 1 ATOM 1673 C CB . ARG C 1 20 ? 1.552 -45.701 1.335 1.00 48.95 ? 20 ARG C CB 1 ATOM 1674 C CG . ARG C 1 20 ? 0.074 -45.880 1.012 1.00 50.83 ? 20 ARG C CG 1 ATOM 1675 C CD . ARG C 1 20 ? -0.280 -45.129 -0.275 1.00 52.78 ? 20 ARG C CD 1 ATOM 1676 N NE . ARG C 1 20 ? -1.621 -45.433 -0.761 1.00 54.52 ? 20 ARG C NE 1 ATOM 1677 C CZ . ARG C 1 20 ? -2.740 -44.939 -0.240 1.00 57.31 ? 20 ARG C CZ 1 ATOM 1678 N NH1 . ARG C 1 20 ? -2.684 -44.108 0.793 1.00 58.32 ? 20 ARG C NH1 1 ATOM 1679 N NH2 . ARG C 1 20 ? -3.920 -45.278 -0.750 1.00 57.13 ? 20 ARG C NH2 1 ATOM 1680 N N . PRO C 1 21 ? 4.519 -46.208 2.263 1.00 47.98 ? 21 PRO C N 1 ATOM 1681 C CA . PRO C 1 21 ? 5.778 -45.541 2.616 1.00 48.18 ? 21 PRO C CA 1 ATOM 1682 C C . PRO C 1 21 ? 5.702 -44.198 1.811 1.00 49.15 ? 21 PRO C C 1 ATOM 1683 O O . PRO C 1 21 ? 5.097 -44.131 0.728 1.00 49.61 ? 21 PRO C O 1 ATOM 1684 C CB . PRO C 1 21 ? 6.861 -46.424 1.994 1.00 47.23 ? 21 PRO C CB 1 ATOM 1685 C CG . PRO C 1 21 ? 6.205 -47.753 1.785 1.00 49.51 ? 21 PRO C CG 1 ATOM 1686 C CD . PRO C 1 21 ? 4.769 -47.432 1.470 1.00 49.11 ? 21 PRO C CD 1 ATOM 1687 N N . CYS C 1 22 ? 6.298 -43.139 2.350 1.00 49.07 ? 22 CYS C N 1 ATOM 1688 C CA . CYS C 1 22 ? 6.313 -41.858 1.665 1.00 49.20 ? 22 CYS C CA 1 ATOM 1689 C C . CYS C 1 22 ? 7.145 -41.990 0.394 1.00 49.85 ? 22 CYS C C 1 ATOM 1690 O O . CYS C 1 22 ? 8.032 -42.839 0.318 1.00 48.55 ? 22 CYS C O 1 ATOM 1691 C CB . CYS C 1 22 ? 6.965 -40.790 2.553 1.00 49.53 ? 22 CYS C CB 1 ATOM 1692 S SG . CYS C 1 22 ? 6.118 -40.553 4.135 1.00 50.74 ? 22 CYS C SG 1 ATOM 1693 N N . ASP C 1 23 ? 6.839 -41.173 -0.611 1.00 50.14 ? 23 ASP C N 1 ATOM 1694 C CA . ASP C 1 23 ? 7.630 -41.189 -1.840 1.00 50.66 ? 23 ASP C CA 1 ATOM 1695 C C . ASP C 1 23 ? 9.088 -40.869 -1.490 1.00 49.66 ? 23 ASP C C 1 ATOM 1696 O O . ASP C 1 23 ? 9.377 -40.180 -0.503 1.00 49.78 ? 23 ASP C O 1 ATOM 1697 C CB . ASP C 1 23 ? 7.103 -40.155 -2.842 1.00 53.04 ? 23 ASP C CB 1 ATOM 1698 C CG . ASP C 1 23 ? 5.637 -40.370 -3.162 1.00 56.91 ? 23 ASP C CG 1 ATOM 1699 O OD1 . ASP C 1 23 ? 5.023 -39.490 -3.803 1.00 59.22 ? 23 ASP C OD1 1 ATOM 1700 O OD2 . ASP C 1 23 ? 5.095 -41.425 -2.765 1.00 58.65 ? 23 ASP C OD2 1 ATOM 1701 N N . THR C 1 24 ? 9.997 -41.391 -2.304 1.00 48.37 ? 24 THR C N 1 ATOM 1702 C CA . THR C 1 24 ? 11.427 -41.202 -2.098 1.00 47.64 ? 24 THR C CA 1 ATOM 1703 C C . THR C 1 24 ? 11.791 -39.727 -2.044 1.00 48.08 ? 24 THR C C 1 ATOM 1704 O O . THR C 1 24 ? 12.672 -39.327 -1.284 1.00 47.91 ? 24 THR C O 1 ATOM 1705 C CB . THR C 1 24 ? 12.238 -41.868 -3.218 1.00 47.13 ? 24 THR C CB 1 ATOM 1706 O OG1 . THR C 1 24 ? 11.832 -43.237 -3.346 1.00 49.40 ? 24 THR C OG1 1 ATOM 1707 C CG2 . THR C 1 24 ? 13.733 -41.798 -2.895 1.00 46.25 ? 24 THR C CG2 1 ATOM 1708 N N . SER C 1 25 ? 11.114 -38.917 -2.854 1.00 47.63 ? 25 SER C N 1 ATOM 1709 C CA . SER C 1 25 ? 11.370 -37.491 -2.857 1.00 47.67 ? 25 SER C CA 1 ATOM 1710 C C . SER C 1 25 ? 10.084 -36.692 -2.970 1.00 47.14 ? 25 SER C C 1 ATOM 1711 O O . SER C 1 25 ? 9.045 -37.222 -3.357 1.00 47.22 ? 25 SER C O 1 ATOM 1712 C CB . SER C 1 25 ? 12.283 -37.116 -4.032 1.00 49.70 ? 25 SER C CB 1 ATOM 1713 O OG . SER C 1 25 ? 11.570 -37.131 -5.255 1.00 53.05 ? 25 SER C OG 1 ATOM 1714 N N . SER C 1 26 ? 10.157 -35.418 -2.593 1.00 47.30 ? 26 SER C N 1 ATOM 1715 C CA . SER C 1 26 ? 9.028 -34.508 -2.732 1.00 47.39 ? 26 SER C CA 1 ATOM 1716 C C . SER C 1 26 ? 9.560 -33.102 -3.025 1.00 48.85 ? 26 SER C C 1 ATOM 1717 O O . SER C 1 26 ? 10.651 -32.731 -2.577 1.00 47.96 ? 26 SER C O 1 ATOM 1718 C CB . SER C 1 26 ? 8.144 -34.493 -1.483 1.00 47.64 ? 26 SER C CB 1 ATOM 1719 O OG . SER C 1 26 ? 8.817 -33.940 -0.371 1.00 50.88 ? 26 SER C OG 1 ATOM 1720 N N . ASP C 1 27 ? 8.806 -32.337 -3.816 1.00 49.90 ? 27 ASP C N 1 ATOM 1721 C CA . ASP C 1 27 ? 9.183 -30.960 -4.169 1.00 51.72 ? 27 ASP C CA 1 ATOM 1722 C C . ASP C 1 27 ? 7.909 -30.128 -4.237 1.00 53.48 ? 27 ASP C C 1 ATOM 1723 O O . ASP C 1 27 ? 7.043 -30.370 -5.079 1.00 54.24 ? 27 ASP C O 1 ATOM 1724 C CB . ASP C 1 27 ? 9.925 -30.928 -5.499 1.00 51.22 ? 27 ASP C CB 1 ATOM 1725 C CG . ASP C 1 27 ? 11.296 -31.557 -5.402 1.00 52.58 ? 27 ASP C CG 1 ATOM 1726 O OD1 . ASP C 1 27 ? 12.214 -30.902 -4.872 1.00 52.96 ? 27 ASP C OD1 1 ATOM 1727 O OD2 . ASP C 1 27 ? 11.456 -32.714 -5.846 1.00 54.93 ? 27 ASP C OD2 1 ATOM 1728 N N . GLU C 1 28 ? 7.810 -29.138 -3.355 1.00 53.97 ? 28 GLU C N 1 ATOM 1729 C CA . GLU C 1 28 ? 6.603 -28.325 -3.253 1.00 55.71 ? 28 GLU C CA 1 ATOM 1730 C C . GLU C 1 28 ? 6.861 -26.859 -3.512 1.00 55.82 ? 28 GLU C C 1 ATOM 1731 O O . GLU C 1 28 ? 7.686 -26.240 -2.842 1.00 55.43 ? 28 GLU C O 1 ATOM 1732 C CB . GLU C 1 28 ? 6.006 -28.508 -1.844 1.00 56.72 ? 28 GLU C CB 1 ATOM 1733 C CG . GLU C 1 28 ? 4.743 -27.713 -1.582 1.00 58.84 ? 28 GLU C CG 1 ATOM 1734 C CD . GLU C 1 28 ? 4.214 -27.925 -0.177 1.00 61.37 ? 28 GLU C CD 1 ATOM 1735 O OE1 . GLU C 1 28 ? 3.350 -27.134 0.263 1.00 63.09 ? 28 GLU C OE1 1 ATOM 1736 O OE2 . GLU C 1 28 ? 4.662 -28.888 0.486 1.00 62.09 ? 28 GLU C OE2 1 ATOM 1737 N N . PRO C 1 29 ? 6.164 -26.269 -4.499 1.00 56.82 ? 29 PRO C N 1 ATOM 1738 C CA . PRO C 1 29 ? 6.433 -24.848 -4.729 1.00 56.09 ? 29 PRO C CA 1 ATOM 1739 C C . PRO C 1 29 ? 5.805 -23.969 -3.653 1.00 55.33 ? 29 PRO C C 1 ATOM 1740 O O . PRO C 1 29 ? 4.606 -24.071 -3.363 1.00 54.78 ? 29 PRO C O 1 ATOM 1741 C CB . PRO C 1 29 ? 5.844 -24.592 -6.111 1.00 57.55 ? 29 PRO C CB 1 ATOM 1742 C CG . PRO C 1 29 ? 4.688 -25.533 -6.180 1.00 59.25 ? 29 PRO C CG 1 ATOM 1743 C CD . PRO C 1 29 ? 5.126 -26.784 -5.419 1.00 57.99 ? 29 PRO C CD 1 ATOM 1744 N N . ILE C 1 30 ? 6.632 -23.112 -3.059 1.00 54.06 ? 30 ILE C N 1 ATOM 1745 C CA . ILE C 1 30 ? 6.181 -22.196 -2.022 1.00 53.15 ? 30 ILE C CA 1 ATOM 1746 C C . ILE C 1 30 ? 6.289 -20.767 -2.540 1.00 53.27 ? 30 ILE C C 1 ATOM 1747 O O . ILE C 1 30 ? 7.304 -20.389 -3.140 1.00 52.29 ? 30 ILE C O 1 ATOM 1748 C CB . ILE C 1 30 ? 7.061 -22.323 -0.745 1.00 52.72 ? 30 ILE C CB 1 ATOM 1749 C CG1 . ILE C 1 30 ? 7.086 -23.780 -0.269 1.00 49.64 ? 30 ILE C CG1 1 ATOM 1750 C CG2 . ILE C 1 30 ? 6.517 -21.412 0.354 1.00 52.57 ? 30 ILE C CG2 1 ATOM 1751 C CD1 . ILE C 1 30 ? 5.786 -24.261 0.312 1.00 48.02 ? 30 ILE C CD1 1 ATOM 1752 N N . SER C 1 31 ? 5.234 -19.987 -2.310 1.00 53.20 ? 31 SER C N 1 ATOM 1753 C CA . SER C 1 31 ? 5.197 -18.591 -2.732 1.00 54.76 ? 31 SER C CA 1 ATOM 1754 C C . SER C 1 31 ? 5.351 -17.615 -1.567 1.00 54.78 ? 31 SER C C 1 ATOM 1755 O O . SER C 1 31 ? 4.865 -17.866 -0.468 1.00 55.31 ? 31 SER C O 1 ATOM 1756 C CB . SER C 1 31 ? 3.857 -18.274 -3.429 1.00 53.77 ? 31 SER C CB 1 ATOM 1757 O OG . SER C 1 31 ? 3.727 -18.997 -4.636 1.00 54.07 ? 31 SER C OG 1 ATOM 1758 N N . PHE C 1 32 ? 6.054 -16.515 -1.819 1.00 55.70 ? 32 PHE C N 1 ATOM 1759 C CA . PHE C 1 32 ? 6.188 -15.462 -0.824 1.00 55.98 ? 32 PHE C CA 1 ATOM 1760 C C . PHE C 1 32 ? 5.262 -14.309 -1.234 1.00 57.92 ? 32 PHE C C 1 ATOM 1761 O O . PHE C 1 32 ? 5.475 -13.691 -2.279 1.00 57.97 ? 32 PHE C O 1 ATOM 1762 C CB . PHE C 1 32 ? 7.616 -14.901 -0.758 1.00 53.17 ? 32 PHE C CB 1 ATOM 1763 C CG . PHE C 1 32 ? 8.647 -15.912 -0.367 1.00 50.67 ? 32 PHE C CG 1 ATOM 1764 C CD1 . PHE C 1 32 ? 8.404 -16.828 0.650 1.00 49.45 ? 32 PHE C CD1 1 ATOM 1765 C CD2 . PHE C 1 32 ? 9.874 -15.938 -1.009 1.00 50.28 ? 32 PHE C CD2 1 ATOM 1766 C CE1 . PHE C 1 32 ? 9.370 -17.753 1.013 1.00 48.56 ? 32 PHE C CE1 1 ATOM 1767 C CE2 . PHE C 1 32 ? 10.846 -16.855 -0.652 1.00 50.23 ? 32 PHE C CE2 1 ATOM 1768 C CZ . PHE C 1 32 ? 10.595 -17.765 0.358 1.00 50.17 ? 32 PHE C CZ 1 ATOM 1769 N N . TRP C 1 33 ? 4.225 -14.039 -0.444 1.00 59.47 ? 33 TRP C N 1 ATOM 1770 C CA . TRP C 1 33 ? 3.365 -12.896 -0.753 1.00 61.87 ? 33 TRP C CA 1 ATOM 1771 C C . TRP C 1 33 ? 3.306 -11.874 0.385 1.00 60.53 ? 33 TRP C C 1 ATOM 1772 O O . TRP C 1 33 ? 2.960 -12.204 1.520 1.00 60.97 ? 33 TRP C O 1 ATOM 1773 C CB . TRP C 1 33 ? 1.947 -13.305 -1.123 1.00 65.73 ? 33 TRP C CB 1 ATOM 1774 C CG . TRP C 1 33 ? 1.242 -12.172 -1.808 1.00 69.82 ? 33 TRP C CG 1 ATOM 1775 C CD1 . TRP C 1 33 ? 0.239 -11.392 -1.303 1.00 71.19 ? 33 TRP C CD1 1 ATOM 1776 C CD2 . TRP C 1 33 ? 1.521 -11.666 -3.120 1.00 71.26 ? 33 TRP C CD2 1 ATOM 1777 N NE1 . TRP C 1 33 ? -0.120 -10.431 -2.219 1.00 72.53 ? 33 TRP C NE1 1 ATOM 1778 C CE2 . TRP C 1 33 ? 0.649 -10.579 -3.344 1.00 72.51 ? 33 TRP C CE2 1 ATOM 1779 C CE3 . TRP C 1 33 ? 2.425 -12.027 -4.128 1.00 72.65 ? 33 TRP C CE3 1 ATOM 1780 C CZ2 . TRP C 1 33 ? 0.653 -9.850 -4.537 1.00 73.11 ? 33 TRP C CZ2 1 ATOM 1781 C CZ3 . TRP C 1 33 ? 2.429 -11.300 -5.314 1.00 73.06 ? 33 TRP C CZ3 1 ATOM 1782 C CH2 . TRP C 1 33 ? 1.547 -10.226 -5.507 1.00 72.97 ? 33 TRP C CH2 1 ATOM 1783 N N . PRO C 1 34 ? 3.698 -10.623 0.100 1.00 59.48 ? 34 PRO C N 1 ATOM 1784 C CA . PRO C 1 34 ? 4.215 -10.205 -1.214 1.00 59.33 ? 34 PRO C CA 1 ATOM 1785 C C . PRO C 1 34 ? 5.650 -10.687 -1.378 1.00 59.49 ? 34 PRO C C 1 ATOM 1786 O O . PRO C 1 34 ? 6.234 -11.226 -0.435 1.00 59.60 ? 34 PRO C O 1 ATOM 1787 C CB . PRO C 1 34 ? 4.163 -8.673 -1.141 1.00 59.11 ? 34 PRO C CB 1 ATOM 1788 C CG . PRO C 1 34 ? 4.147 -8.357 0.318 1.00 58.79 ? 34 PRO C CG 1 ATOM 1789 C CD . PRO C 1 34 ? 3.379 -9.468 0.956 1.00 59.36 ? 34 PRO C CD 1 ATOM 1790 N N . PRO C 1 35 ? 6.228 -10.552 -2.589 1.00 58.70 ? 35 PRO C N 1 ATOM 1791 C CA . PRO C 1 35 ? 7.611 -10.987 -2.817 1.00 59.28 ? 35 PRO C CA 1 ATOM 1792 C C . PRO C 1 35 ? 8.567 -10.240 -1.879 1.00 59.53 ? 35 PRO C C 1 ATOM 1793 O O . PRO C 1 35 ? 8.254 -9.151 -1.401 1.00 60.38 ? 35 PRO C O 1 ATOM 1794 C CB . PRO C 1 35 ? 7.877 -10.555 -4.255 1.00 58.49 ? 35 PRO C CB 1 ATOM 1795 C CG . PRO C 1 35 ? 6.565 -10.717 -4.910 1.00 58.08 ? 35 PRO C CG 1 ATOM 1796 C CD . PRO C 1 35 ? 5.546 -10.282 -3.875 1.00 58.75 ? 35 PRO C CD 1 ATOM 1797 N N . PHE C 1 36 ? 9.726 -10.833 -1.619 1.00 60.06 ? 36 PHE C N 1 ATOM 1798 C CA . PHE C 1 36 ? 10.732 -10.171 -0.808 1.00 60.44 ? 36 PHE C CA 1 ATOM 1799 C C . PHE C 1 36 ? 11.351 -9.019 -1.614 1.00 62.50 ? 36 PHE C C 1 ATOM 1800 O O . PHE C 1 36 ? 11.251 -8.984 -2.843 1.00 63.28 ? 36 PHE C O 1 ATOM 1801 C CB . PHE C 1 36 ? 11.852 -11.156 -0.426 1.00 58.24 ? 36 PHE C CB 1 ATOM 1802 C CG . PHE C 1 36 ? 11.545 -11.971 0.792 1.00 57.10 ? 36 PHE C CG 1 ATOM 1803 C CD1 . PHE C 1 36 ? 10.917 -13.202 0.684 1.00 57.72 ? 36 PHE C CD1 1 ATOM 1804 C CD2 . PHE C 1 36 ? 11.876 -11.500 2.058 1.00 55.99 ? 36 PHE C CD2 1 ATOM 1805 C CE1 . PHE C 1 36 ? 10.625 -13.955 1.815 1.00 57.12 ? 36 PHE C CE1 1 ATOM 1806 C CE2 . PHE C 1 36 ? 11.589 -12.246 3.192 1.00 55.41 ? 36 PHE C CE2 1 ATOM 1807 C CZ . PHE C 1 36 ? 10.964 -13.476 3.069 1.00 55.78 ? 36 PHE C CZ 1 ATOM 1808 N N . GLU C 1 37 ? 11.953 -8.060 -0.912 1.00 63.56 ? 37 GLU C N 1 ATOM 1809 C CA . GLU C 1 37 ? 12.648 -6.962 -1.582 1.00 65.73 ? 37 GLU C CA 1 ATOM 1810 C C . GLU C 1 37 ? 13.976 -7.527 -2.099 1.00 65.25 ? 37 GLU C C 1 ATOM 1811 O O . GLU C 1 37 ? 14.319 -7.347 -3.268 1.00 65.54 ? 37 GLU C O 1 ATOM 1812 C CB . GLU C 1 37 ? 12.908 -5.810 -0.615 1.00 68.65 ? 37 GLU C CB 1 ATOM 1813 C CG . GLU C 1 37 ? 11.645 -5.080 -0.165 1.00 72.75 ? 37 GLU C CG 1 ATOM 1814 C CD . GLU C 1 37 ? 11.076 -4.149 -1.228 1.00 75.24 ? 37 GLU C CD 1 ATOM 1815 O OE1 . GLU C 1 37 ? 11.662 -4.051 -2.330 1.00 75.52 ? 37 GLU C OE1 1 ATOM 1816 O OE2 . GLU C 1 37 ? 10.039 -3.507 -0.954 1.00 76.41 ? 37 GLU C OE2 1 ATOM 1817 N N . ASN C 1 38 ? 14.715 -8.193 -1.216 1.00 64.76 ? 38 ASN C N 1 ATOM 1818 C CA . ASN C 1 38 ? 15.963 -8.842 -1.599 1.00 64.43 ? 38 ASN C CA 1 ATOM 1819 C C . ASN C 1 38 ? 15.752 -10.359 -1.585 1.00 62.91 ? 38 ASN C C 1 ATOM 1820 O O . ASN C 1 38 ? 14.830 -10.854 -0.942 1.00 63.00 ? 38 ASN C O 1 ATOM 1821 C CB . ASN C 1 38 ? 17.095 -8.480 -0.632 1.00 65.96 ? 38 ASN C CB 1 ATOM 1822 C CG . ASN C 1 38 ? 17.546 -7.043 -0.789 1.00 68.16 ? 38 ASN C CG 1 ATOM 1823 O OD1 . ASN C 1 38 ? 16.938 -6.121 -0.242 1.00 69.55 ? 38 ASN C OD1 1 ATOM 1824 N ND2 . ASN C 1 38 ? 18.612 -6.842 -1.556 1.00 69.65 ? 38 ASN C ND2 1 ATOM 1825 N N . THR C 1 39 ? 16.589 -11.095 -2.318 1.00 60.75 ? 39 THR C N 1 ATOM 1826 C CA . THR C 1 39 ? 16.480 -12.563 -2.336 1.00 58.34 ? 39 THR C CA 1 ATOM 1827 C C . THR C 1 39 ? 16.883 -13.053 -0.946 1.00 55.61 ? 39 THR C C 1 ATOM 1828 O O . THR C 1 39 ? 18.032 -12.899 -0.520 1.00 54.84 ? 39 THR C O 1 ATOM 1829 C CB . THR C 1 39 ? 17.367 -13.176 -3.407 1.00 59.10 ? 39 THR C CB 1 ATOM 1830 O OG1 . THR C 1 39 ? 16.946 -12.689 -4.690 1.00 60.92 ? 39 THR C OG1 1 ATOM 1831 C CG2 . THR C 1 39 ? 17.235 -14.693 -3.379 1.00 58.06 ? 39 THR C CG2 1 ATOM 1832 N N . PRO C 1 40 ? 15.938 -13.685 -0.237 1.00 52.26 ? 40 PRO C N 1 ATOM 1833 C CA . PRO C 1 40 ? 16.158 -14.220 1.105 1.00 50.63 ? 40 PRO C CA 1 ATOM 1834 C C . PRO C 1 40 ? 16.973 -15.472 1.202 1.00 49.10 ? 40 PRO C C 1 ATOM 1835 O O . PRO C 1 40 ? 17.174 -16.134 0.198 1.00 48.66 ? 40 PRO C O 1 ATOM 1836 C CB . PRO C 1 40 ? 14.721 -14.492 1.588 1.00 50.78 ? 40 PRO C CB 1 ATOM 1837 C CG . PRO C 1 40 ? 14.030 -14.946 0.333 1.00 50.30 ? 40 PRO C CG 1 ATOM 1838 C CD . PRO C 1 40 ? 14.605 -14.069 -0.760 1.00 51.02 ? 40 PRO C CD 1 ATOM 1839 N N . ASN C 1 41 ? 17.473 -15.757 2.405 1.00 47.68 ? 41 ASN C N 1 ATOM 1840 C CA . ASN C 1 41 ? 18.083 -17.061 2.654 1.00 46.04 ? 41 ASN C CA 1 ATOM 1841 C C . ASN C 1 41 ? 16.939 -17.927 3.232 1.00 43.97 ? 41 ASN C C 1 ATOM 1842 O O . ASN C 1 41 ? 16.038 -17.412 3.896 1.00 42.38 ? 41 ASN C O 1 ATOM 1843 C CB . ASN C 1 41 ? 19.201 -16.989 3.686 1.00 49.56 ? 41 ASN C CB 1 ATOM 1844 C CG . ASN C 1 41 ? 20.441 -16.347 3.119 1.00 53.52 ? 41 ASN C CG 1 ATOM 1845 O OD1 . ASN C 1 41 ? 20.661 -16.377 1.906 1.00 57.98 ? 41 ASN C OD1 1 ATOM 1846 N ND2 . ASN C 1 41 ? 21.264 -15.771 3.983 1.00 54.65 ? 41 ASN C ND2 1 ATOM 1847 N N . VAL C 1 42 ? 16.965 -19.226 2.947 1.00 42.49 ? 42 VAL C N 1 ATOM 1848 C CA . VAL C 1 42 ? 15.964 -20.129 3.487 1.00 41.32 ? 42 VAL C CA 1 ATOM 1849 C C . VAL C 1 42 ? 16.634 -21.386 4.033 1.00 41.29 ? 42 VAL C C 1 ATOM 1850 O O . VAL C 1 42 ? 17.537 -21.927 3.404 1.00 44.32 ? 42 VAL C O 1 ATOM 1851 C CB . VAL C 1 42 ? 14.939 -20.604 2.405 1.00 40.17 ? 42 VAL C CB 1 ATOM 1852 C CG1 . VAL C 1 42 ? 13.727 -21.245 3.078 1.00 40.26 ? 42 VAL C CG1 1 ATOM 1853 C CG2 . VAL C 1 42 ? 14.515 -19.444 1.526 1.00 40.24 ? 42 VAL C CG2 1 ATOM 1854 N N . ILE C 1 43 ? 16.228 -21.814 5.228 1.00 39.53 ? 43 ILE C N 1 ATOM 1855 C CA . ILE C 1 43 ? 16.719 -23.068 5.787 1.00 37.57 ? 43 ILE C CA 1 ATOM 1856 C C . ILE C 1 43 ? 15.514 -23.978 6.053 1.00 37.92 ? 43 ILE C C 1 ATOM 1857 O O . ILE C 1 43 ? 14.401 -23.501 6.297 1.00 37.77 ? 43 ILE C O 1 ATOM 1858 C CB . ILE C 1 43 ? 17.542 -22.908 7.076 1.00 38.36 ? 43 ILE C CB 1 ATOM 1859 C CG1 . ILE C 1 43 ? 16.739 -22.164 8.140 1.00 35.54 ? 43 ILE C CG1 1 ATOM 1860 C CG2 . ILE C 1 43 ? 18.843 -22.188 6.763 1.00 33.73 ? 43 ILE C CG2 1 ATOM 1861 C CD1 . ILE C 1 43 ? 17.516 -21.941 9.430 1.00 35.63 ? 43 ILE C CD1 1 ATOM 1862 N N . VAL C 1 44 ? 15.759 -25.282 6.014 1.00 36.90 ? 44 VAL C N 1 ATOM 1863 C CA . VAL C 1 44 ? 14.712 -26.281 6.177 1.00 36.41 ? 44 VAL C CA 1 ATOM 1864 C C . VAL C 1 44 ? 15.153 -27.364 7.148 1.00 36.93 ? 44 VAL C C 1 ATOM 1865 O O . VAL C 1 44 ? 16.332 -27.714 7.210 1.00 35.76 ? 44 VAL C O 1 ATOM 1866 C CB . VAL C 1 44 ? 14.396 -26.957 4.784 1.00 36.25 ? 44 VAL C CB 1 ATOM 1867 C CG1 . VAL C 1 44 ? 13.282 -27.988 4.925 1.00 34.38 ? 44 VAL C CG1 1 ATOM 1868 C CG2 . VAL C 1 44 ? 14.013 -25.890 3.761 1.00 36.09 ? 44 VAL C CG2 1 ATOM 1869 N N . SER C 1 45 ? 14.209 -27.859 7.945 1.00 36.70 ? 45 SER C N 1 ATOM 1870 C CA . SER C 1 45 ? 14.501 -28.941 8.872 1.00 36.57 ? 45 SER C CA 1 ATOM 1871 C C . SER C 1 45 ? 13.274 -29.843 8.999 1.00 38.06 ? 45 SER C C 1 ATOM 1872 O O . SER C 1 45 ? 12.344 -29.764 8.187 1.00 38.11 ? 45 SER C O 1 ATOM 1873 C CB . SER C 1 45 ? 14.907 -28.407 10.246 1.00 36.55 ? 45 SER C CB 1 ATOM 1874 O OG . SER C 1 45 ? 15.396 -29.461 11.064 1.00 38.78 ? 45 SER C OG 1 ATOM 1875 N N . PHE C 1 46 ? 13.272 -30.705 10.012 1.00 37.31 ? 46 PHE C N 1 ATOM 1876 C CA . PHE C 1 46 ? 12.155 -31.606 10.221 1.00 36.38 ? 46 PHE C CA 1 ATOM 1877 C C . PHE C 1 46 ? 11.441 -31.292 11.524 1.00 36.24 ? 46 PHE C C 1 ATOM 1878 O O . PHE C 1 46 ? 12.071 -31.097 12.564 1.00 36.31 ? 46 PHE C O 1 ATOM 1879 C CB . PHE C 1 46 ? 12.636 -33.068 10.211 1.00 35.98 ? 46 PHE C CB 1 ATOM 1880 C CG . PHE C 1 46 ? 13.093 -33.540 8.861 1.00 36.63 ? 46 PHE C CG 1 ATOM 1881 C CD1 . PHE C 1 46 ? 12.227 -34.211 8.003 1.00 35.70 ? 46 PHE C CD1 1 ATOM 1882 C CD2 . PHE C 1 46 ? 14.391 -33.285 8.435 1.00 35.02 ? 46 PHE C CD2 1 ATOM 1883 C CE1 . PHE C 1 46 ? 12.654 -34.624 6.742 1.00 35.99 ? 46 PHE C CE1 1 ATOM 1884 C CE2 . PHE C 1 46 ? 14.821 -33.688 7.183 1.00 36.64 ? 46 PHE C CE2 1 ATOM 1885 C CZ . PHE C 1 46 ? 13.952 -34.357 6.332 1.00 35.93 ? 46 PHE C CZ 1 ATOM 1886 N N . GLY C 1 47 ? 10.116 -31.204 11.434 1.00 35.58 ? 47 GLY C N 1 ATOM 1887 C CA . GLY C 1 47 ? 9.285 -30.937 12.596 1.00 34.02 ? 47 GLY C CA 1 ATOM 1888 C C . GLY C 1 47 ? 8.743 -32.249 13.130 1.00 34.28 ? 47 GLY C C 1 ATOM 1889 O O . GLY C 1 47 ? 8.534 -32.406 14.338 1.00 33.97 ? 47 GLY C O 1 ATOM 1890 N N . MET C 1 48 ? 8.498 -33.198 12.234 1.00 34.23 ? 48 MET C N 1 ATOM 1891 C CA . MET C 1 48 ? 8.022 -34.513 12.645 1.00 33.80 ? 48 MET C CA 1 ATOM 1892 C C . MET C 1 48 ? 8.713 -35.567 11.793 1.00 34.35 ? 48 MET C C 1 ATOM 1893 O O . MET C 1 48 ? 9.062 -35.297 10.642 1.00 35.35 ? 48 MET C O 1 ATOM 1894 C CB . MET C 1 48 ? 6.487 -34.617 12.511 1.00 33.50 ? 48 MET C CB 1 ATOM 1895 C CG . MET C 1 48 ? 5.894 -36.015 12.773 1.00 33.43 ? 48 MET C CG 1 ATOM 1896 S SD . MET C 1 48 ? 5.788 -37.043 11.303 1.00 35.56 ? 48 MET C SD 1 ATOM 1897 C CE . MET C 1 48 ? 4.483 -36.182 10.429 1.00 34.72 ? 48 MET C CE 1 ATOM 1898 N N . LEU C 1 49 ? 8.938 -36.757 12.351 1.00 34.86 ? 49 LEU C N 1 ATOM 1899 C CA . LEU C 1 49 ? 9.600 -37.815 11.590 1.00 37.35 ? 49 LEU C CA 1 ATOM 1900 C C . LEU C 1 49 ? 9.229 -39.239 12.046 1.00 37.60 ? 49 LEU C C 1 ATOM 1901 O O . LEU C 1 49 ? 9.179 -39.532 13.244 1.00 38.92 ? 49 LEU C O 1 ATOM 1902 C CB . LEU C 1 49 ? 11.117 -37.596 11.658 1.00 38.18 ? 49 LEU C CB 1 ATOM 1903 C CG . LEU C 1 49 ? 12.008 -38.284 10.633 1.00 42.02 ? 49 LEU C CG 1 ATOM 1904 C CD1 . LEU C 1 49 ? 11.519 -37.977 9.222 1.00 41.12 ? 49 LEU C CD1 1 ATOM 1905 C CD2 . LEU C 1 49 ? 13.434 -37.794 10.822 1.00 40.22 ? 49 LEU C CD2 1 ATOM 1906 N N . ASP C 1 50 ? 8.969 -40.116 11.079 1.00 38.57 ? 50 ASP C N 1 ATOM 1907 C CA . ASP C 1 50 ? 8.586 -41.517 11.343 1.00 39.01 ? 50 ASP C CA 1 ATOM 1908 C C . ASP C 1 50 ? 9.402 -42.380 10.391 1.00 38.80 ? 50 ASP C C 1 ATOM 1909 O O . ASP C 1 50 ? 9.054 -42.523 9.220 1.00 40.97 ? 50 ASP C O 1 ATOM 1910 C CB . ASP C 1 50 ? 7.080 -41.688 11.091 1.00 39.23 ? 50 ASP C CB 1 ATOM 1911 C CG . ASP C 1 50 ? 6.569 -43.065 11.484 1.00 39.27 ? 50 ASP C CG 1 ATOM 1912 O OD1 . ASP C 1 50 ? 5.329 -43.204 11.586 1.00 38.13 ? 50 ASP C OD1 1 ATOM 1913 O OD2 . ASP C 1 50 ? 7.379 -43.999 11.683 1.00 37.73 ? 50 ASP C OD2 1 ATOM 1914 N N . VAL C 1 51 ? 10.487 -42.955 10.907 1.00 38.55 ? 51 VAL C N 1 ATOM 1915 C CA . VAL C 1 51 ? 11.417 -43.736 10.083 1.00 37.12 ? 51 VAL C CA 1 ATOM 1916 C C . VAL C 1 51 ? 11.600 -45.164 10.574 1.00 37.44 ? 51 VAL C C 1 ATOM 1917 O O . VAL C 1 51 ? 11.877 -45.401 11.748 1.00 38.68 ? 51 VAL C O 1 ATOM 1918 C CB . VAL C 1 51 ? 12.805 -43.026 10.043 1.00 37.17 ? 51 VAL C CB 1 ATOM 1919 C CG1 . VAL C 1 51 ? 13.794 -43.861 9.251 1.00 36.39 ? 51 VAL C CG1 1 ATOM 1920 C CG2 . VAL C 1 51 ? 12.673 -41.611 9.437 1.00 36.19 ? 51 VAL C CG2 1 ATOM 1921 N N . ASP C 1 52 ? 11.460 -46.118 9.658 1.00 37.83 ? 52 ASP C N 1 ATOM 1922 C CA . ASP C 1 52 ? 11.577 -47.529 10.000 1.00 38.56 ? 52 ASP C CA 1 ATOM 1923 C C . ASP C 1 52 ? 12.982 -47.922 10.434 1.00 38.90 ? 52 ASP C C 1 ATOM 1924 O O . ASP C 1 52 ? 13.966 -47.541 9.798 1.00 39.21 ? 52 ASP C O 1 ATOM 1925 C CB . ASP C 1 52 ? 11.135 -48.388 8.814 1.00 39.81 ? 52 ASP C CB 1 ATOM 1926 C CG . ASP C 1 52 ? 10.680 -49.762 9.240 1.00 40.96 ? 52 ASP C CG 1 ATOM 1927 O OD1 . ASP C 1 52 ? 11.549 -50.638 9.425 1.00 40.72 ? 52 ASP C OD1 1 ATOM 1928 O OD2 . ASP C 1 52 ? 9.454 -49.961 9.414 1.00 42.17 ? 52 ASP C OD2 1 ATOM 1929 N N . ASN C 1 53 ? 13.075 -48.697 11.511 1.00 39.42 ? 53 ASN C N 1 ATOM 1930 C CA . ASN C 1 53 ? 14.374 -49.125 12.032 1.00 40.94 ? 53 ASN C CA 1 ATOM 1931 C C . ASN C 1 53 ? 15.000 -50.311 11.285 1.00 41.07 ? 53 ASN C C 1 ATOM 1932 O O . ASN C 1 53 ? 16.133 -50.701 11.579 1.00 41.19 ? 53 ASN C O 1 ATOM 1933 C CB . ASN C 1 53 ? 14.235 -49.488 13.518 1.00 39.94 ? 53 ASN C CB 1 ATOM 1934 C CG . ASN C 1 53 ? 13.417 -50.759 13.747 1.00 40.59 ? 53 ASN C CG 1 ATOM 1935 O OD1 . ASN C 1 53 ? 12.769 -51.281 12.836 1.00 42.52 ? 53 ASN C OD1 1 ATOM 1936 N ND2 . ASN C 1 53 ? 13.439 -51.252 14.976 1.00 37.75 ? 53 ASN C ND2 1 ATOM 1937 N N . SER C 1 54 ? 14.276 -50.879 10.321 1.00 40.42 ? 54 SER C N 1 ATOM 1938 C CA . SER C 1 54 ? 14.791 -52.037 9.588 1.00 43.75 ? 54 SER C CA 1 ATOM 1939 C C . SER C 1 54 ? 15.965 -51.658 8.698 1.00 43.80 ? 54 SER C C 1 ATOM 1940 O O . SER C 1 54 ? 16.684 -52.522 8.202 1.00 44.37 ? 54 SER C O 1 ATOM 1941 C CB . SER C 1 54 ? 13.688 -52.687 8.750 1.00 43.47 ? 54 SER C CB 1 ATOM 1942 O OG . SER C 1 54 ? 13.209 -51.783 7.774 1.00 46.08 ? 54 SER C OG 1 ATOM 1943 N N . ASN C 1 55 ? 16.138 -50.359 8.486 1.00 44.27 ? 55 ASN C N 1 ATOM 1944 C CA . ASN C 1 55 ? 17.256 -49.848 7.702 1.00 43.42 ? 55 ASN C CA 1 ATOM 1945 C C . ASN C 1 55 ? 17.768 -48.539 8.311 1.00 42.75 ? 55 ASN C C 1 ATOM 1946 O O . ASN C 1 55 ? 17.121 -47.960 9.194 1.00 42.48 ? 55 ASN C O 1 ATOM 1947 C CB . ASN C 1 55 ? 16.838 -49.633 6.238 1.00 43.26 ? 55 ASN C CB 1 ATOM 1948 C CG . ASN C 1 55 ? 16.625 -50.945 5.500 1.00 46.01 ? 55 ASN C CG 1 ATOM 1949 O OD1 . ASN C 1 55 ? 17.576 -51.672 5.213 1.00 46.47 ? 55 ASN C OD1 1 ATOM 1950 N ND2 . ASN C 1 55 ? 15.368 -51.261 5.198 1.00 45.55 ? 55 ASN C ND2 1 ATOM 1951 N N . ASN C 1 56 ? 18.939 -48.096 7.864 1.00 40.94 ? 56 ASN C N 1 ATOM 1952 C CA . ASN C 1 56 ? 19.523 -46.847 8.332 1.00 40.59 ? 56 ASN C CA 1 ATOM 1953 C C . ASN C 1 56 ? 18.574 -45.665 8.150 1.00 39.80 ? 56 ASN C C 1 ATOM 1954 O O . ASN C 1 56 ? 17.693 -45.688 7.286 1.00 39.96 ? 56 ASN C O 1 ATOM 1955 C CB . ASN C 1 56 ? 20.817 -46.551 7.549 1.00 39.51 ? 56 ASN C CB 1 ATOM 1956 C CG . ASN C 1 56 ? 21.984 -47.383 8.028 1.00 38.11 ? 56 ASN C CG 1 ATOM 1957 O OD1 . ASN C 1 56 ? 21.823 -48.248 8.886 1.00 39.75 ? 56 ASN C OD1 1 ATOM 1958 N ND2 . ASN C 1 56 ? 23.167 -47.128 7.484 1.00 37.93 ? 56 ASN C ND2 1 ATOM 1959 N N . LEU C 1 57 ? 18.734 -44.644 8.992 1.00 38.70 ? 57 LEU C N 1 ATOM 1960 C CA . LEU C 1 57 ? 17.933 -43.440 8.840 1.00 38.28 ? 57 LEU C CA 1 ATOM 1961 C C . LEU C 1 57 ? 18.638 -42.514 7.841 1.00 37.89 ? 57 LEU C C 1 ATOM 1962 O O . LEU C 1 57 ? 19.808 -42.162 8.024 1.00 36.78 ? 57 LEU C O 1 ATOM 1963 C CB . LEU C 1 57 ? 17.770 -42.701 10.179 1.00 36.30 ? 57 LEU C CB 1 ATOM 1964 C CG . LEU C 1 57 ? 16.829 -41.479 10.176 1.00 38.04 ? 57 LEU C CG 1 ATOM 1965 C CD1 . LEU C 1 57 ? 16.033 -41.448 11.477 1.00 36.04 ? 57 LEU C CD1 1 ATOM 1966 C CD2 . LEU C 1 57 ? 17.606 -40.183 9.985 1.00 33.74 ? 57 LEU C CD2 1 ATOM 1967 N N . ARG C 1 58 ? 17.922 -42.152 6.779 1.00 37.71 ? 58 ARG C N 1 ATOM 1968 C CA . ARG C 1 58 ? 18.453 -41.240 5.778 1.00 39.22 ? 58 ARG C CA 1 ATOM 1969 C C . ARG C 1 58 ? 17.368 -40.255 5.364 1.00 39.62 ? 58 ARG C C 1 ATOM 1970 O O . ARG C 1 58 ? 16.402 -40.622 4.692 1.00 38.11 ? 58 ARG C O 1 ATOM 1971 C CB . ARG C 1 58 ? 18.941 -41.988 4.528 1.00 40.34 ? 58 ARG C CB 1 ATOM 1972 C CG . ARG C 1 58 ? 19.967 -43.085 4.796 1.00 41.24 ? 58 ARG C CG 1 ATOM 1973 C CD . ARG C 1 58 ? 20.219 -43.898 3.529 1.00 40.08 ? 58 ARG C CD 1 ATOM 1974 N NE . ARG C 1 58 ? 21.165 -44.988 3.749 1.00 40.64 ? 58 ARG C NE 1 ATOM 1975 C CZ . ARG C 1 58 ? 20.835 -46.266 3.884 1.00 38.94 ? 58 ARG C CZ 1 ATOM 1976 N NH1 . ARG C 1 58 ? 19.566 -46.655 3.823 1.00 40.45 ? 58 ARG C NH1 1 ATOM 1977 N NH2 . ARG C 1 58 ? 21.786 -47.163 4.081 1.00 38.39 ? 58 ARG C NH2 1 ATOM 1978 N N . VAL C 1 59 ? 17.504 -39.011 5.813 1.00 38.60 ? 59 VAL C N 1 ATOM 1979 C CA . VAL C 1 59 ? 16.560 -37.988 5.410 1.00 38.04 ? 59 VAL C CA 1 ATOM 1980 C C . VAL C 1 59 ? 17.351 -36.764 4.987 1.00 38.61 ? 59 VAL C C 1 ATOM 1981 O O . VAL C 1 59 ? 18.452 -36.507 5.484 1.00 40.37 ? 59 VAL C O 1 ATOM 1982 C CB . VAL C 1 59 ? 15.538 -37.616 6.522 1.00 37.18 ? 59 VAL C CB 1 ATOM 1983 C CG1 . VAL C 1 59 ? 14.578 -38.778 6.751 1.00 34.54 ? 59 VAL C CG1 1 ATOM 1984 C CG2 . VAL C 1 59 ? 16.254 -37.249 7.801 1.00 34.27 ? 59 VAL C CG2 1 ATOM 1985 N N . ASN C 1 60 ? 16.787 -36.030 4.038 1.00 39.47 ? 60 ASN C N 1 ATOM 1986 C CA . ASN C 1 60 ? 17.411 -34.829 3.509 1.00 40.39 ? 60 ASN C CA 1 ATOM 1987 C C . ASN C 1 60 ? 16.346 -33.823 3.144 1.00 39.39 ? 60 ASN C C 1 ATOM 1988 O O . ASN C 1 60 ? 15.245 -34.178 2.719 1.00 40.57 ? 60 ASN C O 1 ATOM 1989 C CB . ASN C 1 60 ? 18.265 -35.162 2.264 1.00 43.31 ? 60 ASN C CB 1 ATOM 1990 C CG . ASN C 1 60 ? 19.034 -33.942 1.719 1.00 45.07 ? 60 ASN C CG 1 ATOM 1991 O OD1 . ASN C 1 60 ? 19.572 -33.149 2.474 1.00 46.38 ? 60 ASN C OD1 1 ATOM 1992 N ND2 . ASN C 1 60 ? 18.960 -33.903 0.373 1.00 47.90 ? 60 ASN C ND2 1 ATOM 1993 N N . SER C 1 61 ? 16.678 -32.558 3.334 1.00 40.03 ? 61 SER C N 1 ATOM 1994 C CA . SER C 1 61 ? 15.760 -31.486 3.013 1.00 40.81 ? 61 SER C CA 1 ATOM 1995 C C . SER C 1 61 ? 16.563 -30.268 2.577 1.00 40.81 ? 61 SER C C 1 ATOM 1996 O O . SER C 1 61 ? 17.739 -30.147 2.911 1.00 40.16 ? 61 SER C O 1 ATOM 1997 C CB . SER C 1 61 ? 14.931 -31.115 4.266 1.00 39.70 ? 61 SER C CB 1 ATOM 1998 O OG . SER C 1 61 ? 15.757 -30.574 5.283 1.00 37.58 ? 61 SER C OG 1 ATOM 1999 N N . SER C 1 62 ? 15.944 -29.403 1.779 1.00 42.48 ? 62 SER C N 1 ATOM 2000 C CA . SER C 1 62 ? 16.574 -28.135 1.406 1.00 45.15 ? 62 SER C CA 1 ATOM 2001 C C . SER C 1 62 ? 15.592 -27.210 0.717 1.00 43.85 ? 62 SER C C 1 ATOM 2002 O O . SER C 1 62 ? 14.502 -27.629 0.330 1.00 42.94 ? 62 SER C O 1 ATOM 2003 C CB . SER C 1 62 ? 17.777 -28.331 0.466 1.00 45.64 ? 62 SER C CB 1 ATOM 2004 O OG . SER C 1 62 ? 17.420 -29.128 -0.650 1.00 50.57 ? 62 SER C OG 1 ATOM 2005 N N . ALA C 1 63 ? 15.976 -25.939 0.620 1.00 44.83 ? 63 ALA C N 1 ATOM 2006 C CA . ALA C 1 63 ? 15.198 -24.965 -0.141 1.00 46.50 ? 63 ALA C CA 1 ATOM 2007 C C . ALA C 1 63 ? 15.957 -24.806 -1.477 1.00 48.36 ? 63 ALA C C 1 ATOM 2008 O O . ALA C 1 63 ? 17.148 -24.497 -1.498 1.00 47.68 ? 63 ALA C O 1 ATOM 2009 C CB . ALA C 1 63 ? 15.111 -23.633 0.574 1.00 43.69 ? 63 ALA C CB 1 ATOM 2010 N N . ASP C 1 64 ? 15.264 -25.038 -2.585 1.00 50.67 ? 64 ASP C N 1 ATOM 2011 C CA . ASP C 1 64 ? 15.907 -24.930 -3.893 1.00 52.44 ? 64 ASP C CA 1 ATOM 2012 C C . ASP C 1 64 ? 15.263 -23.835 -4.726 1.00 52.60 ? 64 ASP C C 1 ATOM 2013 O O . ASP C 1 64 ? 14.144 -23.410 -4.432 1.00 51.88 ? 64 ASP C O 1 ATOM 2014 C CB . ASP C 1 64 ? 15.801 -26.282 -4.638 1.00 51.70 ? 64 ASP C CB 1 ATOM 2015 C CG . ASP C 1 64 ? 16.553 -27.398 -3.932 1.00 52.27 ? 64 ASP C CG 1 ATOM 2016 O OD1 . ASP C 1 64 ? 17.549 -27.095 -3.235 1.00 53.95 ? 64 ASP C OD1 1 ATOM 2017 O OD2 . ASP C 1 64 ? 16.168 -28.578 -4.082 1.00 53.05 ? 64 ASP C OD2 1 ATOM 2018 N N . ASP C 1 65 ? 15.974 -23.360 -5.748 1.00 54.06 ? 65 ASP C N 1 ATOM 2019 C CA . ASP C 1 65 ? 15.442 -22.334 -6.657 1.00 55.09 ? 65 ASP C CA 1 ATOM 2020 C C . ASP C 1 65 ? 14.883 -21.148 -5.886 1.00 53.91 ? 65 ASP C C 1 ATOM 2021 O O . ASP C 1 65 ? 13.777 -20.688 -6.170 1.00 54.23 ? 65 ASP C O 1 ATOM 2022 C CB . ASP C 1 65 ? 14.311 -22.948 -7.516 1.00 57.71 ? 65 ASP C CB 1 ATOM 2023 C CG . ASP C 1 65 ? 14.752 -24.202 -8.256 1.00 61.19 ? 65 ASP C CG 1 ATOM 2024 O OD1 . ASP C 1 65 ? 15.890 -24.217 -8.778 1.00 61.38 ? 65 ASP C OD1 1 ATOM 2025 O OD2 . ASP C 1 65 ? 13.955 -25.169 -8.320 1.00 62.74 ? 65 ASP C OD2 1 ATOM 2026 N N . VAL C 1 66 ? 15.645 -20.653 -4.918 1.00 52.94 ? 66 VAL C N 1 ATOM 2027 C CA . VAL C 1 66 ? 15.178 -19.552 -4.085 1.00 52.55 ? 66 VAL C CA 1 ATOM 2028 C C . VAL C 1 66 ? 15.187 -18.204 -4.784 1.00 52.57 ? 66 VAL C C 1 ATOM 2029 O O . VAL C 1 66 ? 16.239 -17.751 -5.242 1.00 53.61 ? 66 VAL C O 1 ATOM 2030 C CB . VAL C 1 66 ? 16.055 -19.419 -2.776 1.00 51.31 ? 66 VAL C CB 1 ATOM 2031 C CG1 . VAL C 1 66 ? 15.680 -18.156 -2.003 1.00 49.85 ? 66 VAL C CG1 1 ATOM 2032 C CG2 . VAL C 1 66 ? 15.883 -20.645 -1.892 1.00 49.97 ? 66 VAL C CG2 1 ATOM 2033 N N . THR C 1 67 ? 14.015 -17.581 -4.897 1.00 52.21 ? 67 THR C N 1 ATOM 2034 C CA . THR C 1 67 ? 13.927 -16.229 -5.458 1.00 53.04 ? 67 THR C CA 1 ATOM 2035 C C . THR C 1 67 ? 13.118 -15.325 -4.501 1.00 53.93 ? 67 THR C C 1 ATOM 2036 O O . THR C 1 67 ? 12.600 -15.794 -3.481 1.00 53.86 ? 67 THR C O 1 ATOM 2037 C CB . THR C 1 67 ? 13.232 -16.198 -6.836 1.00 52.37 ? 67 THR C CB 1 ATOM 2038 O OG1 . THR C 1 67 ? 11.835 -16.477 -6.683 1.00 53.67 ? 67 THR C OG1 1 ATOM 2039 C CG2 . THR C 1 67 ? 13.859 -17.228 -7.772 1.00 51.56 ? 67 THR C CG2 1 ATOM 2040 N N . VAL C 1 68 ? 13.027 -14.034 -4.821 1.00 53.16 ? 68 VAL C N 1 ATOM 2041 C CA . VAL C 1 68 ? 12.236 -13.117 -4.002 1.00 52.28 ? 68 VAL C CA 1 ATOM 2042 C C . VAL C 1 68 ? 10.757 -13.539 -4.050 1.00 52.40 ? 68 VAL C C 1 ATOM 2043 O O . VAL C 1 68 ? 9.990 -13.260 -3.124 1.00 51.82 ? 68 VAL C O 1 ATOM 2044 C CB . VAL C 1 68 ? 12.356 -11.635 -4.500 1.00 53.67 ? 68 VAL C CB 1 ATOM 2045 C CG1 . VAL C 1 68 ? 13.788 -11.157 -4.342 1.00 52.88 ? 68 VAL C CG1 1 ATOM 2046 C CG2 . VAL C 1 68 ? 11.911 -11.509 -5.954 1.00 52.33 ? 68 VAL C CG2 1 ATOM 2047 N N . GLY C 1 69 ? 10.379 -14.238 -5.121 1.00 51.84 ? 69 GLY C N 1 ATOM 2048 C CA . GLY C 1 69 ? 9.004 -14.685 -5.287 1.00 50.77 ? 69 GLY C CA 1 ATOM 2049 C C . GLY C 1 69 ? 8.655 -16.011 -4.629 1.00 50.74 ? 69 GLY C C 1 ATOM 2050 O O . GLY C 1 69 ? 7.475 -16.310 -4.420 1.00 50.02 ? 69 GLY C O 1 ATOM 2051 N N . GLY C 1 70 ? 9.667 -16.810 -4.291 1.00 49.96 ? 70 GLY C N 1 ATOM 2052 C CA . GLY C 1 70 ? 9.403 -18.101 -3.663 1.00 47.83 ? 70 GLY C CA 1 ATOM 2053 C C . GLY C 1 70 ? 10.524 -19.118 -3.801 1.00 46.65 ? 70 GLY C C 1 ATOM 2054 O O . GLY C 1 70 ? 11.660 -18.755 -4.121 1.00 45.75 ? 70 GLY C O 1 ATOM 2055 N N . PHE C 1 71 ? 10.211 -20.392 -3.562 1.00 45.53 ? 71 PHE C N 1 ATOM 2056 C CA . PHE C 1 71 ? 11.214 -21.461 -3.655 1.00 45.14 ? 71 PHE C CA 1 ATOM 2057 C C . PHE C 1 71 ? 10.603 -22.870 -3.691 1.00 44.53 ? 71 PHE C C 1 ATOM 2058 O O . PHE C 1 71 ? 9.406 -23.049 -3.459 1.00 45.04 ? 71 PHE C O 1 ATOM 2059 C CB . PHE C 1 71 ? 12.182 -21.373 -2.453 1.00 44.27 ? 71 PHE C CB 1 ATOM 2060 C CG . PHE C 1 71 ? 11.593 -21.858 -1.152 1.00 42.73 ? 71 PHE C CG 1 ATOM 2061 C CD1 . PHE C 1 71 ? 11.952 -23.094 -0.625 1.00 42.68 ? 71 PHE C CD1 1 ATOM 2062 C CD2 . PHE C 1 71 ? 10.675 -21.081 -0.459 1.00 43.45 ? 71 PHE C CD2 1 ATOM 2063 C CE1 . PHE C 1 71 ? 11.406 -23.546 0.577 1.00 41.24 ? 71 PHE C CE1 1 ATOM 2064 C CE2 . PHE C 1 71 ? 10.125 -21.524 0.740 1.00 41.71 ? 71 PHE C CE2 1 ATOM 2065 C CZ . PHE C 1 71 ? 10.493 -22.757 1.257 1.00 40.57 ? 71 PHE C CZ 1 ATOM 2066 N N . THR C 1 72 ? 11.428 -23.867 -3.994 1.00 44.87 ? 72 THR C N 1 ATOM 2067 C CA . THR C 1 72 ? 10.962 -25.251 -3.998 1.00 45.61 ? 72 THR C CA 1 ATOM 2068 C C . THR C 1 72 ? 11.386 -25.946 -2.699 1.00 44.10 ? 72 THR C C 1 ATOM 2069 O O . THR C 1 72 ? 12.582 -26.158 -2.446 1.00 42.95 ? 72 THR C O 1 ATOM 2070 C CB . THR C 1 72 ? 11.543 -26.066 -5.193 1.00 48.00 ? 72 THR C CB 1 ATOM 2071 O OG1 . THR C 1 72 ? 11.297 -25.356 -6.420 1.00 48.95 ? 72 THR C OG1 1 ATOM 2072 C CG2 . THR C 1 72 ? 10.889 -27.449 -5.270 1.00 47.96 ? 72 THR C CG2 1 ATOM 2073 N N . LEU C 1 73 ? 10.390 -26.251 -1.866 1.00 42.59 ? 73 LEU C N 1 ATOM 2074 C CA . LEU C 1 73 ? 10.606 -26.971 -0.614 1.00 41.90 ? 73 LEU C CA 1 ATOM 2075 C C . LEU C 1 73 ? 10.896 -28.429 -1.000 1.00 42.41 ? 73 LEU C C 1 ATOM 2076 O O . LEU C 1 73 ? 10.013 -29.153 -1.464 1.00 43.32 ? 73 LEU C O 1 ATOM 2077 C CB . LEU C 1 73 ? 9.358 -26.871 0.279 1.00 40.83 ? 73 LEU C CB 1 ATOM 2078 C CG . LEU C 1 73 ? 9.417 -27.579 1.646 1.00 37.97 ? 73 LEU C CG 1 ATOM 2079 C CD1 . LEU C 1 73 ? 10.622 -27.096 2.441 1.00 35.12 ? 73 LEU C CD1 1 ATOM 2080 C CD2 . LEU C 1 73 ? 8.127 -27.339 2.416 1.00 36.72 ? 73 LEU C CD2 1 ATOM 2081 N N . HIS C 1 74 ? 12.145 -28.839 -0.798 1.00 42.16 ? 74 HIS C N 1 ATOM 2082 C CA . HIS C 1 74 ? 12.601 -30.163 -1.172 1.00 43.37 ? 74 HIS C CA 1 ATOM 2083 C C . HIS C 1 74 ? 12.867 -31.150 -0.045 1.00 44.76 ? 74 HIS C C 1 ATOM 2084 O O . HIS C 1 74 ? 13.444 -30.801 0.996 1.00 44.24 ? 74 HIS C O 1 ATOM 2085 C CB . HIS C 1 74 ? 13.916 -30.041 -1.986 1.00 43.41 ? 74 HIS C CB 1 ATOM 2086 C CG . HIS C 1 74 ? 14.519 -31.362 -2.366 1.00 45.22 ? 74 HIS C CG 1 ATOM 2087 N ND1 . HIS C 1 74 ? 13.920 -32.221 -3.263 1.00 44.35 ? 74 HIS C ND1 1 ATOM 2088 C CD2 . HIS C 1 74 ? 15.656 -31.976 -1.959 1.00 45.12 ? 74 HIS C CD2 1 ATOM 2089 C CE1 . HIS C 1 74 ? 14.661 -33.308 -3.390 1.00 44.35 ? 74 HIS C CE1 1 ATOM 2090 N NE2 . HIS C 1 74 ? 15.720 -33.184 -2.611 1.00 45.14 ? 74 HIS C NE2 1 ATOM 2091 N N . TYR C 1 75 ? 12.436 -32.385 -0.271 1.00 44.90 ? 75 TYR C N 1 ATOM 2092 C CA . TYR C 1 75 ? 12.736 -33.470 0.636 1.00 44.37 ? 75 TYR C CA 1 ATOM 2093 C C . TYR C 1 75 ? 13.161 -34.703 -0.171 1.00 45.02 ? 75 TYR C C 1 ATOM 2094 O O . TYR C 1 75 ? 12.758 -34.857 -1.326 1.00 47.52 ? 75 TYR C O 1 ATOM 2095 C CB . TYR C 1 75 ? 11.491 -33.895 1.444 1.00 43.51 ? 75 TYR C CB 1 ATOM 2096 C CG . TYR C 1 75 ? 11.539 -35.322 1.967 1.00 44.06 ? 75 TYR C CG 1 ATOM 2097 C CD1 . TYR C 1 75 ? 12.204 -35.633 3.147 1.00 42.11 ? 75 TYR C CD1 1 ATOM 2098 C CD2 . TYR C 1 75 ? 10.923 -36.362 1.264 1.00 43.55 ? 75 TYR C CD2 1 ATOM 2099 C CE1 . TYR C 1 75 ? 12.253 -36.935 3.619 1.00 41.05 ? 75 TYR C CE1 1 ATOM 2100 C CE2 . TYR C 1 75 ? 10.971 -37.668 1.725 1.00 42.35 ? 75 TYR C CE2 1 ATOM 2101 C CZ . TYR C 1 75 ? 11.635 -37.945 2.902 1.00 41.90 ? 75 TYR C CZ 1 ATOM 2102 O OH . TYR C 1 75 ? 11.682 -39.236 3.360 1.00 41.29 ? 75 TYR C OH 1 ATOM 2103 N N . ASN C 1 76 ? 14.032 -35.512 0.425 1.00 44.24 ? 76 ASN C N 1 ATOM 2104 C CA . ASN C 1 76 ? 14.285 -36.838 -0.111 1.00 43.80 ? 76 ASN C CA 1 ATOM 2105 C C . ASN C 1 76 ? 15.008 -37.765 0.872 1.00 43.89 ? 76 ASN C C 1 ATOM 2106 O O . ASN C 1 76 ? 15.844 -37.317 1.656 1.00 43.65 ? 76 ASN C O 1 ATOM 2107 C CB . ASN C 1 76 ? 15.080 -36.853 -1.432 1.00 41.34 ? 76 ASN C CB 1 ATOM 2108 C CG . ASN C 1 76 ? 16.569 -36.632 -1.222 1.00 38.29 ? 76 ASN C CG 1 ATOM 2109 O OD1 . ASN C 1 76 ? 17.027 -35.499 -1.118 1.00 40.72 ? 76 ASN C OD1 1 ATOM 2110 N ND2 . ASN C 1 76 ? 17.326 -37.715 -1.151 1.00 36.36 ? 76 ASN C ND2 1 ATOM 2111 N N . SER C 1 77 ? 14.608 -39.038 0.861 1.00 45.57 ? 77 SER C N 1 ATOM 2112 C CA . SER C 1 77 ? 15.388 -40.069 1.557 1.00 46.75 ? 77 SER C CA 1 ATOM 2113 C C . SER C 1 77 ? 16.165 -40.737 0.382 1.00 48.04 ? 77 SER C C 1 ATOM 2114 O O . SER C 1 77 ? 16.151 -40.228 -0.745 1.00 50.19 ? 77 SER C O 1 ATOM 2115 C CB . SER C 1 77 ? 14.507 -41.123 2.232 1.00 45.55 ? 77 SER C CB 1 ATOM 2116 O OG . SER C 1 77 ? 13.424 -41.522 1.419 1.00 47.41 ? 77 SER C OG 1 ATOM 2117 N N . TRP C 1 78 ? 16.879 -41.826 0.652 1.00 47.76 ? 78 TRP C N 1 ATOM 2118 C CA . TRP C 1 78 ? 17.560 -42.546 -0.415 1.00 46.37 ? 78 TRP C CA 1 ATOM 2119 C C . TRP C 1 78 ? 17.861 -43.990 -0.031 1.00 47.57 ? 78 TRP C C 1 ATOM 2120 O O . TRP C 1 78 ? 17.668 -44.389 1.125 1.00 47.09 ? 78 TRP C O 1 ATOM 2121 C CB . TRP C 1 78 ? 18.809 -41.809 -0.900 1.00 44.06 ? 78 TRP C CB 1 ATOM 2122 C CG . TRP C 1 78 ? 19.895 -41.610 0.102 1.00 42.35 ? 78 TRP C CG 1 ATOM 2123 C CD1 . TRP C 1 78 ? 21.053 -42.320 0.200 1.00 42.61 ? 78 TRP C CD1 1 ATOM 2124 C CD2 . TRP C 1 78 ? 19.943 -40.620 1.141 1.00 43.08 ? 78 TRP C CD2 1 ATOM 2125 N NE1 . TRP C 1 78 ? 21.826 -41.833 1.228 1.00 42.93 ? 78 TRP C NE1 1 ATOM 2126 C CE2 . TRP C 1 78 ? 21.167 -40.793 1.825 1.00 42.10 ? 78 TRP C CE2 1 ATOM 2127 C CE3 . TRP C 1 78 ? 19.074 -39.603 1.558 1.00 42.76 ? 78 TRP C CE3 1 ATOM 2128 C CZ2 . TRP C 1 78 ? 21.544 -39.989 2.906 1.00 41.74 ? 78 TRP C CZ2 1 ATOM 2129 C CZ3 . TRP C 1 78 ? 19.451 -38.800 2.634 1.00 41.17 ? 78 TRP C CZ3 1 ATOM 2130 C CH2 . TRP C 1 78 ? 20.676 -39.001 3.294 1.00 41.45 ? 78 TRP C CH2 1 ATOM 2131 N N . TYR C 1 79 ? 18.341 -44.758 -1.009 1.00 47.22 ? 79 TYR C N 1 ATOM 2132 C CA . TYR C 1 79 ? 18.620 -46.169 -0.860 1.00 45.57 ? 79 TYR C CA 1 ATOM 2133 C C . TYR C 1 79 ? 17.445 -46.944 -0.254 1.00 44.90 ? 79 TYR C C 1 ATOM 2134 O O . TYR C 1 79 ? 16.310 -46.813 -0.714 1.00 45.41 ? 79 TYR C O 1 ATOM 2135 C CB . TYR C 1 79 ? 19.908 -46.440 -0.076 1.00 46.15 ? 79 TYR C CB 1 ATOM 2136 C CG . TYR C 1 79 ? 20.403 -47.858 -0.248 1.00 50.10 ? 79 TYR C CG 1 ATOM 2137 C CD1 . TYR C 1 79 ? 20.495 -48.426 -1.519 1.00 52.32 ? 79 TYR C CD1 1 ATOM 2138 C CD2 . TYR C 1 79 ? 20.771 -48.637 0.846 1.00 51.78 ? 79 TYR C CD2 1 ATOM 2139 C CE1 . TYR C 1 79 ? 20.935 -49.725 -1.698 1.00 53.04 ? 79 TYR C CE1 1 ATOM 2140 C CE2 . TYR C 1 79 ? 21.217 -49.947 0.677 1.00 52.37 ? 79 TYR C CE2 1 ATOM 2141 C CZ . TYR C 1 79 ? 21.295 -50.481 -0.599 1.00 53.40 ? 79 TYR C CZ 1 ATOM 2142 O OH . TYR C 1 79 ? 21.737 -51.770 -0.783 1.00 55.12 ? 79 TYR C OH 1 ATOM 2143 N N . THR C 1 80 ? 17.708 -47.703 0.804 1.00 45.07 ? 80 THR C N 1 ATOM 2144 C CA . THR C 1 80 ? 16.692 -48.583 1.377 1.00 44.95 ? 80 THR C CA 1 ATOM 2145 C C . THR C 1 80 ? 15.882 -48.015 2.510 1.00 44.22 ? 80 THR C C 1 ATOM 2146 O O . THR C 1 80 ? 14.985 -48.686 3.026 1.00 43.77 ? 80 THR C O 1 ATOM 2147 C CB . THR C 1 80 ? 17.357 -49.889 1.883 1.00 46.63 ? 80 THR C CB 1 ATOM 2148 O OG1 . THR C 1 80 ? 18.431 -49.555 2.777 1.00 48.33 ? 80 THR C OG1 1 ATOM 2149 C CG2 . THR C 1 80 ? 17.895 -50.717 0.720 1.00 47.26 ? 80 THR C CG2 1 ATOM 2150 N N . THR C 1 81 ? 16.183 -46.782 2.900 1.00 42.24 ? 81 THR C N 1 ATOM 2151 C CA . THR C 1 81 ? 15.479 -46.174 4.006 1.00 40.74 ? 81 THR C CA 1 ATOM 2152 C C . THR C 1 81 ? 13.972 -46.172 3.769 1.00 42.01 ? 81 THR C C 1 ATOM 2153 O O . THR C 1 81 ? 13.510 -45.940 2.650 1.00 41.82 ? 81 THR C O 1 ATOM 2154 C CB . THR C 1 81 ? 15.965 -44.721 4.253 1.00 39.99 ? 81 THR C CB 1 ATOM 2155 O OG1 . THR C 1 81 ? 17.317 -44.746 4.723 1.00 36.68 ? 81 THR C OG1 1 ATOM 2156 C CG2 . THR C 1 81 ? 15.100 -44.042 5.309 1.00 40.10 ? 81 THR C CG2 1 ATOM 2157 N N . THR C 1 82 ? 13.209 -46.489 4.810 1.00 41.64 ? 82 THR C N 1 ATOM 2158 C CA . THR C 1 82 ? 11.755 -46.455 4.706 1.00 41.70 ? 82 THR C CA 1 ATOM 2159 C C . THR C 1 82 ? 11.191 -45.392 5.650 1.00 41.81 ? 82 THR C C 1 ATOM 2160 O O . THR C 1 82 ? 11.302 -45.505 6.873 1.00 42.81 ? 82 THR C O 1 ATOM 2161 C CB . THR C 1 82 ? 11.113 -47.799 5.058 1.00 43.30 ? 82 THR C CB 1 ATOM 2162 O OG1 . THR C 1 82 ? 11.542 -48.790 4.113 1.00 45.02 ? 82 THR C OG1 1 ATOM 2163 C CG2 . THR C 1 82 ? 9.591 -47.684 5.018 1.00 41.64 ? 82 THR C CG2 1 ATOM 2164 N N . VAL C 1 83 ? 10.595 -44.354 5.070 1.00 40.97 ? 83 VAL C N 1 ATOM 2165 C CA . VAL C 1 83 ? 10.003 -43.269 5.850 1.00 41.36 ? 83 VAL C CA 1 ATOM 2166 C C . VAL C 1 83 ? 8.475 -43.405 5.787 1.00 42.24 ? 83 VAL C C 1 ATOM 2167 O O . VAL C 1 83 ? 7.910 -43.599 4.715 1.00 43.72 ? 83 VAL C O 1 ATOM 2168 C CB . VAL C 1 83 ? 10.444 -41.888 5.302 1.00 39.55 ? 83 VAL C CB 1 ATOM 2169 C CG1 . VAL C 1 83 ? 9.874 -40.778 6.169 1.00 39.86 ? 83 VAL C CG1 1 ATOM 2170 C CG2 . VAL C 1 83 ? 11.967 -41.804 5.261 1.00 39.51 ? 83 VAL C CG2 1 ATOM 2171 N N . TRP C 1 84 ? 7.816 -43.306 6.941 1.00 42.53 ? 84 TRP C N 1 ATOM 2172 C CA . TRP C 1 84 ? 6.364 -43.473 7.027 1.00 42.74 ? 84 TRP C CA 1 ATOM 2173 C C . TRP C 1 84 ? 5.570 -42.182 7.129 1.00 44.06 ? 84 TRP C C 1 ATOM 2174 O O . TRP C 1 84 ? 4.441 -42.090 6.633 1.00 43.86 ? 84 TRP C O 1 ATOM 2175 C CB . TRP C 1 84 ? 6.028 -44.359 8.222 1.00 43.63 ? 84 TRP C CB 1 ATOM 2176 C CG . TRP C 1 84 ? 6.506 -45.760 8.076 1.00 43.84 ? 84 TRP C CG 1 ATOM 2177 C CD1 . TRP C 1 84 ? 7.460 -46.384 8.824 1.00 44.28 ? 84 TRP C CD1 1 ATOM 2178 C CD2 . TRP C 1 84 ? 6.050 -46.724 7.121 1.00 45.15 ? 84 TRP C CD2 1 ATOM 2179 N NE1 . TRP C 1 84 ? 7.626 -47.681 8.397 1.00 44.93 ? 84 TRP C NE1 1 ATOM 2180 C CE2 . TRP C 1 84 ? 6.773 -47.915 7.352 1.00 46.54 ? 84 TRP C CE2 1 ATOM 2181 C CE3 . TRP C 1 84 ? 5.099 -46.698 6.093 1.00 44.16 ? 84 TRP C CE3 1 ATOM 2182 C CZ2 . TRP C 1 84 ? 6.573 -49.070 6.593 1.00 46.23 ? 84 TRP C CZ2 1 ATOM 2183 C CZ3 . TRP C 1 84 ? 4.901 -47.848 5.339 1.00 44.41 ? 84 TRP C CZ3 1 ATOM 2184 C CH2 . TRP C 1 84 ? 5.634 -49.015 5.592 1.00 45.36 ? 84 TRP C CH2 1 ATOM 2185 N N . ASN C 1 85 ? 6.153 -41.199 7.807 1.00 43.16 ? 85 ASN C N 1 ATOM 2186 C CA . ASN C 1 85 ? 5.553 -39.880 7.957 1.00 42.30 ? 85 ASN C CA 1 ATOM 2187 C C . ASN C 1 85 ? 6.660 -38.848 8.165 1.00 43.42 ? 85 ASN C C 1 ATOM 2188 O O . ASN C 1 85 ? 7.756 -39.193 8.611 1.00 43.78 ? 85 ASN C O 1 ATOM 2189 C CB . ASN C 1 85 ? 4.647 -39.827 9.207 1.00 42.14 ? 85 ASN C CB 1 ATOM 2190 C CG . ASN C 1 85 ? 3.457 -40.760 9.109 1.00 43.51 ? 85 ASN C CG 1 ATOM 2191 O OD1 . ASN C 1 85 ? 2.513 -40.504 8.358 1.00 42.31 ? 85 ASN C OD1 1 ATOM 2192 N ND2 . ASN C 1 85 ? 3.500 -41.855 9.864 1.00 42.69 ? 85 ASN C ND2 1 ATOM 2193 N N . TYR C 1 86 ? 6.399 -37.599 7.795 1.00 43.08 ? 86 TYR C N 1 ATOM 2194 C CA . TYR C 1 86 ? 7.340 -36.537 8.116 1.00 41.82 ? 86 TYR C CA 1 ATOM 2195 C C . TYR C 1 86 ? 6.707 -35.168 7.979 1.00 42.54 ? 86 TYR C C 1 ATOM 2196 O O . TYR C 1 86 ? 5.785 -34.985 7.189 1.00 43.66 ? 86 TYR C O 1 ATOM 2197 C CB . TYR C 1 86 ? 8.611 -36.586 7.247 1.00 40.76 ? 86 TYR C CB 1 ATOM 2198 C CG . TYR C 1 86 ? 8.393 -36.338 5.777 1.00 41.77 ? 86 TYR C CG 1 ATOM 2199 C CD1 . TYR C 1 86 ? 8.463 -35.051 5.247 1.00 42.51 ? 86 TYR C CD1 1 ATOM 2200 C CD2 . TYR C 1 86 ? 8.118 -37.395 4.908 1.00 42.97 ? 86 TYR C CD2 1 ATOM 2201 C CE1 . TYR C 1 86 ? 8.268 -34.823 3.888 1.00 44.67 ? 86 TYR C CE1 1 ATOM 2202 C CE2 . TYR C 1 86 ? 7.919 -37.178 3.548 1.00 42.84 ? 86 TYR C CE2 1 ATOM 2203 C CZ . TYR C 1 86 ? 7.997 -35.889 3.044 1.00 45.43 ? 86 TYR C CZ 1 ATOM 2204 O OH . TYR C 1 86 ? 7.797 -35.647 1.697 1.00 46.86 ? 86 TYR C OH 1 ATOM 2205 N N . LYS C 1 87 ? 7.171 -34.218 8.789 1.00 41.32 ? 87 LYS C N 1 ATOM 2206 C CA . LYS C 1 87 ? 6.736 -32.840 8.635 1.00 39.76 ? 87 LYS C CA 1 ATOM 2207 C C . LYS C 1 87 ? 7.967 -31.947 8.524 1.00 38.56 ? 87 LYS C C 1 ATOM 2208 O O . LYS C 1 87 ? 8.807 -31.914 9.432 1.00 39.48 ? 87 LYS C O 1 ATOM 2209 C CB . LYS C 1 87 ? 5.885 -32.338 9.793 1.00 40.04 ? 87 LYS C CB 1 ATOM 2210 C CG . LYS C 1 87 ? 5.475 -30.873 9.605 1.00 40.75 ? 87 LYS C CG 1 ATOM 2211 C CD . LYS C 1 87 ? 4.607 -30.376 10.742 1.00 41.04 ? 87 LYS C CD 1 ATOM 2212 C CE . LYS C 1 87 ? 5.394 -30.303 12.040 1.00 41.42 ? 87 LYS C CE 1 ATOM 2213 N NZ . LYS C 1 87 ? 4.560 -29.778 13.161 1.00 45.02 ? 87 LYS C NZ 1 ATOM 2214 N N . LEU C 1 88 ? 8.046 -31.233 7.402 1.00 37.80 ? 88 LEU C N 1 ATOM 2215 C CA . LEU C 1 88 ? 9.121 -30.292 7.133 1.00 37.58 ? 88 LEU C CA 1 ATOM 2216 C C . LEU C 1 88 ? 8.789 -28.911 7.695 1.00 35.89 ? 88 LEU C C 1 ATOM 2217 O O . LEU C 1 88 ? 7.626 -28.511 7.724 1.00 36.56 ? 88 LEU C O 1 ATOM 2218 C CB . LEU C 1 88 ? 9.328 -30.117 5.609 1.00 36.87 ? 88 LEU C CB 1 ATOM 2219 C CG . LEU C 1 88 ? 9.730 -31.310 4.739 1.00 39.47 ? 88 LEU C CG 1 ATOM 2220 C CD1 . LEU C 1 88 ? 9.617 -30.929 3.268 1.00 37.59 ? 88 LEU C CD1 1 ATOM 2221 C CD2 . LEU C 1 88 ? 11.147 -31.753 5.075 1.00 38.23 ? 88 LEU C CD2 1 ATOM 2222 N N . ILE C 1 89 ? 9.811 -28.210 8.185 1.00 35.36 ? 89 ILE C N 1 ATOM 2223 C CA . ILE C 1 89 ? 9.626 -26.831 8.612 1.00 33.96 ? 89 ILE C CA 1 ATOM 2224 C C . ILE C 1 89 ? 10.621 -25.963 7.827 1.00 34.38 ? 89 ILE C C 1 ATOM 2225 O O . ILE C 1 89 ? 11.707 -26.423 7.466 1.00 33.24 ? 89 ILE C O 1 ATOM 2226 C CB . ILE C 1 89 ? 9.850 -26.598 10.119 1.00 34.32 ? 89 ILE C CB 1 ATOM 2227 C CG1 . ILE C 1 89 ? 11.323 -26.799 10.485 1.00 35.49 ? 89 ILE C CG1 1 ATOM 2228 C CG2 . ILE C 1 89 ? 8.962 -27.537 10.915 1.00 33.03 ? 89 ILE C CG2 1 ATOM 2229 C CD1 . ILE C 1 89 ? 11.685 -26.243 11.847 1.00 33.35 ? 89 ILE C CD1 1 ATOM 2230 N N . TRP C 1 90 ? 10.251 -24.714 7.555 1.00 34.59 ? 90 TRP C N 1 ATOM 2231 C CA . TRP C 1 90 ? 11.151 -23.829 6.840 1.00 35.43 ? 90 TRP C CA 1 ATOM 2232 C C . TRP C 1 90 ? 10.979 -22.379 7.268 1.00 35.03 ? 90 TRP C C 1 ATOM 2233 O O . TRP C 1 90 ? 9.894 -21.953 7.671 1.00 35.17 ? 90 TRP C O 1 ATOM 2234 C CB . TRP C 1 90 ? 10.916 -23.922 5.315 1.00 35.96 ? 90 TRP C CB 1 ATOM 2235 C CG . TRP C 1 90 ? 9.532 -23.512 4.899 1.00 35.12 ? 90 TRP C CG 1 ATOM 2236 C CD1 . TRP C 1 90 ? 8.452 -24.328 4.740 1.00 35.57 ? 90 TRP C CD1 1 ATOM 2237 C CD2 . TRP C 1 90 ? 9.078 -22.185 4.613 1.00 34.09 ? 90 TRP C CD2 1 ATOM 2238 N NE1 . TRP C 1 90 ? 7.355 -23.596 4.372 1.00 34.29 ? 90 TRP C NE1 1 ATOM 2239 C CE2 . TRP C 1 90 ? 7.708 -22.276 4.285 1.00 34.79 ? 90 TRP C CE2 1 ATOM 2240 C CE3 . TRP C 1 90 ? 9.693 -20.926 4.606 1.00 31.65 ? 90 TRP C CE3 1 ATOM 2241 C CZ2 . TRP C 1 90 ? 6.941 -21.159 3.951 1.00 33.74 ? 90 TRP C CZ2 1 ATOM 2242 C CZ3 . TRP C 1 90 ? 8.933 -19.818 4.274 1.00 33.97 ? 90 TRP C CZ3 1 ATOM 2243 C CH2 . TRP C 1 90 ? 7.568 -19.942 3.950 1.00 33.40 ? 90 TRP C CH2 1 ATOM 2244 N N . ILE C 1 91 ? 12.076 -21.636 7.209 1.00 34.67 ? 91 ILE C N 1 ATOM 2245 C CA . ILE C 1 91 ? 12.047 -20.214 7.490 1.00 34.69 ? 91 ILE C CA 1 ATOM 2246 C C . ILE C 1 91 ? 12.944 -19.488 6.479 1.00 36.40 ? 91 ILE C C 1 ATOM 2247 O O . ILE C 1 91 ? 14.053 -19.939 6.158 1.00 36.24 ? 91 ILE C O 1 ATOM 2248 C CB . ILE C 1 91 ? 12.442 -19.893 8.956 1.00 32.67 ? 91 ILE C CB 1 ATOM 2249 C CG1 . ILE C 1 91 ? 12.334 -18.385 9.213 1.00 31.07 ? 91 ILE C CG1 1 ATOM 2250 C CG2 . ILE C 1 91 ? 13.825 -20.420 9.265 1.00 32.72 ? 91 ILE C CG2 1 ATOM 2251 C CD1 . ILE C 1 91 ? 12.505 -18.015 10.681 1.00 29.54 ? 91 ILE C CD1 1 ATOM 2252 N N . ALA C 1 92 ? 12.424 -18.375 5.964 1.00 37.15 ? 92 ALA C N 1 ATOM 2253 C CA . ALA C 1 92 ? 13.119 -17.555 4.985 1.00 38.16 ? 92 ALA C CA 1 ATOM 2254 C C . ALA C 1 92 ? 13.190 -16.113 5.459 1.00 38.83 ? 92 ALA C C 1 ATOM 2255 O O . ALA C 1 92 ? 12.172 -15.515 5.796 1.00 38.93 ? 92 ALA C O 1 ATOM 2256 C CB . ALA C 1 92 ? 12.377 -17.613 3.642 1.00 38.87 ? 92 ALA C CB 1 ATOM 2257 N N . CYS C 1 93 ? 14.402 -15.571 5.526 1.00 39.08 ? 93 CYS C N 1 ATOM 2258 C CA . CYS C 1 93 ? 14.576 -14.181 5.902 1.00 40.23 ? 93 CYS C CA 1 ATOM 2259 C C . CYS C 1 93 ? 15.559 -13.498 4.949 1.00 41.80 ? 93 CYS C C 1 ATOM 2260 O O . CYS C 1 93 ? 16.475 -14.135 4.424 1.00 41.09 ? 93 CYS C O 1 ATOM 2261 C CB . CYS C 1 93 ? 15.111 -14.047 7.327 1.00 40.42 ? 93 CYS C CB 1 ATOM 2262 S SG . CYS C 1 93 ? 14.215 -14.975 8.613 1.00 40.63 ? 93 CYS C SG 1 ATOM 2263 N N . ASP C 1 94 ? 15.345 -12.207 4.707 1.00 43.26 ? 94 ASP C N 1 ATOM 2264 C CA . ASP C 1 94 ? 16.267 -11.435 3.879 1.00 44.94 ? 94 ASP C CA 1 ATOM 2265 C C . ASP C 1 94 ? 17.024 -10.433 4.773 1.00 44.66 ? 94 ASP C C 1 ATOM 2266 O O . ASP C 1 94 ? 17.113 -10.641 5.994 1.00 44.93 ? 94 ASP C O 1 ATOM 2267 C CB . ASP C 1 94 ? 15.532 -10.707 2.740 1.00 45.88 ? 94 ASP C CB 1 ATOM 2268 C CG . ASP C 1 94 ? 14.692 -9.528 3.214 1.00 47.99 ? 94 ASP C CG 1 ATOM 2269 O OD1 . ASP C 1 94 ? 14.435 -9.403 4.431 1.00 48.07 ? 94 ASP C OD1 1 ATOM 2270 O OD2 . ASP C 1 94 ? 14.277 -8.716 2.352 1.00 49.82 ? 94 ASP C OD2 1 ATOM 2271 O OXT . ASP C 1 94 ? 17.554 -9.438 4.273 1.00 46.48 ? 94 ASP C OXT 1 ATOM 2272 N N . ARG D 1 1 ? 15.426 -6.443 18.423 1.00 44.32 ? 1 ARG D N 1 ATOM 2273 C CA . ARG D 1 1 ? 16.083 -5.372 19.213 1.00 45.85 ? 1 ARG D CA 1 ATOM 2274 C C . ARG D 1 1 ? 15.285 -4.078 19.099 1.00 46.27 ? 1 ARG D C 1 ATOM 2275 O O . ARG D 1 1 ? 14.481 -3.904 18.179 1.00 45.49 ? 1 ARG D O 1 ATOM 2276 C CB . ARG D 1 1 ? 17.515 -5.146 18.703 1.00 46.14 ? 1 ARG D CB 1 ATOM 2277 C CG . ARG D 1 1 ? 17.610 -4.384 17.390 1.00 48.13 ? 1 ARG D CG 1 ATOM 2278 C CD . ARG D 1 1 ? 19.057 -4.128 16.994 1.00 51.79 ? 1 ARG D CD 1 ATOM 2279 N NE . ARG D 1 1 ? 19.170 -3.215 15.860 1.00 53.88 ? 1 ARG D NE 1 ATOM 2280 C CZ . ARG D 1 1 ? 18.875 -3.533 14.601 1.00 57.11 ? 1 ARG D CZ 1 ATOM 2281 N NH1 . ARG D 1 1 ? 18.446 -4.754 14.295 1.00 58.25 ? 1 ARG D NH1 1 ATOM 2282 N NH2 . ARG D 1 1 ? 19.012 -2.626 13.640 1.00 58.00 ? 1 ARG D NH2 1 ATOM 2283 N N . LEU D 1 2 ? 15.500 -3.176 20.050 1.00 47.37 ? 2 LEU D N 1 ATOM 2284 C CA . LEU D 1 2 ? 14.825 -1.887 20.043 1.00 48.42 ? 2 LEU D CA 1 ATOM 2285 C C . LEU D 1 2 ? 15.566 -0.832 19.224 1.00 48.45 ? 2 LEU D C 1 ATOM 2286 O O . LEU D 1 2 ? 16.781 -0.656 19.363 1.00 48.29 ? 2 LEU D O 1 ATOM 2287 C CB . LEU D 1 2 ? 14.662 -1.353 21.483 1.00 49.91 ? 2 LEU D CB 1 ATOM 2288 C CG . LEU D 1 2 ? 13.530 -2.016 22.282 1.00 53.00 ? 2 LEU D CG 1 ATOM 2289 C CD1 . LEU D 1 2 ? 13.543 -1.558 23.735 1.00 53.90 ? 2 LEU D CD1 1 ATOM 2290 C CD2 . LEU D 1 2 ? 12.191 -1.686 21.626 1.00 53.92 ? 2 LEU D CD2 1 ATOM 2291 N N . ILE D 1 3 ? 14.841 -0.162 18.335 1.00 48.09 ? 3 ILE D N 1 ATOM 2292 C CA . ILE D 1 3 ? 15.426 0.940 17.585 1.00 49.04 ? 3 ILE D CA 1 ATOM 2293 C C . ILE D 1 3 ? 14.493 2.152 17.589 1.00 48.88 ? 3 ILE D C 1 ATOM 2294 O O . ILE D 1 3 ? 13.284 2.016 17.797 1.00 48.31 ? 3 ILE D O 1 ATOM 2295 C CB . ILE D 1 3 ? 15.697 0.601 16.105 1.00 48.67 ? 3 ILE D CB 1 ATOM 2296 C CG1 . ILE D 1 3 ? 14.417 0.102 15.445 1.00 48.47 ? 3 ILE D CG1 1 ATOM 2297 C CG2 . ILE D 1 3 ? 16.821 -0.413 16.005 1.00 47.46 ? 3 ILE D CG2 1 ATOM 2298 C CD1 . ILE D 1 3 ? 14.528 -0.031 13.944 1.00 50.82 ? 3 ILE D CD1 1 ATOM 2299 N N . HIS D 1 4 ? 15.078 3.328 17.374 1.00 48.75 ? 4 HIS D N 1 ATOM 2300 C CA . HIS D 1 4 ? 14.321 4.564 17.258 1.00 50.02 ? 4 HIS D CA 1 ATOM 2301 C C . HIS D 1 4 ? 14.081 4.884 15.779 1.00 48.51 ? 4 HIS D C 1 ATOM 2302 O O . HIS D 1 4 ? 15.027 5.025 15.002 1.00 49.12 ? 4 HIS D O 1 ATOM 2303 C CB . HIS D 1 4 ? 15.082 5.737 17.885 1.00 54.88 ? 4 HIS D CB 1 ATOM 2304 C CG . HIS D 1 4 ? 14.888 5.857 19.364 1.00 61.29 ? 4 HIS D CG 1 ATOM 2305 N ND1 . HIS D 1 4 ? 13.825 6.539 19.922 1.00 64.80 ? 4 HIS D ND1 1 ATOM 2306 C CD2 . HIS D 1 4 ? 15.615 5.376 20.403 1.00 63.30 ? 4 HIS D CD2 1 ATOM 2307 C CE1 . HIS D 1 4 ? 13.909 6.475 21.240 1.00 66.91 ? 4 HIS D CE1 1 ATOM 2308 N NE2 . HIS D 1 4 ? 14.987 5.776 21.558 1.00 66.37 ? 4 HIS D NE2 1 ATOM 2309 N N . VAL D 1 5 ? 12.817 4.963 15.384 1.00 45.75 ? 5 VAL D N 1 ATOM 2310 C CA . VAL D 1 5 ? 12.492 5.343 14.021 1.00 45.12 ? 5 VAL D CA 1 ATOM 2311 C C . VAL D 1 5 ? 11.349 6.344 14.039 1.00 44.34 ? 5 VAL D C 1 ATOM 2312 O O . VAL D 1 5 ? 10.597 6.427 15.007 1.00 45.62 ? 5 VAL D O 1 ATOM 2313 C CB . VAL D 1 5 ? 12.056 4.148 13.139 1.00 46.27 ? 5 VAL D CB 1 ATOM 2314 C CG1 . VAL D 1 5 ? 13.219 3.194 12.942 1.00 46.67 ? 5 VAL D CG1 1 ATOM 2315 C CG2 . VAL D 1 5 ? 10.869 3.439 13.762 1.00 48.49 ? 5 VAL D CG2 1 ATOM 2316 N N . SER D 1 6 ? 11.244 7.124 12.976 1.00 41.98 ? 6 SER D N 1 ATOM 2317 C CA . SER D 1 6 ? 10.164 8.052 12.878 1.00 39.33 ? 6 SER D CA 1 ATOM 2318 C C . SER D 1 6 ? 9.387 7.896 11.576 1.00 39.32 ? 6 SER D C 1 ATOM 2319 O O . SER D 1 6 ? 9.946 7.527 10.540 1.00 38.78 ? 6 SER D O 1 ATOM 2320 C CB . SER D 1 6 ? 10.685 9.519 12.911 1.00 38.82 ? 6 SER D CB 1 ATOM 2321 O OG . SER D 1 6 ? 11.182 9.867 14.188 1.00 39.13 ? 6 SER D OG 1 ATOM 2322 N N . ARG D 1 7 ? 8.077 8.086 11.700 1.00 37.55 ? 7 ARG D N 1 ATOM 2323 C CA . ARG D 1 7 ? 7.266 8.266 10.512 1.00 37.49 ? 7 ARG D CA 1 ATOM 2324 C C . ARG D 1 7 ? 7.022 9.818 10.464 1.00 37.87 ? 7 ARG D C 1 ATOM 2325 O O . ARG D 1 7 ? 6.749 10.455 11.485 1.00 35.78 ? 7 ARG D O 1 ATOM 2326 C CB . ARG D 1 7 ? 5.924 7.577 10.602 1.00 38.43 ? 7 ARG D CB 1 ATOM 2327 C CG . ARG D 1 7 ? 4.966 7.941 9.489 1.00 39.90 ? 7 ARG D CG 1 ATOM 2328 C CD . ARG D 1 7 ? 3.568 7.578 9.929 1.00 41.07 ? 7 ARG D CD 1 ATOM 2329 N NE . ARG D 1 7 ? 2.539 8.130 9.064 1.00 43.30 ? 7 ARG D NE 1 ATOM 2330 C CZ . ARG D 1 7 ? 1.241 8.064 9.342 1.00 45.06 ? 7 ARG D CZ 1 ATOM 2331 N NH1 . ARG D 1 7 ? 0.839 7.465 10.456 1.00 43.25 ? 7 ARG D NH1 1 ATOM 2332 N NH2 . ARG D 1 7 ? 0.349 8.600 8.516 1.00 43.86 ? 7 ARG D NH2 1 ATOM 2333 N N . CYS D 1 8 ? 7.140 10.408 9.274 1.00 37.95 ? 8 CYS D N 1 ATOM 2334 C CA . CYS D 1 8 ? 6.887 11.829 9.109 1.00 38.43 ? 8 CYS D CA 1 ATOM 2335 C C . CYS D 1 8 ? 5.874 12.148 8.021 1.00 39.08 ? 8 CYS D C 1 ATOM 2336 O O . CYS D 1 8 ? 5.847 11.515 6.970 1.00 39.42 ? 8 CYS D O 1 ATOM 2337 C CB . CYS D 1 8 ? 8.162 12.591 8.764 1.00 38.89 ? 8 CYS D CB 1 ATOM 2338 S SG . CYS D 1 8 ? 9.442 12.658 10.077 1.00 39.08 ? 8 CYS D SG 1 ATOM 2339 N N . GLU D 1 9 ? 5.031 13.135 8.304 1.00 39.30 ? 9 GLU D N 1 ATOM 2340 C CA . GLU D 1 9 ? 4.072 13.633 7.326 1.00 39.94 ? 9 GLU D CA 1 ATOM 2341 C C . GLU D 1 9 ? 4.309 15.145 7.230 1.00 38.39 ? 9 GLU D C 1 ATOM 2342 O O . GLU D 1 9 ? 4.753 15.771 8.187 1.00 38.36 ? 9 GLU D O 1 ATOM 2343 C CB . GLU D 1 9 ? 2.628 13.360 7.755 1.00 41.50 ? 9 GLU D CB 1 ATOM 2344 C CG . GLU D 1 9 ? 2.276 11.884 7.861 1.00 44.75 ? 9 GLU D CG 1 ATOM 2345 C CD . GLU D 1 9 ? 2.521 11.128 6.572 1.00 47.58 ? 9 GLU D CD 1 ATOM 2346 O OE1 . GLU D 1 9 ? 2.318 11.721 5.489 1.00 50.61 ? 9 GLU D OE1 1 ATOM 2347 O OE2 . GLU D 1 9 ? 2.904 9.938 6.639 1.00 50.73 ? 9 GLU D OE2 1 ATOM 2348 N N . MET D 1 10 ? 4.020 15.743 6.084 1.00 37.91 ? 10 MET D N 1 ATOM 2349 C CA . MET D 1 10 ? 4.238 17.175 5.963 1.00 38.22 ? 10 MET D CA 1 ATOM 2350 C C . MET D 1 10 ? 3.307 17.783 4.930 1.00 38.33 ? 10 MET D C 1 ATOM 2351 O O . MET D 1 10 ? 2.714 17.061 4.135 1.00 39.68 ? 10 MET D O 1 ATOM 2352 C CB . MET D 1 10 ? 5.698 17.455 5.617 1.00 36.73 ? 10 MET D CB 1 ATOM 2353 C CG . MET D 1 10 ? 6.068 17.093 4.210 1.00 36.65 ? 10 MET D CG 1 ATOM 2354 S SD . MET D 1 10 ? 7.842 17.265 3.929 1.00 37.85 ? 10 MET D SD 1 ATOM 2355 C CE . MET D 1 10 ? 8.442 15.765 4.683 1.00 35.19 ? 10 MET D CE 1 ATOM 2356 N N . GLY D 1 11 ? 3.188 19.108 4.948 1.00 38.48 ? 11 GLY D N 1 ATOM 2357 C CA . GLY D 1 11 ? 2.284 19.780 4.035 1.00 39.00 ? 11 GLY D CA 1 ATOM 2358 C C . GLY D 1 11 ? 2.375 21.293 4.021 1.00 40.04 ? 11 GLY D C 1 ATOM 2359 O O . GLY D 1 11 ? 3.026 21.912 4.864 1.00 40.66 ? 11 GLY D O 1 ATOM 2360 N N . THR D 1 12 ? 1.736 21.899 3.032 1.00 41.12 ? 12 THR D N 1 ATOM 2361 C CA . THR D 1 12 ? 1.732 23.349 2.932 1.00 42.94 ? 12 THR D CA 1 ATOM 2362 C C . THR D 1 12 ? 0.296 23.841 2.754 1.00 43.41 ? 12 THR D C 1 ATOM 2363 O O . THR D 1 12 ? -0.568 23.100 2.295 1.00 44.03 ? 12 THR D O 1 ATOM 2364 C CB . THR D 1 12 ? 2.572 23.841 1.734 1.00 42.41 ? 12 THR D CB 1 ATOM 2365 O OG1 . THR D 1 12 ? 1.888 23.538 0.517 1.00 44.46 ? 12 THR D OG1 1 ATOM 2366 C CG2 . THR D 1 12 ? 3.943 23.165 1.728 1.00 41.76 ? 12 THR D CG2 1 ATOM 2367 N N . SER D 1 13 ? 0.036 25.077 3.167 1.00 43.18 ? 13 SER D N 1 ATOM 2368 C CA . SER D 1 13 ? -1.290 25.660 2.988 1.00 44.38 ? 13 SER D CA 1 ATOM 2369 C C . SER D 1 13 ? -1.118 27.111 2.556 1.00 43.77 ? 13 SER D C 1 ATOM 2370 O O . SER D 1 13 ? -0.588 27.941 3.295 1.00 44.57 ? 13 SER D O 1 ATOM 2371 C CB . SER D 1 13 ? -2.120 25.551 4.266 1.00 45.46 ? 13 SER D CB 1 ATOM 2372 O OG . SER D 1 13 ? -3.422 26.080 4.070 1.00 49.92 ? 13 SER D OG 1 ATOM 2373 N N . THR D 1 14 ? -1.570 27.396 1.339 1.00 42.84 ? 14 THR D N 1 ATOM 2374 C CA . THR D 1 14 ? -1.443 28.711 0.746 1.00 43.17 ? 14 THR D CA 1 ATOM 2375 C C . THR D 1 14 ? -2.678 29.574 0.939 1.00 44.15 ? 14 THR D C 1 ATOM 2376 O O . THR D 1 14 ? -3.809 29.114 0.772 1.00 44.20 ? 14 THR D O 1 ATOM 2377 C CB . THR D 1 14 ? -1.146 28.579 -0.771 1.00 42.63 ? 14 THR D CB 1 ATOM 2378 O OG1 . THR D 1 14 ? 0.089 27.883 -0.953 1.00 43.15 ? 14 THR D OG1 1 ATOM 2379 C CG2 . THR D 1 14 ? -1.042 29.945 -1.430 1.00 43.51 ? 14 THR D CG2 1 ATOM 2380 N N . HIS D 1 15 ? -2.434 30.824 1.321 1.00 45.02 ? 15 HIS D N 1 ATOM 2381 C CA . HIS D 1 15 ? -3.478 31.805 1.519 1.00 45.83 ? 15 HIS D CA 1 ATOM 2382 C C . HIS D 1 15 ? -3.217 33.019 0.633 1.00 48.33 ? 15 HIS D C 1 ATOM 2383 O O . HIS D 1 15 ? -2.335 33.846 0.913 1.00 49.40 ? 15 HIS D O 1 ATOM 2384 C CB . HIS D 1 15 ? -3.552 32.250 2.984 1.00 43.68 ? 15 HIS D CB 1 ATOM 2385 C CG . HIS D 1 15 ? -4.033 31.185 3.918 1.00 44.90 ? 15 HIS D CG 1 ATOM 2386 N ND1 . HIS D 1 15 ? -5.182 31.317 4.670 1.00 45.41 ? 15 HIS D ND1 1 ATOM 2387 C CD2 . HIS D 1 15 ? -3.520 29.971 4.229 1.00 45.48 ? 15 HIS D CD2 1 ATOM 2388 C CE1 . HIS D 1 15 ? -5.353 30.232 5.406 1.00 45.68 ? 15 HIS D CE1 1 ATOM 2389 N NE2 . HIS D 1 15 ? -4.359 29.399 5.156 1.00 45.52 ? 15 HIS D NE2 1 ATOM 2390 N N . ARG D 1 16 ? -3.964 33.082 -0.468 1.00 50.20 ? 16 ARG D N 1 ATOM 2391 C CA . ARG D 1 16 ? -3.895 34.224 -1.383 1.00 51.88 ? 16 ARG D CA 1 ATOM 2392 C C . ARG D 1 16 ? -5.094 35.107 -1.025 1.00 52.03 ? 16 ARG D C 1 ATOM 2393 O O . ARG D 1 16 ? -6.243 34.783 -1.323 1.00 53.69 ? 16 ARG D O 1 ATOM 2394 C CB . ARG D 1 16 ? -3.951 33.761 -2.833 1.00 51.58 ? 16 ARG D CB 1 ATOM 2395 C CG . ARG D 1 16 ? -2.769 32.881 -3.205 1.00 53.84 ? 16 ARG D CG 1 ATOM 2396 C CD . ARG D 1 16 ? -2.758 32.515 -4.678 1.00 56.68 ? 16 ARG D CD 1 ATOM 2397 N NE . ARG D 1 16 ? -1.392 32.397 -5.185 1.00 60.40 ? 16 ARG D NE 1 ATOM 2398 C CZ . ARG D 1 16 ? -1.078 32.049 -6.428 1.00 62.35 ? 16 ARG D CZ 1 ATOM 2399 N NH1 . ARG D 1 16 ? -2.033 31.777 -7.307 1.00 65.13 ? 16 ARG D NH1 1 ATOM 2400 N NH2 . ARG D 1 16 ? 0.195 31.979 -6.799 1.00 64.17 ? 16 ARG D NH2 1 ATOM 2401 N N . CYS D 1 17 ? -4.801 36.230 -0.381 1.00 51.49 ? 17 CYS D N 1 ATOM 2402 C CA . CYS D 1 17 ? -5.845 37.120 0.096 1.00 51.83 ? 17 CYS D CA 1 ATOM 2403 C C . CYS D 1 17 ? -5.987 38.363 -0.746 1.00 51.52 ? 17 CYS D C 1 ATOM 2404 O O . CYS D 1 17 ? -7.107 38.776 -1.053 1.00 51.55 ? 17 CYS D O 1 ATOM 2405 C CB . CYS D 1 17 ? -5.553 37.498 1.551 1.00 51.53 ? 17 CYS D CB 1 ATOM 2406 S SG . CYS D 1 17 ? -4.927 36.116 2.546 1.00 53.72 ? 17 CYS D SG 1 ATOM 2407 N N . TRP D 1 18 ? -4.849 38.947 -1.126 1.00 51.49 ? 18 TRP D N 1 ATOM 2408 C CA . TRP D 1 18 ? -4.808 40.160 -1.943 1.00 50.64 ? 18 TRP D CA 1 ATOM 2409 C C . TRP D 1 18 ? -5.732 39.976 -3.139 1.00 51.26 ? 18 TRP D C 1 ATOM 2410 O O . TRP D 1 18 ? -5.795 38.894 -3.719 1.00 50.89 ? 18 TRP D O 1 ATOM 2411 C CB . TRP D 1 18 ? -3.364 40.415 -2.426 1.00 48.18 ? 18 TRP D CB 1 ATOM 2412 C CG . TRP D 1 18 ? -3.177 41.673 -3.247 1.00 46.61 ? 18 TRP D CG 1 ATOM 2413 C CD1 . TRP D 1 18 ? -2.959 42.942 -2.781 1.00 46.27 ? 18 TRP D CD1 1 ATOM 2414 C CD2 . TRP D 1 18 ? -3.189 41.769 -4.675 1.00 45.54 ? 18 TRP D CD2 1 ATOM 2415 N NE1 . TRP D 1 18 ? -2.829 43.819 -3.834 1.00 45.13 ? 18 TRP D NE1 1 ATOM 2416 C CE2 . TRP D 1 18 ? -2.968 43.125 -5.007 1.00 45.41 ? 18 TRP D CE2 1 ATOM 2417 C CE3 . TRP D 1 18 ? -3.364 40.840 -5.710 1.00 46.45 ? 18 TRP D CE3 1 ATOM 2418 C CZ2 . TRP D 1 18 ? -2.919 43.574 -6.329 1.00 43.88 ? 18 TRP D CZ2 1 ATOM 2419 C CZ3 . TRP D 1 18 ? -3.313 41.286 -7.023 1.00 44.32 ? 18 TRP D CZ3 1 ATOM 2420 C CH2 . TRP D 1 18 ? -3.092 42.642 -7.319 1.00 44.90 ? 18 TRP D CH2 1 ATOM 2421 N N . PRO D 1 19 ? -6.450 41.040 -3.542 1.00 51.12 ? 19 PRO D N 1 ATOM 2422 C CA . PRO D 1 19 ? -6.512 42.408 -3.021 1.00 50.37 ? 19 PRO D CA 1 ATOM 2423 C C . PRO D 1 19 ? -7.091 42.641 -1.638 1.00 50.76 ? 19 PRO D C 1 ATOM 2424 O O . PRO D 1 19 ? -7.143 43.790 -1.198 1.00 49.85 ? 19 PRO D O 1 ATOM 2425 C CB . PRO D 1 19 ? -7.276 43.185 -4.081 1.00 51.51 ? 19 PRO D CB 1 ATOM 2426 C CG . PRO D 1 19 ? -7.950 42.152 -4.908 1.00 52.38 ? 19 PRO D CG 1 ATOM 2427 C CD . PRO D 1 19 ? -7.078 40.952 -4.871 1.00 52.49 ? 19 PRO D CD 1 ATOM 2428 N N . ARG D 1 20 ? -7.576 41.614 -0.958 1.00 50.16 ? 20 ARG D N 1 ATOM 2429 C CA . ARG D 1 20 ? -8.062 41.866 0.389 1.00 51.51 ? 20 ARG D CA 1 ATOM 2430 C C . ARG D 1 20 ? -6.991 41.515 1.435 1.00 51.89 ? 20 ARG D C 1 ATOM 2431 O O . ARG D 1 20 ? -6.041 40.791 1.139 1.00 51.22 ? 20 ARG D O 1 ATOM 2432 C CB . ARG D 1 20 ? -9.301 40.975 0.692 1.00 50.47 ? 20 ARG D CB 1 ATOM 2433 N N . PRO D 1 21 ? -7.055 42.163 2.615 1.00 52.47 ? 21 PRO D N 1 ATOM 2434 C CA . PRO D 1 21 ? -6.032 41.810 3.606 1.00 52.40 ? 21 PRO D CA 1 ATOM 2435 C C . PRO D 1 21 ? -6.436 40.394 4.128 1.00 52.47 ? 21 PRO D C 1 ATOM 2436 O O . PRO D 1 21 ? -7.627 40.065 4.221 1.00 53.04 ? 21 PRO D O 1 ATOM 2437 C CB . PRO D 1 21 ? -6.254 42.825 4.724 1.00 52.14 ? 21 PRO D CB 1 ATOM 2438 C CG . PRO D 1 21 ? -6.685 44.047 3.992 1.00 55.18 ? 21 PRO D CG 1 ATOM 2439 C CD . PRO D 1 21 ? -7.605 43.514 2.896 1.00 54.66 ? 21 PRO D CD 1 ATOM 2440 N N . CYS D 1 22 ? -5.443 39.568 4.446 1.00 51.84 ? 22 CYS D N 1 ATOM 2441 C CA . CYS D 1 22 ? -5.711 38.251 4.995 1.00 51.46 ? 22 CYS D CA 1 ATOM 2442 C C . CYS D 1 22 ? -6.395 38.435 6.346 1.00 51.39 ? 22 CYS D C 1 ATOM 2443 O O . CYS D 1 22 ? -6.211 39.461 7.002 1.00 51.22 ? 22 CYS D O 1 ATOM 2444 C CB . CYS D 1 22 ? -4.404 37.477 5.206 1.00 50.55 ? 22 CYS D CB 1 ATOM 2445 S SG . CYS D 1 22 ? -3.535 37.080 3.664 1.00 51.89 ? 22 CYS D SG 1 ATOM 2446 N N . ASP D 1 23 ? -7.204 37.454 6.738 1.00 51.70 ? 23 ASP D N 1 ATOM 2447 C CA . ASP D 1 23 ? -7.878 37.506 8.034 1.00 52.62 ? 23 ASP D CA 1 ATOM 2448 C C . ASP D 1 23 ? -6.818 37.604 9.128 1.00 52.92 ? 23 ASP D C 1 ATOM 2449 O O . ASP D 1 23 ? -5.686 37.151 8.954 1.00 54.10 ? 23 ASP D O 1 ATOM 2450 C CB . ASP D 1 23 ? -8.730 36.245 8.260 1.00 55.08 ? 23 ASP D CB 1 ATOM 2451 C CG . ASP D 1 23 ? -9.911 36.166 7.305 1.00 57.20 ? 23 ASP D CG 1 ATOM 2452 O OD1 . ASP D 1 23 ? -10.427 35.049 7.076 1.00 57.41 ? 23 ASP D OD1 1 ATOM 2453 O OD2 . ASP D 1 23 ? -10.327 37.228 6.787 1.00 58.01 ? 23 ASP D OD2 1 ATOM 2454 N N . THR D 1 24 ? -7.193 38.215 10.247 1.00 52.42 ? 24 THR D N 1 ATOM 2455 C CA . THR D 1 24 ? -6.292 38.386 11.378 1.00 51.48 ? 24 THR D CA 1 ATOM 2456 C C . THR D 1 24 ? -5.761 37.031 11.839 1.00 51.35 ? 24 THR D C 1 ATOM 2457 O O . THR D 1 24 ? -4.650 36.930 12.369 1.00 51.20 ? 24 THR D O 1 ATOM 2458 C CB . THR D 1 24 ? -7.013 39.117 12.537 1.00 51.08 ? 24 THR D CB 1 ATOM 2459 O OG1 . THR D 1 24 ? -7.288 40.462 12.130 1.00 53.42 ? 24 THR D OG1 1 ATOM 2460 C CG2 . THR D 1 24 ? -6.157 39.141 13.799 1.00 50.98 ? 24 THR D CG2 1 ATOM 2461 N N . SER D 1 25 ? -6.544 35.983 11.604 1.00 50.73 ? 25 SER D N 1 ATOM 2462 C CA . SER D 1 25 ? -6.127 34.645 11.980 1.00 51.03 ? 25 SER D CA 1 ATOM 2463 C C . SER D 1 25 ? -6.796 33.564 11.137 1.00 51.05 ? 25 SER D C 1 ATOM 2464 O O . SER D 1 25 ? -7.785 33.816 10.449 1.00 51.85 ? 25 SER D O 1 ATOM 2465 C CB . SER D 1 25 ? -6.463 34.392 13.449 1.00 52.41 ? 25 SER D CB 1 ATOM 2466 O OG . SER D 1 25 ? -7.849 34.158 13.598 1.00 55.96 ? 25 SER D OG 1 ATOM 2467 N N . SER D 1 26 ? -6.231 32.362 11.176 1.00 50.56 ? 26 SER D N 1 ATOM 2468 C CA . SER D 1 26 ? -6.816 31.229 10.476 1.00 50.34 ? 26 SER D CA 1 ATOM 2469 C C . SER D 1 26 ? -6.537 29.950 11.257 1.00 51.02 ? 26 SER D C 1 ATOM 2470 O O . SER D 1 26 ? -5.525 29.836 11.954 1.00 50.49 ? 26 SER D O 1 ATOM 2471 C CB . SER D 1 26 ? -6.273 31.103 9.050 1.00 49.98 ? 26 SER D CB 1 ATOM 2472 O OG . SER D 1 26 ? -4.889 30.813 9.047 1.00 51.68 ? 26 SER D OG 1 ATOM 2473 N N . ASP D 1 27 ? -7.463 29.002 11.161 1.00 52.08 ? 27 ASP D N 1 ATOM 2474 C CA . ASP D 1 27 ? -7.319 27.709 11.825 1.00 52.46 ? 27 ASP D CA 1 ATOM 2475 C C . ASP D 1 27 ? -7.847 26.653 10.864 1.00 53.96 ? 27 ASP D C 1 ATOM 2476 O O . ASP D 1 27 ? -9.015 26.672 10.482 1.00 54.93 ? 27 ASP D O 1 ATOM 2477 C CB . ASP D 1 27 ? -8.084 27.701 13.143 1.00 50.88 ? 27 ASP D CB 1 ATOM 2478 C CG . ASP D 1 27 ? -7.472 28.635 14.165 1.00 52.27 ? 27 ASP D CG 1 ATOM 2479 O OD1 . ASP D 1 27 ? -6.518 28.220 14.858 1.00 53.07 ? 27 ASP D OD1 1 ATOM 2480 O OD2 . ASP D 1 27 ? -7.929 29.793 14.270 1.00 54.84 ? 27 ASP D OD2 1 ATOM 2481 N N . GLU D 1 28 ? -6.976 25.736 10.458 1.00 54.53 ? 28 GLU D N 1 ATOM 2482 C CA . GLU D 1 28 ? -7.366 24.720 9.498 1.00 55.47 ? 28 GLU D CA 1 ATOM 2483 C C . GLU D 1 28 ? -7.199 23.306 10.018 1.00 56.62 ? 28 GLU D C 1 ATOM 2484 O O . GLU D 1 28 ? -6.157 22.950 10.574 1.00 57.61 ? 28 GLU D O 1 ATOM 2485 C CB . GLU D 1 28 ? -6.555 24.906 8.205 1.00 55.32 ? 28 GLU D CB 1 ATOM 2486 C CG . GLU D 1 28 ? -6.685 23.776 7.207 1.00 57.29 ? 28 GLU D CG 1 ATOM 2487 C CD . GLU D 1 28 ? -5.864 24.020 5.956 1.00 60.23 ? 28 GLU D CD 1 ATOM 2488 O OE1 . GLU D 1 28 ? -6.026 23.266 4.967 1.00 60.53 ? 28 GLU D OE1 1 ATOM 2489 O OE2 . GLU D 1 28 ? -5.051 24.973 5.966 1.00 59.59 ? 28 GLU D OE2 1 ATOM 2490 N N . PRO D 1 29 ? -8.236 22.469 9.856 1.00 56.93 ? 29 PRO D N 1 ATOM 2491 C CA . PRO D 1 29 ? -8.116 21.094 10.343 1.00 55.27 ? 29 PRO D CA 1 ATOM 2492 C C . PRO D 1 29 ? -7.267 20.238 9.416 1.00 52.66 ? 29 PRO D C 1 ATOM 2493 O O . PRO D 1 29 ? -7.516 20.167 8.208 1.00 51.93 ? 29 PRO D O 1 ATOM 2494 C CB . PRO D 1 29 ? -9.558 20.613 10.416 1.00 55.76 ? 29 PRO D CB 1 ATOM 2495 C CG . PRO D 1 29 ? -10.235 21.360 9.313 1.00 59.07 ? 29 PRO D CG 1 ATOM 2496 C CD . PRO D 1 29 ? -9.561 22.721 9.247 1.00 58.34 ? 29 PRO D CD 1 ATOM 2497 N N . ILE D 1 30 ? -6.262 19.593 9.999 1.00 50.65 ? 30 ILE D N 1 ATOM 2498 C CA . ILE D 1 30 ? -5.361 18.718 9.256 1.00 49.29 ? 30 ILE D CA 1 ATOM 2499 C C . ILE D 1 30 ? -5.547 17.297 9.781 1.00 48.87 ? 30 ILE D C 1 ATOM 2500 O O . ILE D 1 30 ? -5.614 17.076 10.994 1.00 48.53 ? 30 ILE D O 1 ATOM 2501 C CB . ILE D 1 30 ? -3.883 19.150 9.456 1.00 46.56 ? 30 ILE D CB 1 ATOM 2502 C CG1 . ILE D 1 30 ? -3.722 20.634 9.119 1.00 45.41 ? 30 ILE D CG1 1 ATOM 2503 C CG2 . ILE D 1 30 ? -2.973 18.305 8.576 1.00 44.25 ? 30 ILE D CG2 1 ATOM 2504 C CD1 . ILE D 1 30 ? -3.941 20.972 7.665 1.00 43.89 ? 30 ILE D CD1 1 ATOM 2505 N N . SER D 1 31 ? -5.641 16.343 8.860 1.00 49.50 ? 31 SER D N 1 ATOM 2506 C CA . SER D 1 31 ? -5.831 14.946 9.215 1.00 51.06 ? 31 SER D CA 1 ATOM 2507 C C . SER D 1 31 ? -4.664 14.074 8.789 1.00 50.84 ? 31 SER D C 1 ATOM 2508 O O . SER D 1 31 ? -4.120 14.256 7.698 1.00 51.64 ? 31 SER D O 1 ATOM 2509 C CB . SER D 1 31 ? -7.109 14.406 8.540 1.00 50.13 ? 31 SER D CB 1 ATOM 2510 O OG . SER D 1 31 ? -8.262 14.859 9.222 1.00 52.54 ? 31 SER D OG 1 ATOM 2511 N N . PHE D 1 32 ? -4.256 13.162 9.666 1.00 50.83 ? 32 PHE D N 1 ATOM 2512 C CA . PHE D 1 32 ? -3.224 12.213 9.293 1.00 51.97 ? 32 PHE D CA 1 ATOM 2513 C C . PHE D 1 32 ? -3.906 10.887 8.945 1.00 54.04 ? 32 PHE D C 1 ATOM 2514 O O . PHE D 1 32 ? -4.601 10.304 9.783 1.00 55.04 ? 32 PHE D O 1 ATOM 2515 C CB . PHE D 1 32 ? -2.228 11.915 10.442 1.00 46.96 ? 32 PHE D CB 1 ATOM 2516 C CG . PHE D 1 32 ? -1.643 13.140 11.080 1.00 45.31 ? 32 PHE D CG 1 ATOM 2517 C CD1 . PHE D 1 32 ? -1.119 14.172 10.309 1.00 44.65 ? 32 PHE D CD1 1 ATOM 2518 C CD2 . PHE D 1 32 ? -1.614 13.262 12.461 1.00 44.29 ? 32 PHE D CD2 1 ATOM 2519 C CE1 . PHE D 1 32 ? -0.578 15.306 10.908 1.00 44.52 ? 32 PHE D CE1 1 ATOM 2520 C CE2 . PHE D 1 32 ? -1.075 14.394 13.069 1.00 44.46 ? 32 PHE D CE2 1 ATOM 2521 C CZ . PHE D 1 32 ? -0.553 15.414 12.292 1.00 44.06 ? 32 PHE D CZ 1 ATOM 2522 N N . TRP D 1 33 ? -3.765 10.455 7.695 1.00 56.79 ? 33 TRP D N 1 ATOM 2523 C CA . TRP D 1 33 ? -4.251 9.129 7.338 1.00 59.80 ? 33 TRP D CA 1 ATOM 2524 C C . TRP D 1 33 ? -3.107 8.274 6.778 1.00 59.11 ? 33 TRP D C 1 ATOM 2525 O O . TRP D 1 33 ? -2.466 8.632 5.784 1.00 59.97 ? 33 TRP D O 1 ATOM 2526 C CB . TRP D 1 33 ? -5.395 9.138 6.349 1.00 63.55 ? 33 TRP D CB 1 ATOM 2527 C CG . TRP D 1 33 ? -6.064 7.799 6.352 1.00 68.48 ? 33 TRP D CG 1 ATOM 2528 C CD1 . TRP D 1 33 ? -5.937 6.807 5.420 1.00 69.36 ? 33 TRP D CD1 1 ATOM 2529 C CD2 . TRP D 1 33 ? -6.937 7.288 7.366 1.00 69.95 ? 33 TRP D CD2 1 ATOM 2530 N NE1 . TRP D 1 33 ? -6.674 5.709 5.794 1.00 70.56 ? 33 TRP D NE1 1 ATOM 2531 C CE2 . TRP D 1 33 ? -7.300 5.978 6.982 1.00 71.14 ? 33 TRP D CE2 1 ATOM 2532 C CE3 . TRP D 1 33 ? -7.446 7.808 8.564 1.00 71.71 ? 33 TRP D CE3 1 ATOM 2533 C CZ2 . TRP D 1 33 ? -8.153 5.180 7.751 1.00 71.77 ? 33 TRP D CZ2 1 ATOM 2534 C CZ3 . TRP D 1 33 ? -8.295 7.013 9.330 1.00 73.08 ? 33 TRP D CZ3 1 ATOM 2535 C CH2 . TRP D 1 33 ? -8.640 5.714 8.917 1.00 72.98 ? 33 TRP D CH2 1 ATOM 2536 N N . PRO D 1 34 ? -2.831 7.133 7.421 1.00 58.00 ? 34 PRO D N 1 ATOM 2537 C CA . PRO D 1 34 ? -3.540 6.667 8.625 1.00 57.53 ? 34 PRO D CA 1 ATOM 2538 C C . PRO D 1 34 ? -3.030 7.382 9.860 1.00 57.34 ? 34 PRO D C 1 ATOM 2539 O O . PRO D 1 34 ? -2.019 8.077 9.796 1.00 58.17 ? 34 PRO D O 1 ATOM 2540 C CB . PRO D 1 34 ? -3.188 5.176 8.690 1.00 56.84 ? 34 PRO D CB 1 ATOM 2541 C CG . PRO D 1 34 ? -1.894 5.066 7.960 1.00 57.29 ? 34 PRO D CG 1 ATOM 2542 C CD . PRO D 1 34 ? -1.949 6.090 6.866 1.00 57.58 ? 34 PRO D CD 1 ATOM 2543 N N . PRO D 1 35 ? -3.740 7.257 10.998 1.00 56.68 ? 35 PRO D N 1 ATOM 2544 C CA . PRO D 1 35 ? -3.313 7.913 12.239 1.00 56.55 ? 35 PRO D CA 1 ATOM 2545 C C . PRO D 1 35 ? -1.897 7.438 12.634 1.00 55.62 ? 35 PRO D C 1 ATOM 2546 O O . PRO D 1 35 ? -1.444 6.374 12.210 1.00 55.14 ? 35 PRO D O 1 ATOM 2547 C CB . PRO D 1 35 ? -4.310 7.385 13.276 1.00 55.64 ? 35 PRO D CB 1 ATOM 2548 C CG . PRO D 1 35 ? -5.544 7.148 12.496 1.00 56.60 ? 35 PRO D CG 1 ATOM 2549 C CD . PRO D 1 35 ? -5.082 6.648 11.151 1.00 57.62 ? 35 PRO D CD 1 ATOM 2550 N N . PHE D 1 36 ? -1.213 8.236 13.443 1.00 54.95 ? 36 PHE D N 1 ATOM 2551 C CA . PHE D 1 36 ? 0.085 7.829 13.957 1.00 55.29 ? 36 PHE D CA 1 ATOM 2552 C C . PHE D 1 36 ? -0.107 6.777 15.066 1.00 57.32 ? 36 PHE D C 1 ATOM 2553 O O . PHE D 1 36 ? -1.199 6.629 15.615 1.00 57.56 ? 36 PHE D O 1 ATOM 2554 C CB . PHE D 1 36 ? 0.820 9.029 14.580 1.00 53.17 ? 36 PHE D CB 1 ATOM 2555 C CG . PHE D 1 36 ? 1.567 9.861 13.582 1.00 50.01 ? 36 PHE D CG 1 ATOM 2556 C CD1 . PHE D 1 36 ? 0.945 10.914 12.928 1.00 48.70 ? 36 PHE D CD1 1 ATOM 2557 C CD2 . PHE D 1 36 ? 2.898 9.590 13.297 1.00 48.46 ? 36 PHE D CD2 1 ATOM 2558 C CE1 . PHE D 1 36 ? 1.641 11.689 12.009 1.00 48.48 ? 36 PHE D CE1 1 ATOM 2559 C CE2 . PHE D 1 36 ? 3.600 10.359 12.381 1.00 47.58 ? 36 PHE D CE2 1 ATOM 2560 C CZ . PHE D 1 36 ? 2.972 11.410 11.738 1.00 47.75 ? 36 PHE D CZ 1 ATOM 2561 N N . GLU D 1 37 ? 0.955 6.029 15.363 1.00 58.69 ? 37 GLU D N 1 ATOM 2562 C CA . GLU D 1 37 ? 0.911 5.074 16.468 1.00 60.53 ? 37 GLU D CA 1 ATOM 2563 C C . GLU D 1 37 ? 1.107 5.869 17.768 1.00 60.38 ? 37 GLU D C 1 ATOM 2564 O O . GLU D 1 37 ? 0.486 5.572 18.791 1.00 62.00 ? 37 GLU D O 1 ATOM 2565 C CB . GLU D 1 37 ? 2.012 4.022 16.338 1.00 63.18 ? 37 GLU D CB 1 ATOM 2566 C CG . GLU D 1 37 ? 1.718 2.949 15.297 1.00 67.01 ? 37 GLU D CG 1 ATOM 2567 C CD . GLU D 1 37 ? 0.284 2.447 15.359 1.00 70.05 ? 37 GLU D CD 1 ATOM 2568 O OE1 . GLU D 1 37 ? -0.163 2.038 16.454 1.00 70.55 ? 37 GLU D OE1 1 ATOM 2569 O OE2 . GLU D 1 37 ? -0.397 2.459 14.307 1.00 71.87 ? 37 GLU D OE2 1 ATOM 2570 N N . ASN D 1 38 ? 1.978 6.876 17.708 1.00 59.50 ? 38 ASN D N 1 ATOM 2571 C CA . ASN D 1 38 ? 2.242 7.752 18.845 1.00 57.51 ? 38 ASN D CA 1 ATOM 2572 C C . ASN D 1 38 ? 1.889 9.185 18.457 1.00 55.83 ? 38 ASN D C 1 ATOM 2573 O O . ASN D 1 38 ? 1.965 9.539 17.283 1.00 55.06 ? 38 ASN D O 1 ATOM 2574 C CB . ASN D 1 38 ? 3.736 7.706 19.212 1.00 58.95 ? 38 ASN D CB 1 ATOM 2575 C CG . ASN D 1 38 ? 4.191 6.323 19.632 1.00 59.22 ? 38 ASN D CG 1 ATOM 2576 O OD1 . ASN D 1 38 ? 3.511 5.328 19.379 1.00 59.46 ? 38 ASN D OD1 1 ATOM 2577 N ND2 . ASN D 1 38 ? 5.353 6.252 20.266 1.00 60.71 ? 38 ASN D ND2 1 ATOM 2578 N N . THR D 1 39 ? 1.475 10.002 19.427 1.00 53.82 ? 39 THR D N 1 ATOM 2579 C CA . THR D 1 39 ? 1.192 11.409 19.127 1.00 52.03 ? 39 THR D CA 1 ATOM 2580 C C . THR D 1 39 ? 2.483 12.012 18.568 1.00 50.23 ? 39 THR D C 1 ATOM 2581 O O . THR D 1 39 ? 3.535 11.985 19.214 1.00 50.57 ? 39 THR D O 1 ATOM 2582 C CB . THR D 1 39 ? 0.780 12.194 20.388 1.00 53.85 ? 39 THR D CB 1 ATOM 2583 O OG1 . THR D 1 39 ? -0.277 11.486 21.054 1.00 54.81 ? 39 THR D OG1 1 ATOM 2584 C CG2 . THR D 1 39 ? 0.289 13.597 20.005 1.00 52.26 ? 39 THR D CG2 1 ATOM 2585 N N . PRO D 1 40 ? 2.421 12.552 17.348 1.00 47.99 ? 40 PRO D N 1 ATOM 2586 C CA . PRO D 1 40 ? 3.635 13.139 16.777 1.00 46.45 ? 40 PRO D CA 1 ATOM 2587 C C . PRO D 1 40 ? 3.916 14.524 17.323 1.00 45.35 ? 40 PRO D C 1 ATOM 2588 O O . PRO D 1 40 ? 3.061 15.113 17.983 1.00 45.30 ? 40 PRO D O 1 ATOM 2589 C CB . PRO D 1 40 ? 3.292 13.233 15.283 1.00 45.64 ? 40 PRO D CB 1 ATOM 2590 C CG . PRO D 1 40 ? 1.807 13.511 15.285 1.00 46.26 ? 40 PRO D CG 1 ATOM 2591 C CD . PRO D 1 40 ? 1.252 12.713 16.453 1.00 46.58 ? 40 PRO D CD 1 ATOM 2592 N N . ASN D 1 41 ? 5.144 14.999 17.119 1.00 43.93 ? 41 ASN D N 1 ATOM 2593 C CA . ASN D 1 41 ? 5.418 16.406 17.393 1.00 42.23 ? 41 ASN D CA 1 ATOM 2594 C C . ASN D 1 41 ? 5.146 17.106 16.031 1.00 39.34 ? 41 ASN D C 1 ATOM 2595 O O . ASN D 1 41 ? 5.299 16.504 14.972 1.00 37.61 ? 41 ASN D O 1 ATOM 2596 C CB . ASN D 1 41 ? 6.875 16.650 17.782 1.00 47.23 ? 41 ASN D CB 1 ATOM 2597 C CG . ASN D 1 41 ? 7.157 16.256 19.217 1.00 51.62 ? 41 ASN D CG 1 ATOM 2598 O OD1 . ASN D 1 41 ? 6.738 16.933 20.156 1.00 56.43 ? 41 ASN D OD1 1 ATOM 2599 N ND2 . ASN D 1 41 ? 7.870 15.149 19.396 1.00 55.24 ? 41 ASN D ND2 1 ATOM 2600 N N . VAL D 1 42 ? 4.703 18.356 16.070 1.00 38.58 ? 42 VAL D N 1 ATOM 2601 C CA . VAL D 1 42 ? 4.487 19.091 14.842 1.00 37.72 ? 42 VAL D CA 1 ATOM 2602 C C . VAL D 1 42 ? 5.045 20.503 14.975 1.00 38.16 ? 42 VAL D C 1 ATOM 2603 O O . VAL D 1 42 ? 4.853 21.142 16.006 1.00 39.41 ? 42 VAL D O 1 ATOM 2604 C CB . VAL D 1 42 ? 2.968 19.231 14.491 1.00 38.20 ? 42 VAL D CB 1 ATOM 2605 C CG1 . VAL D 1 42 ? 2.802 19.778 13.070 1.00 36.42 ? 42 VAL D CG1 1 ATOM 2606 C CG2 . VAL D 1 42 ? 2.269 17.891 14.653 1.00 37.39 ? 42 VAL D CG2 1 ATOM 2607 N N . ILE D 1 43 ? 5.785 20.958 13.956 1.00 36.52 ? 43 ILE D N 1 ATOM 2608 C CA . ILE D 1 43 ? 6.269 22.338 13.925 1.00 34.76 ? 43 ILE D CA 1 ATOM 2609 C C . ILE D 1 43 ? 5.736 22.990 12.647 1.00 34.05 ? 43 ILE D C 1 ATOM 2610 O O . ILE D 1 43 ? 5.471 22.306 11.659 1.00 35.69 ? 43 ILE D O 1 ATOM 2611 C CB . ILE D 1 43 ? 7.794 22.474 13.987 1.00 35.52 ? 43 ILE D CB 1 ATOM 2612 C CG1 . ILE D 1 43 ? 8.447 21.730 12.823 1.00 35.28 ? 43 ILE D CG1 1 ATOM 2613 C CG2 . ILE D 1 43 ? 8.297 21.947 15.319 1.00 34.34 ? 43 ILE D CG2 1 ATOM 2614 C CD1 . ILE D 1 43 ? 9.971 21.808 12.830 1.00 33.48 ? 43 ILE D CD1 1 ATOM 2615 N N . VAL D 1 44 ? 5.622 24.312 12.672 1.00 32.87 ? 44 VAL D N 1 ATOM 2616 C CA . VAL D 1 44 ? 5.053 25.072 11.568 1.00 32.39 ? 44 VAL D CA 1 ATOM 2617 C C . VAL D 1 44 ? 5.858 26.329 11.272 1.00 32.76 ? 44 VAL D C 1 ATOM 2618 O O . VAL D 1 44 ? 6.336 26.990 12.190 1.00 33.94 ? 44 VAL D O 1 ATOM 2619 C CB . VAL D 1 44 ? 3.586 25.528 11.967 1.00 32.00 ? 44 VAL D CB 1 ATOM 2620 C CG1 . VAL D 1 44 ? 2.973 26.370 10.861 1.00 30.30 ? 44 VAL D CG1 1 ATOM 2621 C CG2 . VAL D 1 44 ? 2.719 24.303 12.294 1.00 30.22 ? 44 VAL D CG2 1 ATOM 2622 N N . SER D 1 45 ? 6.055 26.632 9.995 1.00 32.58 ? 45 SER D N 1 ATOM 2623 C CA . SER D 1 45 ? 6.731 27.873 9.622 1.00 34.26 ? 45 SER D CA 1 ATOM 2624 C C . SER D 1 45 ? 6.060 28.486 8.392 1.00 33.56 ? 45 SER D C 1 ATOM 2625 O O . SER D 1 45 ? 4.943 28.110 8.032 1.00 34.84 ? 45 SER D O 1 ATOM 2626 C CB . SER D 1 45 ? 8.226 27.675 9.350 1.00 34.73 ? 45 SER D CB 1 ATOM 2627 O OG . SER D 1 45 ? 8.852 28.928 9.092 1.00 37.10 ? 45 SER D OG 1 ATOM 2628 N N . PHE D 1 46 ? 6.752 29.424 7.750 1.00 32.91 ? 46 PHE D N 1 ATOM 2629 C CA . PHE D 1 46 ? 6.231 30.101 6.578 1.00 32.44 ? 46 PHE D CA 1 ATOM 2630 C C . PHE D 1 46 ? 7.049 29.825 5.328 1.00 34.44 ? 46 PHE D C 1 ATOM 2631 O O . PHE D 1 46 ? 8.262 30.023 5.314 1.00 36.01 ? 46 PHE D O 1 ATOM 2632 C CB . PHE D 1 46 ? 6.189 31.617 6.825 1.00 30.70 ? 46 PHE D CB 1 ATOM 2633 C CG . PHE D 1 46 ? 5.222 32.027 7.891 1.00 31.80 ? 46 PHE D CG 1 ATOM 2634 C CD1 . PHE D 1 46 ? 3.938 32.440 7.563 1.00 31.80 ? 46 PHE D CD1 1 ATOM 2635 C CD2 . PHE D 1 46 ? 5.588 31.973 9.227 1.00 28.83 ? 46 PHE D CD2 1 ATOM 2636 C CE1 . PHE D 1 46 ? 3.040 32.801 8.556 1.00 32.25 ? 46 PHE D CE1 1 ATOM 2637 C CE2 . PHE D 1 46 ? 4.700 32.331 10.220 1.00 30.56 ? 46 PHE D CE2 1 ATOM 2638 C CZ . PHE D 1 46 ? 3.421 32.743 9.888 1.00 30.85 ? 46 PHE D CZ 1 ATOM 2639 N N . GLY D 1 47 ? 6.370 29.330 4.297 1.00 34.11 ? 47 GLY D N 1 ATOM 2640 C CA . GLY D 1 47 ? 6.997 29.083 3.011 1.00 34.60 ? 47 GLY D CA 1 ATOM 2641 C C . GLY D 1 47 ? 6.861 30.330 2.138 1.00 36.13 ? 47 GLY D C 1 ATOM 2642 O O . GLY D 1 47 ? 7.696 30.586 1.262 1.00 33.59 ? 47 GLY D O 1 ATOM 2643 N N . MET D 1 48 ? 5.805 31.113 2.342 1.00 36.88 ? 48 MET D N 1 ATOM 2644 C CA . MET D 1 48 ? 5.665 32.345 1.564 1.00 35.82 ? 48 MET D CA 1 ATOM 2645 C C . MET D 1 48 ? 5.086 33.445 2.442 1.00 35.52 ? 48 MET D C 1 ATOM 2646 O O . MET D 1 48 ? 4.345 33.162 3.382 1.00 36.26 ? 48 MET D O 1 ATOM 2647 C CB . MET D 1 48 ? 4.818 32.111 0.304 1.00 36.52 ? 48 MET D CB 1 ATOM 2648 C CG . MET D 1 48 ? 4.574 33.350 -0.574 1.00 34.13 ? 48 MET D CG 1 ATOM 2649 S SD . MET D 1 48 ? 3.125 34.292 -0.066 1.00 38.29 ? 48 MET D SD 1 ATOM 2650 C CE . MET D 1 48 ? 1.833 33.184 -0.586 1.00 35.61 ? 48 MET D CE 1 ATOM 2651 N N . LEU D 1 49 ? 5.436 34.692 2.140 1.00 35.00 ? 49 LEU D N 1 ATOM 2652 C CA . LEU D 1 49 ? 4.981 35.826 2.940 1.00 35.70 ? 49 LEU D CA 1 ATOM 2653 C C . LEU D 1 49 ? 4.913 37.120 2.125 1.00 35.25 ? 49 LEU D C 1 ATOM 2654 O O . LEU D 1 49 ? 5.813 37.418 1.333 1.00 33.75 ? 49 LEU D O 1 ATOM 2655 C CB . LEU D 1 49 ? 5.943 36.004 4.131 1.00 35.98 ? 49 LEU D CB 1 ATOM 2656 C CG . LEU D 1 49 ? 5.385 36.504 5.465 1.00 40.37 ? 49 LEU D CG 1 ATOM 2657 C CD1 . LEU D 1 49 ? 4.033 35.874 5.753 1.00 39.61 ? 49 LEU D CD1 1 ATOM 2658 C CD2 . LEU D 1 49 ? 6.367 36.158 6.579 1.00 40.04 ? 49 LEU D CD2 1 ATOM 2659 N N . ASP D 1 50 ? 3.830 37.878 2.302 1.00 35.31 ? 50 ASP D N 1 ATOM 2660 C CA . ASP D 1 50 ? 3.646 39.170 1.604 1.00 35.23 ? 50 ASP D CA 1 ATOM 2661 C C . ASP D 1 50 ? 3.094 40.140 2.644 1.00 36.15 ? 50 ASP D C 1 ATOM 2662 O O . ASP D 1 50 ? 1.888 40.206 2.875 1.00 36.48 ? 50 ASP D O 1 ATOM 2663 C CB . ASP D 1 50 ? 2.681 39.005 0.427 1.00 37.20 ? 50 ASP D CB 1 ATOM 2664 C CG . ASP D 1 50 ? 2.510 40.294 -0.383 1.00 38.93 ? 50 ASP D CG 1 ATOM 2665 O OD1 . ASP D 1 50 ? 1.862 40.226 -1.443 1.00 39.61 ? 50 ASP D OD1 1 ATOM 2666 O OD2 . ASP D 1 50 ? 3.008 41.371 0.023 1.00 41.01 ? 50 ASP D OD2 1 ATOM 2667 N N . VAL D 1 51 ? 3.991 40.923 3.243 1.00 37.13 ? 51 VAL D N 1 ATOM 2668 C CA . VAL D 1 51 ? 3.623 41.802 4.364 1.00 35.96 ? 51 VAL D CA 1 ATOM 2669 C C . VAL D 1 51 ? 3.848 43.273 4.098 1.00 36.92 ? 51 VAL D C 1 ATOM 2670 O O . VAL D 1 51 ? 4.895 43.671 3.589 1.00 37.32 ? 51 VAL D O 1 ATOM 2671 C CB . VAL D 1 51 ? 4.439 41.375 5.634 1.00 35.05 ? 51 VAL D CB 1 ATOM 2672 C CG1 . VAL D 1 51 ? 4.088 42.274 6.815 1.00 34.38 ? 51 VAL D CG1 1 ATOM 2673 C CG2 . VAL D 1 51 ? 4.183 39.905 5.964 1.00 31.96 ? 51 VAL D CG2 1 ATOM 2674 N N . ASP D 1 52 ? 2.867 44.092 4.463 1.00 36.55 ? 52 ASP D N 1 ATOM 2675 C CA . ASP D 1 52 ? 2.946 45.527 4.208 1.00 37.82 ? 52 ASP D CA 1 ATOM 2676 C C . ASP D 1 52 ? 3.954 46.228 5.105 1.00 38.69 ? 52 ASP D C 1 ATOM 2677 O O . ASP D 1 52 ? 4.000 45.977 6.313 1.00 39.54 ? 52 ASP D O 1 ATOM 2678 C CB . ASP D 1 52 ? 1.558 46.155 4.361 1.00 38.57 ? 52 ASP D CB 1 ATOM 2679 C CG . ASP D 1 52 ? 1.385 47.396 3.513 1.00 39.29 ? 52 ASP D CG 1 ATOM 2680 O OD1 . ASP D 1 52 ? 1.733 48.491 3.999 1.00 38.18 ? 52 ASP D OD1 1 ATOM 2681 O OD2 . ASP D 1 52 ? 0.913 47.274 2.359 1.00 41.30 ? 52 ASP D OD2 1 ATOM 2682 N N . ASN D 1 53 ? 4.758 47.113 4.517 1.00 38.59 ? 53 ASN D N 1 ATOM 2683 C CA . ASN D 1 53 ? 5.793 47.827 5.267 1.00 39.92 ? 53 ASN D CA 1 ATOM 2684 C C . ASN D 1 53 ? 5.286 49.074 5.985 1.00 40.57 ? 53 ASN D C 1 ATOM 2685 O O . ASN D 1 53 ? 6.057 49.760 6.661 1.00 39.41 ? 53 ASN D O 1 ATOM 2686 C CB . ASN D 1 53 ? 6.944 48.230 4.325 1.00 37.51 ? 53 ASN D CB 1 ATOM 2687 C CG . ASN D 1 53 ? 6.553 49.339 3.359 1.00 39.44 ? 53 ASN D CG 1 ATOM 2688 O OD1 . ASN D 1 53 ? 5.366 49.615 3.148 1.00 39.16 ? 53 ASN D OD1 1 ATOM 2689 N ND2 . ASN D 1 53 ? 7.553 49.971 2.753 1.00 37.48 ? 53 ASN D ND2 1 ATOM 2690 N N . SER D 1 54 ? 3.993 49.366 5.861 1.00 41.09 ? 54 SER D N 1 ATOM 2691 C CA . SER D 1 54 ? 3.452 50.568 6.495 1.00 41.99 ? 54 SER D CA 1 ATOM 2692 C C . SER D 1 54 ? 3.324 50.363 7.995 1.00 41.75 ? 54 SER D C 1 ATOM 2693 O O . SER D 1 54 ? 3.180 51.316 8.753 1.00 41.23 ? 54 SER D O 1 ATOM 2694 C CB . SER D 1 54 ? 2.108 50.959 5.878 1.00 44.20 ? 54 SER D CB 1 ATOM 2695 O OG . SER D 1 54 ? 1.076 50.095 6.316 1.00 49.17 ? 54 SER D OG 1 ATOM 2696 N N . ASN D 1 55 ? 3.377 49.108 8.420 1.00 41.86 ? 55 ASN D N 1 ATOM 2697 C CA . ASN D 1 55 ? 3.343 48.788 9.844 1.00 41.55 ? 55 ASN D CA 1 ATOM 2698 C C . ASN D 1 55 ? 4.327 47.654 10.115 1.00 39.75 ? 55 ASN D C 1 ATOM 2699 O O . ASN D 1 55 ? 4.904 47.099 9.179 1.00 39.79 ? 55 ASN D O 1 ATOM 2700 C CB . ASN D 1 55 ? 1.928 48.423 10.290 1.00 43.38 ? 55 ASN D CB 1 ATOM 2701 C CG . ASN D 1 55 ? 0.975 49.606 10.190 1.00 46.39 ? 55 ASN D CG 1 ATOM 2702 O OD1 . ASN D 1 55 ? 0.935 50.464 11.069 1.00 48.73 ? 55 ASN D OD1 1 ATOM 2703 N ND2 . ASN D 1 55 ? 0.217 49.665 9.100 1.00 48.26 ? 55 ASN D ND2 1 ATOM 2704 N N . ASN D 1 56 ? 4.537 47.327 11.385 1.00 38.30 ? 56 ASN D N 1 ATOM 2705 C CA . ASN D 1 56 ? 5.477 46.279 11.736 1.00 37.75 ? 56 ASN D CA 1 ATOM 2706 C C . ASN D 1 56 ? 5.070 44.920 11.205 1.00 37.72 ? 56 ASN D C 1 ATOM 2707 O O . ASN D 1 56 ? 3.889 44.656 10.964 1.00 38.40 ? 56 ASN D O 1 ATOM 2708 C CB . ASN D 1 56 ? 5.640 46.189 13.263 1.00 37.74 ? 56 ASN D CB 1 ATOM 2709 C CG . ASN D 1 56 ? 6.425 47.349 13.829 1.00 37.40 ? 56 ASN D CG 1 ATOM 2710 O OD1 . ASN D 1 56 ? 7.024 48.119 13.082 1.00 39.67 ? 56 ASN D OD1 1 ATOM 2711 N ND2 . ASN D 1 56 ? 6.441 47.476 15.148 1.00 35.59 ? 56 ASN D ND2 1 ATOM 2712 N N . LEU D 1 57 ? 6.063 44.065 10.989 1.00 36.04 ? 57 LEU D N 1 ATOM 2713 C CA . LEU D 1 57 ? 5.782 42.713 10.556 1.00 35.12 ? 57 LEU D CA 1 ATOM 2714 C C . LEU D 1 57 ? 5.492 41.862 11.787 1.00 35.00 ? 57 LEU D C 1 ATOM 2715 O O . LEU D 1 57 ? 6.365 41.653 12.625 1.00 33.65 ? 57 LEU D O 1 ATOM 2716 C CB . LEU D 1 57 ? 6.978 42.118 9.795 1.00 32.18 ? 57 LEU D CB 1 ATOM 2717 C CG . LEU D 1 57 ? 6.806 40.684 9.269 1.00 33.98 ? 57 LEU D CG 1 ATOM 2718 C CD1 . LEU D 1 57 ? 7.527 40.539 7.932 1.00 33.51 ? 57 LEU D CD1 1 ATOM 2719 C CD2 . LEU D 1 57 ? 7.345 39.671 10.273 1.00 30.70 ? 57 LEU D CD2 1 ATOM 2720 N N . ARG D 1 58 ? 4.246 41.408 11.907 1.00 36.53 ? 58 ARG D N 1 ATOM 2721 C CA . ARG D 1 58 ? 3.866 40.537 13.016 1.00 36.95 ? 58 ARG D CA 1 ATOM 2722 C C . ARG D 1 58 ? 3.138 39.289 12.505 1.00 37.32 ? 58 ARG D C 1 ATOM 2723 O O . ARG D 1 58 ? 1.964 39.358 12.122 1.00 37.60 ? 58 ARG D O 1 ATOM 2724 C CB . ARG D 1 58 ? 2.961 41.266 14.023 1.00 37.57 ? 58 ARG D CB 1 ATOM 2725 C CG . ARG D 1 58 ? 3.526 42.567 14.585 1.00 36.99 ? 58 ARG D CG 1 ATOM 2726 C CD . ARG D 1 58 ? 2.490 43.292 15.445 1.00 38.81 ? 58 ARG D CD 1 ATOM 2727 N NE . ARG D 1 58 ? 2.954 44.608 15.897 1.00 40.64 ? 58 ARG D NE 1 ATOM 2728 C CZ . ARG D 1 58 ? 2.673 45.762 15.296 1.00 39.97 ? 58 ARG D CZ 1 ATOM 2729 N NH1 . ARG D 1 58 ? 1.920 45.783 14.204 1.00 39.86 ? 58 ARG D NH1 1 ATOM 2730 N NH2 . ARG D 1 58 ? 3.149 46.901 15.790 1.00 41.26 ? 58 ARG D NH2 1 ATOM 2731 N N . VAL D 1 59 ? 3.836 38.154 12.488 1.00 35.47 ? 59 VAL D N 1 ATOM 2732 C CA . VAL D 1 59 ? 3.222 36.901 12.056 1.00 36.01 ? 59 VAL D CA 1 ATOM 2733 C C . VAL D 1 59 ? 3.459 35.802 13.090 1.00 37.43 ? 59 VAL D C 1 ATOM 2734 O O . VAL D 1 59 ? 4.484 35.781 13.780 1.00 38.43 ? 59 VAL D O 1 ATOM 2735 C CB . VAL D 1 59 ? 3.733 36.424 10.657 1.00 35.40 ? 59 VAL D CB 1 ATOM 2736 C CG1 . VAL D 1 59 ? 3.358 37.443 9.582 1.00 32.79 ? 59 VAL D CG1 1 ATOM 2737 C CG2 . VAL D 1 59 ? 5.236 36.199 10.686 1.00 33.74 ? 59 VAL D CG2 1 ATOM 2738 N N . ASN D 1 60 ? 2.499 34.888 13.189 1.00 38.53 ? 60 ASN D N 1 ATOM 2739 C CA . ASN D 1 60 ? 2.558 33.790 14.145 1.00 38.40 ? 60 ASN D CA 1 ATOM 2740 C C . ASN D 1 60 ? 1.931 32.524 13.583 1.00 38.17 ? 60 ASN D C 1 ATOM 2741 O O . ASN D 1 60 ? 0.941 32.572 12.852 1.00 38.45 ? 60 ASN D O 1 ATOM 2742 C CB . ASN D 1 60 ? 1.808 34.183 15.435 1.00 40.96 ? 60 ASN D CB 1 ATOM 2743 C CG . ASN D 1 60 ? 1.977 33.161 16.544 1.00 42.42 ? 60 ASN D CG 1 ATOM 2744 O OD1 . ASN D 1 60 ? 3.027 32.557 16.706 1.00 44.84 ? 60 ASN D OD1 1 ATOM 2745 N ND2 . ASN D 1 60 ? 0.856 33.024 17.248 1.00 45.26 ? 60 ASN D ND2 1 ATOM 2746 N N . SER D 1 61 ? 2.516 31.386 13.924 1.00 37.64 ? 61 SER D N 1 ATOM 2747 C CA . SER D 1 61 ? 1.968 30.122 13.482 1.00 38.01 ? 61 SER D CA 1 ATOM 2748 C C . SER D 1 61 ? 2.191 29.043 14.542 1.00 38.29 ? 61 SER D C 1 ATOM 2749 O O . SER D 1 61 ? 3.105 29.147 15.361 1.00 38.47 ? 61 SER D O 1 ATOM 2750 C CB . SER D 1 61 ? 2.626 29.685 12.161 1.00 37.80 ? 61 SER D CB 1 ATOM 2751 O OG . SER D 1 61 ? 3.992 29.372 12.351 1.00 34.80 ? 61 SER D OG 1 ATOM 2752 N N . SER D 1 62 ? 1.332 28.031 14.561 1.00 39.05 ? 62 SER D N 1 ATOM 2753 C CA . SER D 1 62 ? 1.524 26.914 15.483 1.00 40.49 ? 62 SER D CA 1 ATOM 2754 C C . SER D 1 62 ? 0.677 25.712 15.107 1.00 39.13 ? 62 SER D C 1 ATOM 2755 O O . SER D 1 62 ? -0.201 25.806 14.252 1.00 38.56 ? 62 SER D O 1 ATOM 2756 C CB . SER D 1 62 ? 1.178 27.306 16.928 1.00 41.77 ? 62 SER D CB 1 ATOM 2757 O OG . SER D 1 62 ? -0.111 27.883 16.998 1.00 47.07 ? 62 SER D OG 1 ATOM 2758 N N . ALA D 1 63 ? 0.982 24.576 15.734 1.00 39.79 ? 63 ALA D N 1 ATOM 2759 C CA . ALA D 1 63 ? 0.198 23.355 15.559 1.00 41.28 ? 63 ALA D CA 1 ATOM 2760 C C . ALA D 1 63 ? -0.554 23.132 16.875 1.00 42.60 ? 63 ALA D C 1 ATOM 2761 O O . ALA D 1 63 ? 0.048 22.810 17.899 1.00 43.05 ? 63 ALA D O 1 ATOM 2762 C CB . ALA D 1 63 ? 1.080 22.177 15.257 1.00 41.21 ? 63 ALA D CB 1 ATOM 2763 N N . ASP D 1 64 ? -1.871 23.305 16.838 1.00 44.65 ? 64 ASP D N 1 ATOM 2764 C CA . ASP D 1 64 ? -2.674 23.167 18.049 1.00 46.31 ? 64 ASP D CA 1 ATOM 2765 C C . ASP D 1 64 ? -3.443 21.853 18.064 1.00 46.41 ? 64 ASP D C 1 ATOM 2766 O O . ASP D 1 64 ? -3.560 21.200 17.033 1.00 46.09 ? 64 ASP D O 1 ATOM 2767 C CB . ASP D 1 64 ? -3.668 24.350 18.132 1.00 46.66 ? 64 ASP D CB 1 ATOM 2768 C CG . ASP D 1 64 ? -2.974 25.705 18.152 1.00 47.57 ? 64 ASP D CG 1 ATOM 2769 O OD1 . ASP D 1 64 ? -1.840 25.793 18.675 1.00 45.79 ? 64 ASP D OD1 1 ATOM 2770 O OD2 . ASP D 1 64 ? -3.575 26.689 17.660 1.00 48.27 ? 64 ASP D OD2 1 ATOM 2771 N N . ASP D 1 65 ? -3.926 21.449 19.239 1.00 47.85 ? 65 ASP D N 1 ATOM 2772 C CA . ASP D 1 65 ? -4.751 20.235 19.376 1.00 49.67 ? 65 ASP D CA 1 ATOM 2773 C C . ASP D 1 65 ? -4.163 19.031 18.662 1.00 48.68 ? 65 ASP D C 1 ATOM 2774 O O . ASP D 1 65 ? -4.867 18.332 17.926 1.00 48.06 ? 65 ASP D O 1 ATOM 2775 C CB . ASP D 1 65 ? -6.152 20.514 18.789 1.00 52.53 ? 65 ASP D CB 1 ATOM 2776 C CG . ASP D 1 65 ? -6.771 21.790 19.332 1.00 56.92 ? 65 ASP D CG 1 ATOM 2777 O OD1 . ASP D 1 65 ? -6.674 22.024 20.559 1.00 56.64 ? 65 ASP D OD1 1 ATOM 2778 O OD2 . ASP D 1 65 ? -7.362 22.553 18.531 1.00 59.98 ? 65 ASP D OD2 1 ATOM 2779 N N . VAL D 1 66 ? -2.881 18.776 18.887 1.00 47.88 ? 66 VAL D N 1 ATOM 2780 C CA . VAL D 1 66 ? -2.227 17.684 18.199 1.00 47.07 ? 66 VAL D CA 1 ATOM 2781 C C . VAL D 1 66 ? -2.580 16.331 18.773 1.00 47.33 ? 66 VAL D C 1 ATOM 2782 O O . VAL D 1 66 ? -2.393 16.094 19.965 1.00 48.30 ? 66 VAL D O 1 ATOM 2783 C CB . VAL D 1 66 ? -0.668 17.844 18.239 1.00 46.37 ? 66 VAL D CB 1 ATOM 2784 C CG1 . VAL D 1 66 ? -0.004 16.662 17.552 1.00 44.36 ? 66 VAL D CG1 1 ATOM 2785 C CG2 . VAL D 1 66 ? -0.252 19.146 17.568 1.00 43.42 ? 66 VAL D CG2 1 ATOM 2786 N N . THR D 1 67 ? -3.130 15.461 17.927 1.00 48.05 ? 67 THR D N 1 ATOM 2787 C CA . THR D 1 67 ? -3.434 14.086 18.323 1.00 47.72 ? 67 THR D CA 1 ATOM 2788 C C . THR D 1 67 ? -2.882 13.148 17.241 1.00 47.95 ? 67 THR D C 1 ATOM 2789 O O . THR D 1 67 ? -2.366 13.605 16.216 1.00 46.66 ? 67 THR D O 1 ATOM 2790 C CB . THR D 1 67 ? -4.960 13.815 18.459 1.00 47.37 ? 67 THR D CB 1 ATOM 2791 O OG1 . THR D 1 67 ? -5.573 13.782 17.167 1.00 48.42 ? 67 THR D OG1 1 ATOM 2792 C CG2 . THR D 1 67 ? -5.615 14.895 19.301 1.00 49.01 ? 67 THR D CG2 1 ATOM 2793 N N . VAL D 1 68 ? -2.981 11.842 17.485 1.00 47.31 ? 68 VAL D N 1 ATOM 2794 C CA . VAL D 1 68 ? -2.535 10.849 16.513 1.00 46.33 ? 68 VAL D CA 1 ATOM 2795 C C . VAL D 1 68 ? -3.366 10.940 15.228 1.00 46.05 ? 68 VAL D C 1 ATOM 2796 O O . VAL D 1 68 ? -2.938 10.478 14.172 1.00 45.57 ? 68 VAL D O 1 ATOM 2797 C CB . VAL D 1 68 ? -2.679 9.395 17.068 1.00 47.34 ? 68 VAL D CB 1 ATOM 2798 C CG1 . VAL D 1 68 ? -1.511 9.069 17.991 1.00 45.91 ? 68 VAL D CG1 1 ATOM 2799 C CG2 . VAL D 1 68 ? -4.007 9.235 17.797 1.00 44.68 ? 68 VAL D CG2 1 ATOM 2800 N N . GLY D 1 69 ? -4.544 11.557 15.330 1.00 46.83 ? 69 GLY D N 1 ATOM 2801 C CA . GLY D 1 69 ? -5.433 11.680 14.185 1.00 45.88 ? 69 GLY D CA 1 ATOM 2802 C C . GLY D 1 69 ? -5.241 12.933 13.349 1.00 46.38 ? 69 GLY D C 1 ATOM 2803 O O . GLY D 1 69 ? -5.627 12.973 12.180 1.00 46.74 ? 69 GLY D O 1 ATOM 2804 N N . GLY D 1 70 ? -4.632 13.958 13.939 1.00 44.94 ? 70 GLY D N 1 ATOM 2805 C CA . GLY D 1 70 ? -4.423 15.200 13.214 1.00 43.75 ? 70 GLY D CA 1 ATOM 2806 C C . GLY D 1 70 ? -4.190 16.395 14.122 1.00 42.78 ? 70 GLY D C 1 ATOM 2807 O O . GLY D 1 70 ? -3.913 16.227 15.311 1.00 43.06 ? 70 GLY D O 1 ATOM 2808 N N . PHE D 1 71 ? -4.306 17.603 13.574 1.00 41.75 ? 71 PHE D N 1 ATOM 2809 C CA . PHE D 1 71 ? -4.088 18.809 14.373 1.00 40.83 ? 71 PHE D CA 1 ATOM 2810 C C . PHE D 1 71 ? -4.679 20.045 13.709 1.00 40.44 ? 71 PHE D C 1 ATOM 2811 O O . PHE D 1 71 ? -5.150 19.977 12.576 1.00 41.34 ? 71 PHE D O 1 ATOM 2812 C CB . PHE D 1 71 ? -2.573 19.023 14.593 1.00 40.53 ? 71 PHE D CB 1 ATOM 2813 C CG . PHE D 1 71 ? -1.847 19.559 13.390 1.00 37.38 ? 71 PHE D CG 1 ATOM 2814 C CD1 . PHE D 1 71 ? -1.548 20.914 13.290 1.00 37.84 ? 71 PHE D CD1 1 ATOM 2815 C CD2 . PHE D 1 71 ? -1.471 18.712 12.361 1.00 36.08 ? 71 PHE D CD2 1 ATOM 2816 C CE1 . PHE D 1 71 ? -0.883 21.415 12.178 1.00 36.57 ? 71 PHE D CE1 1 ATOM 2817 C CE2 . PHE D 1 71 ? -0.807 19.202 11.247 1.00 38.08 ? 71 PHE D CE2 1 ATOM 2818 C CZ . PHE D 1 71 ? -0.508 20.556 11.156 1.00 36.24 ? 71 PHE D CZ 1 ATOM 2819 N N . THR D 1 72 ? -4.669 21.166 14.426 1.00 41.88 ? 72 THR D N 1 ATOM 2820 C CA . THR D 1 72 ? -5.168 22.422 13.882 1.00 42.50 ? 72 THR D CA 1 ATOM 2821 C C . THR D 1 72 ? -4.002 23.337 13.491 1.00 41.03 ? 72 THR D C 1 ATOM 2822 O O . THR D 1 72 ? -3.241 23.812 14.342 1.00 40.04 ? 72 THR D O 1 ATOM 2823 C CB . THR D 1 72 ? -6.078 23.177 14.899 1.00 43.86 ? 72 THR D CB 1 ATOM 2824 O OG1 . THR D 1 72 ? -7.206 22.356 15.218 1.00 46.29 ? 72 THR D OG1 1 ATOM 2825 C CG2 . THR D 1 72 ? -6.573 24.493 14.309 1.00 41.89 ? 72 THR D CG2 1 ATOM 2826 N N . LEU D 1 73 ? -3.858 23.534 12.184 1.00 40.29 ? 73 LEU D N 1 ATOM 2827 C CA . LEU D 1 73 ? -2.839 24.426 11.631 1.00 40.08 ? 73 LEU D CA 1 ATOM 2828 C C . LEU D 1 73 ? -3.302 25.868 11.901 1.00 41.20 ? 73 LEU D C 1 ATOM 2829 O O . LEU D 1 73 ? -4.278 26.349 11.314 1.00 41.80 ? 73 LEU D O 1 ATOM 2830 C CB . LEU D 1 73 ? -2.679 24.168 10.125 1.00 37.65 ? 73 LEU D CB 1 ATOM 2831 C CG . LEU D 1 73 ? -1.608 24.978 9.375 1.00 37.18 ? 73 LEU D CG 1 ATOM 2832 C CD1 . LEU D 1 73 ? -0.233 24.689 9.966 1.00 34.68 ? 73 LEU D CD1 1 ATOM 2833 C CD2 . LEU D 1 73 ? -1.645 24.667 7.878 1.00 33.22 ? 73 LEU D CD2 1 ATOM 2834 N N . HIS D 1 74 ? -2.597 26.541 12.806 1.00 40.62 ? 74 HIS D N 1 ATOM 2835 C CA . HIS D 1 74 ? -2.946 27.893 13.204 1.00 41.47 ? 74 HIS D CA 1 ATOM 2836 C C . HIS D 1 74 ? -2.019 28.990 12.708 1.00 42.11 ? 74 HIS D C 1 ATOM 2837 O O . HIS D 1 74 ? -0.790 28.832 12.675 1.00 40.59 ? 74 HIS D O 1 ATOM 2838 C CB . HIS D 1 74 ? -2.989 27.987 14.745 1.00 42.46 ? 74 HIS D CB 1 ATOM 2839 C CG . HIS D 1 74 ? -3.142 29.387 15.263 1.00 44.11 ? 74 HIS D CG 1 ATOM 2840 N ND1 . HIS D 1 74 ? -4.307 30.112 15.117 1.00 44.84 ? 74 HIS D ND1 1 ATOM 2841 C CD2 . HIS D 1 74 ? -2.273 30.198 15.912 1.00 44.47 ? 74 HIS D CD2 1 ATOM 2842 C CE1 . HIS D 1 74 ? -4.147 31.310 15.651 1.00 44.33 ? 74 HIS D CE1 1 ATOM 2843 N NE2 . HIS D 1 74 ? -2.921 31.388 16.139 1.00 45.23 ? 74 HIS D NE2 1 ATOM 2844 N N . TYR D 1 75 ? -2.637 30.092 12.305 1.00 42.30 ? 75 TYR D N 1 ATOM 2845 C CA . TYR D 1 75 ? -1.921 31.290 11.923 1.00 43.43 ? 75 TYR D CA 1 ATOM 2846 C C . TYR D 1 75 ? -2.620 32.518 12.519 1.00 44.19 ? 75 TYR D C 1 ATOM 2847 O O . TYR D 1 75 ? -3.833 32.506 12.733 1.00 45.91 ? 75 TYR D O 1 ATOM 2848 C CB . TYR D 1 75 ? -1.914 31.488 10.392 1.00 42.60 ? 75 TYR D CB 1 ATOM 2849 C CG . TYR D 1 75 ? -1.699 32.925 9.954 1.00 43.41 ? 75 TYR D CG 1 ATOM 2850 C CD1 . TYR D 1 75 ? -0.415 33.438 9.784 1.00 43.65 ? 75 TYR D CD1 1 ATOM 2851 C CD2 . TYR D 1 75 ? -2.784 33.776 9.723 1.00 42.21 ? 75 TYR D CD2 1 ATOM 2852 C CE1 . TYR D 1 75 ? -0.217 34.758 9.394 1.00 43.10 ? 75 TYR D CE1 1 ATOM 2853 C CE2 . TYR D 1 75 ? -2.595 35.093 9.337 1.00 42.52 ? 75 TYR D CE2 1 ATOM 2854 C CZ . TYR D 1 75 ? -1.307 35.578 9.172 1.00 44.11 ? 75 TYR D CZ 1 ATOM 2855 O OH . TYR D 1 75 ? -1.110 36.883 8.783 1.00 43.34 ? 75 TYR D OH 1 ATOM 2856 N N . ASN D 1 76 ? -1.833 33.540 12.838 1.00 43.88 ? 76 ASN D N 1 ATOM 2857 C CA . ASN D 1 76 ? -2.405 34.828 13.184 1.00 41.21 ? 76 ASN D CA 1 ATOM 2858 C C . ASN D 1 76 ? -1.389 35.968 13.128 1.00 41.83 ? 76 ASN D C 1 ATOM 2859 O O . ASN D 1 76 ? -0.202 35.755 13.380 1.00 41.06 ? 76 ASN D O 1 ATOM 2860 C CB . ASN D 1 76 ? -3.062 34.862 14.577 1.00 38.53 ? 76 ASN D CB 1 ATOM 2861 C CG . ASN D 1 76 ? -2.052 34.903 15.719 1.00 36.38 ? 76 ASN D CG 1 ATOM 2862 O OD1 . ASN D 1 76 ? -1.615 33.864 16.213 1.00 39.20 ? 76 ASN D OD1 1 ATOM 2863 N ND2 . ASN D 1 76 ? -1.686 36.104 16.148 1.00 33.88 ? 76 ASN D ND2 1 ATOM 2864 N N . SER D 1 77 ? -1.857 37.151 12.733 1.00 41.94 ? 77 SER D N 1 ATOM 2865 C CA . SER D 1 77 ? -1.032 38.350 12.877 1.00 42.95 ? 77 SER D CA 1 ATOM 2866 C C . SER D 1 77 ? -1.668 39.038 14.112 1.00 44.15 ? 77 SER D C 1 ATOM 2867 O O . SER D 1 77 ? -2.486 38.434 14.809 1.00 45.31 ? 77 SER D O 1 ATOM 2868 C CB . SER D 1 77 ? -1.142 39.287 11.676 1.00 42.54 ? 77 SER D CB 1 ATOM 2869 O OG . SER D 1 77 ? -2.458 39.359 11.171 1.00 47.47 ? 77 SER D OG 1 ATOM 2870 N N . TRP D 1 78 ? -1.254 40.265 14.411 1.00 44.40 ? 78 TRP D N 1 ATOM 2871 C CA . TRP D 1 78 ? -1.880 41.016 15.493 1.00 44.24 ? 78 TRP D CA 1 ATOM 2872 C C . TRP D 1 78 ? -1.626 42.517 15.358 1.00 45.94 ? 78 TRP D C 1 ATOM 2873 O O . TRP D 1 78 ? -0.802 42.950 14.543 1.00 45.73 ? 78 TRP D O 1 ATOM 2874 C CB . TRP D 1 78 ? -1.468 40.497 16.873 1.00 41.46 ? 78 TRP D CB 1 ATOM 2875 C CG . TRP D 1 78 ? -0.026 40.655 17.247 1.00 41.73 ? 78 TRP D CG 1 ATOM 2876 C CD1 . TRP D 1 78 ? 0.522 41.650 18.007 1.00 41.74 ? 78 TRP D CD1 1 ATOM 2877 C CD2 . TRP D 1 78 ? 1.057 39.783 16.890 1.00 40.40 ? 78 TRP D CD2 1 ATOM 2878 N NE1 . TRP D 1 78 ? 1.872 41.446 18.153 1.00 41.53 ? 78 TRP D NE1 1 ATOM 2879 C CE2 . TRP D 1 78 ? 2.228 40.310 17.474 1.00 40.58 ? 78 TRP D CE2 1 ATOM 2880 C CE3 . TRP D 1 78 ? 1.149 38.607 16.135 1.00 40.29 ? 78 TRP D CE3 1 ATOM 2881 C CZ2 . TRP D 1 78 ? 3.477 39.705 17.326 1.00 40.47 ? 78 TRP D CZ2 1 ATOM 2882 C CZ3 . TRP D 1 78 ? 2.387 38.004 15.989 1.00 41.05 ? 78 TRP D CZ3 1 ATOM 2883 C CH2 . TRP D 1 78 ? 3.538 38.557 16.582 1.00 40.31 ? 78 TRP D CH2 1 ATOM 2884 N N . TYR D 1 79 ? -2.352 43.301 16.151 1.00 46.69 ? 79 TYR D N 1 ATOM 2885 C CA . TYR D 1 79 ? -2.251 44.747 16.147 1.00 45.64 ? 79 TYR D CA 1 ATOM 2886 C C . TYR D 1 79 ? -2.485 45.362 14.768 1.00 44.85 ? 79 TYR D C 1 ATOM 2887 O O . TYR D 1 79 ? -3.463 45.025 14.098 1.00 44.13 ? 79 TYR D O 1 ATOM 2888 C CB . TYR D 1 79 ? -0.908 45.209 16.732 1.00 48.86 ? 79 TYR D CB 1 ATOM 2889 C CG . TYR D 1 79 ? -0.935 46.614 17.297 1.00 53.55 ? 79 TYR D CG 1 ATOM 2890 C CD1 . TYR D 1 79 ? -1.895 46.985 18.240 1.00 55.09 ? 79 TYR D CD1 1 ATOM 2891 C CD2 . TYR D 1 79 ? -0.008 47.571 16.895 1.00 54.64 ? 79 TYR D CD2 1 ATOM 2892 C CE1 . TYR D 1 79 ? -1.929 48.266 18.763 1.00 56.56 ? 79 TYR D CE1 1 ATOM 2893 C CE2 . TYR D 1 79 ? -0.035 48.858 17.415 1.00 55.80 ? 79 TYR D CE2 1 ATOM 2894 C CZ . TYR D 1 79 ? -0.997 49.196 18.350 1.00 56.34 ? 79 TYR D CZ 1 ATOM 2895 O OH . TYR D 1 79 ? -1.034 50.467 18.868 1.00 56.97 ? 79 TYR D OH 1 ATOM 2896 N N . THR D 1 80 ? -1.571 46.219 14.325 1.00 44.34 ? 80 THR D N 1 ATOM 2897 C CA . THR D 1 80 ? -1.751 46.956 13.074 1.00 43.64 ? 80 THR D CA 1 ATOM 2898 C C . THR D 1 80 ? -1.146 46.341 11.835 1.00 43.15 ? 80 THR D C 1 ATOM 2899 O O . THR D 1 80 ? -1.110 46.966 10.775 1.00 42.88 ? 80 THR D O 1 ATOM 2900 C CB . THR D 1 80 ? -1.156 48.394 13.212 1.00 44.79 ? 80 THR D CB 1 ATOM 2901 O OG1 . THR D 1 80 ? 0.213 48.301 13.643 1.00 42.83 ? 80 THR D OG1 1 ATOM 2902 C CG2 . THR D 1 80 ? -1.950 49.231 14.214 1.00 43.61 ? 80 THR D CG2 1 ATOM 2903 N N . THR D 1 81 ? -0.674 45.110 11.954 1.00 42.93 ? 81 THR D N 1 ATOM 2904 C CA . THR D 1 81 ? -0.035 44.460 10.822 1.00 41.18 ? 81 THR D CA 1 ATOM 2905 C C . THR D 1 81 ? -0.973 44.116 9.674 1.00 41.03 ? 81 THR D C 1 ATOM 2906 O O . THR D 1 81 ? -2.102 43.676 9.890 1.00 39.51 ? 81 THR D O 1 ATOM 2907 C CB . THR D 1 81 ? 0.692 43.165 11.278 1.00 39.78 ? 81 THR D CB 1 ATOM 2908 O OG1 . THR D 1 81 ? 1.820 43.519 12.088 1.00 39.39 ? 81 THR D OG1 1 ATOM 2909 C CG2 . THR D 1 81 ? 1.172 42.355 10.078 1.00 38.61 ? 81 THR D CG2 1 ATOM 2910 N N . THR D 1 82 ? -0.506 44.351 8.451 1.00 40.05 ? 82 THR D N 1 ATOM 2911 C CA . THR D 1 82 ? -1.268 43.990 7.272 1.00 40.02 ? 82 THR D CA 1 ATOM 2912 C C . THR D 1 82 ? -0.509 42.928 6.464 1.00 40.02 ? 82 THR D C 1 ATOM 2913 O O . THR D 1 82 ? 0.616 43.154 6.008 1.00 41.41 ? 82 THR D O 1 ATOM 2914 C CB . THR D 1 82 ? -1.541 45.207 6.362 1.00 41.34 ? 82 THR D CB 1 ATOM 2915 O OG1 . THR D 1 82 ? -2.283 46.182 7.105 1.00 44.27 ? 82 THR D OG1 1 ATOM 2916 C CG2 . THR D 1 82 ? -2.343 44.799 5.132 1.00 40.65 ? 82 THR D CG2 1 ATOM 2917 N N . VAL D 1 83 ? -1.123 41.760 6.317 1.00 38.62 ? 83 VAL D N 1 ATOM 2918 C CA . VAL D 1 83 ? -0.538 40.682 5.528 1.00 37.60 ? 83 VAL D CA 1 ATOM 2919 C C . VAL D 1 83 ? -1.406 40.501 4.278 1.00 39.03 ? 83 VAL D C 1 ATOM 2920 O O . VAL D 1 83 ? -2.631 40.456 4.373 1.00 37.74 ? 83 VAL D O 1 ATOM 2921 C CB . VAL D 1 83 ? -0.467 39.378 6.337 1.00 35.48 ? 83 VAL D CB 1 ATOM 2922 C CG1 . VAL D 1 83 ? 0.232 38.293 5.528 1.00 32.74 ? 83 VAL D CG1 1 ATOM 2923 C CG2 . VAL D 1 83 ? 0.267 39.642 7.649 1.00 34.72 ? 83 VAL D CG2 1 ATOM 2924 N N . TRP D 1 84 ? -0.770 40.405 3.110 1.00 39.98 ? 84 TRP D N 1 ATOM 2925 C CA . TRP D 1 84 ? -1.502 40.280 1.850 1.00 41.84 ? 84 TRP D CA 1 ATOM 2926 C C . TRP D 1 84 ? -1.585 38.852 1.335 1.00 43.07 ? 84 TRP D C 1 ATOM 2927 O O . TRP D 1 84 ? -2.575 38.475 0.699 1.00 41.79 ? 84 TRP D O 1 ATOM 2928 C CB . TRP D 1 84 ? -0.879 41.190 0.785 1.00 42.65 ? 84 TRP D CB 1 ATOM 2929 C CG . TRP D 1 84 ? -0.992 42.655 1.102 1.00 44.54 ? 84 TRP D CG 1 ATOM 2930 C CD1 . TRP D 1 84 ? 0.013 43.490 1.503 1.00 45.10 ? 84 TRP D CD1 1 ATOM 2931 C CD2 . TRP D 1 84 ? -2.178 43.454 1.055 1.00 46.07 ? 84 TRP D CD2 1 ATOM 2932 N NE1 . TRP D 1 84 ? -0.472 44.758 1.709 1.00 46.42 ? 84 TRP D NE1 1 ATOM 2933 C CE2 . TRP D 1 84 ? -1.815 44.764 1.442 1.00 47.13 ? 84 TRP D CE2 1 ATOM 2934 C CE3 . TRP D 1 84 ? -3.516 43.191 0.727 1.00 46.35 ? 84 TRP D CE3 1 ATOM 2935 C CZ2 . TRP D 1 84 ? -2.742 45.811 1.507 1.00 47.04 ? 84 TRP D CZ2 1 ATOM 2936 C CZ3 . TRP D 1 84 ? -4.435 44.229 0.793 1.00 46.27 ? 84 TRP D CZ3 1 ATOM 2937 C CH2 . TRP D 1 84 ? -4.044 45.524 1.179 1.00 47.05 ? 84 TRP D CH2 1 ATOM 2938 N N . ASN D 1 85 ? -0.543 38.067 1.602 1.00 42.76 ? 85 ASN D N 1 ATOM 2939 C CA . ASN D 1 85 ? -0.503 36.661 1.206 1.00 42.62 ? 85 ASN D CA 1 ATOM 2940 C C . ASN D 1 85 ? 0.436 35.874 2.128 1.00 43.27 ? 85 ASN D C 1 ATOM 2941 O O . ASN D 1 85 ? 1.348 36.453 2.725 1.00 42.35 ? 85 ASN D O 1 ATOM 2942 C CB . ASN D 1 85 ? 0.043 36.506 -0.235 1.00 42.62 ? 85 ASN D CB 1 ATOM 2943 C CG . ASN D 1 85 ? -0.868 37.128 -1.287 1.00 45.68 ? 85 ASN D CG 1 ATOM 2944 O OD1 . ASN D 1 85 ? -1.979 36.650 -1.533 1.00 45.83 ? 85 ASN D OD1 1 ATOM 2945 N ND2 . ASN D 1 85 ? -0.398 38.200 -1.912 1.00 44.73 ? 85 ASN D ND2 1 ATOM 2946 N N . TYR D 1 86 ? 0.202 34.572 2.277 1.00 41.93 ? 86 TYR D N 1 ATOM 2947 C CA . TYR D 1 86 ? 1.147 33.755 3.024 1.00 41.30 ? 86 TYR D CA 1 ATOM 2948 C C . TYR D 1 86 ? 0.960 32.272 2.782 1.00 42.00 ? 86 TYR D C 1 ATOM 2949 O O . TYR D 1 86 ? -0.147 31.824 2.485 1.00 43.21 ? 86 TYR D O 1 ATOM 2950 C CB . TYR D 1 86 ? 1.087 34.025 4.542 1.00 39.88 ? 86 TYR D CB 1 ATOM 2951 C CG . TYR D 1 86 ? -0.193 33.594 5.228 1.00 39.72 ? 86 TYR D CG 1 ATOM 2952 C CD1 . TYR D 1 86 ? -0.332 32.316 5.772 1.00 39.35 ? 86 TYR D CD1 1 ATOM 2953 C CD2 . TYR D 1 86 ? -1.268 34.475 5.335 1.00 40.06 ? 86 TYR D CD2 1 ATOM 2954 C CE1 . TYR D 1 86 ? -1.506 31.931 6.408 1.00 40.48 ? 86 TYR D CE1 1 ATOM 2955 C CE2 . TYR D 1 86 ? -2.444 34.101 5.965 1.00 40.41 ? 86 TYR D CE2 1 ATOM 2956 C CZ . TYR D 1 86 ? -2.560 32.832 6.502 1.00 42.05 ? 86 TYR D CZ 1 ATOM 2957 O OH . TYR D 1 86 ? -3.731 32.465 7.123 1.00 43.21 ? 86 TYR D OH 1 ATOM 2958 N N . LYS D 1 87 ? 2.053 31.516 2.865 1.00 40.27 ? 87 LYS D N 1 ATOM 2959 C CA . LYS D 1 87 ? 1.963 30.070 2.789 1.00 37.81 ? 87 LYS D CA 1 ATOM 2960 C C . LYS D 1 87 ? 2.657 29.442 3.995 1.00 37.73 ? 87 LYS D C 1 ATOM 2961 O O . LYS D 1 87 ? 3.853 29.685 4.246 1.00 36.65 ? 87 LYS D O 1 ATOM 2962 C CB . LYS D 1 87 ? 2.593 29.500 1.532 1.00 38.51 ? 87 LYS D CB 1 ATOM 2963 C CG . LYS D 1 87 ? 2.415 27.991 1.408 1.00 37.18 ? 87 LYS D CG 1 ATOM 2964 C CD . LYS D 1 87 ? 3.102 27.476 0.163 1.00 38.57 ? 87 LYS D CD 1 ATOM 2965 C CE . LYS D 1 87 ? 4.613 27.470 0.350 1.00 40.83 ? 87 LYS D CE 1 ATOM 2966 N NZ . LYS D 1 87 ? 5.339 27.351 -0.946 1.00 42.64 ? 87 LYS D NZ 1 ATOM 2967 N N . LEU D 1 88 ? 1.884 28.637 4.721 1.00 34.98 ? 88 LEU D N 1 ATOM 2968 C CA . LEU D 1 88 ? 2.366 27.904 5.871 1.00 35.28 ? 88 LEU D CA 1 ATOM 2969 C C . LEU D 1 88 ? 2.934 26.548 5.449 1.00 34.86 ? 88 LEU D C 1 ATOM 2970 O O . LEU D 1 88 ? 2.490 25.943 4.472 1.00 35.55 ? 88 LEU D O 1 ATOM 2971 C CB . LEU D 1 88 ? 1.214 27.626 6.866 1.00 33.57 ? 88 LEU D CB 1 ATOM 2972 C CG . LEU D 1 88 ? 0.471 28.845 7.439 1.00 34.98 ? 88 LEU D CG 1 ATOM 2973 C CD1 . LEU D 1 88 ? -0.705 28.396 8.304 1.00 33.10 ? 88 LEU D CD1 1 ATOM 2974 C CD2 . LEU D 1 88 ? 1.433 29.722 8.242 1.00 33.41 ? 88 LEU D CD2 1 ATOM 2975 N N . ILE D 1 89 ? 3.966 26.113 6.162 1.00 33.94 ? 89 ILE D N 1 ATOM 2976 C CA . ILE D 1 89 ? 4.486 24.777 5.950 1.00 32.92 ? 89 ILE D CA 1 ATOM 2977 C C . ILE D 1 89 ? 4.488 24.081 7.315 1.00 31.62 ? 89 ILE D C 1 ATOM 2978 O O . ILE D 1 89 ? 4.592 24.730 8.347 1.00 31.14 ? 89 ILE D O 1 ATOM 2979 C CB . ILE D 1 89 ? 5.910 24.751 5.376 1.00 34.79 ? 89 ILE D CB 1 ATOM 2980 C CG1 . ILE D 1 89 ? 6.873 25.482 6.310 1.00 34.14 ? 89 ILE D CG1 1 ATOM 2981 C CG2 . ILE D 1 89 ? 5.909 25.425 4.018 1.00 32.38 ? 89 ILE D CG2 1 ATOM 2982 C CD1 . ILE D 1 89 ? 8.234 24.865 6.384 1.00 34.36 ? 89 ILE D CD1 1 ATOM 2983 N N . TRP D 1 90 ? 4.343 22.764 7.318 1.00 32.82 ? 90 TRP D N 1 ATOM 2984 C CA . TRP D 1 90 ? 4.375 22.035 8.565 1.00 33.79 ? 90 TRP D CA 1 ATOM 2985 C C . TRP D 1 90 ? 4.888 20.619 8.356 1.00 33.32 ? 90 TRP D C 1 ATOM 2986 O O . TRP D 1 90 ? 4.769 20.057 7.270 1.00 32.65 ? 90 TRP D O 1 ATOM 2987 C CB . TRP D 1 90 ? 2.967 21.961 9.198 1.00 33.69 ? 90 TRP D CB 1 ATOM 2988 C CG . TRP D 1 90 ? 1.951 21.278 8.330 1.00 32.76 ? 90 TRP D CG 1 ATOM 2989 C CD1 . TRP D 1 90 ? 1.104 21.872 7.439 1.00 34.59 ? 90 TRP D CD1 1 ATOM 2990 C CD2 . TRP D 1 90 ? 1.691 19.871 8.255 1.00 32.73 ? 90 TRP D CD2 1 ATOM 2991 N NE1 . TRP D 1 90 ? 0.330 20.922 6.813 1.00 36.32 ? 90 TRP D NE1 1 ATOM 2992 C CE2 . TRP D 1 90 ? 0.670 19.686 7.296 1.00 33.48 ? 90 TRP D CE2 1 ATOM 2993 C CE3 . TRP D 1 90 ? 2.221 18.747 8.903 1.00 32.17 ? 90 TRP D CE3 1 ATOM 2994 C CZ2 . TRP D 1 90 ? 0.168 18.425 6.969 1.00 33.75 ? 90 TRP D CZ2 1 ATOM 2995 C CZ3 . TRP D 1 90 ? 1.719 17.493 8.579 1.00 34.10 ? 90 TRP D CZ3 1 ATOM 2996 C CH2 . TRP D 1 90 ? 0.702 17.344 7.618 1.00 33.99 ? 90 TRP D CH2 1 ATOM 2997 N N . ILE D 1 91 ? 5.501 20.078 9.405 1.00 34.62 ? 91 ILE D N 1 ATOM 2998 C CA . ILE D 1 91 ? 5.949 18.698 9.413 1.00 33.40 ? 91 ILE D CA 1 ATOM 2999 C C . ILE D 1 91 ? 5.640 18.086 10.788 1.00 32.98 ? 91 ILE D C 1 ATOM 3000 O O . ILE D 1 91 ? 5.790 18.740 11.823 1.00 32.44 ? 91 ILE D O 1 ATOM 3001 C CB . ILE D 1 91 ? 7.466 18.548 9.063 1.00 34.36 ? 91 ILE D CB 1 ATOM 3002 C CG1 . ILE D 1 91 ? 7.865 17.065 9.052 1.00 32.46 ? 91 ILE D CG1 1 ATOM 3003 C CG2 . ILE D 1 91 ? 8.321 19.365 10.019 1.00 29.81 ? 91 ILE D CG2 1 ATOM 3004 C CD1 . ILE D 1 91 ? 9.226 16.824 8.401 1.00 33.43 ? 91 ILE D CD1 1 ATOM 3005 N N . ALA D 1 92 ? 5.156 16.842 10.757 1.00 33.11 ? 92 ALA D N 1 ATOM 3006 C CA . ALA D 1 92 ? 4.833 16.076 11.952 1.00 34.89 ? 92 ALA D CA 1 ATOM 3007 C C . ALA D 1 92 ? 5.602 14.765 11.955 1.00 34.14 ? 92 ALA D C 1 ATOM 3008 O O . ALA D 1 92 ? 5.591 14.050 10.968 1.00 34.72 ? 92 ALA D O 1 ATOM 3009 C CB . ALA D 1 92 ? 3.337 15.745 11.992 1.00 33.92 ? 92 ALA D CB 1 ATOM 3010 N N . CYS D 1 93 ? 6.280 14.457 13.053 1.00 36.04 ? 93 CYS D N 1 ATOM 3011 C CA . CYS D 1 93 ? 6.951 13.169 13.158 1.00 34.96 ? 93 CYS D CA 1 ATOM 3012 C C . CYS D 1 93 ? 6.746 12.573 14.552 1.00 35.11 ? 93 CYS D C 1 ATOM 3013 O O . CYS D 1 93 ? 6.624 13.311 15.526 1.00 34.46 ? 93 CYS D O 1 ATOM 3014 C CB . CYS D 1 93 ? 8.455 13.280 12.926 1.00 34.50 ? 93 CYS D CB 1 ATOM 3015 S SG . CYS D 1 93 ? 8.966 14.128 11.401 1.00 36.48 ? 93 CYS D SG 1 ATOM 3016 N N . ASP D 1 94 ? 6.682 11.247 14.638 1.00 35.48 ? 94 ASP D N 1 ATOM 3017 C CA . ASP D 1 94 ? 6.605 10.603 15.941 1.00 38.51 ? 94 ASP D CA 1 ATOM 3018 C C . ASP D 1 94 ? 7.969 9.960 16.249 1.00 40.24 ? 94 ASP D C 1 ATOM 3019 O O . ASP D 1 94 ? 8.981 10.412 15.696 1.00 41.15 ? 94 ASP D O 1 ATOM 3020 C CB . ASP D 1 94 ? 5.485 9.556 16.026 1.00 39.90 ? 94 ASP D CB 1 ATOM 3021 C CG . ASP D 1 94 ? 5.655 8.393 15.054 1.00 42.77 ? 94 ASP D CG 1 ATOM 3022 O OD1 . ASP D 1 94 ? 6.596 8.377 14.224 1.00 42.14 ? 94 ASP D OD1 1 ATOM 3023 O OD2 . ASP D 1 94 ? 4.812 7.470 15.124 1.00 45.16 ? 94 ASP D OD2 1 ATOM 3024 O OXT . ASP D 1 94 ? 8.050 9.023 17.058 1.00 43.03 ? 94 ASP D OXT 1 ATOM 3025 N N . ARG E 1 1 ? 5.911 -8.050 9.511 1.00 46.51 ? 1 ARG E N 1 ATOM 3026 C CA . ARG E 1 1 ? 4.765 -7.141 9.774 1.00 47.09 ? 1 ARG E CA 1 ATOM 3027 C C . ARG E 1 1 ? 4.958 -5.801 9.062 1.00 47.44 ? 1 ARG E C 1 ATOM 3028 O O . ARG E 1 1 ? 6.073 -5.447 8.658 1.00 46.50 ? 1 ARG E O 1 ATOM 3029 C CB . ARG E 1 1 ? 4.594 -6.943 11.279 1.00 47.19 ? 1 ARG E CB 1 ATOM 3030 C CG . ARG E 1 1 ? 5.395 -5.806 11.875 1.00 48.90 ? 1 ARG E CG 1 ATOM 3031 C CD . ARG E 1 1 ? 5.130 -5.668 13.366 1.00 51.64 ? 1 ARG E CD 1 ATOM 3032 N NE . ARG E 1 1 ? 5.927 -4.613 13.994 1.00 55.56 ? 1 ARG E NE 1 ATOM 3033 C CZ . ARG E 1 1 ? 7.191 -4.758 14.394 1.00 56.70 ? 1 ARG E CZ 1 ATOM 3034 N NH1 . ARG E 1 1 ? 7.815 -5.920 14.240 1.00 54.24 ? 1 ARG E NH1 1 ATOM 3035 N NH2 . ARG E 1 1 ? 7.829 -3.738 14.959 1.00 56.35 ? 1 ARG E NH2 1 ATOM 3036 N N . LEU E 1 2 ? 3.862 -5.067 8.897 1.00 47.36 ? 2 LEU E N 1 ATOM 3037 C CA . LEU E 1 2 ? 3.889 -3.782 8.211 1.00 48.33 ? 2 LEU E CA 1 ATOM 3038 C C . LEU E 1 2 ? 4.020 -2.606 9.163 1.00 47.84 ? 2 LEU E C 1 ATOM 3039 O O . LEU E 1 2 ? 3.258 -2.494 10.123 1.00 47.79 ? 2 LEU E O 1 ATOM 3040 C CB . LEU E 1 2 ? 2.603 -3.597 7.381 1.00 50.35 ? 2 LEU E CB 1 ATOM 3041 C CG . LEU E 1 2 ? 2.440 -4.518 6.164 1.00 52.56 ? 2 LEU E CG 1 ATOM 3042 C CD1 . LEU E 1 2 ? 0.985 -4.550 5.730 1.00 54.34 ? 2 LEU E CD1 1 ATOM 3043 C CD2 . LEU E 1 2 ? 3.337 -4.050 5.030 1.00 53.42 ? 2 LEU E CD2 1 ATOM 3044 N N . ILE E 1 3 ? 5.003 -1.745 8.910 1.00 46.15 ? 3 ILE E N 1 ATOM 3045 C CA . ILE E 1 3 ? 5.175 -0.548 9.720 1.00 45.50 ? 3 ILE E CA 1 ATOM 3046 C C . ILE E 1 3 ? 5.422 0.684 8.847 1.00 43.58 ? 3 ILE E C 1 ATOM 3047 O O . ILE E 1 3 ? 5.920 0.568 7.733 1.00 42.72 ? 3 ILE E O 1 ATOM 3048 C CB . ILE E 1 3 ? 6.372 -0.661 10.707 1.00 46.88 ? 3 ILE E CB 1 ATOM 3049 C CG1 . ILE E 1 3 ? 7.686 -0.781 9.933 1.00 47.87 ? 3 ILE E CG1 1 ATOM 3050 C CG2 . ILE E 1 3 ? 6.192 -1.873 11.616 1.00 48.04 ? 3 ILE E CG2 1 ATOM 3051 C CD1 . ILE E 1 3 ? 8.915 -0.718 10.822 1.00 48.63 ? 3 ILE E CD1 1 ATOM 3052 N N . HIS E 1 4 ? 5.037 1.850 9.359 1.00 44.95 ? 4 HIS E N 1 ATOM 3053 C CA . HIS E 1 4 ? 5.290 3.104 8.674 1.00 47.42 ? 4 HIS E CA 1 ATOM 3054 C C . HIS E 1 4 ? 6.568 3.740 9.221 1.00 46.56 ? 4 HIS E C 1 ATOM 3055 O O . HIS E 1 4 ? 6.666 4.007 10.416 1.00 47.40 ? 4 HIS E O 1 ATOM 3056 C CB . HIS E 1 4 ? 4.159 4.123 8.906 1.00 50.37 ? 4 HIS E CB 1 ATOM 3057 C CG . HIS E 1 4 ? 2.820 3.659 8.432 1.00 56.39 ? 4 HIS E CG 1 ATOM 3058 N ND1 . HIS E 1 4 ? 2.260 4.081 7.244 1.00 59.17 ? 4 HIS E ND1 1 ATOM 3059 C CD2 . HIS E 1 4 ? 1.931 2.798 8.985 1.00 57.33 ? 4 HIS E CD2 1 ATOM 3060 C CE1 . HIS E 1 4 ? 1.080 3.504 7.089 1.00 60.31 ? 4 HIS E CE1 1 ATOM 3061 N NE2 . HIS E 1 4 ? 0.857 2.721 8.131 1.00 59.61 ? 4 HIS E NE2 1 ATOM 3062 N N . VAL E 1 5 ? 7.552 3.927 8.351 1.00 45.42 ? 5 VAL E N 1 ATOM 3063 C CA . VAL E 1 5 ? 8.749 4.666 8.734 1.00 45.56 ? 5 VAL E CA 1 ATOM 3064 C C . VAL E 1 5 ? 9.144 5.609 7.586 1.00 44.48 ? 5 VAL E C 1 ATOM 3065 O O . VAL E 1 5 ? 8.840 5.350 6.418 1.00 45.61 ? 5 VAL E O 1 ATOM 3066 C CB . VAL E 1 5 ? 9.974 3.770 9.054 1.00 45.65 ? 5 VAL E CB 1 ATOM 3067 C CG1 . VAL E 1 5 ? 9.694 2.927 10.284 1.00 46.36 ? 5 VAL E CG1 1 ATOM 3068 C CG2 . VAL E 1 5 ? 10.308 2.898 7.865 1.00 47.46 ? 5 VAL E CG2 1 ATOM 3069 N N . SER E 1 6 ? 9.787 6.715 7.935 1.00 42.74 ? 6 SER E N 1 ATOM 3070 C CA . SER E 1 6 ? 10.281 7.617 6.925 1.00 41.47 ? 6 SER E CA 1 ATOM 3071 C C . SER E 1 6 ? 11.813 7.666 6.914 1.00 41.04 ? 6 SER E C 1 ATOM 3072 O O . SER E 1 6 ? 12.470 7.389 7.924 1.00 40.71 ? 6 SER E O 1 ATOM 3073 C CB . SER E 1 6 ? 9.830 9.076 7.203 1.00 39.62 ? 6 SER E CB 1 ATOM 3074 O OG . SER E 1 6 ? 8.425 9.162 7.307 1.00 39.53 ? 6 SER E OG 1 ATOM 3075 N N . ARG E 1 7 ? 12.329 7.931 5.718 1.00 40.62 ? 7 ARG E N 1 ATOM 3076 C CA . ARG E 1 7 ? 13.724 8.312 5.596 1.00 39.63 ? 7 ARG E CA 1 ATOM 3077 C C . ARG E 1 7 ? 13.633 9.849 5.302 1.00 39.74 ? 7 ARG E C 1 ATOM 3078 O O . ARG E 1 7 ? 12.822 10.290 4.478 1.00 37.62 ? 7 ARG E O 1 ATOM 3079 C CB . ARG E 1 7 ? 14.432 7.660 4.426 1.00 40.12 ? 7 ARG E CB 1 ATOM 3080 C CG . ARG E 1 7 ? 15.697 8.392 3.996 1.00 42.07 ? 7 ARG E CG 1 ATOM 3081 C CD . ARG E 1 7 ? 16.164 7.885 2.645 1.00 44.34 ? 7 ARG E CD 1 ATOM 3082 N NE . ARG E 1 7 ? 17.325 8.614 2.151 1.00 47.29 ? 7 ARG E NE 1 ATOM 3083 C CZ . ARG E 1 7 ? 17.786 8.512 0.908 1.00 48.35 ? 7 ARG E CZ 1 ATOM 3084 N NH1 . ARG E 1 7 ? 17.179 7.709 0.046 1.00 48.29 ? 7 ARG E NH1 1 ATOM 3085 N NH2 . ARG E 1 7 ? 18.848 9.212 0.529 1.00 48.28 ? 7 ARG E NH2 1 ATOM 3086 N N . CYS E 1 8 ? 14.447 10.642 5.998 1.00 38.28 ? 8 CYS E N 1 ATOM 3087 C CA . CYS E 1 8 ? 14.495 12.068 5.749 1.00 39.27 ? 8 CYS E CA 1 ATOM 3088 C C . CYS E 1 8 ? 15.892 12.539 5.322 1.00 40.84 ? 8 CYS E C 1 ATOM 3089 O O . CYS E 1 8 ? 16.912 11.982 5.739 1.00 42.28 ? 8 CYS E O 1 ATOM 3090 C CB . CYS E 1 8 ? 14.105 12.869 6.993 1.00 36.32 ? 8 CYS E CB 1 ATOM 3091 S SG . CYS E 1 8 ? 12.368 12.670 7.540 1.00 39.36 ? 8 CYS E SG 1 ATOM 3092 N N . GLU E 1 9 ? 15.899 13.535 4.440 1.00 40.32 ? 9 GLU E N 1 ATOM 3093 C CA . GLU E 1 9 ? 17.120 14.218 4.046 1.00 41.02 ? 9 GLU E CA 1 ATOM 3094 C C . GLU E 1 9 ? 16.792 15.711 4.188 1.00 40.84 ? 9 GLU E C 1 ATOM 3095 O O . GLU E 1 9 ? 15.655 16.131 3.980 1.00 40.12 ? 9 GLU E O 1 ATOM 3096 C CB . GLU E 1 9 ? 17.538 13.921 2.607 1.00 42.34 ? 9 GLU E CB 1 ATOM 3097 C CG . GLU E 1 9 ? 17.979 12.481 2.368 1.00 46.14 ? 9 GLU E CG 1 ATOM 3098 C CD . GLU E 1 9 ? 19.343 12.170 2.966 1.00 49.28 ? 9 GLU E CD 1 ATOM 3099 O OE1 . GLU E 1 9 ? 19.980 13.104 3.491 1.00 51.43 ? 9 GLU E OE1 1 ATOM 3100 O OE2 . GLU E 1 9 ? 19.779 11.000 2.912 1.00 53.14 ? 9 GLU E OE2 1 ATOM 3101 N N . MET E 1 10 ? 17.767 16.519 4.571 1.00 39.82 ? 10 MET E N 1 ATOM 3102 C CA . MET E 1 10 ? 17.494 17.932 4.679 1.00 40.58 ? 10 MET E CA 1 ATOM 3103 C C . MET E 1 10 ? 18.722 18.725 4.279 1.00 41.99 ? 10 MET E C 1 ATOM 3104 O O . MET E 1 10 ? 19.806 18.162 4.113 1.00 41.90 ? 10 MET E O 1 ATOM 3105 C CB . MET E 1 10 ? 17.049 18.293 6.099 1.00 40.15 ? 10 MET E CB 1 ATOM 3106 C CG . MET E 1 10 ? 18.131 18.165 7.135 1.00 39.48 ? 10 MET E CG 1 ATOM 3107 S SD . MET E 1 10 ? 17.539 18.484 8.814 1.00 40.65 ? 10 MET E SD 1 ATOM 3108 C CE . MET E 1 10 ? 16.876 16.885 9.204 1.00 34.76 ? 10 MET E CE 1 ATOM 3109 N N . GLY E 1 11 ? 18.540 20.030 4.110 1.00 42.51 ? 11 GLY E N 1 ATOM 3110 C CA . GLY E 1 11 ? 19.644 20.881 3.722 1.00 41.67 ? 11 GLY E CA 1 ATOM 3111 C C . GLY E 1 11 ? 19.318 22.359 3.745 1.00 43.84 ? 11 GLY E C 1 ATOM 3112 O O . GLY E 1 11 ? 18.154 22.757 3.883 1.00 42.87 ? 11 GLY E O 1 ATOM 3113 N N . THR E 1 12 ? 20.364 23.181 3.651 1.00 44.35 ? 12 THR E N 1 ATOM 3114 C CA . THR E 1 12 ? 20.205 24.631 3.592 1.00 44.78 ? 12 THR E CA 1 ATOM 3115 C C . THR E 1 12 ? 20.928 25.183 2.354 1.00 45.42 ? 12 THR E C 1 ATOM 3116 O O . THR E 1 12 ? 21.785 24.521 1.775 1.00 45.68 ? 12 THR E O 1 ATOM 3117 C CB . THR E 1 12 ? 20.738 25.345 4.836 1.00 44.57 ? 12 THR E CB 1 ATOM 3118 O OG1 . THR E 1 12 ? 22.165 25.286 4.848 1.00 47.06 ? 12 THR E OG1 1 ATOM 3119 C CG2 . THR E 1 12 ? 20.182 24.698 6.100 1.00 43.92 ? 12 THR E CG2 1 ATOM 3120 N N . SER E 1 13 ? 20.574 26.404 1.961 1.00 45.65 ? 13 SER E N 1 ATOM 3121 C CA . SER E 1 13 ? 21.150 27.040 0.774 1.00 45.97 ? 13 SER E CA 1 ATOM 3122 C C . SER E 1 13 ? 21.237 28.552 0.967 1.00 45.87 ? 13 SER E C 1 ATOM 3123 O O . SER E 1 13 ? 20.228 29.257 0.913 1.00 44.47 ? 13 SER E O 1 ATOM 3124 C CB . SER E 1 13 ? 20.283 26.707 -0.441 1.00 47.11 ? 13 SER E CB 1 ATOM 3125 O OG . SER E 1 13 ? 20.903 27.134 -1.635 1.00 50.64 ? 13 SER E OG 1 ATOM 3126 N N . THR E 1 14 ? 22.457 29.048 1.160 1.00 45.52 ? 14 THR E N 1 ATOM 3127 C CA . THR E 1 14 ? 22.678 30.459 1.427 1.00 46.16 ? 14 THR E CA 1 ATOM 3128 C C . THR E 1 14 ? 22.979 31.333 0.218 1.00 46.91 ? 14 THR E C 1 ATOM 3129 O O . THR E 1 14 ? 23.776 30.972 -0.646 1.00 48.32 ? 14 THR E O 1 ATOM 3130 C CB . THR E 1 14 ? 23.830 30.628 2.444 1.00 45.84 ? 14 THR E CB 1 ATOM 3131 O OG1 . THR E 1 14 ? 23.527 29.891 3.633 1.00 47.54 ? 14 THR E OG1 1 ATOM 3132 C CG2 . THR E 1 14 ? 24.030 32.096 2.807 1.00 46.80 ? 14 THR E CG2 1 ATOM 3133 N N . HIS E 1 15 ? 22.308 32.479 0.169 1.00 47.26 ? 15 HIS E N 1 ATOM 3134 C CA . HIS E 1 15 ? 22.502 33.462 -0.874 1.00 47.74 ? 15 HIS E CA 1 ATOM 3135 C C . HIS E 1 15 ? 22.872 34.798 -0.239 1.00 49.05 ? 15 HIS E C 1 ATOM 3136 O O . HIS E 1 15 ? 22.037 35.450 0.390 1.00 50.54 ? 15 HIS E O 1 ATOM 3137 C CB . HIS E 1 15 ? 21.232 33.647 -1.723 1.00 46.80 ? 15 HIS E CB 1 ATOM 3138 C CG . HIS E 1 15 ? 20.832 32.423 -2.486 1.00 46.93 ? 15 HIS E CG 1 ATOM 3139 N ND1 . HIS E 1 15 ? 20.691 32.413 -3.858 1.00 46.90 ? 15 HIS E ND1 1 ATOM 3140 C CD2 . HIS E 1 15 ? 20.540 31.168 -2.068 1.00 46.34 ? 15 HIS E CD2 1 ATOM 3141 C CE1 . HIS E 1 15 ? 20.327 31.204 -4.252 1.00 46.05 ? 15 HIS E CE1 1 ATOM 3142 N NE2 . HIS E 1 15 ? 20.227 30.430 -3.186 1.00 46.15 ? 15 HIS E NE2 1 ATOM 3143 N N . ARG E 1 16 ? 24.155 35.151 -0.360 1.00 51.13 ? 16 ARG E N 1 ATOM 3144 C CA . ARG E 1 16 ? 24.673 36.448 0.100 1.00 52.93 ? 16 ARG E CA 1 ATOM 3145 C C . ARG E 1 16 ? 24.739 37.319 -1.168 1.00 53.56 ? 16 ARG E C 1 ATOM 3146 O O . ARG E 1 16 ? 25.361 36.945 -2.163 1.00 53.40 ? 16 ARG E O 1 ATOM 3147 C CB . ARG E 1 16 ? 26.055 36.307 0.717 1.00 52.82 ? 16 ARG E CB 1 ATOM 3148 C CG . ARG E 1 16 ? 26.096 35.386 1.925 1.00 55.77 ? 16 ARG E CG 1 ATOM 3149 C CD . ARG E 1 16 ? 26.166 36.151 3.238 1.00 59.88 ? 16 ARG E CD 1 ATOM 3150 N NE . ARG E 1 16 ? 26.664 35.301 4.320 1.00 64.14 ? 16 ARG E NE 1 ATOM 3151 C CZ . ARG E 1 16 ? 27.558 35.687 5.228 1.00 66.12 ? 16 ARG E CZ 1 ATOM 3152 N NH1 . ARG E 1 16 ? 28.059 36.916 5.193 1.00 67.79 ? 16 ARG E NH1 1 ATOM 3153 N NH2 . ARG E 1 16 ? 27.952 34.843 6.175 1.00 66.27 ? 16 ARG E NH2 1 ATOM 3154 N N . CYS E 1 17 ? 24.098 38.482 -1.118 1.00 54.15 ? 17 CYS E N 1 ATOM 3155 C CA . CYS E 1 17 ? 24.033 39.339 -2.288 1.00 54.90 ? 17 CYS E CA 1 ATOM 3156 C C . CYS E 1 17 ? 24.447 40.771 -2.001 1.00 55.56 ? 17 CYS E C 1 ATOM 3157 O O . CYS E 1 17 ? 25.064 41.417 -2.844 1.00 56.48 ? 17 CYS E O 1 ATOM 3158 C CB . CYS E 1 17 ? 22.594 39.325 -2.848 1.00 52.69 ? 17 CYS E CB 1 ATOM 3159 S SG . CYS E 1 17 ? 21.818 37.692 -2.893 1.00 53.57 ? 17 CYS E SG 1 ATOM 3160 N N . TRP E 1 18 ? 24.123 41.252 -0.799 1.00 56.69 ? 18 TRP E N 1 ATOM 3161 C CA . TRP E 1 18 ? 24.411 42.629 -0.406 1.00 57.70 ? 18 TRP E CA 1 ATOM 3162 C C . TRP E 1 18 ? 25.883 42.945 -0.646 1.00 58.35 ? 18 TRP E C 1 ATOM 3163 O O . TRP E 1 18 ? 26.752 42.136 -0.326 1.00 57.95 ? 18 TRP E O 1 ATOM 3164 C CB . TRP E 1 18 ? 24.061 42.840 1.081 1.00 58.25 ? 18 TRP E CB 1 ATOM 3165 C CG . TRP E 1 18 ? 24.248 44.255 1.548 1.00 61.27 ? 18 TRP E CG 1 ATOM 3166 C CD1 . TRP E 1 18 ? 23.318 45.256 1.538 1.00 62.15 ? 18 TRP E CD1 1 ATOM 3167 C CD2 . TRP E 1 18 ? 25.448 44.831 2.081 1.00 62.42 ? 18 TRP E CD2 1 ATOM 3168 N NE1 . TRP E 1 18 ? 23.862 46.417 2.030 1.00 62.82 ? 18 TRP E NE1 1 ATOM 3169 C CE2 . TRP E 1 18 ? 25.169 46.185 2.371 1.00 63.52 ? 18 TRP E CE2 1 ATOM 3170 C CE3 . TRP E 1 18 ? 26.731 44.336 2.341 1.00 63.11 ? 18 TRP E CE3 1 ATOM 3171 C CZ2 . TRP E 1 18 ? 26.125 47.050 2.909 1.00 64.41 ? 18 TRP E CZ2 1 ATOM 3172 C CZ3 . TRP E 1 18 ? 27.683 45.199 2.876 1.00 64.68 ? 18 TRP E CZ3 1 ATOM 3173 C CH2 . TRP E 1 18 ? 27.373 46.540 3.154 1.00 64.42 ? 18 TRP E CH2 1 ATOM 3174 N N . PRO E 1 19 ? 26.191 44.164 -1.138 1.00 57.88 ? 19 PRO E N 1 ATOM 3175 C CA . PRO E 1 19 ? 25.317 45.292 -1.468 1.00 56.70 ? 19 PRO E CA 1 ATOM 3176 C C . PRO E 1 19 ? 24.568 45.264 -2.786 1.00 55.55 ? 19 PRO E C 1 ATOM 3177 O O . PRO E 1 19 ? 24.085 46.305 -3.229 1.00 54.62 ? 19 PRO E O 1 ATOM 3178 C CB . PRO E 1 19 ? 26.222 46.493 -1.346 1.00 57.71 ? 19 PRO E CB 1 ATOM 3179 C CG . PRO E 1 19 ? 27.527 45.961 -1.839 1.00 57.96 ? 19 PRO E CG 1 ATOM 3180 C CD . PRO E 1 19 ? 27.599 44.519 -1.393 1.00 57.63 ? 19 PRO E CD 1 ATOM 3181 N N . ARG E 1 20 ? 24.533 44.120 -3.450 1.00 54.52 ? 20 ARG E N 1 ATOM 3182 C CA . ARG E 1 20 ? 23.718 44.045 -4.642 1.00 55.34 ? 20 ARG E CA 1 ATOM 3183 C C . ARG E 1 20 ? 22.430 43.285 -4.284 1.00 56.07 ? 20 ARG E C 1 ATOM 3184 O O . ARG E 1 20 ? 22.429 42.424 -3.399 1.00 56.54 ? 20 ARG E O 1 ATOM 3185 C CB . ARG E 1 20 ? 24.431 43.267 -5.763 1.00 54.34 ? 20 ARG E CB 1 ATOM 3186 N N . PRO E 1 21 ? 21.296 43.680 -4.889 1.00 56.08 ? 21 PRO E N 1 ATOM 3187 C CA . PRO E 1 21 ? 20.049 42.978 -4.575 1.00 55.30 ? 21 PRO E CA 1 ATOM 3188 C C . PRO E 1 21 ? 20.193 41.521 -5.097 1.00 55.04 ? 21 PRO E C 1 ATOM 3189 O O . PRO E 1 21 ? 20.844 41.278 -6.123 1.00 55.42 ? 21 PRO E O 1 ATOM 3190 C CB . PRO E 1 21 ? 19.012 43.711 -5.428 1.00 55.26 ? 21 PRO E CB 1 ATOM 3191 C CG . PRO E 1 21 ? 19.517 45.114 -5.460 1.00 57.83 ? 21 PRO E CG 1 ATOM 3192 C CD . PRO E 1 21 ? 21.025 44.969 -5.571 1.00 58.02 ? 21 PRO E CD 1 ATOM 3193 N N . CYS E 1 22 ? 19.608 40.563 -4.379 1.00 53.57 ? 22 CYS E N 1 ATOM 3194 C CA . CYS E 1 22 ? 19.614 39.178 -4.831 1.00 51.99 ? 22 CYS E CA 1 ATOM 3195 C C . CYS E 1 22 ? 18.731 39.112 -6.077 1.00 52.12 ? 22 CYS E C 1 ATOM 3196 O O . CYS E 1 22 ? 17.910 39.998 -6.310 1.00 50.78 ? 22 CYS E O 1 ATOM 3197 C CB . CYS E 1 22 ? 19.015 38.251 -3.768 1.00 51.27 ? 22 CYS E CB 1 ATOM 3198 S SG . CYS E 1 22 ? 19.961 38.173 -2.229 1.00 49.00 ? 22 CYS E SG 1 ATOM 3199 N N . ASP E 1 23 ? 18.928 38.075 -6.887 1.00 53.20 ? 23 ASP E N 1 ATOM 3200 C CA . ASP E 1 23 ? 18.118 37.901 -8.089 1.00 53.57 ? 23 ASP E CA 1 ATOM 3201 C C . ASP E 1 23 ? 16.655 37.752 -7.692 1.00 53.39 ? 23 ASP E C 1 ATOM 3202 O O . ASP E 1 23 ? 16.339 37.347 -6.570 1.00 53.29 ? 23 ASP E O 1 ATOM 3203 C CB . ASP E 1 23 ? 18.569 36.657 -8.867 1.00 55.97 ? 23 ASP E CB 1 ATOM 3204 C CG . ASP E 1 23 ? 20.030 36.725 -9.261 1.00 58.19 ? 23 ASP E CG 1 ATOM 3205 O OD1 . ASP E 1 23 ? 20.646 35.658 -9.462 1.00 59.69 ? 23 ASP E OD1 1 ATOM 3206 O OD2 . ASP E 1 23 ? 20.562 37.852 -9.370 1.00 60.03 ? 23 ASP E OD2 1 ATOM 3207 N N . THR E 1 24 ? 15.765 38.085 -8.619 1.00 53.06 ? 24 THR E N 1 ATOM 3208 C CA . THR E 1 24 ? 14.332 38.004 -8.372 1.00 52.45 ? 24 THR E CA 1 ATOM 3209 C C . THR E 1 24 ? 13.921 36.560 -8.112 1.00 52.53 ? 24 THR E C 1 ATOM 3210 O O . THR E 1 24 ? 12.963 36.294 -7.382 1.00 52.16 ? 24 THR E O 1 ATOM 3211 C CB . THR E 1 24 ? 13.536 38.577 -9.568 1.00 51.44 ? 24 THR E CB 1 ATOM 3212 O OG1 . THR E 1 24 ? 13.919 39.941 -9.772 1.00 53.73 ? 24 THR E OG1 1 ATOM 3213 C CG2 . THR E 1 24 ? 12.035 38.524 -9.295 1.00 51.13 ? 24 THR E CG2 1 ATOM 3214 N N . SER E 1 25 ? 14.658 35.625 -8.702 1.00 51.91 ? 25 SER E N 1 ATOM 3215 C CA . SER E 1 25 ? 14.367 34.217 -8.505 1.00 52.35 ? 25 SER E CA 1 ATOM 3216 C C . SER E 1 25 ? 15.626 33.374 -8.534 1.00 51.40 ? 25 SER E C 1 ATOM 3217 O O . SER E 1 25 ? 16.640 33.768 -9.101 1.00 51.97 ? 25 SER E O 1 ATOM 3218 C CB . SER E 1 25 ? 13.419 33.705 -9.600 1.00 52.62 ? 25 SER E CB 1 ATOM 3219 O OG . SER E 1 25 ? 14.118 33.499 -10.810 1.00 56.04 ? 25 SER E OG 1 ATOM 3220 N N . SER E 1 26 ? 15.564 32.218 -7.882 1.00 51.88 ? 26 SER E N 1 ATOM 3221 C CA . SER E 1 26 ? 16.681 31.286 -7.911 1.00 52.14 ? 26 SER E CA 1 ATOM 3222 C C . SER E 1 26 ? 16.121 29.866 -7.968 1.00 52.67 ? 26 SER E C 1 ATOM 3223 O O . SER E 1 26 ? 15.069 29.577 -7.393 1.00 52.43 ? 26 SER E O 1 ATOM 3224 C CB . SER E 1 26 ? 17.597 31.462 -6.711 1.00 52.84 ? 26 SER E CB 1 ATOM 3225 O OG . SER E 1 26 ? 17.060 30.845 -5.566 1.00 54.99 ? 26 SER E OG 1 ATOM 3226 N N . ASP E 1 27 ? 16.818 28.989 -8.683 1.00 52.88 ? 27 ASP E N 1 ATOM 3227 C CA . ASP E 1 27 ? 16.381 27.601 -8.847 1.00 53.84 ? 27 ASP E CA 1 ATOM 3228 C C . ASP E 1 27 ? 17.612 26.720 -8.792 1.00 55.36 ? 27 ASP E C 1 ATOM 3229 O O . ASP E 1 27 ? 18.477 26.804 -9.660 1.00 56.44 ? 27 ASP E O 1 ATOM 3230 C CB . ASP E 1 27 ? 15.657 27.444 -10.184 1.00 52.77 ? 27 ASP E CB 1 ATOM 3231 C CG . ASP E 1 27 ? 14.252 28.018 -10.154 1.00 54.44 ? 27 ASP E CG 1 ATOM 3232 O OD1 . ASP E 1 27 ? 13.371 27.400 -9.517 1.00 54.76 ? 27 ASP E OD1 1 ATOM 3233 O OD2 . ASP E 1 27 ? 14.026 29.088 -10.758 1.00 55.68 ? 27 ASP E OD2 1 ATOM 3234 N N . GLU E 1 28 ? 17.689 25.869 -7.775 1.00 55.79 ? 28 GLU E N 1 ATOM 3235 C CA . GLU E 1 28 ? 18.867 25.039 -7.586 1.00 56.70 ? 28 GLU E CA 1 ATOM 3236 C C . GLU E 1 28 ? 18.585 23.554 -7.646 1.00 58.01 ? 28 GLU E C 1 ATOM 3237 O O . GLU E 1 28 ? 17.657 23.066 -7.004 1.00 58.53 ? 28 GLU E O 1 ATOM 3238 C CB . GLU E 1 28 ? 19.504 25.378 -6.227 1.00 56.01 ? 28 GLU E CB 1 ATOM 3239 C CG . GLU E 1 28 ? 20.814 24.666 -5.941 1.00 58.09 ? 28 GLU E CG 1 ATOM 3240 C CD . GLU E 1 28 ? 21.413 25.089 -4.617 1.00 60.25 ? 28 GLU E CD 1 ATOM 3241 O OE1 . GLU E 1 28 ? 20.993 26.147 -4.094 1.00 62.15 ? 28 GLU E OE1 1 ATOM 3242 O OE2 . GLU E 1 28 ? 22.305 24.380 -4.100 1.00 60.68 ? 28 GLU E OE2 1 ATOM 3243 N N . PRO E 1 29 ? 19.361 22.807 -8.449 1.00 59.14 ? 29 PRO E N 1 ATOM 3244 C CA . PRO E 1 29 ? 19.084 21.368 -8.501 1.00 57.75 ? 29 PRO E CA 1 ATOM 3245 C C . PRO E 1 29 ? 19.612 20.687 -7.246 1.00 56.50 ? 29 PRO E C 1 ATOM 3246 O O . PRO E 1 29 ? 20.784 20.838 -6.886 1.00 56.23 ? 29 PRO E O 1 ATOM 3247 C CB . PRO E 1 29 ? 19.820 20.901 -9.751 1.00 58.86 ? 29 PRO E CB 1 ATOM 3248 C CG . PRO E 1 29 ? 20.958 21.860 -9.884 1.00 60.55 ? 29 PRO E CG 1 ATOM 3249 C CD . PRO E 1 29 ? 20.446 23.196 -9.375 1.00 59.81 ? 29 PRO E CD 1 ATOM 3250 N N . ILE E 1 30 ? 18.731 19.953 -6.574 1.00 55.90 ? 30 ILE E N 1 ATOM 3251 C CA . ILE E 1 30 ? 19.103 19.220 -5.371 1.00 54.46 ? 30 ILE E CA 1 ATOM 3252 C C . ILE E 1 30 ? 19.019 17.730 -5.669 1.00 53.70 ? 30 ILE E C 1 ATOM 3253 O O . ILE E 1 30 ? 18.028 17.253 -6.229 1.00 52.99 ? 30 ILE E O 1 ATOM 3254 C CB . ILE E 1 30 ? 18.154 19.551 -4.187 1.00 53.74 ? 30 ILE E CB 1 ATOM 3255 C CG1 . ILE E 1 30 ? 18.206 21.050 -3.876 1.00 51.93 ? 30 ILE E CG1 1 ATOM 3256 C CG2 . ILE E 1 30 ? 18.574 18.768 -2.962 1.00 51.91 ? 30 ILE E CG2 1 ATOM 3257 C CD1 . ILE E 1 30 ? 19.562 21.535 -3.427 1.00 51.26 ? 30 ILE E CD1 1 ATOM 3258 N N . SER E 1 31 ? 20.074 17.013 -5.305 1.00 54.27 ? 31 SER E N 1 ATOM 3259 C CA . SER E 1 31 ? 20.142 15.576 -5.511 1.00 56.02 ? 31 SER E CA 1 ATOM 3260 C C . SER E 1 31 ? 20.074 14.776 -4.218 1.00 55.61 ? 31 SER E C 1 ATOM 3261 O O . SER E 1 31 ? 20.722 15.121 -3.227 1.00 54.66 ? 31 SER E O 1 ATOM 3262 C CB . SER E 1 31 ? 21.460 15.196 -6.225 1.00 56.26 ? 31 SER E CB 1 ATOM 3263 O OG . SER E 1 31 ? 21.392 15.486 -7.609 1.00 57.19 ? 31 SER E OG 1 ATOM 3264 N N . PHE E 1 32 ? 19.253 13.730 -4.240 1.00 55.89 ? 32 PHE E N 1 ATOM 3265 C CA . PHE E 1 32 ? 19.183 12.809 -3.126 1.00 57.32 ? 32 PHE E CA 1 ATOM 3266 C C . PHE E 1 32 ? 20.060 11.593 -3.469 1.00 59.65 ? 32 PHE E C 1 ATOM 3267 O O . PHE E 1 32 ? 19.775 10.872 -4.428 1.00 60.69 ? 32 PHE E O 1 ATOM 3268 C CB . PHE E 1 32 ? 17.758 12.269 -2.892 1.00 52.85 ? 32 PHE E CB 1 ATOM 3269 C CG . PHE E 1 32 ? 16.730 13.337 -2.697 1.00 50.26 ? 32 PHE E CG 1 ATOM 3270 C CD1 . PHE E 1 32 ? 16.954 14.390 -1.817 1.00 48.59 ? 32 PHE E CD1 1 ATOM 3271 C CD2 . PHE E 1 32 ? 15.534 13.291 -3.392 1.00 47.65 ? 32 PHE E CD2 1 ATOM 3272 C CE1 . PHE E 1 32 ? 15.995 15.376 -1.644 1.00 47.48 ? 32 PHE E CE1 1 ATOM 3273 C CE2 . PHE E 1 32 ? 14.575 14.268 -3.221 1.00 47.68 ? 32 PHE E CE2 1 ATOM 3274 C CZ . PHE E 1 32 ? 14.805 15.314 -2.347 1.00 47.35 ? 32 PHE E CZ 1 ATOM 3275 N N . TRP E 1 33 ? 21.150 11.394 -2.736 1.00 61.78 ? 33 TRP E N 1 ATOM 3276 C CA . TRP E 1 33 ? 21.891 10.168 -2.953 1.00 63.83 ? 33 TRP E CA 1 ATOM 3277 C C . TRP E 1 33 ? 22.016 9.351 -1.667 1.00 62.09 ? 33 TRP E C 1 ATOM 3278 O O . TRP E 1 33 ? 22.550 9.826 -0.663 1.00 61.68 ? 33 TRP E O 1 ATOM 3279 C CB . TRP E 1 33 ? 23.268 10.374 -3.544 1.00 67.97 ? 33 TRP E CB 1 ATOM 3280 C CG . TRP E 1 33 ? 23.744 9.065 -4.039 1.00 72.92 ? 33 TRP E CG 1 ATOM 3281 C CD1 . TRP E 1 33 ? 24.669 8.248 -3.461 1.00 73.86 ? 33 TRP E CD1 1 ATOM 3282 C CD2 . TRP E 1 33 ? 23.265 8.378 -5.199 1.00 75.63 ? 33 TRP E CD2 1 ATOM 3283 N NE1 . TRP E 1 33 ? 24.793 7.088 -4.187 1.00 76.01 ? 33 TRP E NE1 1 ATOM 3284 C CE2 . TRP E 1 33 ? 23.944 7.144 -5.262 1.00 76.76 ? 33 TRP E CE2 1 ATOM 3285 C CE3 . TRP E 1 33 ? 22.323 8.686 -6.191 1.00 77.29 ? 33 TRP E CE3 1 ATOM 3286 C CZ2 . TRP E 1 33 ? 23.716 6.216 -6.282 1.00 77.80 ? 33 TRP E CZ2 1 ATOM 3287 C CZ3 . TRP E 1 33 ? 22.096 7.763 -7.204 1.00 78.32 ? 33 TRP E CZ3 1 ATOM 3288 C CH2 . TRP E 1 33 ? 22.792 6.544 -7.243 1.00 78.11 ? 33 TRP E CH2 1 ATOM 3289 N N . PRO E 1 34 ? 21.530 8.101 -1.689 1.00 60.88 ? 34 PRO E N 1 ATOM 3290 C CA . PRO E 1 34 ? 20.889 7.464 -2.852 1.00 60.46 ? 34 PRO E CA 1 ATOM 3291 C C . PRO E 1 34 ? 19.467 7.953 -3.048 1.00 60.18 ? 34 PRO E C 1 ATOM 3292 O O . PRO E 1 34 ? 18.948 8.680 -2.207 1.00 61.09 ? 34 PRO E O 1 ATOM 3293 C CB . PRO E 1 34 ? 20.897 5.975 -2.495 1.00 60.56 ? 34 PRO E CB 1 ATOM 3294 C CG . PRO E 1 34 ? 20.967 5.942 -1.012 1.00 60.52 ? 34 PRO E CG 1 ATOM 3295 C CD . PRO E 1 34 ? 21.775 7.131 -0.602 1.00 61.25 ? 34 PRO E CD 1 ATOM 3296 N N . PRO E 1 35 ? 18.825 7.591 -4.181 1.00 59.91 ? 35 PRO E N 1 ATOM 3297 C CA . PRO E 1 35 ? 17.445 8.031 -4.424 1.00 59.59 ? 35 PRO E CA 1 ATOM 3298 C C . PRO E 1 35 ? 16.529 7.449 -3.336 1.00 59.35 ? 35 PRO E C 1 ATOM 3299 O O . PRO E 1 35 ? 16.897 6.504 -2.642 1.00 59.54 ? 35 PRO E O 1 ATOM 3300 C CB . PRO E 1 35 ? 17.092 7.378 -5.766 1.00 59.62 ? 35 PRO E CB 1 ATOM 3301 C CG . PRO E 1 35 ? 18.387 7.244 -6.459 1.00 59.71 ? 35 PRO E CG 1 ATOM 3302 C CD . PRO E 1 35 ? 19.384 6.917 -5.375 1.00 59.88 ? 35 PRO E CD 1 ATOM 3303 N N . PHE E 1 36 ? 15.345 8.031 -3.186 1.00 59.45 ? 36 PHE E N 1 ATOM 3304 C CA . PHE E 1 36 ? 14.383 7.478 -2.252 1.00 58.82 ? 36 PHE E CA 1 ATOM 3305 C C . PHE E 1 36 ? 13.776 6.234 -2.912 1.00 60.28 ? 36 PHE E C 1 ATOM 3306 O O . PHE E 1 36 ? 13.984 5.989 -4.100 1.00 59.60 ? 36 PHE E O 1 ATOM 3307 C CB . PHE E 1 36 ? 13.263 8.491 -1.963 1.00 56.59 ? 36 PHE E CB 1 ATOM 3308 C CG . PHE E 1 36 ? 13.642 9.516 -0.940 1.00 54.37 ? 36 PHE E CG 1 ATOM 3309 C CD1 . PHE E 1 36 ? 14.385 10.632 -1.298 1.00 52.53 ? 36 PHE E CD1 1 ATOM 3310 C CD2 . PHE E 1 36 ? 13.266 9.359 0.387 1.00 52.06 ? 36 PHE E CD2 1 ATOM 3311 C CE1 . PHE E 1 36 ? 14.742 11.579 -0.350 1.00 53.08 ? 36 PHE E CE1 1 ATOM 3312 C CE2 . PHE E 1 36 ? 13.619 10.303 1.341 1.00 51.27 ? 36 PHE E CE2 1 ATOM 3313 C CZ . PHE E 1 36 ? 14.357 11.415 0.972 1.00 51.80 ? 36 PHE E CZ 1 ATOM 3314 N N . GLU E 1 37 ? 13.067 5.425 -2.129 1.00 62.44 ? 37 GLU E N 1 ATOM 3315 C CA . GLU E 1 37 ? 12.392 4.265 -2.702 1.00 65.50 ? 37 GLU E CA 1 ATOM 3316 C C . GLU E 1 37 ? 11.019 4.736 -3.190 1.00 65.14 ? 37 GLU E C 1 ATOM 3317 O O . GLU E 1 37 ? 10.479 4.208 -4.165 1.00 66.21 ? 37 GLU E O 1 ATOM 3318 C CB . GLU E 1 37 ? 12.252 3.141 -1.683 1.00 67.90 ? 37 GLU E CB 1 ATOM 3319 C CG . GLU E 1 37 ? 13.581 2.489 -1.332 1.00 71.61 ? 37 GLU E CG 1 ATOM 3320 C CD . GLU E 1 37 ? 13.489 0.977 -1.312 1.00 75.17 ? 37 GLU E CD 1 ATOM 3321 O OE1 . GLU E 1 37 ? 12.354 0.449 -1.343 1.00 77.30 ? 37 GLU E OE1 1 ATOM 3322 O OE2 . GLU E 1 37 ? 14.548 0.314 -1.262 1.00 76.61 ? 37 GLU E OE2 1 ATOM 3323 N N . ASN E 1 38 ? 10.466 5.730 -2.500 1.00 64.32 ? 38 ASN E N 1 ATOM 3324 C CA . ASN E 1 38 ? 9.195 6.321 -2.904 1.00 63.54 ? 38 ASN E CA 1 ATOM 3325 C C . ASN E 1 38 ? 9.373 7.836 -3.064 1.00 61.95 ? 38 ASN E C 1 ATOM 3326 O O . ASN E 1 38 ? 10.254 8.432 -2.444 1.00 61.65 ? 38 ASN E O 1 ATOM 3327 C CB . ASN E 1 38 ? 8.108 6.046 -1.862 1.00 65.15 ? 38 ASN E CB 1 ATOM 3328 C CG . ASN E 1 38 ? 7.925 4.562 -1.594 1.00 66.53 ? 38 ASN E CG 1 ATOM 3329 O OD1 . ASN E 1 38 ? 8.900 3.818 -1.467 1.00 69.69 ? 38 ASN E OD1 1 ATOM 3330 N ND2 . ASN E 1 38 ? 6.679 4.128 -1.494 1.00 66.21 ? 38 ASN E ND2 1 ATOM 3331 N N . THR E 1 39 ? 8.544 8.451 -3.914 1.00 60.02 ? 39 THR E N 1 ATOM 3332 C CA . THR E 1 39 ? 8.599 9.908 -4.133 1.00 56.98 ? 39 THR E CA 1 ATOM 3333 C C . THR E 1 39 ? 8.322 10.574 -2.788 1.00 54.78 ? 39 THR E C 1 ATOM 3334 O O . THR E 1 39 ? 7.239 10.429 -2.217 1.00 54.29 ? 39 THR E O 1 ATOM 3335 C CB . THR E 1 39 ? 7.572 10.363 -5.173 1.00 56.68 ? 39 THR E CB 1 ATOM 3336 O OG1 . THR E 1 39 ? 7.954 9.862 -6.462 1.00 58.00 ? 39 THR E OG1 1 ATOM 3337 C CG2 . THR E 1 39 ? 7.522 11.884 -5.230 1.00 54.75 ? 39 THR E CG2 1 ATOM 3338 N N . PRO E 1 40 ? 9.290 11.343 -2.281 1.00 52.14 ? 40 PRO E N 1 ATOM 3339 C CA . PRO E 1 40 ? 9.118 12.026 -0.999 1.00 50.80 ? 40 PRO E CA 1 ATOM 3340 C C . PRO E 1 40 ? 8.313 13.297 -1.034 1.00 48.93 ? 40 PRO E C 1 ATOM 3341 O O . PRO E 1 40 ? 8.043 13.813 -2.108 1.00 48.49 ? 40 PRO E O 1 ATOM 3342 C CB . PRO E 1 40 ? 10.571 12.337 -0.593 1.00 50.55 ? 40 PRO E CB 1 ATOM 3343 C CG . PRO E 1 40 ? 11.240 12.615 -1.913 1.00 51.40 ? 40 PRO E CG 1 ATOM 3344 C CD . PRO E 1 40 ? 10.593 11.671 -2.907 1.00 51.28 ? 40 PRO E CD 1 ATOM 3345 N N . ASN E 1 41 ? 7.891 13.760 0.145 1.00 47.46 ? 41 ASN E N 1 ATOM 3346 C CA . ASN E 1 41 ? 7.308 15.098 0.233 1.00 45.08 ? 41 ASN E CA 1 ATOM 3347 C C . ASN E 1 41 ? 8.497 16.017 0.616 1.00 42.62 ? 41 ASN E C 1 ATOM 3348 O O . ASN E 1 41 ? 9.451 15.581 1.269 1.00 39.90 ? 41 ASN E O 1 ATOM 3349 C CB . ASN E 1 41 ? 6.228 15.196 1.305 1.00 47.33 ? 41 ASN E CB 1 ATOM 3350 C CG . ASN E 1 41 ? 4.940 14.535 0.864 1.00 51.26 ? 41 ASN E CG 1 ATOM 3351 O OD1 . ASN E 1 41 ? 4.852 14.017 -0.253 1.00 55.90 ? 41 ASN E OD1 1 ATOM 3352 N ND2 . ASN E 1 41 ? 3.933 14.544 1.730 1.00 53.87 ? 41 ASN E ND2 1 ATOM 3353 N N . VAL E 1 42 ? 8.444 17.267 0.162 1.00 41.59 ? 42 VAL E N 1 ATOM 3354 C CA . VAL E 1 42 ? 9.473 18.245 0.483 1.00 40.74 ? 42 VAL E CA 1 ATOM 3355 C C . VAL E 1 42 ? 8.832 19.590 0.812 1.00 40.32 ? 42 VAL E C 1 ATOM 3356 O O . VAL E 1 42 ? 7.933 20.037 0.100 1.00 41.92 ? 42 VAL E O 1 ATOM 3357 C CB . VAL E 1 42 ? 10.456 18.471 -0.719 1.00 41.33 ? 42 VAL E CB 1 ATOM 3358 C CG1 . VAL E 1 42 ? 11.682 19.266 -0.261 1.00 39.51 ? 42 VAL E CG1 1 ATOM 3359 C CG2 . VAL E 1 42 ? 10.873 17.127 -1.315 1.00 40.55 ? 42 VAL E CG2 1 ATOM 3360 N N . ILE E 1 43 ? 9.262 20.201 1.921 1.00 38.39 ? 43 ILE E N 1 ATOM 3361 C CA . ILE E 1 43 ? 8.798 21.534 2.297 1.00 37.01 ? 43 ILE E CA 1 ATOM 3362 C C . ILE E 1 43 ? 10.032 22.427 2.412 1.00 36.57 ? 43 ILE E C 1 ATOM 3363 O O . ILE E 1 43 ? 11.125 21.952 2.725 1.00 35.53 ? 43 ILE E O 1 ATOM 3364 C CB . ILE E 1 43 ? 8.000 21.569 3.603 1.00 37.50 ? 43 ILE E CB 1 ATOM 3365 C CG1 . ILE E 1 43 ? 8.753 20.829 4.699 1.00 38.05 ? 43 ILE E CG1 1 ATOM 3366 C CG2 . ILE E 1 43 ? 6.631 20.967 3.372 1.00 34.40 ? 43 ILE E CG2 1 ATOM 3367 C CD1 . ILE E 1 43 ? 8.190 21.053 6.098 1.00 38.14 ? 43 ILE E CD1 1 ATOM 3368 N N . VAL E 1 44 ? 9.831 23.719 2.178 1.00 35.33 ? 44 VAL E N 1 ATOM 3369 C CA . VAL E 1 44 ? 10.920 24.678 2.154 1.00 34.40 ? 44 VAL E CA 1 ATOM 3370 C C . VAL E 1 44 ? 10.565 25.927 2.936 1.00 34.72 ? 44 VAL E C 1 ATOM 3371 O O . VAL E 1 44 ? 9.433 26.410 2.885 1.00 34.25 ? 44 VAL E O 1 ATOM 3372 C CB . VAL E 1 44 ? 11.218 25.101 0.646 1.00 34.22 ? 44 VAL E CB 1 ATOM 3373 C CG1 . VAL E 1 44 ? 12.313 26.160 0.596 1.00 31.36 ? 44 VAL E CG1 1 ATOM 3374 C CG2 . VAL E 1 44 ? 11.621 23.884 -0.180 1.00 31.49 ? 44 VAL E CG2 1 ATOM 3375 N N . SER E 1 45 ? 11.522 26.420 3.709 1.00 34.58 ? 45 SER E N 1 ATOM 3376 C CA . SER E 1 45 ? 11.309 27.656 4.444 1.00 34.99 ? 45 SER E CA 1 ATOM 3377 C C . SER E 1 45 ? 12.555 28.540 4.394 1.00 34.46 ? 45 SER E C 1 ATOM 3378 O O . SER E 1 45 ? 13.474 28.293 3.603 1.00 34.62 ? 45 SER E O 1 ATOM 3379 C CB . SER E 1 45 ? 10.920 27.387 5.894 1.00 35.73 ? 45 SER E CB 1 ATOM 3380 O OG . SER E 1 45 ? 10.307 28.536 6.456 1.00 37.59 ? 45 SER E OG 1 ATOM 3381 N N . PHE E 1 46 ? 12.567 29.577 5.226 1.00 34.70 ? 46 PHE E N 1 ATOM 3382 C CA . PHE E 1 46 ? 13.691 30.501 5.300 1.00 34.73 ? 46 PHE E CA 1 ATOM 3383 C C . PHE E 1 46 ? 14.369 30.445 6.666 1.00 35.54 ? 46 PHE E C 1 ATOM 3384 O O . PHE E 1 46 ? 13.717 30.569 7.697 1.00 38.74 ? 46 PHE E O 1 ATOM 3385 C CB . PHE E 1 46 ? 13.227 31.937 5.030 1.00 33.35 ? 46 PHE E CB 1 ATOM 3386 C CG . PHE E 1 46 ? 12.769 32.174 3.621 1.00 34.83 ? 46 PHE E CG 1 ATOM 3387 C CD1 . PHE E 1 46 ? 13.643 32.681 2.661 1.00 33.45 ? 46 PHE E CD1 1 ATOM 3388 C CD2 . PHE E 1 46 ? 11.463 31.881 3.247 1.00 33.48 ? 46 PHE E CD2 1 ATOM 3389 C CE1 . PHE E 1 46 ? 13.217 32.893 1.356 1.00 34.35 ? 46 PHE E CE1 1 ATOM 3390 C CE2 . PHE E 1 46 ? 11.030 32.090 1.945 1.00 32.65 ? 46 PHE E CE2 1 ATOM 3391 C CZ . PHE E 1 46 ? 11.904 32.594 0.998 1.00 33.93 ? 46 PHE E CZ 1 ATOM 3392 N N . GLY E 1 47 ? 15.683 30.239 6.661 1.00 35.56 ? 47 GLY E N 1 ATOM 3393 C CA . GLY E 1 47 ? 16.449 30.196 7.900 1.00 35.37 ? 47 GLY E CA 1 ATOM 3394 C C . GLY E 1 47 ? 17.082 31.550 8.204 1.00 35.09 ? 47 GLY E C 1 ATOM 3395 O O . GLY E 1 47 ? 17.361 31.872 9.362 1.00 34.14 ? 47 GLY E O 1 ATOM 3396 N N . MET E 1 48 ? 17.340 32.332 7.158 1.00 34.31 ? 48 MET E N 1 ATOM 3397 C CA . MET E 1 48 ? 17.890 33.676 7.305 1.00 36.01 ? 48 MET E CA 1 ATOM 3398 C C . MET E 1 48 ? 17.235 34.568 6.254 1.00 35.10 ? 48 MET E C 1 ATOM 3399 O O . MET E 1 48 ? 16.907 34.110 5.164 1.00 36.58 ? 48 MET E O 1 ATOM 3400 C CB . MET E 1 48 ? 19.424 33.678 7.151 1.00 36.62 ? 48 MET E CB 1 ATOM 3401 C CG . MET E 1 48 ? 20.090 35.057 7.227 1.00 36.47 ? 48 MET E CG 1 ATOM 3402 S SD . MET E 1 48 ? 20.250 35.850 5.615 1.00 39.92 ? 48 MET E SD 1 ATOM 3403 C CE . MET E 1 48 ? 21.522 34.832 4.867 1.00 37.53 ? 48 MET E CE 1 ATOM 3404 N N . LEU E 1 49 ? 17.024 35.838 6.586 1.00 34.82 ? 49 LEU E N 1 ATOM 3405 C CA . LEU E 1 49 ? 16.389 36.750 5.643 1.00 36.32 ? 49 LEU E CA 1 ATOM 3406 C C . LEU E 1 49 ? 16.814 38.194 5.894 1.00 35.34 ? 49 LEU E C 1 ATOM 3407 O O . LEU E 1 49 ? 16.951 38.618 7.040 1.00 35.79 ? 49 LEU E O 1 ATOM 3408 C CB . LEU E 1 49 ? 14.858 36.610 5.749 1.00 37.32 ? 49 LEU E CB 1 ATOM 3409 C CG . LEU E 1 49 ? 13.991 37.244 4.658 1.00 40.44 ? 49 LEU E CG 1 ATOM 3410 C CD1 . LEU E 1 49 ? 14.377 36.688 3.302 1.00 39.64 ? 49 LEU E CD1 1 ATOM 3411 C CD2 . LEU E 1 49 ? 12.521 36.957 4.938 1.00 39.62 ? 49 LEU E CD2 1 ATOM 3412 N N . ASP E 1 50 ? 17.039 38.937 4.813 1.00 37.01 ? 50 ASP E N 1 ATOM 3413 C CA . ASP E 1 50 ? 17.461 40.347 4.890 1.00 38.18 ? 50 ASP E CA 1 ATOM 3414 C C . ASP E 1 50 ? 16.679 41.100 3.821 1.00 38.32 ? 50 ASP E C 1 ATOM 3415 O O . ASP E 1 50 ? 17.036 41.079 2.645 1.00 39.92 ? 50 ASP E O 1 ATOM 3416 C CB . ASP E 1 50 ? 18.981 40.457 4.641 1.00 40.42 ? 50 ASP E CB 1 ATOM 3417 C CG . ASP E 1 50 ? 19.504 41.881 4.804 1.00 41.74 ? 50 ASP E CG 1 ATOM 3418 O OD1 . ASP E 1 50 ? 20.738 42.039 4.922 1.00 43.28 ? 50 ASP E OD1 1 ATOM 3419 O OD2 . ASP E 1 50 ? 18.706 42.847 4.810 1.00 43.46 ? 50 ASP E OD2 1 ATOM 3420 N N . VAL E 1 51 ? 15.616 41.781 4.238 1.00 37.47 ? 51 VAL E N 1 ATOM 3421 C CA . VAL E 1 51 ? 14.741 42.477 3.295 1.00 36.36 ? 51 VAL E CA 1 ATOM 3422 C C . VAL E 1 51 ? 14.685 43.981 3.524 1.00 37.21 ? 51 VAL E C 1 ATOM 3423 O O . VAL E 1 51 ? 14.537 44.450 4.658 1.00 37.10 ? 51 VAL E O 1 ATOM 3424 C CB . VAL E 1 51 ? 13.289 41.886 3.385 1.00 36.00 ? 51 VAL E CB 1 ATOM 3425 C CG1 . VAL E 1 51 ? 12.353 42.614 2.431 1.00 32.67 ? 51 VAL E CG1 1 ATOM 3426 C CG2 . VAL E 1 51 ? 13.303 40.397 3.070 1.00 34.81 ? 51 VAL E CG2 1 ATOM 3427 N N . ASP E 1 52 ? 14.825 44.749 2.446 1.00 39.18 ? 52 ASP E N 1 ATOM 3428 C CA . ASP E 1 52 ? 14.782 46.211 2.546 1.00 40.43 ? 52 ASP E CA 1 ATOM 3429 C C . ASP E 1 52 ? 13.375 46.706 2.900 1.00 40.18 ? 52 ASP E C 1 ATOM 3430 O O . ASP E 1 52 ? 12.387 46.269 2.319 1.00 40.71 ? 52 ASP E O 1 ATOM 3431 C CB . ASP E 1 52 ? 15.256 46.850 1.239 1.00 43.16 ? 52 ASP E CB 1 ATOM 3432 C CG . ASP E 1 52 ? 15.759 48.269 1.441 1.00 45.61 ? 52 ASP E CG 1 ATOM 3433 O OD1 . ASP E 1 52 ? 14.932 49.202 1.385 1.00 45.96 ? 52 ASP E OD1 1 ATOM 3434 O OD2 . ASP E 1 52 ? 16.978 48.452 1.676 1.00 48.69 ? 52 ASP E OD2 1 ATOM 3435 N N . ASN E 1 53 ? 13.296 47.631 3.850 1.00 41.61 ? 53 ASN E N 1 ATOM 3436 C CA . ASN E 1 53 ? 12.009 48.137 4.316 1.00 41.08 ? 53 ASN E CA 1 ATOM 3437 C C . ASN E 1 53 ? 11.378 49.206 3.422 1.00 41.74 ? 53 ASN E C 1 ATOM 3438 O O . ASN E 1 53 ? 10.275 49.675 3.695 1.00 40.97 ? 53 ASN E O 1 ATOM 3439 C CB . ASN E 1 53 ? 12.170 48.690 5.749 1.00 39.28 ? 53 ASN E CB 1 ATOM 3440 C CG . ASN E 1 53 ? 12.935 50.005 5.799 1.00 38.12 ? 53 ASN E CG 1 ATOM 3441 O OD1 . ASN E 1 53 ? 13.630 50.378 4.850 1.00 39.67 ? 53 ASN E OD1 1 ATOM 3442 N ND2 . ASN E 1 53 ? 12.818 50.709 6.923 1.00 34.66 ? 53 ASN E ND2 1 ATOM 3443 N N . SER E 1 54 ? 12.060 49.577 2.340 1.00 41.18 ? 54 SER E N 1 ATOM 3444 C CA . SER E 1 54 ? 11.537 50.626 1.467 1.00 42.32 ? 54 SER E CA 1 ATOM 3445 C C . SER E 1 54 ? 10.323 50.160 0.682 1.00 41.73 ? 54 SER E C 1 ATOM 3446 O O . SER E 1 54 ? 9.579 50.968 0.135 1.00 39.93 ? 54 SER E O 1 ATOM 3447 C CB . SER E 1 54 ? 12.629 51.149 0.528 1.00 41.53 ? 54 SER E CB 1 ATOM 3448 O OG . SER E 1 54 ? 13.110 50.117 -0.315 1.00 46.62 ? 54 SER E OG 1 ATOM 3449 N N . ASN E 1 55 ? 10.132 48.849 0.617 1.00 41.89 ? 55 ASN E N 1 ATOM 3450 C CA . ASN E 1 55 ? 8.959 48.295 -0.044 1.00 42.63 ? 55 ASN E CA 1 ATOM 3451 C C . ASN E 1 55 ? 8.444 47.100 0.755 1.00 41.75 ? 55 ASN E C 1 ATOM 3452 O O . ASN E 1 55 ? 9.082 46.684 1.729 1.00 42.07 ? 55 ASN E O 1 ATOM 3453 C CB . ASN E 1 55 ? 9.277 47.913 -1.494 1.00 43.98 ? 55 ASN E CB 1 ATOM 3454 C CG . ASN E 1 55 ? 9.401 49.140 -2.396 1.00 47.52 ? 55 ASN E CG 1 ATOM 3455 O OD1 . ASN E 1 55 ? 8.412 49.831 -2.657 1.00 50.15 ? 55 ASN E OD1 1 ATOM 3456 N ND2 . ASN E 1 55 ? 10.612 49.423 -2.862 1.00 45.66 ? 55 ASN E ND2 1 ATOM 3457 N N . ASN E 1 56 ? 7.282 46.573 0.379 1.00 40.41 ? 56 ASN E N 1 ATOM 3458 C CA . ASN E 1 56 ? 6.717 45.433 1.084 1.00 40.06 ? 56 ASN E CA 1 ATOM 3459 C C . ASN E 1 56 ? 7.644 44.233 1.067 1.00 39.48 ? 56 ASN E C 1 ATOM 3460 O O . ASN E 1 56 ? 8.460 44.076 0.161 1.00 39.83 ? 56 ASN E O 1 ATOM 3461 C CB . ASN E 1 56 ? 5.374 45.012 0.454 1.00 39.69 ? 56 ASN E CB 1 ATOM 3462 C CG . ASN E 1 56 ? 4.262 45.994 0.756 1.00 39.97 ? 56 ASN E CG 1 ATOM 3463 O OD1 . ASN E 1 56 ? 4.491 47.018 1.397 1.00 41.20 ? 56 ASN E OD1 1 ATOM 3464 N ND2 . ASN E 1 56 ? 3.051 45.688 0.302 1.00 40.05 ? 56 ASN E ND2 1 ATOM 3465 N N . LEU E 1 57 ? 7.539 43.413 2.110 1.00 38.77 ? 57 LEU E N 1 ATOM 3466 C CA . LEU E 1 57 ? 8.297 42.178 2.161 1.00 36.61 ? 57 LEU E CA 1 ATOM 3467 C C . LEU E 1 57 ? 7.514 41.125 1.374 1.00 35.98 ? 57 LEU E C 1 ATOM 3468 O O . LEU E 1 57 ? 6.375 40.787 1.716 1.00 35.00 ? 57 LEU E O 1 ATOM 3469 C CB . LEU E 1 57 ? 8.479 41.695 3.611 1.00 35.52 ? 57 LEU E CB 1 ATOM 3470 C CG . LEU E 1 57 ? 9.275 40.380 3.789 1.00 35.88 ? 57 LEU E CG 1 ATOM 3471 C CD1 . LEU E 1 57 ? 10.151 40.479 5.042 1.00 34.75 ? 57 LEU E CD1 1 ATOM 3472 C CD2 . LEU E 1 57 ? 8.356 39.160 3.873 1.00 31.65 ? 57 LEU E CD2 1 ATOM 3473 N N . ARG E 1 58 ? 8.133 40.629 0.309 1.00 34.33 ? 58 ARG E N 1 ATOM 3474 C CA . ARG E 1 58 ? 7.535 39.594 -0.513 1.00 35.57 ? 58 ARG E CA 1 ATOM 3475 C C . ARG E 1 58 ? 8.576 38.511 -0.780 1.00 36.15 ? 58 ARG E C 1 ATOM 3476 O O . ARG E 1 58 ? 9.552 38.751 -1.489 1.00 37.67 ? 58 ARG E O 1 ATOM 3477 C CB . ARG E 1 58 ? 7.044 40.168 -1.857 1.00 37.90 ? 58 ARG E CB 1 ATOM 3478 C CG . ARG E 1 58 ? 6.125 41.393 -1.739 1.00 36.78 ? 58 ARG E CG 1 ATOM 3479 C CD . ARG E 1 58 ? 5.728 41.917 -3.120 1.00 36.55 ? 58 ARG E CD 1 ATOM 3480 N NE . ARG E 1 58 ? 4.824 43.067 -3.051 1.00 37.80 ? 58 ARG E NE 1 ATOM 3481 C CZ . ARG E 1 58 ? 5.210 44.339 -3.014 1.00 37.30 ? 58 ARG E CZ 1 ATOM 3482 N NH1 . ARG E 1 58 ? 6.500 44.659 -3.043 1.00 39.25 ? 58 ARG E NH1 1 ATOM 3483 N NH2 . ARG E 1 58 ? 4.302 45.297 -2.953 1.00 37.06 ? 58 ARG E NH2 1 ATOM 3484 N N . VAL E 1 59 ? 8.395 37.339 -0.173 1.00 36.08 ? 59 VAL E N 1 ATOM 3485 C CA . VAL E 1 59 ? 9.294 36.215 -0.411 1.00 35.81 ? 59 VAL E CA 1 ATOM 3486 C C . VAL E 1 59 ? 8.471 34.949 -0.669 1.00 36.77 ? 59 VAL E C 1 ATOM 3487 O O . VAL E 1 59 ? 7.375 34.784 -0.131 1.00 39.52 ? 59 VAL E O 1 ATOM 3488 C CB . VAL E 1 59 ? 10.293 35.972 0.758 1.00 35.15 ? 59 VAL E CB 1 ATOM 3489 C CG1 . VAL E 1 59 ? 11.163 37.204 0.967 1.00 32.25 ? 59 VAL E CG1 1 ATOM 3490 C CG2 . VAL E 1 59 ? 9.545 35.624 2.028 1.00 33.92 ? 59 VAL E CG2 1 ATOM 3491 N N . ASN E 1 60 ? 9.011 34.064 -1.507 1.00 37.83 ? 60 ASN E N 1 ATOM 3492 C CA . ASN E 1 60 ? 8.344 32.828 -1.886 1.00 37.69 ? 60 ASN E CA 1 ATOM 3493 C C . ASN E 1 60 ? 9.367 31.728 -2.055 1.00 38.57 ? 60 ASN E C 1 ATOM 3494 O O . ASN E 1 60 ? 10.497 31.982 -2.471 1.00 38.94 ? 60 ASN E O 1 ATOM 3495 C CB . ASN E 1 60 ? 7.578 33.020 -3.212 1.00 40.56 ? 60 ASN E CB 1 ATOM 3496 C CG . ASN E 1 60 ? 6.759 31.795 -3.595 1.00 41.39 ? 60 ASN E CG 1 ATOM 3497 O OD1 . ASN E 1 60 ? 6.191 31.115 -2.746 1.00 41.11 ? 60 ASN E OD1 1 ATOM 3498 N ND2 . ASN E 1 60 ? 6.761 31.548 -4.896 1.00 45.34 ? 60 ASN E ND2 1 ATOM 3499 N N . SER E 1 61 ? 8.968 30.504 -1.721 1.00 38.45 ? 61 SER E N 1 ATOM 3500 C CA . SER E 1 61 ? 9.849 29.359 -1.847 1.00 38.63 ? 61 SER E CA 1 ATOM 3501 C C . SER E 1 61 ? 9.040 28.090 -2.020 1.00 39.85 ? 61 SER E C 1 ATOM 3502 O O . SER E 1 61 ? 7.888 28.011 -1.582 1.00 41.87 ? 61 SER E O 1 ATOM 3503 C CB . SER E 1 61 ? 10.729 29.219 -0.591 1.00 38.58 ? 61 SER E CB 1 ATOM 3504 O OG . SER E 1 61 ? 9.954 28.877 0.551 1.00 38.78 ? 61 SER E OG 1 ATOM 3505 N N . SER E 1 62 ? 9.623 27.108 -2.693 1.00 39.67 ? 62 SER E N 1 ATOM 3506 C CA . SER E 1 62 ? 8.963 25.819 -2.840 1.00 41.74 ? 62 SER E CA 1 ATOM 3507 C C . SER E 1 62 ? 9.900 24.760 -3.388 1.00 41.38 ? 62 SER E C 1 ATOM 3508 O O . SER E 1 62 ? 10.990 25.068 -3.860 1.00 41.55 ? 62 SER E O 1 ATOM 3509 C CB . SER E 1 62 ? 7.749 25.913 -3.785 1.00 43.18 ? 62 SER E CB 1 ATOM 3510 O OG . SER E 1 62 ? 8.135 26.331 -5.081 1.00 48.44 ? 62 SER E OG 1 ATOM 3511 N N . ALA E 1 63 ? 9.482 23.505 -3.264 1.00 42.28 ? 63 ALA E N 1 ATOM 3512 C CA . ALA E 1 63 ? 10.215 22.409 -3.877 1.00 42.79 ? 63 ALA E CA 1 ATOM 3513 C C . ALA E 1 63 ? 9.425 22.018 -5.136 1.00 43.70 ? 63 ALA E C 1 ATOM 3514 O O . ALA E 1 63 ? 8.283 21.566 -5.052 1.00 42.90 ? 63 ALA E O 1 ATOM 3515 C CB . ALA E 1 63 ? 10.319 21.218 -2.953 1.00 40.91 ? 63 ALA E CB 1 ATOM 3516 N N . ASP E 1 64 ? 10.041 22.207 -6.298 1.00 45.65 ? 64 ASP E N 1 ATOM 3517 C CA . ASP E 1 64 ? 9.391 21.863 -7.555 1.00 48.15 ? 64 ASP E CA 1 ATOM 3518 C C . ASP E 1 64 ? 10.032 20.617 -8.177 1.00 48.58 ? 64 ASP E C 1 ATOM 3519 O O . ASP E 1 64 ? 11.126 20.217 -7.780 1.00 47.96 ? 64 ASP E O 1 ATOM 3520 C CB . ASP E 1 64 ? 9.488 23.048 -8.527 1.00 48.72 ? 64 ASP E CB 1 ATOM 3521 C CG . ASP E 1 64 ? 8.801 24.296 -7.994 1.00 51.09 ? 64 ASP E CG 1 ATOM 3522 O OD1 . ASP E 1 64 ? 7.846 24.159 -7.197 1.00 53.68 ? 64 ASP E OD1 1 ATOM 3523 O OD2 . ASP E 1 64 ? 9.203 25.415 -8.381 1.00 51.06 ? 64 ASP E OD2 1 ATOM 3524 N N . ASP E 1 65 ? 9.334 19.989 -9.123 1.00 49.74 ? 65 ASP E N 1 ATOM 3525 C CA . ASP E 1 65 ? 9.853 18.812 -9.838 1.00 51.32 ? 65 ASP E CA 1 ATOM 3526 C C . ASP E 1 65 ? 10.442 17.744 -8.920 1.00 50.64 ? 65 ASP E C 1 ATOM 3527 O O . ASP E 1 65 ? 11.542 17.235 -9.156 1.00 50.17 ? 65 ASP E O 1 ATOM 3528 C CB . ASP E 1 65 ? 10.927 19.271 -10.838 1.00 53.41 ? 65 ASP E CB 1 ATOM 3529 C CG . ASP E 1 65 ? 10.444 20.398 -11.734 1.00 56.00 ? 65 ASP E CG 1 ATOM 3530 O OD1 . ASP E 1 65 ? 9.281 20.329 -12.189 1.00 56.84 ? 65 ASP E OD1 1 ATOM 3531 O OD2 . ASP E 1 65 ? 11.225 21.346 -11.985 1.00 57.03 ? 65 ASP E OD2 1 ATOM 3532 N N . VAL E 1 66 ? 9.701 17.396 -7.881 1.00 50.24 ? 66 VAL E N 1 ATOM 3533 C CA . VAL E 1 66 ? 10.179 16.420 -6.930 1.00 50.58 ? 66 VAL E CA 1 ATOM 3534 C C . VAL E 1 66 ? 10.105 14.992 -7.455 1.00 51.27 ? 66 VAL E C 1 ATOM 3535 O O . VAL E 1 66 ? 9.042 14.542 -7.889 1.00 50.02 ? 66 VAL E O 1 ATOM 3536 C CB . VAL E 1 66 ? 9.347 16.495 -5.600 1.00 50.42 ? 66 VAL E CB 1 ATOM 3537 C CG1 . VAL E 1 66 ? 9.792 15.406 -4.634 1.00 51.39 ? 66 VAL E CG1 1 ATOM 3538 C CG2 . VAL E 1 66 ? 9.494 17.874 -4.966 1.00 49.71 ? 66 VAL E CG2 1 ATOM 3539 N N . THR E 1 67 ? 11.252 14.308 -7.467 1.00 51.75 ? 67 THR E N 1 ATOM 3540 C CA . THR E 1 67 ? 11.292 12.888 -7.824 1.00 52.24 ? 67 THR E CA 1 ATOM 3541 C C . THR E 1 67 ? 12.052 12.139 -6.716 1.00 52.61 ? 67 THR E C 1 ATOM 3542 O O . THR E 1 67 ? 12.421 12.726 -5.699 1.00 53.58 ? 67 THR E O 1 ATOM 3543 C CB . THR E 1 67 ? 12.024 12.607 -9.159 1.00 52.79 ? 67 THR E CB 1 ATOM 3544 O OG1 . THR E 1 67 ? 13.435 12.811 -9.003 1.00 54.08 ? 67 THR E OG1 1 ATOM 3545 C CG2 . THR E 1 67 ? 11.491 13.513 -10.256 1.00 51.42 ? 67 THR E CG2 1 ATOM 3546 N N . VAL E 1 68 ? 12.270 10.842 -6.911 1.00 52.98 ? 68 VAL E N 1 ATOM 3547 C CA . VAL E 1 68 ? 13.039 10.056 -5.951 1.00 51.53 ? 68 VAL E CA 1 ATOM 3548 C C . VAL E 1 68 ? 14.521 10.451 -6.027 1.00 51.17 ? 68 VAL E C 1 ATOM 3549 O O . VAL E 1 68 ? 15.270 10.281 -5.064 1.00 51.00 ? 68 VAL E O 1 ATOM 3550 C CB . VAL E 1 68 ? 12.928 8.528 -6.244 1.00 52.37 ? 68 VAL E CB 1 ATOM 3551 C CG1 . VAL E 1 68 ? 11.485 8.082 -6.058 1.00 51.75 ? 68 VAL E CG1 1 ATOM 3552 C CG2 . VAL E 1 68 ? 13.414 8.205 -7.652 1.00 50.67 ? 68 VAL E CG2 1 ATOM 3553 N N . GLY E 1 69 ? 14.913 11.004 -7.175 1.00 51.26 ? 69 GLY E N 1 ATOM 3554 C CA . GLY E 1 69 ? 16.296 11.391 -7.407 1.00 50.54 ? 69 GLY E CA 1 ATOM 3555 C C . GLY E 1 69 ? 16.647 12.771 -6.900 1.00 50.44 ? 69 GLY E C 1 ATOM 3556 O O . GLY E 1 69 ? 17.784 13.024 -6.503 1.00 52.44 ? 69 GLY E O 1 ATOM 3557 N N . GLY E 1 70 ? 15.670 13.671 -6.895 1.00 49.11 ? 70 GLY E N 1 ATOM 3558 C CA . GLY E 1 70 ? 15.929 15.022 -6.418 1.00 47.29 ? 70 GLY E CA 1 ATOM 3559 C C . GLY E 1 70 ? 14.797 16.002 -6.676 1.00 45.98 ? 70 GLY E C 1 ATOM 3560 O O . GLY E 1 70 ? 13.660 15.594 -6.927 1.00 46.26 ? 70 GLY E O 1 ATOM 3561 N N . PHE E 1 71 ? 15.101 17.295 -6.601 1.00 44.33 ? 71 PHE E N 1 ATOM 3562 C CA . PHE E 1 71 ? 14.097 18.326 -6.852 1.00 42.77 ? 71 PHE E CA 1 ATOM 3563 C C . PHE E 1 71 ? 14.725 19.690 -7.120 1.00 43.15 ? 71 PHE E C 1 ATOM 3564 O O . PHE E 1 71 ? 15.919 19.896 -6.888 1.00 43.49 ? 71 PHE E O 1 ATOM 3565 C CB . PHE E 1 71 ? 13.136 18.443 -5.646 1.00 41.86 ? 71 PHE E CB 1 ATOM 3566 C CG . PHE E 1 71 ? 13.723 19.150 -4.450 1.00 39.52 ? 71 PHE E CG 1 ATOM 3567 C CD1 . PHE E 1 71 ? 13.459 20.495 -4.213 1.00 39.40 ? 71 PHE E CD1 1 ATOM 3568 C CD2 . PHE E 1 71 ? 14.540 18.466 -3.564 1.00 39.33 ? 71 PHE E CD2 1 ATOM 3569 C CE1 . PHE E 1 71 ? 14.007 21.139 -3.108 1.00 39.80 ? 71 PHE E CE1 1 ATOM 3570 C CE2 . PHE E 1 71 ? 15.091 19.103 -2.461 1.00 39.18 ? 71 PHE E CE2 1 ATOM 3571 C CZ . PHE E 1 71 ? 14.825 20.439 -2.231 1.00 37.80 ? 71 PHE E CZ 1 ATOM 3572 N N . THR E 1 72 ? 13.922 20.613 -7.635 1.00 44.11 ? 72 THR E N 1 ATOM 3573 C CA . THR E 1 72 ? 14.405 21.966 -7.854 1.00 45.66 ? 72 THR E CA 1 ATOM 3574 C C . THR E 1 72 ? 14.005 22.842 -6.657 1.00 44.31 ? 72 THR E C 1 ATOM 3575 O O . THR E 1 72 ? 12.819 23.040 -6.369 1.00 42.61 ? 72 THR E O 1 ATOM 3576 C CB . THR E 1 72 ? 13.816 22.597 -9.145 1.00 47.57 ? 72 THR E CB 1 ATOM 3577 O OG1 . THR E 1 72 ? 14.043 21.710 -10.249 1.00 49.46 ? 72 THR E OG1 1 ATOM 3578 C CG2 . THR E 1 72 ? 14.486 23.943 -9.439 1.00 47.59 ? 72 THR E CG2 1 ATOM 3579 N N . LEU E 1 73 ? 15.020 23.316 -5.940 1.00 43.81 ? 73 LEU E N 1 ATOM 3580 C CA . LEU E 1 73 ? 14.827 24.218 -4.801 1.00 43.31 ? 73 LEU E CA 1 ATOM 3581 C C . LEU E 1 73 ? 14.550 25.623 -5.387 1.00 44.08 ? 73 LEU E C 1 ATOM 3582 O O . LEU E 1 73 ? 15.442 26.272 -5.940 1.00 43.02 ? 73 LEU E O 1 ATOM 3583 C CB . LEU E 1 73 ? 16.088 24.218 -3.929 1.00 40.86 ? 73 LEU E CB 1 ATOM 3584 C CG . LEU E 1 73 ? 16.117 25.083 -2.653 1.00 40.99 ? 73 LEU E CG 1 ATOM 3585 C CD1 . LEU E 1 73 ? 14.996 24.677 -1.701 1.00 38.00 ? 73 LEU E CD1 1 ATOM 3586 C CD2 . LEU E 1 73 ? 17.472 24.953 -1.972 1.00 36.98 ? 73 LEU E CD2 1 ATOM 3587 N N . HIS E 1 74 ? 13.304 26.077 -5.256 1.00 43.63 ? 74 HIS E N 1 ATOM 3588 C CA . HIS E 1 74 ? 12.887 27.358 -5.812 1.00 43.16 ? 74 HIS E CA 1 ATOM 3589 C C . HIS E 1 74 ? 12.676 28.488 -4.820 1.00 43.10 ? 74 HIS E C 1 ATOM 3590 O O . HIS E 1 74 ? 12.165 28.282 -3.713 1.00 43.67 ? 74 HIS E O 1 ATOM 3591 C CB . HIS E 1 74 ? 11.566 27.187 -6.593 1.00 43.69 ? 74 HIS E CB 1 ATOM 3592 C CG . HIS E 1 74 ? 10.987 28.478 -7.091 1.00 44.88 ? 74 HIS E CG 1 ATOM 3593 N ND1 . HIS E 1 74 ? 11.532 29.181 -8.146 1.00 44.77 ? 74 HIS E ND1 1 ATOM 3594 C CD2 . HIS E 1 74 ? 9.924 29.204 -6.665 1.00 44.99 ? 74 HIS E CD2 1 ATOM 3595 C CE1 . HIS E 1 74 ? 10.833 30.286 -8.345 1.00 45.45 ? 74 HIS E CE1 1 ATOM 3596 N NE2 . HIS E 1 74 ? 9.852 30.324 -7.458 1.00 45.29 ? 74 HIS E NE2 1 ATOM 3597 N N . TYR E 1 75 ? 13.083 29.680 -5.240 1.00 42.92 ? 75 TYR E N 1 ATOM 3598 C CA . TYR E 1 75 ? 12.865 30.895 -4.490 1.00 43.03 ? 75 TYR E CA 1 ATOM 3599 C C . TYR E 1 75 ? 12.507 32.045 -5.446 1.00 43.96 ? 75 TYR E C 1 ATOM 3600 O O . TYR E 1 75 ? 12.970 32.069 -6.589 1.00 45.07 ? 75 TYR E O 1 ATOM 3601 C CB . TYR E 1 75 ? 14.147 31.339 -3.733 1.00 42.31 ? 75 TYR E CB 1 ATOM 3602 C CG . TYR E 1 75 ? 14.206 32.836 -3.441 1.00 43.14 ? 75 TYR E CG 1 ATOM 3603 C CD1 . TYR E 1 75 ? 13.626 33.370 -2.294 1.00 41.95 ? 75 TYR E CD1 1 ATOM 3604 C CD2 . TYR E 1 75 ? 14.828 33.716 -4.333 1.00 42.89 ? 75 TYR E CD2 1 ATOM 3605 C CE1 . TYR E 1 75 ? 13.663 34.738 -2.037 1.00 41.68 ? 75 TYR E CE1 1 ATOM 3606 C CE2 . TYR E 1 75 ? 14.866 35.085 -4.086 1.00 42.87 ? 75 TYR E CE2 1 ATOM 3607 C CZ . TYR E 1 75 ? 14.281 35.586 -2.935 1.00 43.22 ? 75 TYR E CZ 1 ATOM 3608 O OH . TYR E 1 75 ? 14.323 36.935 -2.681 1.00 44.98 ? 75 TYR E OH 1 ATOM 3609 N N . ASN E 1 76 ? 11.633 32.941 -4.994 1.00 42.72 ? 76 ASN E N 1 ATOM 3610 C CA . ASN E 1 76 ? 11.446 34.187 -5.717 1.00 41.28 ? 76 ASN E CA 1 ATOM 3611 C C . ASN E 1 76 ? 10.790 35.300 -4.888 1.00 41.79 ? 76 ASN E C 1 ATOM 3612 O O . ASN E 1 76 ? 9.962 35.030 -4.014 1.00 40.75 ? 76 ASN E O 1 ATOM 3613 C CB . ASN E 1 76 ? 10.625 34.043 -7.006 1.00 38.88 ? 76 ASN E CB 1 ATOM 3614 C CG . ASN E 1 76 ? 9.156 33.816 -6.737 1.00 37.00 ? 76 ASN E CG 1 ATOM 3615 O OD1 . ASN E 1 76 ? 8.716 32.683 -6.547 1.00 40.36 ? 76 ASN E OD1 1 ATOM 3616 N ND2 . ASN E 1 76 ? 8.389 34.894 -6.701 1.00 37.59 ? 76 ASN E ND2 1 ATOM 3617 N N . SER E 1 77 ? 11.221 36.537 -5.131 1.00 41.89 ? 77 SER E N 1 ATOM 3618 C CA . SER E 1 77 ? 10.488 37.675 -4.585 1.00 43.22 ? 77 SER E CA 1 ATOM 3619 C C . SER E 1 77 ? 9.694 38.179 -5.818 1.00 43.30 ? 77 SER E C 1 ATOM 3620 O O . SER E 1 77 ? 9.676 37.518 -6.859 1.00 44.51 ? 77 SER E O 1 ATOM 3621 C CB . SER E 1 77 ? 11.404 38.783 -4.078 1.00 43.37 ? 77 SER E CB 1 ATOM 3622 O OG . SER E 1 77 ? 12.569 38.902 -4.867 1.00 51.10 ? 77 SER E OG 1 ATOM 3623 N N . TRP E 1 78 ? 9.010 39.309 -5.681 1.00 43.10 ? 78 TRP E N 1 ATOM 3624 C CA . TRP E 1 78 ? 8.286 39.879 -6.805 1.00 42.97 ? 78 TRP E CA 1 ATOM 3625 C C . TRP E 1 78 ? 8.010 41.367 -6.633 1.00 44.68 ? 78 TRP E C 1 ATOM 3626 O O . TRP E 1 78 ? 8.205 41.943 -5.552 1.00 42.91 ? 78 TRP E O 1 ATOM 3627 C CB . TRP E 1 78 ? 7.011 39.096 -7.122 1.00 41.27 ? 78 TRP E CB 1 ATOM 3628 C CG . TRP E 1 78 ? 5.938 39.112 -6.074 1.00 42.06 ? 78 TRP E CG 1 ATOM 3629 C CD1 . TRP E 1 78 ? 4.824 39.906 -6.051 1.00 41.28 ? 78 TRP E CD1 1 ATOM 3630 C CD2 . TRP E 1 78 ? 5.861 38.284 -4.909 1.00 41.32 ? 78 TRP E CD2 1 ATOM 3631 N NE1 . TRP E 1 78 ? 4.057 39.617 -4.951 1.00 41.20 ? 78 TRP E NE1 1 ATOM 3632 C CE2 . TRP E 1 78 ? 4.672 38.627 -4.230 1.00 42.32 ? 78 TRP E CE2 1 ATOM 3633 C CE3 . TRP E 1 78 ? 6.681 37.283 -4.373 1.00 40.78 ? 78 TRP E CE3 1 ATOM 3634 C CZ2 . TRP E 1 78 ? 4.283 38.005 -3.040 1.00 42.24 ? 78 TRP E CZ2 1 ATOM 3635 C CZ3 . TRP E 1 78 ? 6.292 36.663 -3.195 1.00 41.07 ? 78 TRP E CZ3 1 ATOM 3636 C CH2 . TRP E 1 78 ? 5.103 37.029 -2.539 1.00 41.39 ? 78 TRP E CH2 1 ATOM 3637 N N . TYR E 1 79 ? 7.560 41.977 -7.722 1.00 46.87 ? 79 TYR E N 1 ATOM 3638 C CA . TYR E 1 79 ? 7.302 43.396 -7.780 1.00 46.65 ? 79 TYR E CA 1 ATOM 3639 C C . TYR E 1 79 ? 8.512 44.225 -7.341 1.00 46.52 ? 79 TYR E C 1 ATOM 3640 O O . TYR E 1 79 ? 9.634 43.993 -7.806 1.00 47.61 ? 79 TYR E O 1 ATOM 3641 C CB . TYR E 1 79 ? 6.058 43.782 -6.986 1.00 49.42 ? 79 TYR E CB 1 ATOM 3642 C CG . TYR E 1 79 ? 5.466 45.095 -7.430 1.00 54.63 ? 79 TYR E CG 1 ATOM 3643 C CD1 . TYR E 1 79 ? 5.048 45.277 -8.745 1.00 56.17 ? 79 TYR E CD1 1 ATOM 3644 C CD2 . TYR E 1 79 ? 5.332 46.161 -6.542 1.00 56.12 ? 79 TYR E CD2 1 ATOM 3645 C CE1 . TYR E 1 79 ? 4.515 46.480 -9.168 1.00 58.42 ? 79 TYR E CE1 1 ATOM 3646 C CE2 . TYR E 1 79 ? 4.798 47.371 -6.957 1.00 58.32 ? 79 TYR E CE2 1 ATOM 3647 C CZ . TYR E 1 79 ? 4.391 47.522 -8.274 1.00 59.37 ? 79 TYR E CZ 1 ATOM 3648 O OH . TYR E 1 79 ? 3.856 48.711 -8.707 1.00 60.81 ? 79 TYR E OH 1 ATOM 3649 N N . THR E 1 80 ? 8.303 45.149 -6.414 1.00 45.79 ? 80 THR E N 1 ATOM 3650 C CA . THR E 1 80 ? 9.362 46.079 -6.024 1.00 44.86 ? 80 THR E CA 1 ATOM 3651 C C . THR E 1 80 ? 10.184 45.684 -4.824 1.00 44.39 ? 80 THR E C 1 ATOM 3652 O O . THR E 1 80 ? 10.993 46.472 -4.333 1.00 45.47 ? 80 THR E O 1 ATOM 3653 C CB . THR E 1 80 ? 8.730 47.467 -5.739 1.00 44.91 ? 80 THR E CB 1 ATOM 3654 O OG1 . THR E 1 80 ? 7.635 47.302 -4.823 1.00 45.06 ? 80 THR E OG1 1 ATOM 3655 C CG2 . THR E 1 80 ? 8.215 48.110 -7.025 1.00 43.10 ? 80 THR E CG2 1 ATOM 3656 N N . THR E 1 81 ? 9.999 44.458 -4.360 1.00 42.55 ? 81 THR E N 1 ATOM 3657 C CA . THR E 1 81 ? 10.693 44.023 -3.171 1.00 41.20 ? 81 THR E CA 1 ATOM 3658 C C . THR E 1 81 ? 12.188 43.889 -3.377 1.00 42.62 ? 81 THR E C 1 ATOM 3659 O O . THR E 1 81 ? 12.628 43.339 -4.389 1.00 41.73 ? 81 THR E O 1 ATOM 3660 C CB . THR E 1 81 ? 10.132 42.671 -2.668 1.00 39.92 ? 81 THR E CB 1 ATOM 3661 O OG1 . THR E 1 81 ? 8.819 42.872 -2.130 1.00 37.03 ? 81 THR E OG1 1 ATOM 3662 C CG2 . THR E 1 81 ? 11.028 42.091 -1.584 1.00 37.87 ? 81 THR E CG2 1 ATOM 3663 N N . THR E 1 82 ? 12.966 44.428 -2.443 1.00 42.36 ? 82 THR E N 1 ATOM 3664 C CA . THR E 1 82 ? 14.412 44.283 -2.513 1.00 44.47 ? 82 THR E CA 1 ATOM 3665 C C . THR E 1 82 ? 14.920 43.366 -1.402 1.00 43.58 ? 82 THR E C 1 ATOM 3666 O O . THR E 1 82 ? 14.787 43.668 -0.211 1.00 42.44 ? 82 THR E O 1 ATOM 3667 C CB . THR E 1 82 ? 15.153 45.621 -2.388 1.00 45.93 ? 82 THR E CB 1 ATOM 3668 O OG1 . THR E 1 82 ? 14.857 46.428 -3.534 1.00 48.49 ? 82 THR E OG1 1 ATOM 3669 C CG2 . THR E 1 82 ? 16.659 45.392 -2.325 1.00 46.01 ? 82 THR E CG2 1 ATOM 3670 N N . VAL E 1 83 ? 15.498 42.239 -1.807 1.00 42.64 ? 83 VAL E N 1 ATOM 3671 C CA . VAL E 1 83 ? 16.056 41.283 -0.860 1.00 42.59 ? 83 VAL E CA 1 ATOM 3672 C C . VAL E 1 83 ? 17.588 41.346 -0.929 1.00 43.11 ? 83 VAL E C 1 ATOM 3673 O O . VAL E 1 83 ? 18.170 41.291 -2.008 1.00 43.96 ? 83 VAL E O 1 ATOM 3674 C CB . VAL E 1 83 ? 15.577 39.853 -1.168 1.00 42.04 ? 83 VAL E CB 1 ATOM 3675 C CG1 . VAL E 1 83 ? 16.117 38.892 -0.122 1.00 41.94 ? 83 VAL E CG1 1 ATOM 3676 C CG2 . VAL E 1 83 ? 14.053 39.819 -1.195 1.00 41.95 ? 83 VAL E CG2 1 ATOM 3677 N N . TRP E 1 84 ? 18.228 41.466 0.230 1.00 42.39 ? 84 TRP E N 1 ATOM 3678 C CA . TRP E 1 84 ? 19.683 41.576 0.306 1.00 43.00 ? 84 TRP E CA 1 ATOM 3679 C C . TRP E 1 84 ? 20.410 40.252 0.538 1.00 43.89 ? 84 TRP E C 1 ATOM 3680 O O . TRP E 1 84 ? 21.473 40.021 -0.040 1.00 44.43 ? 84 TRP E O 1 ATOM 3681 C CB . TRP E 1 84 ? 20.068 42.569 1.400 1.00 43.37 ? 84 TRP E CB 1 ATOM 3682 C CG . TRP E 1 84 ? 19.604 43.974 1.148 1.00 46.06 ? 84 TRP E CG 1 ATOM 3683 C CD1 . TRP E 1 84 ? 18.767 44.713 1.934 1.00 45.99 ? 84 TRP E CD1 1 ATOM 3684 C CD2 . TRP E 1 84 ? 19.961 44.819 0.040 1.00 47.15 ? 84 TRP E CD2 1 ATOM 3685 N NE1 . TRP E 1 84 ? 18.580 45.963 1.393 1.00 45.70 ? 84 TRP E NE1 1 ATOM 3686 C CE2 . TRP E 1 84 ? 19.300 46.055 0.231 1.00 47.06 ? 84 TRP E CE2 1 ATOM 3687 C CE3 . TRP E 1 84 ? 20.774 44.654 -1.092 1.00 47.17 ? 84 TRP E CE3 1 ATOM 3688 C CZ2 . TRP E 1 84 ? 19.426 47.119 -0.665 1.00 46.97 ? 84 TRP E CZ2 1 ATOM 3689 C CZ3 . TRP E 1 84 ? 20.898 45.716 -1.985 1.00 46.52 ? 84 TRP E CZ3 1 ATOM 3690 C CH2 . TRP E 1 84 ? 20.227 46.932 -1.764 1.00 47.15 ? 84 TRP E CH2 1 ATOM 3691 N N . ASN E 1 85 ? 19.860 39.407 1.412 1.00 43.12 ? 85 ASN E N 1 ATOM 3692 C CA . ASN E 1 85 ? 20.421 38.080 1.679 1.00 41.28 ? 85 ASN E CA 1 ATOM 3693 C C . ASN E 1 85 ? 19.302 37.138 2.115 1.00 41.03 ? 85 ASN E C 1 ATOM 3694 O O . ASN E 1 85 ? 18.255 37.589 2.585 1.00 40.29 ? 85 ASN E O 1 ATOM 3695 C CB . ASN E 1 85 ? 21.451 38.119 2.832 1.00 42.36 ? 85 ASN E CB 1 ATOM 3696 C CG . ASN E 1 85 ? 22.551 39.140 2.609 1.00 43.83 ? 85 ASN E CG 1 ATOM 3697 O OD1 . ASN E 1 85 ? 23.412 38.973 1.747 1.00 45.43 ? 85 ASN E OD1 1 ATOM 3698 N ND2 . ASN E 1 85 ? 22.518 40.212 3.391 1.00 43.21 ? 85 ASN E ND2 1 ATOM 3699 N N . TYR E 1 86 ? 19.500 35.837 1.928 1.00 39.96 ? 86 TYR E N 1 ATOM 3700 C CA . TYR E 1 86 ? 18.544 34.870 2.448 1.00 38.97 ? 86 TYR E CA 1 ATOM 3701 C C . TYR E 1 86 ? 19.141 33.478 2.468 1.00 38.77 ? 86 TYR E C 1 ATOM 3702 O O . TYR E 1 86 ? 20.084 33.198 1.734 1.00 38.26 ? 86 TYR E O 1 ATOM 3703 C CB . TYR E 1 86 ? 17.235 34.852 1.643 1.00 36.76 ? 86 TYR E CB 1 ATOM 3704 C CG . TYR E 1 86 ? 17.373 34.386 0.219 1.00 38.75 ? 86 TYR E CG 1 ATOM 3705 C CD1 . TYR E 1 86 ? 17.146 33.054 -0.132 1.00 38.00 ? 86 TYR E CD1 1 ATOM 3706 C CD2 . TYR E 1 86 ? 17.740 35.276 -0.786 1.00 40.42 ? 86 TYR E CD2 1 ATOM 3707 C CE1 . TYR E 1 86 ? 17.274 32.628 -1.438 1.00 38.53 ? 86 TYR E CE1 1 ATOM 3708 C CE2 . TYR E 1 86 ? 17.871 34.854 -2.101 1.00 39.88 ? 86 TYR E CE2 1 ATOM 3709 C CZ . TYR E 1 86 ? 17.635 33.529 -2.419 1.00 39.71 ? 86 TYR E CZ 1 ATOM 3710 O OH . TYR E 1 86 ? 17.760 33.097 -3.721 1.00 41.22 ? 86 TYR E OH 1 ATOM 3711 N N . LYS E 1 87 ? 18.621 32.621 3.343 1.00 37.99 ? 87 LYS E N 1 ATOM 3712 C CA . LYS E 1 87 ? 19.040 31.232 3.370 1.00 37.28 ? 87 LYS E CA 1 ATOM 3713 C C . LYS E 1 87 ? 17.789 30.359 3.346 1.00 38.41 ? 87 LYS E C 1 ATOM 3714 O O . LYS E 1 87 ? 16.883 30.541 4.164 1.00 39.35 ? 87 LYS E O 1 ATOM 3715 C CB . LYS E 1 87 ? 19.862 30.893 4.617 1.00 36.76 ? 87 LYS E CB 1 ATOM 3716 C CG . LYS E 1 87 ? 20.360 29.446 4.632 1.00 37.29 ? 87 LYS E CG 1 ATOM 3717 C CD . LYS E 1 87 ? 21.124 29.111 5.905 1.00 38.33 ? 87 LYS E CD 1 ATOM 3718 C CE . LYS E 1 87 ? 20.213 29.156 7.120 1.00 39.32 ? 87 LYS E CE 1 ATOM 3719 N NZ . LYS E 1 87 ? 20.974 29.125 8.397 1.00 40.23 ? 87 LYS E NZ 1 ATOM 3720 N N . LEU E 1 88 ? 17.719 29.437 2.393 1.00 37.95 ? 88 LEU E N 1 ATOM 3721 C CA . LEU E 1 88 ? 16.586 28.532 2.353 1.00 38.13 ? 88 LEU E CA 1 ATOM 3722 C C . LEU E 1 88 ? 16.910 27.268 3.149 1.00 37.62 ? 88 LEU E C 1 ATOM 3723 O O . LEU E 1 88 ? 18.073 26.883 3.274 1.00 37.35 ? 88 LEU E O 1 ATOM 3724 C CB . LEU E 1 88 ? 16.264 28.112 0.901 1.00 38.57 ? 88 LEU E CB 1 ATOM 3725 C CG . LEU E 1 88 ? 16.010 29.255 -0.087 1.00 38.45 ? 88 LEU E CG 1 ATOM 3726 C CD1 . LEU E 1 88 ? 15.952 28.719 -1.508 1.00 38.88 ? 88 LEU E CD1 1 ATOM 3727 C CD2 . LEU E 1 88 ? 14.720 29.963 0.273 1.00 38.15 ? 88 LEU E CD2 1 ATOM 3728 N N . ILE E 1 89 ? 15.881 26.679 3.750 1.00 35.33 ? 89 ILE E N 1 ATOM 3729 C CA . ILE E 1 89 ? 16.043 25.397 4.409 1.00 34.19 ? 89 ILE E CA 1 ATOM 3730 C C . ILE E 1 89 ? 14.987 24.482 3.784 1.00 33.81 ? 89 ILE E C 1 ATOM 3731 O O . ILE E 1 89 ? 13.928 24.943 3.362 1.00 34.27 ? 89 ILE E O 1 ATOM 3732 C CB . ILE E 1 89 ? 15.828 25.435 5.936 1.00 36.02 ? 89 ILE E CB 1 ATOM 3733 C CG1 . ILE E 1 89 ? 14.387 25.816 6.273 1.00 34.54 ? 89 ILE E CG1 1 ATOM 3734 C CG2 . ILE E 1 89 ? 16.793 26.427 6.562 1.00 34.23 ? 89 ILE E CG2 1 ATOM 3735 C CD1 . ILE E 1 89 ? 13.971 25.399 7.659 1.00 34.55 ? 89 ILE E CD1 1 ATOM 3736 N N . TRP E 1 90 ? 15.297 23.197 3.684 1.00 33.15 ? 90 TRP E N 1 ATOM 3737 C CA . TRP E 1 90 ? 14.348 22.243 3.157 1.00 32.69 ? 90 TRP E CA 1 ATOM 3738 C C . TRP E 1 90 ? 14.535 20.884 3.818 1.00 32.98 ? 90 TRP E C 1 ATOM 3739 O O . TRP E 1 90 ? 15.626 20.540 4.285 1.00 33.91 ? 90 TRP E O 1 ATOM 3740 C CB . TRP E 1 90 ? 14.509 22.081 1.634 1.00 34.36 ? 90 TRP E CB 1 ATOM 3741 C CG . TRP E 1 90 ? 15.877 21.616 1.232 1.00 33.99 ? 90 TRP E CG 1 ATOM 3742 C CD1 . TRP E 1 90 ? 16.941 22.398 0.908 1.00 34.75 ? 90 TRP E CD1 1 ATOM 3743 C CD2 . TRP E 1 90 ? 16.330 20.262 1.146 1.00 34.51 ? 90 TRP E CD2 1 ATOM 3744 N NE1 . TRP E 1 90 ? 18.034 21.618 0.621 1.00 36.21 ? 90 TRP E NE1 1 ATOM 3745 C CE2 . TRP E 1 90 ? 17.687 20.301 0.759 1.00 35.62 ? 90 TRP E CE2 1 ATOM 3746 C CE3 . TRP E 1 90 ? 15.723 19.016 1.357 1.00 34.36 ? 90 TRP E CE3 1 ATOM 3747 C CZ2 . TRP E 1 90 ? 18.449 19.144 0.579 1.00 36.43 ? 90 TRP E CZ2 1 ATOM 3748 C CZ3 . TRP E 1 90 ? 16.482 17.863 1.180 1.00 36.02 ? 90 TRP E CZ3 1 ATOM 3749 C CH2 . TRP E 1 90 ? 17.830 17.935 0.794 1.00 35.85 ? 90 TRP E CH2 1 ATOM 3750 N N . ILE E 1 91 ? 13.439 20.138 3.892 1.00 33.69 ? 91 ILE E N 1 ATOM 3751 C CA . ILE E 1 91 ? 13.457 18.780 4.401 1.00 33.92 ? 91 ILE E CA 1 ATOM 3752 C C . ILE E 1 91 ? 12.548 17.925 3.519 1.00 34.76 ? 91 ILE E C 1 ATOM 3753 O O . ILE E 1 91 ? 11.443 18.336 3.151 1.00 35.58 ? 91 ILE E O 1 ATOM 3754 C CB . ILE E 1 91 ? 13.029 18.683 5.894 1.00 33.68 ? 91 ILE E CB 1 ATOM 3755 C CG1 . ILE E 1 91 ? 13.006 17.211 6.334 1.00 32.73 ? 91 ILE E CG1 1 ATOM 3756 C CG2 . ILE E 1 91 ? 11.688 19.359 6.112 1.00 32.18 ? 91 ILE E CG2 1 ATOM 3757 C CD1 . ILE E 1 91 ? 13.074 17.034 7.842 1.00 30.01 ? 91 ILE E CD1 1 ATOM 3758 N N . ALA E 1 92 ? 13.058 16.751 3.152 1.00 35.88 ? 92 ALA E N 1 ATOM 3759 C CA . ALA E 1 92 ? 12.329 15.798 2.330 1.00 36.90 ? 92 ALA E CA 1 ATOM 3760 C C . ALA E 1 92 ? 12.226 14.464 3.048 1.00 37.79 ? 92 ALA E C 1 ATOM 3761 O O . ALA E 1 92 ? 13.244 13.900 3.448 1.00 36.39 ? 92 ALA E O 1 ATOM 3762 C CB . ALA E 1 92 ? 13.059 15.583 0.997 1.00 37.70 ? 92 ALA E CB 1 ATOM 3763 N N . CYS E 1 93 ? 11.001 13.981 3.237 1.00 37.78 ? 93 CYS E N 1 ATOM 3764 C CA . CYS E 1 93 ? 10.791 12.669 3.840 1.00 38.66 ? 93 CYS E CA 1 ATOM 3765 C C . CYS E 1 93 ? 9.794 11.858 3.016 1.00 40.00 ? 93 CYS E C 1 ATOM 3766 O O . CYS E 1 93 ? 8.843 12.416 2.468 1.00 39.36 ? 93 CYS E O 1 ATOM 3767 C CB . CYS E 1 93 ? 10.240 12.764 5.264 1.00 37.72 ? 93 CYS E CB 1 ATOM 3768 S SG . CYS E 1 93 ? 11.160 13.855 6.397 1.00 39.26 ? 93 CYS E SG 1 ATOM 3769 N N . ASP E 1 94 ? 10.034 10.551 2.907 1.00 41.62 ? 94 ASP E N 1 ATOM 3770 C CA . ASP E 1 94 ? 9.094 9.665 2.221 1.00 43.11 ? 94 ASP E CA 1 ATOM 3771 C C . ASP E 1 94 ? 8.242 8.909 3.273 1.00 43.57 ? 94 ASP E C 1 ATOM 3772 O O . ASP E 1 94 ? 8.054 9.419 4.393 1.00 43.22 ? 94 ASP E O 1 ATOM 3773 C CB . ASP E 1 94 ? 9.812 8.680 1.288 1.00 44.25 ? 94 ASP E CB 1 ATOM 3774 C CG . ASP E 1 94 ? 10.658 7.636 2.023 1.00 46.60 ? 94 ASP E CG 1 ATOM 3775 O OD1 . ASP E 1 94 ? 10.868 7.738 3.251 1.00 47.92 ? 94 ASP E OD1 1 ATOM 3776 O OD2 . ASP E 1 94 ? 11.129 6.697 1.342 1.00 48.50 ? 94 ASP E OD2 1 ATOM 3777 O OXT . ASP E 1 94 ? 7.732 7.817 2.993 1.00 43.66 ? 94 ASP E OXT 1 ATOM 3778 N N . ARG F 1 1 ? 18.375 -7.214 5.608 1.00 45.13 ? 1 ARG F N 1 ATOM 3779 C CA . ARG F 1 1 ? 18.649 -6.281 4.490 1.00 45.79 ? 1 ARG F CA 1 ATOM 3780 C C . ARG F 1 1 ? 18.950 -4.878 5.008 1.00 46.19 ? 1 ARG F C 1 ATOM 3781 O O . ARG F 1 1 ? 18.630 -4.533 6.147 1.00 45.43 ? 1 ARG F O 1 ATOM 3782 C CB . ARG F 1 1 ? 17.443 -6.235 3.543 1.00 45.56 ? 1 ARG F CB 1 ATOM 3783 C CG . ARG F 1 1 ? 16.298 -5.343 3.995 1.00 46.20 ? 1 ARG F CG 1 ATOM 3784 C CD . ARG F 1 1 ? 15.169 -5.398 2.984 1.00 47.52 ? 1 ARG F CD 1 ATOM 3785 N NE . ARG F 1 1 ? 14.008 -4.589 3.352 1.00 50.40 ? 1 ARG F NE 1 ATOM 3786 C CZ . ARG F 1 1 ? 13.126 -4.898 4.304 1.00 50.84 ? 1 ARG F CZ 1 ATOM 3787 N NH1 . ARG F 1 1 ? 13.247 -6.016 5.015 1.00 49.94 ? 1 ARG F NH1 1 ATOM 3788 N NH2 . ARG F 1 1 ? 12.105 -4.083 4.536 1.00 50.50 ? 1 ARG F NH2 1 ATOM 3789 N N . LEU F 1 2 ? 19.592 -4.078 4.164 1.00 46.98 ? 2 LEU F N 1 ATOM 3790 C CA . LEU F 1 2 ? 19.900 -2.704 4.516 1.00 47.57 ? 2 LEU F CA 1 ATOM 3791 C C . LEU F 1 2 ? 18.759 -1.765 4.110 1.00 47.10 ? 2 LEU F C 1 ATOM 3792 O O . LEU F 1 2 ? 18.277 -1.821 2.982 1.00 46.27 ? 2 LEU F O 1 ATOM 3793 C CB . LEU F 1 2 ? 21.187 -2.242 3.809 1.00 49.83 ? 2 LEU F CB 1 ATOM 3794 C CG . LEU F 1 2 ? 22.520 -2.638 4.469 1.00 52.52 ? 2 LEU F CG 1 ATOM 3795 C CD1 . LEU F 1 2 ? 23.673 -2.354 3.522 1.00 53.08 ? 2 LEU F CD1 1 ATOM 3796 C CD2 . LEU F 1 2 ? 22.702 -1.880 5.781 1.00 53.13 ? 2 LEU F CD2 1 ATOM 3797 N N . ILE F 1 3 ? 18.292 -0.944 5.047 1.00 46.80 ? 3 ILE F N 1 ATOM 3798 C CA . ILE F 1 3 ? 17.284 0.050 4.709 1.00 46.25 ? 3 ILE F CA 1 ATOM 3799 C C . ILE F 1 3 ? 17.613 1.407 5.328 1.00 45.94 ? 3 ILE F C 1 ATOM 3800 O O . ILE F 1 3 ? 18.311 1.492 6.346 1.00 45.04 ? 3 ILE F O 1 ATOM 3801 C CB . ILE F 1 3 ? 15.852 -0.328 5.159 1.00 46.83 ? 3 ILE F CB 1 ATOM 3802 C CG1 . ILE F 1 3 ? 15.791 -0.470 6.676 1.00 47.60 ? 3 ILE F CG1 1 ATOM 3803 C CG2 . ILE F 1 3 ? 15.414 -1.605 4.477 1.00 46.33 ? 3 ILE F CG2 1 ATOM 3804 C CD1 . ILE F 1 3 ? 14.380 -0.608 7.200 1.00 48.69 ? 3 ILE F CD1 1 ATOM 3805 N N . HIS F 1 4 ? 17.103 2.459 4.691 1.00 46.18 ? 4 HIS F N 1 ATOM 3806 C CA . HIS F 1 4 ? 17.272 3.821 5.165 1.00 46.94 ? 4 HIS F CA 1 ATOM 3807 C C . HIS F 1 4 ? 16.080 4.281 6.005 1.00 46.37 ? 4 HIS F C 1 ATOM 3808 O O . HIS F 1 4 ? 14.952 4.371 5.514 1.00 46.76 ? 4 HIS F O 1 ATOM 3809 C CB . HIS F 1 4 ? 17.432 4.777 3.980 1.00 49.75 ? 4 HIS F CB 1 ATOM 3810 C CG . HIS F 1 4 ? 18.743 4.642 3.274 1.00 55.07 ? 4 HIS F CG 1 ATOM 3811 N ND1 . HIS F 1 4 ? 19.869 5.345 3.650 1.00 57.19 ? 4 HIS F ND1 1 ATOM 3812 C CD2 . HIS F 1 4 ? 19.113 3.876 2.219 1.00 56.84 ? 4 HIS F CD2 1 ATOM 3813 C CE1 . HIS F 1 4 ? 20.875 5.020 2.855 1.00 59.05 ? 4 HIS F CE1 1 ATOM 3814 N NE2 . HIS F 1 4 ? 20.442 4.131 1.978 1.00 59.44 ? 4 HIS F NE2 1 ATOM 3815 N N . VAL F 1 5 ? 16.331 4.536 7.283 1.00 45.25 ? 5 VAL F N 1 ATOM 3816 C CA . VAL F 1 5 ? 15.291 5.066 8.147 1.00 45.01 ? 5 VAL F CA 1 ATOM 3817 C C . VAL F 1 5 ? 15.855 6.261 8.905 1.00 43.97 ? 5 VAL F C 1 ATOM 3818 O O . VAL F 1 5 ? 17.069 6.379 9.084 1.00 44.89 ? 5 VAL F O 1 ATOM 3819 C CB . VAL F 1 5 ? 14.799 4.034 9.195 1.00 44.46 ? 5 VAL F CB 1 ATOM 3820 C CG1 . VAL F 1 5 ? 14.256 2.813 8.494 1.00 44.99 ? 5 VAL F CG1 1 ATOM 3821 C CG2 . VAL F 1 5 ? 15.926 3.654 10.136 1.00 47.59 ? 5 VAL F CG2 1 ATOM 3822 N N . SER F 1 6 ? 14.970 7.166 9.300 1.00 41.50 ? 6 SER F N 1 ATOM 3823 C CA . SER F 1 6 ? 15.391 8.280 10.114 1.00 39.20 ? 6 SER F CA 1 ATOM 3824 C C . SER F 1 6 ? 14.615 8.305 11.432 1.00 38.43 ? 6 SER F C 1 ATOM 3825 O O . SER F 1 6 ? 13.499 7.789 11.527 1.00 38.23 ? 6 SER F O 1 ATOM 3826 C CB . SER F 1 6 ? 15.104 9.641 9.421 1.00 37.75 ? 6 SER F CB 1 ATOM 3827 O OG . SER F 1 6 ? 15.715 9.713 8.147 1.00 35.09 ? 6 SER F OG 1 ATOM 3828 N N . ARG F 1 7 ? 15.298 8.832 12.445 1.00 37.89 ? 7 ARG F N 1 ATOM 3829 C CA . ARG F 1 7 ? 14.634 9.196 13.685 1.00 37.61 ? 7 ARG F CA 1 ATOM 3830 C C . ARG F 1 7 ? 14.674 10.754 13.636 1.00 36.75 ? 7 ARG F C 1 ATOM 3831 O O . ARG F 1 7 ? 15.678 11.338 13.227 1.00 35.35 ? 7 ARG F O 1 ATOM 3832 C CB . ARG F 1 7 ? 15.389 8.749 14.930 1.00 39.17 ? 7 ARG F CB 1 ATOM 3833 C CG . ARG F 1 7 ? 14.928 9.402 16.237 1.00 41.17 ? 7 ARG F CG 1 ATOM 3834 C CD . ARG F 1 7 ? 15.963 9.164 17.329 1.00 42.94 ? 7 ARG F CD 1 ATOM 3835 N NE . ARG F 1 7 ? 15.698 9.942 18.538 1.00 46.03 ? 7 ARG F NE 1 ATOM 3836 C CZ . ARG F 1 7 ? 16.559 10.065 19.543 1.00 46.96 ? 7 ARG F CZ 1 ATOM 3837 N NH1 . ARG F 1 7 ? 17.740 9.461 19.481 1.00 47.86 ? 7 ARG F NH1 1 ATOM 3838 N NH2 . ARG F 1 7 ? 16.244 10.796 20.603 1.00 47.31 ? 7 ARG F NH2 1 ATOM 3839 N N . CYS F 1 8 ? 13.567 11.403 13.987 1.00 36.20 ? 8 CYS F N 1 ATOM 3840 C CA . CYS F 1 8 ? 13.562 12.846 14.080 1.00 35.44 ? 8 CYS F CA 1 ATOM 3841 C C . CYS F 1 8 ? 13.113 13.316 15.457 1.00 35.49 ? 8 CYS F C 1 ATOM 3842 O O . CYS F 1 8 ? 12.285 12.683 16.115 1.00 35.43 ? 8 CYS F O 1 ATOM 3843 C CB . CYS F 1 8 ? 12.621 13.497 13.065 1.00 35.45 ? 8 CYS F CB 1 ATOM 3844 S SG . CYS F 1 8 ? 12.983 13.129 11.317 1.00 39.82 ? 8 CYS F SG 1 ATOM 3845 N N . GLU F 1 9 ? 13.723 14.417 15.880 1.00 35.84 ? 9 GLU F N 1 ATOM 3846 C CA . GLU F 1 9 ? 13.320 15.111 17.088 1.00 36.77 ? 9 GLU F CA 1 ATOM 3847 C C . GLU F 1 9 ? 13.062 16.539 16.595 1.00 35.28 ? 9 GLU F C 1 ATOM 3848 O O . GLU F 1 9 ? 13.651 16.982 15.618 1.00 33.89 ? 9 GLU F O 1 ATOM 3849 C CB . GLU F 1 9 ? 14.409 15.141 18.171 1.00 37.75 ? 9 GLU F CB 1 ATOM 3850 C CG . GLU F 1 9 ? 14.871 13.768 18.671 1.00 39.77 ? 9 GLU F CG 1 ATOM 3851 C CD . GLU F 1 9 ? 13.766 12.941 19.309 1.00 44.05 ? 9 GLU F CD 1 ATOM 3852 O OE1 . GLU F 1 9 ? 12.703 13.515 19.642 1.00 44.86 ? 9 GLU F OE1 1 ATOM 3853 O OE2 . GLU F 1 9 ? 13.961 11.716 19.488 1.00 45.48 ? 9 GLU F OE2 1 ATOM 3854 N N . MET F 1 10 ? 12.161 17.251 17.248 1.00 35.46 ? 10 MET F N 1 ATOM 3855 C CA . MET F 1 10 ? 11.921 18.621 16.844 1.00 37.11 ? 10 MET F CA 1 ATOM 3856 C C . MET F 1 10 ? 11.475 19.419 18.047 1.00 36.76 ? 10 MET F C 1 ATOM 3857 O O . MET F 1 10 ? 11.122 18.845 19.076 1.00 38.57 ? 10 MET F O 1 ATOM 3858 C CB . MET F 1 10 ? 10.880 18.684 15.724 1.00 37.55 ? 10 MET F CB 1 ATOM 3859 C CG . MET F 1 10 ? 9.509 18.221 16.133 1.00 38.44 ? 10 MET F CG 1 ATOM 3860 S SD . MET F 1 10 ? 8.362 18.175 14.736 1.00 40.85 ? 10 MET F SD 1 ATOM 3861 C CE . MET F 1 10 ? 8.584 16.500 14.204 1.00 34.23 ? 10 MET F CE 1 ATOM 3862 N N . GLY F 1 11 ? 11.520 20.741 17.926 1.00 35.20 ? 11 GLY F N 1 ATOM 3863 C CA . GLY F 1 11 ? 11.118 21.591 19.023 1.00 35.66 ? 11 GLY F CA 1 ATOM 3864 C C . GLY F 1 11 ? 11.012 23.051 18.633 1.00 37.32 ? 11 GLY F C 1 ATOM 3865 O O . GLY F 1 11 ? 11.375 23.436 17.519 1.00 38.52 ? 11 GLY F O 1 ATOM 3866 N N . THR F 1 12 ? 10.489 23.867 19.545 1.00 37.31 ? 12 THR F N 1 ATOM 3867 C CA . THR F 1 12 ? 10.360 25.298 19.310 1.00 37.40 ? 12 THR F CA 1 ATOM 3868 C C . THR F 1 12 ? 10.881 26.078 20.520 1.00 38.34 ? 12 THR F C 1 ATOM 3869 O O . THR F 1 12 ? 11.017 25.522 21.610 1.00 39.50 ? 12 THR F O 1 ATOM 3870 C CB . THR F 1 12 ? 8.884 25.726 19.042 1.00 37.20 ? 12 THR F CB 1 ATOM 3871 O OG1 . THR F 1 12 ? 8.119 25.623 20.247 1.00 38.80 ? 12 THR F OG1 1 ATOM 3872 C CG2 . THR F 1 12 ? 8.258 24.850 17.971 1.00 35.28 ? 12 THR F CG2 1 ATOM 3873 N N . SER F 1 13 ? 11.184 27.359 20.325 1.00 38.90 ? 13 SER F N 1 ATOM 3874 C CA . SER F 1 13 ? 11.678 28.201 21.419 1.00 39.29 ? 13 SER F CA 1 ATOM 3875 C C . SER F 1 13 ? 11.198 29.640 21.241 1.00 39.59 ? 13 SER F C 1 ATOM 3876 O O . SER F 1 13 ? 11.597 30.342 20.303 1.00 37.25 ? 13 SER F O 1 ATOM 3877 C CB . SER F 1 13 ? 13.206 28.129 21.489 1.00 40.51 ? 13 SER F CB 1 ATOM 3878 O OG . SER F 1 13 ? 13.698 28.918 22.552 1.00 43.23 ? 13 SER F OG 1 ATOM 3879 N N . THR F 1 14 ? 10.346 30.072 22.171 1.00 39.75 ? 14 THR F N 1 ATOM 3880 C CA . THR F 1 14 ? 9.739 31.381 22.109 1.00 39.75 ? 14 THR F CA 1 ATOM 3881 C C . THR F 1 14 ? 10.478 32.448 22.887 1.00 41.42 ? 14 THR F C 1 ATOM 3882 O O . THR F 1 14 ? 10.811 32.266 24.054 1.00 42.28 ? 14 THR F O 1 ATOM 3883 C CB . THR F 1 14 ? 8.282 31.311 22.616 1.00 39.84 ? 14 THR F CB 1 ATOM 3884 O OG1 . THR F 1 14 ? 7.545 30.359 21.836 1.00 40.44 ? 14 THR F OG1 1 ATOM 3885 C CG2 . THR F 1 14 ? 7.611 32.667 22.500 1.00 39.43 ? 14 THR F CG2 1 ATOM 3886 N N . HIS F 1 15 ? 10.756 33.555 22.205 1.00 43.01 ? 15 HIS F N 1 ATOM 3887 C CA . HIS F 1 15 ? 11.414 34.702 22.797 1.00 45.04 ? 15 HIS F CA 1 ATOM 3888 C C . HIS F 1 15 ? 10.466 35.898 22.724 1.00 46.71 ? 15 HIS F C 1 ATOM 3889 O O . HIS F 1 15 ? 10.219 36.452 21.645 1.00 46.25 ? 15 HIS F O 1 ATOM 3890 C CB . HIS F 1 15 ? 12.729 35.030 22.065 1.00 44.37 ? 15 HIS F CB 1 ATOM 3891 C CG . HIS F 1 15 ? 13.792 33.996 22.265 1.00 45.55 ? 15 HIS F CG 1 ATOM 3892 N ND1 . HIS F 1 15 ? 14.923 34.223 23.020 1.00 44.94 ? 15 HIS F ND1 1 ATOM 3893 C CD2 . HIS F 1 15 ? 13.886 32.718 21.824 1.00 45.19 ? 15 HIS F CD2 1 ATOM 3894 C CE1 . HIS F 1 15 ? 15.669 33.133 23.034 1.00 46.40 ? 15 HIS F CE1 1 ATOM 3895 N NE2 . HIS F 1 15 ? 15.062 32.205 22.316 1.00 46.16 ? 15 HIS F NE2 1 ATOM 3896 N N . ARG F 1 16 ? 9.890 36.245 23.879 1.00 48.56 ? 16 ARG F N 1 ATOM 3897 C CA . ARG F 1 16 ? 9.019 37.422 23.994 1.00 51.10 ? 16 ARG F CA 1 ATOM 3898 C C . ARG F 1 16 ? 9.870 38.502 24.684 1.00 50.87 ? 16 ARG F C 1 ATOM 3899 O O . ARG F 1 16 ? 10.289 38.350 25.834 1.00 51.86 ? 16 ARG F O 1 ATOM 3900 C CB . ARG F 1 16 ? 7.753 37.096 24.779 1.00 53.44 ? 16 ARG F CB 1 ATOM 3901 C CG . ARG F 1 16 ? 6.845 36.094 24.063 1.00 57.07 ? 16 ARG F CG 1 ATOM 3902 C CD . ARG F 1 16 ? 5.419 36.121 24.602 1.00 62.86 ? 16 ARG F CD 1 ATOM 3903 N NE . ARG F 1 16 ? 4.430 36.250 23.530 1.00 68.06 ? 16 ARG F NE 1 ATOM 3904 C CZ . ARG F 1 16 ? 4.120 37.402 22.935 1.00 70.79 ? 16 ARG F CZ 1 ATOM 3905 N NH1 . ARG F 1 16 ? 4.714 38.528 23.312 1.00 71.28 ? 16 ARG F NH1 1 ATOM 3906 N NH2 . ARG F 1 16 ? 3.211 37.433 21.971 1.00 72.72 ? 16 ARG F NH2 1 ATOM 3907 N N . CYS F 1 17 ? 10.101 39.599 23.967 1.00 50.12 ? 17 CYS F N 1 ATOM 3908 C CA . CYS F 1 17 ? 10.996 40.642 24.448 1.00 49.66 ? 17 CYS F CA 1 ATOM 3909 C C . CYS F 1 17 ? 10.325 41.979 24.697 1.00 49.68 ? 17 CYS F C 1 ATOM 3910 O O . CYS F 1 17 ? 10.684 42.680 25.642 1.00 50.84 ? 17 CYS F O 1 ATOM 3911 C CB . CYS F 1 17 ? 12.149 40.794 23.435 1.00 47.88 ? 17 CYS F CB 1 ATOM 3912 S SG . CYS F 1 17 ? 12.789 39.214 22.806 1.00 49.55 ? 17 CYS F SG 1 ATOM 3913 N N . TRP F 1 18 ? 9.349 42.327 23.854 1.00 49.05 ? 18 TRP F N 1 ATOM 3914 C CA . TRP F 1 18 ? 8.603 43.581 23.976 1.00 48.20 ? 18 TRP F CA 1 ATOM 3915 C C . TRP F 1 18 ? 8.156 43.766 25.423 1.00 48.32 ? 18 TRP F C 1 ATOM 3916 O O . TRP F 1 18 ? 7.703 42.816 26.056 1.00 47.95 ? 18 TRP F O 1 ATOM 3917 C CB . TRP F 1 18 ? 7.371 43.544 23.049 1.00 46.97 ? 18 TRP F CB 1 ATOM 3918 C CG . TRP F 1 18 ? 6.415 44.682 23.238 1.00 47.04 ? 18 TRP F CG 1 ATOM 3919 C CD1 . TRP F 1 18 ? 5.322 44.710 24.060 1.00 48.47 ? 18 TRP F CD1 1 ATOM 3920 C CD2 . TRP F 1 18 ? 6.465 45.958 22.596 1.00 47.58 ? 18 TRP F CD2 1 ATOM 3921 N NE1 . TRP F 1 18 ? 4.683 45.926 23.962 1.00 49.20 ? 18 TRP F NE1 1 ATOM 3922 C CE2 . TRP F 1 18 ? 5.367 46.711 23.071 1.00 48.68 ? 18 TRP F CE2 1 ATOM 3923 C CE3 . TRP F 1 18 ? 7.331 46.540 21.663 1.00 46.49 ? 18 TRP F CE3 1 ATOM 3924 C CZ2 . TRP F 1 18 ? 5.116 48.016 22.643 1.00 48.58 ? 18 TRP F CZ2 1 ATOM 3925 C CZ3 . TRP F 1 18 ? 7.083 47.833 21.238 1.00 46.72 ? 18 TRP F CZ3 1 ATOM 3926 C CH2 . TRP F 1 18 ? 5.983 48.559 21.728 1.00 48.32 ? 18 TRP F CH2 1 ATOM 3927 N N . PRO F 1 19 ? 8.198 45.019 25.939 1.00 47.51 ? 19 PRO F N 1 ATOM 3928 C CA . PRO F 1 19 ? 8.591 46.293 25.320 1.00 46.20 ? 19 PRO F CA 1 ATOM 3929 C C . PRO F 1 19 ? 10.069 46.508 25.080 1.00 45.27 ? 19 PRO F C 1 ATOM 3930 O O . PRO F 1 19 ? 10.471 47.592 24.666 1.00 45.43 ? 19 PRO F O 1 ATOM 3931 C CB . PRO F 1 19 ? 8.010 47.329 26.256 1.00 46.76 ? 19 PRO F CB 1 ATOM 3932 C CG . PRO F 1 19 ? 8.211 46.694 27.593 1.00 48.42 ? 19 PRO F CG 1 ATOM 3933 C CD . PRO F 1 19 ? 7.979 45.205 27.387 1.00 47.84 ? 19 PRO F CD 1 ATOM 3934 N N . ARG F 1 20 ? 10.874 45.511 25.380 1.00 44.35 ? 20 ARG F N 1 ATOM 3935 C CA . ARG F 1 20 ? 12.286 45.642 25.113 1.00 45.44 ? 20 ARG F CA 1 ATOM 3936 C C . ARG F 1 20 ? 12.621 44.961 23.784 1.00 45.46 ? 20 ARG F C 1 ATOM 3937 O O . ARG F 1 20 ? 11.851 44.133 23.289 1.00 45.85 ? 20 ARG F O 1 ATOM 3938 C CB . ARG F 1 20 ? 13.109 44.862 26.185 1.00 46.83 ? 20 ARG F CB 1 ATOM 3939 C CG . ARG F 1 20 ? 12.744 45.197 27.631 1.00 48.94 ? 20 ARG F CG 1 ATOM 3940 C CD . ARG F 1 20 ? 13.432 44.260 28.612 1.00 51.04 ? 20 ARG F CD 1 ATOM 3941 N NE . ARG F 1 20 ? 13.201 44.618 30.016 1.00 53.86 ? 20 ARG F NE 1 ATOM 3942 C CZ . ARG F 1 20 ? 12.077 44.382 30.691 1.00 52.85 ? 20 ARG F CZ 1 ATOM 3943 N NH1 . ARG F 1 20 ? 11.052 43.777 30.103 1.00 53.89 ? 20 ARG F NH1 1 ATOM 3944 N NH2 . ARG F 1 20 ? 11.981 44.745 31.962 1.00 51.30 ? 20 ARG F NH2 1 ATOM 3945 N N . PRO F 1 21 ? 13.697 45.426 23.125 1.00 45.48 ? 21 PRO F N 1 ATOM 3946 C CA . PRO F 1 21 ? 14.039 44.791 21.847 1.00 45.61 ? 21 PRO F CA 1 ATOM 3947 C C . PRO F 1 21 ? 14.696 43.446 22.323 1.00 46.04 ? 21 PRO F C 1 ATOM 3948 O O . PRO F 1 21 ? 15.220 43.359 23.446 1.00 47.07 ? 21 PRO F O 1 ATOM 3949 C CB . PRO F 1 21 ? 15.144 45.674 21.263 1.00 44.66 ? 21 PRO F CB 1 ATOM 3950 C CG . PRO F 1 21 ? 15.092 46.951 22.038 1.00 46.16 ? 21 PRO F CG 1 ATOM 3951 C CD . PRO F 1 21 ? 14.514 46.629 23.380 1.00 45.60 ? 21 PRO F CD 1 ATOM 3952 N N . CYS F 1 22 ? 14.633 42.414 21.487 1.00 45.69 ? 22 CYS F N 1 ATOM 3953 C CA . CYS F 1 22 ? 15.264 41.146 21.815 1.00 46.14 ? 22 CYS F CA 1 ATOM 3954 C C . CYS F 1 22 ? 16.771 41.343 21.709 1.00 46.85 ? 22 CYS F C 1 ATOM 3955 O O . CYS F 1 22 ? 17.230 42.227 20.989 1.00 47.65 ? 22 CYS F O 1 ATOM 3956 C CB . CYS F 1 22 ? 14.857 40.067 20.798 1.00 45.32 ? 22 CYS F CB 1 ATOM 3957 S SG . CYS F 1 22 ? 13.082 39.677 20.854 1.00 46.69 ? 22 CYS F SG 1 ATOM 3958 N N . ASP F 1 23 ? 17.529 40.552 22.461 1.00 47.81 ? 23 ASP F N 1 ATOM 3959 C CA . ASP F 1 23 ? 18.990 40.596 22.354 1.00 49.54 ? 23 ASP F CA 1 ATOM 3960 C C . ASP F 1 23 ? 19.400 40.387 20.884 1.00 48.97 ? 23 ASP F C 1 ATOM 3961 O O . ASP F 1 23 ? 18.722 39.700 20.113 1.00 49.21 ? 23 ASP F O 1 ATOM 3962 C CB . ASP F 1 23 ? 19.624 39.483 23.206 1.00 52.54 ? 23 ASP F CB 1 ATOM 3963 C CG . ASP F 1 23 ? 19.260 39.605 24.676 1.00 55.20 ? 23 ASP F CG 1 ATOM 3964 O OD1 . ASP F 1 23 ? 19.434 38.618 25.424 1.00 57.09 ? 23 ASP F OD1 1 ATOM 3965 O OD2 . ASP F 1 23 ? 18.797 40.693 25.085 1.00 55.68 ? 23 ASP F OD2 1 ATOM 3966 N N . THR F 1 24 ? 20.519 41.000 20.515 1.00 48.75 ? 24 THR F N 1 ATOM 3967 C CA . THR F 1 24 ? 21.064 40.907 19.162 1.00 47.60 ? 24 THR F CA 1 ATOM 3968 C C . THR F 1 24 ? 21.278 39.452 18.755 1.00 46.73 ? 24 THR F C 1 ATOM 3969 O O . THR F 1 24 ? 21.114 39.094 17.588 1.00 46.98 ? 24 THR F O 1 ATOM 3970 C CB . THR F 1 24 ? 22.379 41.693 19.060 1.00 46.33 ? 24 THR F CB 1 ATOM 3971 O OG1 . THR F 1 24 ? 22.081 43.089 19.096 1.00 49.19 ? 24 THR F OG1 1 ATOM 3972 C CG2 . THR F 1 24 ? 23.108 41.378 17.764 1.00 46.56 ? 24 THR F CG2 1 ATOM 3973 N N . SER F 1 25 ? 21.647 38.613 19.715 1.00 46.72 ? 25 SER F N 1 ATOM 3974 C CA . SER F 1 25 ? 21.816 37.198 19.434 1.00 46.91 ? 25 SER F CA 1 ATOM 3975 C C . SER F 1 25 ? 21.358 36.351 20.613 1.00 46.99 ? 25 SER F C 1 ATOM 3976 O O . SER F 1 25 ? 21.184 36.855 21.722 1.00 46.34 ? 25 SER F O 1 ATOM 3977 C CB . SER F 1 25 ? 23.289 36.872 19.149 1.00 47.67 ? 25 SER F CB 1 ATOM 3978 O OG . SER F 1 25 ? 24.054 36.907 20.339 1.00 48.41 ? 25 SER F OG 1 ATOM 3979 N N . SER F 1 26 ? 21.116 35.068 20.348 1.00 47.44 ? 26 SER F N 1 ATOM 3980 C CA . SER F 1 26 ? 20.791 34.126 21.409 1.00 47.16 ? 26 SER F CA 1 ATOM 3981 C C . SER F 1 26 ? 21.344 32.754 21.027 1.00 47.62 ? 26 SER F C 1 ATOM 3982 O O . SER F 1 26 ? 21.402 32.397 19.849 1.00 46.67 ? 26 SER F O 1 ATOM 3983 C CB . SER F 1 26 ? 19.289 34.026 21.665 1.00 48.42 ? 26 SER F CB 1 ATOM 3984 O OG . SER F 1 26 ? 18.608 33.509 20.539 1.00 51.67 ? 26 SER F OG 1 ATOM 3985 N N . ASP F 1 27 ? 21.783 32.003 22.035 1.00 48.54 ? 27 ASP F N 1 ATOM 3986 C CA . ASP F 1 27 ? 22.300 30.654 21.829 1.00 49.39 ? 27 ASP F CA 1 ATOM 3987 C C . ASP F 1 27 ? 21.774 29.797 22.962 1.00 50.98 ? 27 ASP F C 1 ATOM 3988 O O . ASP F 1 27 ? 22.008 30.086 24.133 1.00 52.69 ? 27 ASP F O 1 ATOM 3989 C CB . ASP F 1 27 ? 23.819 30.660 21.795 1.00 48.78 ? 27 ASP F CB 1 ATOM 3990 C CG . ASP F 1 27 ? 24.359 31.393 20.586 1.00 48.85 ? 27 ASP F CG 1 ATOM 3991 O OD1 . ASP F 1 27 ? 24.490 30.772 19.511 1.00 48.64 ? 27 ASP F OD1 1 ATOM 3992 O OD2 . ASP F 1 27 ? 24.640 32.602 20.710 1.00 51.30 ? 27 ASP F OD2 1 ATOM 3993 N N . GLU F 1 28 ? 21.053 28.740 22.606 1.00 51.52 ? 28 GLU F N 1 ATOM 3994 C CA . GLU F 1 28 ? 20.437 27.882 23.602 1.00 51.99 ? 28 GLU F CA 1 ATOM 3995 C C . GLU F 1 28 ? 20.878 26.449 23.445 1.00 51.98 ? 28 GLU F C 1 ATOM 3996 O O . GLU F 1 28 ? 20.821 25.901 22.347 1.00 51.80 ? 28 GLU F O 1 ATOM 3997 C CB . GLU F 1 28 ? 18.904 27.964 23.454 1.00 52.33 ? 28 GLU F CB 1 ATOM 3998 C CG . GLU F 1 28 ? 18.126 27.213 24.516 1.00 55.97 ? 28 GLU F CG 1 ATOM 3999 C CD . GLU F 1 28 ? 16.635 27.221 24.240 1.00 58.32 ? 28 GLU F CD 1 ATOM 4000 O OE1 . GLU F 1 28 ? 15.884 26.500 24.936 1.00 57.99 ? 28 GLU F OE1 1 ATOM 4001 O OE2 . GLU F 1 28 ? 16.217 27.956 23.321 1.00 59.27 ? 28 GLU F OE2 1 ATOM 4002 N N . PRO F 1 29 ? 21.365 25.820 24.532 1.00 52.69 ? 29 PRO F N 1 ATOM 4003 C CA . PRO F 1 29 ? 21.777 24.431 24.328 1.00 51.03 ? 29 PRO F CA 1 ATOM 4004 C C . PRO F 1 29 ? 20.564 23.508 24.329 1.00 49.91 ? 29 PRO F C 1 ATOM 4005 O O . PRO F 1 29 ? 19.708 23.575 25.218 1.00 48.78 ? 29 PRO F O 1 ATOM 4006 C CB . PRO F 1 29 ? 22.710 24.154 25.494 1.00 52.29 ? 29 PRO F CB 1 ATOM 4007 C CG . PRO F 1 29 ? 22.193 25.027 26.586 1.00 53.82 ? 29 PRO F CG 1 ATOM 4008 C CD . PRO F 1 29 ? 21.616 26.269 25.918 1.00 53.55 ? 29 PRO F CD 1 ATOM 4009 N N . ILE F 1 30 ? 20.508 22.658 23.309 1.00 49.26 ? 30 ILE F N 1 ATOM 4010 C CA . ILE F 1 30 ? 19.433 21.684 23.155 1.00 49.22 ? 30 ILE F CA 1 ATOM 4011 C C . ILE F 1 30 ? 20.023 20.284 23.316 1.00 49.02 ? 30 ILE F C 1 ATOM 4012 O O . ILE F 1 30 ? 21.076 19.963 22.755 1.00 49.77 ? 30 ILE F O 1 ATOM 4013 C CB . ILE F 1 30 ? 18.778 21.801 21.746 1.00 47.55 ? 30 ILE F CB 1 ATOM 4014 C CG1 . ILE F 1 30 ? 18.284 23.233 21.518 1.00 46.35 ? 30 ILE F CG1 1 ATOM 4015 C CG2 . ILE F 1 30 ? 17.634 20.800 21.614 1.00 45.66 ? 30 ILE F CG2 1 ATOM 4016 C CD1 . ILE F 1 30 ? 17.088 23.631 22.351 1.00 44.74 ? 30 ILE F CD1 1 ATOM 4017 N N . SER F 1 31 ? 19.344 19.464 24.106 1.00 50.36 ? 31 SER F N 1 ATOM 4018 C CA . SER F 1 31 ? 19.775 18.103 24.339 1.00 52.67 ? 31 SER F CA 1 ATOM 4019 C C . SER F 1 31 ? 18.872 17.078 23.676 1.00 53.28 ? 31 SER F C 1 ATOM 4020 O O . SER F 1 31 ? 17.646 17.200 23.715 1.00 53.63 ? 31 SER F O 1 ATOM 4021 C CB . SER F 1 31 ? 19.803 17.799 25.851 1.00 53.07 ? 31 SER F CB 1 ATOM 4022 O OG . SER F 1 31 ? 21.027 18.224 26.427 1.00 54.73 ? 31 SER F OG 1 ATOM 4023 N N . PHE F 1 32 ? 19.492 16.092 23.032 1.00 54.34 ? 32 PHE F N 1 ATOM 4024 C CA . PHE F 1 32 ? 18.735 14.989 22.464 1.00 55.15 ? 32 PHE F CA 1 ATOM 4025 C C . PHE F 1 32 ? 18.801 13.832 23.469 1.00 57.91 ? 32 PHE F C 1 ATOM 4026 O O . PHE F 1 32 ? 19.894 13.392 23.842 1.00 59.08 ? 32 PHE F O 1 ATOM 4027 C CB . PHE F 1 32 ? 19.341 14.482 21.152 1.00 52.06 ? 32 PHE F CB 1 ATOM 4028 C CG . PHE F 1 32 ? 19.388 15.511 20.074 1.00 49.10 ? 32 PHE F CG 1 ATOM 4029 C CD1 . PHE F 1 32 ? 18.277 16.294 19.784 1.00 46.24 ? 32 PHE F CD1 1 ATOM 4030 C CD2 . PHE F 1 32 ? 20.546 15.693 19.334 1.00 47.01 ? 32 PHE F CD2 1 ATOM 4031 C CE1 . PHE F 1 32 ? 18.331 17.239 18.775 1.00 45.78 ? 32 PHE F CE1 1 ATOM 4032 C CE2 . PHE F 1 32 ? 20.606 16.632 18.328 1.00 45.58 ? 32 PHE F CE2 1 ATOM 4033 C CZ . PHE F 1 32 ? 19.498 17.406 18.044 1.00 45.53 ? 32 PHE F CZ 1 ATOM 4034 N N . TRP F 1 33 ? 17.644 13.366 23.933 1.00 59.31 ? 33 TRP F N 1 ATOM 4035 C CA . TRP F 1 33 ? 17.633 12.208 24.817 1.00 60.94 ? 33 TRP F CA 1 ATOM 4036 C C . TRP F 1 33 ? 16.594 11.177 24.390 1.00 59.63 ? 33 TRP F C 1 ATOM 4037 O O . TRP F 1 33 ? 15.396 11.465 24.325 1.00 59.61 ? 33 TRP F O 1 ATOM 4038 C CB . TRP F 1 33 ? 17.409 12.580 26.276 1.00 64.82 ? 33 TRP F CB 1 ATOM 4039 C CG . TRP F 1 33 ? 17.445 11.356 27.145 1.00 69.76 ? 33 TRP F CG 1 ATOM 4040 C CD1 . TRP F 1 33 ? 16.381 10.737 27.742 1.00 70.51 ? 33 TRP F CD1 1 ATOM 4041 C CD2 . TRP F 1 33 ? 18.602 10.580 27.486 1.00 71.34 ? 33 TRP F CD2 1 ATOM 4042 N NE1 . TRP F 1 33 ? 16.804 9.625 28.428 1.00 71.62 ? 33 TRP F NE1 1 ATOM 4043 C CE2 . TRP F 1 33 ? 18.162 9.506 28.290 1.00 71.86 ? 33 TRP F CE2 1 ATOM 4044 C CE3 . TRP F 1 33 ? 19.966 10.688 27.187 1.00 72.26 ? 33 TRP F CE3 1 ATOM 4045 C CZ2 . TRP F 1 33 ? 19.039 8.546 28.802 1.00 72.62 ? 33 TRP F CZ2 1 ATOM 4046 C CZ3 . TRP F 1 33 ? 20.838 9.731 27.697 1.00 73.36 ? 33 TRP F CZ3 1 ATOM 4047 C CH2 . TRP F 1 33 ? 20.370 8.677 28.497 1.00 73.23 ? 33 TRP F CH2 1 ATOM 4048 N N . PRO F 1 34 ? 17.048 9.958 24.071 1.00 58.91 ? 34 PRO F N 1 ATOM 4049 C CA . PRO F 1 34 ? 18.463 9.556 24.091 1.00 58.16 ? 34 PRO F CA 1 ATOM 4050 C C . PRO F 1 34 ? 19.227 10.105 22.897 1.00 57.45 ? 34 PRO F C 1 ATOM 4051 O O . PRO F 1 34 ? 18.623 10.570 21.931 1.00 57.86 ? 34 PRO F O 1 ATOM 4052 C CB . PRO F 1 34 ? 18.393 8.033 24.033 1.00 58.43 ? 34 PRO F CB 1 ATOM 4053 C CG . PRO F 1 34 ? 17.126 7.766 23.285 1.00 58.13 ? 34 PRO F CG 1 ATOM 4054 C CD . PRO F 1 34 ? 16.167 8.814 23.765 1.00 58.31 ? 34 PRO F CD 1 ATOM 4055 N N . PRO F 1 35 ? 20.570 10.075 22.949 1.00 56.56 ? 35 PRO F N 1 ATOM 4056 C CA . PRO F 1 35 ? 21.380 10.579 21.834 1.00 55.74 ? 35 PRO F CA 1 ATOM 4057 C C . PRO F 1 35 ? 21.119 9.764 20.563 1.00 55.41 ? 35 PRO F C 1 ATOM 4058 O O . PRO F 1 35 ? 20.765 8.585 20.630 1.00 55.07 ? 35 PRO F O 1 ATOM 4059 C CB . PRO F 1 35 ? 22.816 10.360 22.310 1.00 55.33 ? 35 PRO F CB 1 ATOM 4060 C CG . PRO F 1 35 ? 22.719 10.467 23.786 1.00 56.50 ? 35 PRO F CG 1 ATOM 4061 C CD . PRO F 1 35 ? 21.414 9.784 24.126 1.00 57.37 ? 35 PRO F CD 1 ATOM 4062 N N . PHE F 1 36 ? 21.293 10.405 19.413 1.00 54.66 ? 36 PHE F N 1 ATOM 4063 C CA . PHE F 1 36 ? 21.138 9.742 18.129 1.00 54.49 ? 36 PHE F CA 1 ATOM 4064 C C . PHE F 1 36 ? 22.243 8.693 17.941 1.00 55.45 ? 36 PHE F C 1 ATOM 4065 O O . PHE F 1 36 ? 23.283 8.758 18.593 1.00 56.36 ? 36 PHE F O 1 ATOM 4066 C CB . PHE F 1 36 ? 21.254 10.767 16.984 1.00 52.28 ? 36 PHE F CB 1 ATOM 4067 C CG . PHE F 1 36 ? 20.013 11.589 16.773 1.00 51.15 ? 36 PHE F CG 1 ATOM 4068 C CD1 . PHE F 1 36 ? 19.820 12.785 17.455 1.00 51.03 ? 36 PHE F CD1 1 ATOM 4069 C CD2 . PHE F 1 36 ? 19.041 11.170 15.875 1.00 50.18 ? 36 PHE F CD2 1 ATOM 4070 C CE1 . PHE F 1 36 ? 18.677 13.551 17.240 1.00 50.20 ? 36 PHE F CE1 1 ATOM 4071 C CE2 . PHE F 1 36 ? 17.900 11.929 15.655 1.00 49.83 ? 36 PHE F CE2 1 ATOM 4072 C CZ . PHE F 1 36 ? 17.718 13.123 16.334 1.00 49.06 ? 36 PHE F CZ 1 ATOM 4073 N N . GLU F 1 37 ? 21.998 7.719 17.065 1.00 56.66 ? 37 GLU F N 1 ATOM 4074 C CA . GLU F 1 37 ? 23.007 6.705 16.749 1.00 58.85 ? 37 GLU F CA 1 ATOM 4075 C C . GLU F 1 37 ? 24.051 7.355 15.832 1.00 58.44 ? 37 GLU F C 1 ATOM 4076 O O . GLU F 1 37 ? 25.253 7.090 15.946 1.00 58.79 ? 37 GLU F O 1 ATOM 4077 C CB . GLU F 1 37 ? 22.375 5.508 16.037 1.00 60.35 ? 37 GLU F CB 1 ATOM 4078 C CG . GLU F 1 37 ? 21.424 4.705 16.908 1.00 64.56 ? 37 GLU F CG 1 ATOM 4079 C CD . GLU F 1 37 ? 22.097 4.145 18.147 1.00 67.19 ? 37 GLU F CD 1 ATOM 4080 O OE1 . GLU F 1 37 ? 23.268 3.720 18.042 1.00 68.18 ? 37 GLU F OE1 1 ATOM 4081 O OE2 . GLU F 1 37 ? 21.456 4.117 19.221 1.00 67.98 ? 37 GLU F OE2 1 ATOM 4082 N N . ASN F 1 38 ? 23.566 8.193 14.920 1.00 57.90 ? 38 ASN F N 1 ATOM 4083 C CA . ASN F 1 38 ? 24.423 8.932 14.004 1.00 57.06 ? 38 ASN F CA 1 ATOM 4084 C C . ASN F 1 38 ? 24.194 10.432 14.197 1.00 56.13 ? 38 ASN F C 1 ATOM 4085 O O . ASN F 1 38 ? 23.118 10.847 14.617 1.00 55.34 ? 38 ASN F O 1 ATOM 4086 C CB . ASN F 1 38 ? 24.104 8.564 12.550 1.00 57.44 ? 38 ASN F CB 1 ATOM 4087 C CG . ASN F 1 38 ? 24.347 7.096 12.253 1.00 58.07 ? 38 ASN F CG 1 ATOM 4088 O OD1 . ASN F 1 38 ? 24.646 6.305 13.149 1.00 59.05 ? 38 ASN F OD1 1 ATOM 4089 N ND2 . ASN F 1 38 ? 24.214 6.723 10.988 1.00 58.86 ? 38 ASN F ND2 1 ATOM 4090 N N . THR F 1 39 ? 25.219 11.239 13.909 1.00 55.23 ? 39 THR F N 1 ATOM 4091 C CA . THR F 1 39 ? 25.097 12.700 14.016 1.00 53.82 ? 39 THR F CA 1 ATOM 4092 C C . THR F 1 39 ? 23.984 13.129 13.058 1.00 51.59 ? 39 THR F C 1 ATOM 4093 O O . THR F 1 39 ? 24.087 12.963 11.843 1.00 49.81 ? 39 THR F O 1 ATOM 4094 C CB . THR F 1 39 ? 26.398 13.394 13.638 1.00 54.71 ? 39 THR F CB 1 ATOM 4095 O OG1 . THR F 1 39 ? 27.467 12.818 14.401 1.00 56.36 ? 39 THR F OG1 1 ATOM 4096 C CG2 . THR F 1 39 ? 26.299 14.891 13.949 1.00 54.45 ? 39 THR F CG2 1 ATOM 4097 N N . PRO F 1 40 ? 22.917 13.720 13.600 1.00 49.84 ? 40 PRO F N 1 ATOM 4098 C CA . PRO F 1 40 ? 21.824 14.152 12.731 1.00 48.58 ? 40 PRO F CA 1 ATOM 4099 C C . PRO F 1 40 ? 22.064 15.461 12.038 1.00 47.21 ? 40 PRO F C 1 ATOM 4100 O O . PRO F 1 40 ? 22.943 16.209 12.454 1.00 48.57 ? 40 PRO F O 1 ATOM 4101 C CB . PRO F 1 40 ? 20.650 14.288 13.724 1.00 48.53 ? 40 PRO F CB 1 ATOM 4102 C CG . PRO F 1 40 ? 21.324 14.778 14.979 1.00 48.75 ? 40 PRO F CG 1 ATOM 4103 C CD . PRO F 1 40 ? 22.657 14.049 15.021 1.00 49.03 ? 40 PRO F CD 1 ATOM 4104 N N . ASN F 1 41 ? 21.337 15.693 10.945 1.00 45.71 ? 41 ASN F N 1 ATOM 4105 C CA . ASN F 1 41 ? 21.322 17.032 10.360 1.00 43.67 ? 41 ASN F CA 1 ATOM 4106 C C . ASN F 1 41 ? 20.226 17.793 11.157 1.00 41.95 ? 41 ASN F C 1 ATOM 4107 O O . ASN F 1 41 ? 19.302 17.184 11.704 1.00 39.70 ? 41 ASN F O 1 ATOM 4108 C CB . ASN F 1 41 ? 20.904 17.009 8.891 1.00 46.91 ? 41 ASN F CB 1 ATOM 4109 C CG . ASN F 1 41 ? 21.992 16.438 8.011 1.00 51.38 ? 41 ASN F CG 1 ATOM 4110 O OD1 . ASN F 1 41 ? 22.832 15.667 8.478 1.00 55.64 ? 41 ASN F OD1 1 ATOM 4111 N ND2 . ASN F 1 41 ? 21.984 16.795 6.735 1.00 53.11 ? 41 ASN F ND2 1 ATOM 4112 N N . VAL F 1 42 ? 20.375 19.109 11.254 1.00 40.34 ? 42 VAL F N 1 ATOM 4113 C CA . VAL F 1 42 ? 19.381 19.931 11.909 1.00 40.06 ? 42 VAL F CA 1 ATOM 4114 C C . VAL F 1 42 ? 19.150 21.207 11.094 1.00 40.17 ? 42 VAL F C 1 ATOM 4115 O O . VAL F 1 42 ? 20.105 21.821 10.626 1.00 41.97 ? 42 VAL F O 1 ATOM 4116 C CB . VAL F 1 42 ? 19.814 20.386 13.345 1.00 39.64 ? 42 VAL F CB 1 ATOM 4117 C CG1 . VAL F 1 42 ? 18.631 21.008 14.077 1.00 38.26 ? 42 VAL F CG1 1 ATOM 4118 C CG2 . VAL F 1 42 ? 20.365 19.209 14.137 1.00 40.39 ? 42 VAL F CG2 1 ATOM 4119 N N . ILE F 1 43 ? 17.883 21.565 10.868 1.00 38.10 ? 43 ILE F N 1 ATOM 4120 C CA . ILE F 1 43 ? 17.572 22.838 10.225 1.00 35.48 ? 43 ILE F CA 1 ATOM 4121 C C . ILE F 1 43 ? 16.674 23.658 11.169 1.00 35.13 ? 43 ILE F C 1 ATOM 4122 O O . ILE F 1 43 ? 15.907 23.107 11.960 1.00 33.33 ? 43 ILE F O 1 ATOM 4123 C CB . ILE F 1 43 ? 16.907 22.720 8.862 1.00 35.86 ? 43 ILE F CB 1 ATOM 4124 C CG1 . ILE F 1 43 ? 15.618 21.910 8.970 1.00 34.94 ? 43 ILE F CG1 1 ATOM 4125 C CG2 . ILE F 1 43 ? 17.875 22.103 7.869 1.00 31.83 ? 43 ILE F CG2 1 ATOM 4126 C CD1 . ILE F 1 43 ? 14.823 21.901 7.681 1.00 33.75 ? 43 ILE F CD1 1 ATOM 4127 N N . VAL F 1 44 ? 16.776 24.976 11.047 1.00 34.33 ? 44 VAL F N 1 ATOM 4128 C CA . VAL F 1 44 ? 16.071 25.904 11.911 1.00 34.13 ? 44 VAL F CA 1 ATOM 4129 C C . VAL F 1 44 ? 15.357 26.982 11.109 1.00 35.63 ? 44 VAL F C 1 ATOM 4130 O O . VAL F 1 44 ? 15.836 27.406 10.055 1.00 34.37 ? 44 VAL F O 1 ATOM 4131 C CB . VAL F 1 44 ? 17.105 26.608 12.885 1.00 34.01 ? 44 VAL F CB 1 ATOM 4132 C CG1 . VAL F 1 44 ? 16.384 27.530 13.865 1.00 32.61 ? 44 VAL F CG1 1 ATOM 4133 C CG2 . VAL F 1 44 ? 17.918 25.557 13.645 1.00 32.89 ? 44 VAL F CG2 1 ATOM 4134 N N . SER F 1 45 ? 14.182 27.387 11.589 1.00 35.11 ? 45 SER F N 1 ATOM 4135 C CA . SER F 1 45 ? 13.432 28.459 10.950 1.00 35.51 ? 45 SER F CA 1 ATOM 4136 C C . SER F 1 45 ? 12.659 29.284 11.988 1.00 36.77 ? 45 SER F C 1 ATOM 4137 O O . SER F 1 45 ? 12.857 29.109 13.194 1.00 37.88 ? 45 SER F O 1 ATOM 4138 C CB . SER F 1 45 ? 12.475 27.912 9.895 1.00 35.30 ? 45 SER F CB 1 ATOM 4139 O OG . SER F 1 45 ? 11.995 28.969 9.079 1.00 35.00 ? 45 SER F OG 1 ATOM 4140 N N . PHE F 1 46 ? 11.789 30.180 11.520 1.00 36.19 ? 46 PHE F N 1 ATOM 4141 C CA . PHE F 1 46 ? 11.000 31.028 12.405 1.00 36.54 ? 46 PHE F CA 1 ATOM 4142 C C . PHE F 1 46 ? 9.503 30.692 12.347 1.00 37.79 ? 46 PHE F C 1 ATOM 4143 O O . PHE F 1 46 ? 8.899 30.688 11.280 1.00 38.46 ? 46 PHE F O 1 ATOM 4144 C CB . PHE F 1 46 ? 11.191 32.511 12.037 1.00 35.93 ? 46 PHE F CB 1 ATOM 4145 C CG . PHE F 1 46 ? 12.580 33.028 12.286 1.00 36.82 ? 46 PHE F CG 1 ATOM 4146 C CD1 . PHE F 1 46 ? 12.902 33.670 13.479 1.00 35.87 ? 46 PHE F CD1 1 ATOM 4147 C CD2 . PHE F 1 46 ? 13.572 32.849 11.334 1.00 34.71 ? 46 PHE F CD2 1 ATOM 4148 C CE1 . PHE F 1 46 ? 14.198 34.128 13.709 1.00 36.98 ? 46 PHE F CE1 1 ATOM 4149 C CE2 . PHE F 1 46 ? 14.864 33.302 11.557 1.00 36.78 ? 46 PHE F CE2 1 ATOM 4150 C CZ . PHE F 1 46 ? 15.179 33.941 12.746 1.00 35.12 ? 46 PHE F CZ 1 ATOM 4151 N N . GLY F 1 47 ? 8.917 30.401 13.508 1.00 37.99 ? 47 GLY F N 1 ATOM 4152 C CA . GLY F 1 47 ? 7.489 30.116 13.581 1.00 36.15 ? 47 GLY F CA 1 ATOM 4153 C C . GLY F 1 47 ? 6.668 31.355 13.921 1.00 36.36 ? 47 GLY F C 1 ATOM 4154 O O . GLY F 1 47 ? 5.463 31.411 13.655 1.00 36.99 ? 47 GLY F O 1 ATOM 4155 N N . MET F 1 48 ? 7.317 32.339 14.538 1.00 35.96 ? 48 MET F N 1 ATOM 4156 C CA . MET F 1 48 ? 6.671 33.601 14.871 1.00 34.57 ? 48 MET F CA 1 ATOM 4157 C C . MET F 1 48 ? 7.730 34.684 14.745 1.00 34.56 ? 48 MET F C 1 ATOM 4158 O O . MET F 1 48 ? 8.912 34.434 14.989 1.00 34.12 ? 48 MET F O 1 ATOM 4159 C CB . MET F 1 48 ? 6.046 33.551 16.279 1.00 33.81 ? 48 MET F CB 1 ATOM 4160 C CG . MET F 1 48 ? 5.464 34.870 16.803 1.00 33.22 ? 48 MET F CG 1 ATOM 4161 S SD . MET F 1 48 ? 6.684 35.937 17.623 1.00 38.43 ? 48 MET F SD 1 ATOM 4162 C CE . MET F 1 48 ? 6.882 35.052 19.178 1.00 36.23 ? 48 MET F CE 1 ATOM 4163 N N . LEU F 1 49 ? 7.305 35.880 14.338 1.00 34.64 ? 49 LEU F N 1 ATOM 4164 C CA . LEU F 1 49 ? 8.225 36.993 14.144 1.00 35.66 ? 49 LEU F CA 1 ATOM 4165 C C . LEU F 1 49 ? 7.536 38.349 14.301 1.00 36.33 ? 49 LEU F C 1 ATOM 4166 O O . LEU F 1 49 ? 6.406 38.551 13.843 1.00 38.17 ? 49 LEU F O 1 ATOM 4167 C CB . LEU F 1 49 ? 8.872 36.869 12.753 1.00 35.75 ? 49 LEU F CB 1 ATOM 4168 C CG . LEU F 1 49 ? 10.165 37.650 12.479 1.00 39.78 ? 49 LEU F CG 1 ATOM 4169 C CD1 . LEU F 1 49 ? 11.202 37.367 13.565 1.00 38.39 ? 49 LEU F CD1 1 ATOM 4170 C CD2 . LEU F 1 49 ? 10.709 37.275 11.103 1.00 39.34 ? 49 LEU F CD2 1 ATOM 4171 N N . ASP F 1 50 ? 8.225 39.278 14.955 1.00 36.79 ? 50 ASP F N 1 ATOM 4172 C CA . ASP F 1 50 ? 7.691 40.623 15.213 1.00 37.82 ? 50 ASP F CA 1 ATOM 4173 C C . ASP F 1 50 ? 8.862 41.585 15.022 1.00 37.31 ? 50 ASP F C 1 ATOM 4174 O O . ASP F 1 50 ? 9.710 41.745 15.899 1.00 37.83 ? 50 ASP F O 1 ATOM 4175 C CB . ASP F 1 50 ? 7.127 40.674 16.642 1.00 39.07 ? 50 ASP F CB 1 ATOM 4176 C CG . ASP F 1 50 ? 6.576 42.047 17.008 1.00 41.13 ? 50 ASP F CG 1 ATOM 4177 O OD1 . ASP F 1 50 ? 6.090 42.197 18.154 1.00 44.74 ? 50 ASP F OD1 1 ATOM 4178 O OD2 . ASP F 1 50 ? 6.619 42.977 16.173 1.00 40.33 ? 50 ASP F OD2 1 ATOM 4179 N N . VAL F 1 51 ? 8.882 42.233 13.863 1.00 36.32 ? 51 VAL F N 1 ATOM 4180 C CA . VAL F 1 51 ? 10.008 43.086 13.486 1.00 36.19 ? 51 VAL F CA 1 ATOM 4181 C C . VAL F 1 51 ? 9.597 44.510 13.175 1.00 36.05 ? 51 VAL F C 1 ATOM 4182 O O . VAL F 1 51 ? 8.613 44.742 12.477 1.00 36.53 ? 51 VAL F O 1 ATOM 4183 C CB . VAL F 1 51 ? 10.721 42.461 12.233 1.00 36.10 ? 51 VAL F CB 1 ATOM 4184 C CG1 . VAL F 1 51 ? 11.898 43.330 11.808 1.00 35.01 ? 51 VAL F CG1 1 ATOM 4185 C CG2 . VAL F 1 51 ? 11.186 41.040 12.536 1.00 34.63 ? 51 VAL F CG2 1 ATOM 4186 N N . ASP F 1 52 ? 10.352 45.474 13.693 1.00 36.25 ? 52 ASP F N 1 ATOM 4187 C CA . ASP F 1 52 ? 10.024 46.882 13.480 1.00 37.09 ? 52 ASP F CA 1 ATOM 4188 C C . ASP F 1 52 ? 10.344 47.344 12.067 1.00 38.05 ? 52 ASP F C 1 ATOM 4189 O O . ASP F 1 52 ? 11.427 47.069 11.535 1.00 37.96 ? 52 ASP F O 1 ATOM 4190 C CB . ASP F 1 52 ? 10.748 47.760 14.509 1.00 39.09 ? 52 ASP F CB 1 ATOM 4191 C CG . ASP F 1 52 ? 10.006 49.047 14.791 1.00 40.05 ? 52 ASP F CG 1 ATOM 4192 O OD1 . ASP F 1 52 ? 10.062 49.956 13.938 1.00 41.39 ? 52 ASP F OD1 1 ATOM 4193 O OD2 . ASP F 1 52 ? 9.351 49.149 15.856 1.00 41.72 ? 52 ASP F OD2 1 ATOM 4194 N N . ASN F 1 53 ? 9.397 48.057 11.463 1.00 37.44 ? 53 ASN F N 1 ATOM 4195 C CA . ASN F 1 53 ? 9.544 48.546 10.095 1.00 39.01 ? 53 ASN F CA 1 ATOM 4196 C C . ASN F 1 53 ? 10.428 49.783 9.961 1.00 39.03 ? 53 ASN F C 1 ATOM 4197 O O . ASN F 1 53 ? 10.707 50.230 8.850 1.00 38.65 ? 53 ASN F O 1 ATOM 4198 C CB . ASN F 1 53 ? 8.159 48.866 9.517 1.00 38.70 ? 53 ASN F CB 1 ATOM 4199 C CG . ASN F 1 53 ? 7.504 50.050 10.204 1.00 38.26 ? 53 ASN F CG 1 ATOM 4200 O OD1 . ASN F 1 53 ? 7.935 50.473 11.277 1.00 41.05 ? 53 ASN F OD1 1 ATOM 4201 N ND2 . ASN F 1 53 ? 6.454 50.586 9.592 1.00 35.65 ? 53 ASN F ND2 1 ATOM 4202 N N . SER F 1 54 ? 10.870 50.339 11.084 1.00 40.43 ? 54 SER F N 1 ATOM 4203 C CA . SER F 1 54 ? 11.701 51.540 11.044 1.00 42.08 ? 54 SER F CA 1 ATOM 4204 C C . SER F 1 54 ? 13.044 51.251 10.384 1.00 42.05 ? 54 SER F C 1 ATOM 4205 O O . SER F 1 54 ? 13.749 52.170 9.955 1.00 40.81 ? 54 SER F O 1 ATOM 4206 C CB . SER F 1 54 ? 11.913 52.096 12.455 1.00 42.35 ? 54 SER F CB 1 ATOM 4207 O OG . SER F 1 54 ? 12.604 51.160 13.258 1.00 46.23 ? 54 SER F OG 1 ATOM 4208 N N . ASN F 1 55 ? 13.383 49.967 10.308 1.00 41.61 ? 55 ASN F N 1 ATOM 4209 C CA . ASN F 1 55 ? 14.619 49.515 9.668 1.00 41.80 ? 55 ASN F CA 1 ATOM 4210 C C . ASN F 1 55 ? 14.414 48.187 8.931 1.00 40.61 ? 55 ASN F C 1 ATOM 4211 O O . ASN F 1 55 ? 13.377 47.534 9.077 1.00 42.49 ? 55 ASN F O 1 ATOM 4212 C CB . ASN F 1 55 ? 15.744 49.389 10.709 1.00 42.52 ? 55 ASN F CB 1 ATOM 4213 C CG . ASN F 1 55 ? 16.250 50.748 11.175 1.00 45.13 ? 55 ASN F CG 1 ATOM 4214 O OD1 . ASN F 1 55 ? 16.878 51.476 10.414 1.00 46.73 ? 55 ASN F OD1 1 ATOM 4215 N ND2 . ASN F 1 55 ? 15.960 51.100 12.424 1.00 44.15 ? 55 ASN F ND2 1 ATOM 4216 N N . ASN F 1 56 ? 15.396 47.805 8.125 1.00 38.67 ? 56 ASN F N 1 ATOM 4217 C CA . ASN F 1 56 ? 15.330 46.575 7.366 1.00 39.04 ? 56 ASN F CA 1 ATOM 4218 C C . ASN F 1 56 ? 15.141 45.339 8.239 1.00 38.47 ? 56 ASN F C 1 ATOM 4219 O O . ASN F 1 56 ? 15.611 45.286 9.377 1.00 38.39 ? 56 ASN F O 1 ATOM 4220 C CB . ASN F 1 56 ? 16.625 46.393 6.551 1.00 40.60 ? 56 ASN F CB 1 ATOM 4221 C CG . ASN F 1 56 ? 16.746 47.388 5.421 1.00 40.40 ? 56 ASN F CG 1 ATOM 4222 O OD1 . ASN F 1 56 ? 15.827 48.173 5.172 1.00 41.53 ? 56 ASN F OD1 1 ATOM 4223 N ND2 . ASN F 1 56 ? 17.874 47.357 4.719 1.00 37.44 ? 56 ASN F ND2 1 ATOM 4224 N N . LEU F 1 57 ? 14.409 44.364 7.708 1.00 36.85 ? 57 LEU F N 1 ATOM 4225 C CA . LEU F 1 57 ? 14.260 43.101 8.399 1.00 35.75 ? 57 LEU F CA 1 ATOM 4226 C C . LEU F 1 57 ? 15.539 42.265 8.176 1.00 34.91 ? 57 LEU F C 1 ATOM 4227 O O . LEU F 1 57 ? 15.893 41.936 7.041 1.00 32.48 ? 57 LEU F O 1 ATOM 4228 C CB . LEU F 1 57 ? 13.055 42.305 7.856 1.00 32.38 ? 57 LEU F CB 1 ATOM 4229 C CG . LEU F 1 57 ? 12.765 40.951 8.522 1.00 34.76 ? 57 LEU F CG 1 ATOM 4230 C CD1 . LEU F 1 57 ? 11.262 40.771 8.733 1.00 34.08 ? 57 LEU F CD1 1 ATOM 4231 C CD2 . LEU F 1 57 ? 13.318 39.820 7.676 1.00 32.99 ? 57 LEU F CD2 1 ATOM 4232 N N . ARG F 1 58 ? 16.238 41.978 9.269 1.00 34.40 ? 58 ARG F N 1 ATOM 4233 C CA . ARG F 1 58 ? 17.418 41.127 9.215 1.00 36.25 ? 58 ARG F CA 1 ATOM 4234 C C . ARG F 1 58 ? 17.351 40.067 10.314 1.00 35.62 ? 58 ARG F C 1 ATOM 4235 O O . ARG F 1 58 ? 17.512 40.376 11.492 1.00 35.58 ? 58 ARG F O 1 ATOM 4236 C CB . ARG F 1 58 ? 18.717 41.925 9.371 1.00 37.35 ? 58 ARG F CB 1 ATOM 4237 C CG . ARG F 1 58 ? 18.866 43.076 8.384 1.00 38.48 ? 58 ARG F CG 1 ATOM 4238 C CD . ARG F 1 58 ? 20.092 43.921 8.710 1.00 38.95 ? 58 ARG F CD 1 ATOM 4239 N NE . ARG F 1 58 ? 20.177 45.106 7.861 1.00 37.92 ? 58 ARG F NE 1 ATOM 4240 C CZ . ARG F 1 58 ? 19.843 46.336 8.237 1.00 36.97 ? 58 ARG F CZ 1 ATOM 4241 N NH1 . ARG F 1 58 ? 19.394 46.584 9.462 1.00 38.62 ? 58 ARG F NH1 1 ATOM 4242 N NH2 . ARG F 1 58 ? 19.950 47.331 7.377 1.00 39.89 ? 58 ARG F NH2 1 ATOM 4243 N N . VAL F 1 59 ? 17.079 38.823 9.926 1.00 35.33 ? 59 VAL F N 1 ATOM 4244 C CA . VAL F 1 59 ? 17.059 37.737 10.899 1.00 35.47 ? 59 VAL F CA 1 ATOM 4245 C C . VAL F 1 59 ? 17.879 36.554 10.398 1.00 35.59 ? 59 VAL F C 1 ATOM 4246 O O . VAL F 1 59 ? 17.949 36.281 9.198 1.00 36.86 ? 59 VAL F O 1 ATOM 4247 C CB . VAL F 1 59 ? 15.621 37.257 11.266 1.00 35.59 ? 59 VAL F CB 1 ATOM 4248 C CG1 . VAL F 1 59 ? 14.858 38.377 11.941 1.00 32.36 ? 59 VAL F CG1 1 ATOM 4249 C CG2 . VAL F 1 59 ? 14.883 36.762 10.021 1.00 31.63 ? 59 VAL F CG2 1 ATOM 4250 N N . ASN F 1 60 ? 18.490 35.855 11.348 1.00 36.82 ? 60 ASN F N 1 ATOM 4251 C CA . ASN F 1 60 ? 19.343 34.712 11.063 1.00 38.17 ? 60 ASN F CA 1 ATOM 4252 C C . ASN F 1 60 ? 19.154 33.649 12.126 1.00 37.25 ? 60 ASN F C 1 ATOM 4253 O O . ASN F 1 60 ? 18.925 33.958 13.291 1.00 39.28 ? 60 ASN F O 1 ATOM 4254 C CB . ASN F 1 60 ? 20.825 35.163 11.043 1.00 40.68 ? 60 ASN F CB 1 ATOM 4255 C CG . ASN F 1 60 ? 21.762 34.044 10.661 1.00 40.89 ? 60 ASN F CG 1 ATOM 4256 O OD1 . ASN F 1 60 ? 21.507 33.289 9.728 1.00 41.18 ? 60 ASN F OD1 1 ATOM 4257 N ND2 . ASN F 1 60 ? 22.837 33.962 11.423 1.00 46.10 ? 60 ASN F ND2 1 ATOM 4258 N N . SER F 1 61 ? 19.227 32.390 11.717 1.00 38.17 ? 61 SER F N 1 ATOM 4259 C CA . SER F 1 61 ? 19.097 31.290 12.664 1.00 39.25 ? 61 SER F CA 1 ATOM 4260 C C . SER F 1 61 ? 19.904 30.103 12.153 1.00 40.10 ? 61 SER F C 1 ATOM 4261 O O . SER F 1 61 ? 20.128 29.981 10.952 1.00 40.31 ? 61 SER F O 1 ATOM 4262 C CB . SER F 1 61 ? 17.628 30.883 12.834 1.00 36.98 ? 61 SER F CB 1 ATOM 4263 O OG . SER F 1 61 ? 17.144 30.244 11.671 1.00 34.05 ? 61 SER F OG 1 ATOM 4264 N N . SER F 1 62 ? 20.352 29.244 13.061 1.00 41.82 ? 62 SER F N 1 ATOM 4265 C CA . SER F 1 62 ? 21.111 28.067 12.658 1.00 44.00 ? 62 SER F CA 1 ATOM 4266 C C . SER F 1 62 ? 21.286 27.082 13.793 1.00 42.86 ? 62 SER F C 1 ATOM 4267 O O . SER F 1 62 ? 21.031 27.401 14.952 1.00 41.99 ? 62 SER F O 1 ATOM 4268 C CB . SER F 1 62 ? 22.512 28.474 12.161 1.00 46.33 ? 62 SER F CB 1 ATOM 4269 O OG . SER F 1 62 ? 23.237 29.135 13.192 1.00 53.58 ? 62 SER F OG 1 ATOM 4270 N N . ALA F 1 63 ? 21.692 25.865 13.436 1.00 43.36 ? 63 ALA F N 1 ATOM 4271 C CA . ALA F 1 63 ? 21.991 24.840 14.432 1.00 44.58 ? 63 ALA F CA 1 ATOM 4272 C C . ALA F 1 63 ? 23.526 24.697 14.452 1.00 46.02 ? 63 ALA F C 1 ATOM 4273 O O . ALA F 1 63 ? 24.141 24.275 13.473 1.00 45.05 ? 63 ALA F O 1 ATOM 4274 C CB . ALA F 1 63 ? 21.334 23.527 14.078 1.00 42.02 ? 63 ALA F CB 1 ATOM 4275 N N . ASP F 1 64 ? 24.124 25.056 15.583 1.00 47.58 ? 64 ASP F N 1 ATOM 4276 C CA . ASP F 1 64 ? 25.573 25.026 15.716 1.00 50.15 ? 64 ASP F CA 1 ATOM 4277 C C . ASP F 1 64 ? 26.046 23.838 16.534 1.00 50.16 ? 64 ASP F C 1 ATOM 4278 O O . ASP F 1 64 ? 25.267 23.258 17.283 1.00 49.61 ? 64 ASP F O 1 ATOM 4279 C CB . ASP F 1 64 ? 26.044 26.334 16.401 1.00 50.21 ? 64 ASP F CB 1 ATOM 4280 C CG . ASP F 1 64 ? 25.714 27.583 15.583 1.00 52.50 ? 64 ASP F CG 1 ATOM 4281 O OD1 . ASP F 1 64 ? 25.501 27.454 14.355 1.00 51.70 ? 64 ASP F OD1 1 ATOM 4282 O OD2 . ASP F 1 64 ? 25.683 28.695 16.164 1.00 52.88 ? 64 ASP F OD2 1 ATOM 4283 N N . ASP F 1 65 ? 27.311 23.456 16.352 1.00 51.95 ? 65 ASP F N 1 ATOM 4284 C CA . ASP F 1 65 ? 27.936 22.379 17.137 1.00 52.62 ? 65 ASP F CA 1 ATOM 4285 C C . ASP F 1 65 ? 27.061 21.144 17.292 1.00 52.23 ? 65 ASP F C 1 ATOM 4286 O O . ASP F 1 65 ? 26.893 20.624 18.401 1.00 52.87 ? 65 ASP F O 1 ATOM 4287 C CB . ASP F 1 65 ? 28.275 22.933 18.542 1.00 53.53 ? 65 ASP F CB 1 ATOM 4288 C CG . ASP F 1 65 ? 29.058 24.233 18.483 1.00 55.71 ? 65 ASP F CG 1 ATOM 4289 O OD1 . ASP F 1 65 ? 29.958 24.343 17.619 1.00 56.07 ? 65 ASP F OD1 1 ATOM 4290 O OD2 . ASP F 1 65 ? 28.781 25.138 19.303 1.00 56.99 ? 65 ASP F OD2 1 ATOM 4291 N N . VAL F 1 66 ? 26.514 20.669 16.182 1.00 50.76 ? 66 VAL F N 1 ATOM 4292 C CA . VAL F 1 66 ? 25.630 19.523 16.228 1.00 50.43 ? 66 VAL F CA 1 ATOM 4293 C C . VAL F 1 66 ? 26.345 18.204 16.482 1.00 51.83 ? 66 VAL F C 1 ATOM 4294 O O . VAL F 1 66 ? 27.278 17.848 15.761 1.00 51.93 ? 66 VAL F O 1 ATOM 4295 C CB . VAL F 1 66 ? 24.832 19.375 14.886 1.00 49.20 ? 66 VAL F CB 1 ATOM 4296 C CG1 . VAL F 1 66 ? 24.082 18.043 14.862 1.00 46.93 ? 66 VAL F CG1 1 ATOM 4297 C CG2 . VAL F 1 66 ? 23.874 20.548 14.705 1.00 45.32 ? 66 VAL F CG2 1 ATOM 4298 N N . THR F 1 67 ? 25.923 17.503 17.533 1.00 51.83 ? 67 THR F N 1 ATOM 4299 C CA . THR F 1 67 ? 26.450 16.173 17.826 1.00 51.78 ? 67 THR F CA 1 ATOM 4300 C C . THR F 1 67 ? 25.270 15.232 18.114 1.00 52.26 ? 67 THR F C 1 ATOM 4301 O O . THR F 1 67 ? 24.113 15.657 18.106 1.00 53.11 ? 67 THR F O 1 ATOM 4302 C CB . THR F 1 67 ? 27.397 16.153 19.032 1.00 51.27 ? 67 THR F CB 1 ATOM 4303 O OG1 . THR F 1 67 ? 26.700 16.590 20.203 1.00 49.65 ? 67 THR F OG1 1 ATOM 4304 C CG2 . THR F 1 67 ? 28.594 17.066 18.771 1.00 52.60 ? 67 THR F CG2 1 ATOM 4305 N N . VAL F 1 68 ? 25.568 13.961 18.370 1.00 51.18 ? 68 VAL F N 1 ATOM 4306 C CA . VAL F 1 68 ? 24.527 12.989 18.660 1.00 49.56 ? 68 VAL F CA 1 ATOM 4307 C C . VAL F 1 68 ? 23.791 13.334 19.952 1.00 49.76 ? 68 VAL F C 1 ATOM 4308 O O . VAL F 1 68 ? 22.638 12.940 20.145 1.00 50.24 ? 68 VAL F O 1 ATOM 4309 C CB . VAL F 1 68 ? 25.109 11.539 18.797 1.00 49.67 ? 68 VAL F CB 1 ATOM 4310 C CG1 . VAL F 1 68 ? 25.674 11.082 17.468 1.00 47.95 ? 68 VAL F CG1 1 ATOM 4311 C CG2 . VAL F 1 68 ? 26.179 11.489 19.885 1.00 48.23 ? 68 VAL F CG2 1 ATOM 4312 N N . GLY F 1 69 ? 24.456 14.103 20.814 1.00 49.49 ? 69 GLY F N 1 ATOM 4313 C CA . GLY F 1 69 ? 23.881 14.461 22.103 1.00 48.52 ? 69 GLY F CA 1 ATOM 4314 C C . GLY F 1 69 ? 23.080 15.743 22.124 1.00 48.75 ? 69 GLY F C 1 ATOM 4315 O O . GLY F 1 69 ? 22.271 15.967 23.028 1.00 48.72 ? 69 GLY F O 1 ATOM 4316 N N . GLY F 1 70 ? 23.298 16.592 21.125 1.00 48.34 ? 70 GLY F N 1 ATOM 4317 C CA . GLY F 1 70 ? 22.571 17.850 21.064 1.00 47.74 ? 70 GLY F CA 1 ATOM 4318 C C . GLY F 1 70 ? 23.220 18.897 20.179 1.00 47.06 ? 70 GLY F C 1 ATOM 4319 O O . GLY F 1 70 ? 24.080 18.584 19.348 1.00 48.54 ? 70 GLY F O 1 ATOM 4320 N N . PHE F 1 71 ? 22.818 20.151 20.355 1.00 45.22 ? 71 PHE F N 1 ATOM 4321 C CA . PHE F 1 71 ? 23.375 21.230 19.545 1.00 43.93 ? 71 PHE F CA 1 ATOM 4322 C C . PHE F 1 71 ? 23.042 22.590 20.145 1.00 43.19 ? 71 PHE F C 1 ATOM 4323 O O . PHE F 1 71 ? 22.345 22.675 21.161 1.00 42.23 ? 71 PHE F O 1 ATOM 4324 C CB . PHE F 1 71 ? 22.820 21.145 18.101 1.00 44.76 ? 71 PHE F CB 1 ATOM 4325 C CG . PHE F 1 71 ? 21.393 21.605 17.959 1.00 43.72 ? 71 PHE F CG 1 ATOM 4326 C CD1 . PHE F 1 71 ? 21.099 22.885 17.497 1.00 43.62 ? 71 PHE F CD1 1 ATOM 4327 C CD2 . PHE F 1 71 ? 20.345 20.759 18.296 1.00 43.73 ? 71 PHE F CD2 1 ATOM 4328 C CE1 . PHE F 1 71 ? 19.782 23.313 17.373 1.00 43.57 ? 71 PHE F CE1 1 ATOM 4329 C CE2 . PHE F 1 71 ? 19.027 21.177 18.176 1.00 42.70 ? 71 PHE F CE2 1 ATOM 4330 C CZ . PHE F 1 71 ? 18.744 22.452 17.714 1.00 43.76 ? 71 PHE F CZ 1 ATOM 4331 N N . THR F 1 72 ? 23.561 23.647 19.530 1.00 42.66 ? 72 THR F N 1 ATOM 4332 C CA . THR F 1 72 ? 23.275 24.994 19.990 1.00 44.30 ? 72 THR F CA 1 ATOM 4333 C C . THR F 1 72 ? 22.303 25.690 19.025 1.00 42.87 ? 72 THR F C 1 ATOM 4334 O O . THR F 1 72 ? 22.619 25.936 17.858 1.00 41.82 ? 72 THR F O 1 ATOM 4335 C CB . THR F 1 72 ? 24.569 25.855 20.103 1.00 46.27 ? 72 THR F CB 1 ATOM 4336 O OG1 . THR F 1 72 ? 25.608 25.068 20.707 1.00 49.26 ? 72 THR F OG1 1 ATOM 4337 C CG2 . THR F 1 72 ? 24.315 27.103 20.959 1.00 45.13 ? 72 THR F CG2 1 ATOM 4338 N N . LEU F 1 73 ? 21.103 25.956 19.532 1.00 42.43 ? 73 LEU F N 1 ATOM 4339 C CA . LEU F 1 73 ? 20.073 26.662 18.773 1.00 41.27 ? 73 LEU F CA 1 ATOM 4340 C C . LEU F 1 73 ? 20.479 28.140 18.747 1.00 41.02 ? 73 LEU F C 1 ATOM 4341 O O . LEU F 1 73 ? 20.410 28.836 19.762 1.00 41.18 ? 73 LEU F O 1 ATOM 4342 C CB . LEU F 1 73 ? 18.713 26.486 19.461 1.00 41.61 ? 73 LEU F CB 1 ATOM 4343 C CG . LEU F 1 73 ? 17.514 27.120 18.742 1.00 40.83 ? 73 LEU F CG 1 ATOM 4344 C CD1 . LEU F 1 73 ? 17.386 26.532 17.340 1.00 38.70 ? 73 LEU F CD1 1 ATOM 4345 C CD2 . LEU F 1 73 ? 16.239 26.907 19.555 1.00 39.51 ? 73 LEU F CD2 1 ATOM 4346 N N . HIS F 1 74 ? 20.905 28.607 17.577 1.00 40.66 ? 74 HIS F N 1 ATOM 4347 C CA . HIS F 1 74 ? 21.360 29.978 17.412 1.00 40.62 ? 74 HIS F CA 1 ATOM 4348 C C . HIS F 1 74 ? 20.415 30.909 16.651 1.00 40.66 ? 74 HIS F C 1 ATOM 4349 O O . HIS F 1 74 ? 19.768 30.506 15.675 1.00 39.02 ? 74 HIS F O 1 ATOM 4350 C CB . HIS F 1 74 ? 22.715 29.984 16.662 1.00 41.11 ? 74 HIS F CB 1 ATOM 4351 C CG . HIS F 1 74 ? 23.248 31.358 16.370 1.00 42.32 ? 74 HIS F CG 1 ATOM 4352 N ND1 . HIS F 1 74 ? 23.683 32.212 17.360 1.00 43.01 ? 74 HIS F ND1 1 ATOM 4353 C CD2 . HIS F 1 74 ? 23.389 32.030 15.202 1.00 42.35 ? 74 HIS F CD2 1 ATOM 4354 C CE1 . HIS F 1 74 ? 24.067 33.354 16.816 1.00 42.17 ? 74 HIS F CE1 1 ATOM 4355 N NE2 . HIS F 1 74 ? 23.899 33.269 15.509 1.00 43.47 ? 74 HIS F NE2 1 ATOM 4356 N N . TYR F 1 75 ? 20.352 32.149 17.125 1.00 41.17 ? 75 TYR F N 1 ATOM 4357 C CA . TYR F 1 75 ? 19.616 33.208 16.462 1.00 41.91 ? 75 TYR F CA 1 ATOM 4358 C C . TYR F 1 75 ? 20.412 34.526 16.512 1.00 43.31 ? 75 TYR F C 1 ATOM 4359 O O . TYR F 1 75 ? 21.150 34.768 17.463 1.00 46.96 ? 75 TYR F O 1 ATOM 4360 C CB . TYR F 1 75 ? 18.267 33.497 17.164 1.00 40.76 ? 75 TYR F CB 1 ATOM 4361 C CG . TYR F 1 75 ? 17.738 34.904 16.923 1.00 41.40 ? 75 TYR F CG 1 ATOM 4362 C CD1 . TYR F 1 75 ? 16.979 35.205 15.794 1.00 40.68 ? 75 TYR F CD1 1 ATOM 4363 C CD2 . TYR F 1 75 ? 18.022 35.941 17.817 1.00 41.22 ? 75 TYR F CD2 1 ATOM 4364 C CE1 . TYR F 1 75 ? 16.514 36.494 15.562 1.00 39.47 ? 75 TYR F CE1 1 ATOM 4365 C CE2 . TYR F 1 75 ? 17.565 37.235 17.589 1.00 41.17 ? 75 TYR F CE2 1 ATOM 4366 C CZ . TYR F 1 75 ? 16.811 37.500 16.464 1.00 41.14 ? 75 TYR F CZ 1 ATOM 4367 O OH . TYR F 1 75 ? 16.352 38.772 16.249 1.00 40.83 ? 75 TYR F OH 1 ATOM 4368 N N . ASN F 1 76 ? 20.310 35.332 15.461 1.00 42.47 ? 76 ASN F N 1 ATOM 4369 C CA . ASN F 1 76 ? 20.818 36.690 15.562 1.00 41.67 ? 76 ASN F CA 1 ATOM 4370 C C . ASN F 1 76 ? 20.234 37.628 14.503 1.00 41.02 ? 76 ASN F C 1 ATOM 4371 O O . ASN F 1 76 ? 19.879 37.186 13.416 1.00 40.48 ? 76 ASN F O 1 ATOM 4372 C CB . ASN F 1 76 ? 22.357 36.794 15.473 1.00 39.85 ? 76 ASN F CB 1 ATOM 4373 C CG . ASN F 1 76 ? 22.878 36.554 14.074 1.00 37.20 ? 76 ASN F CG 1 ATOM 4374 O OD1 . ASN F 1 76 ? 23.065 35.412 13.658 1.00 39.30 ? 76 ASN F OD1 1 ATOM 4375 N ND2 . ASN F 1 76 ? 23.102 37.630 13.334 1.00 36.24 ? 76 ASN F ND2 1 ATOM 4376 N N . SER F 1 77 ? 20.078 38.899 14.876 1.00 42.74 ? 77 SER F N 1 ATOM 4377 C CA . SER F 1 77 ? 19.770 39.935 13.884 1.00 44.43 ? 77 SER F CA 1 ATOM 4378 C C . SER F 1 77 ? 21.130 40.673 13.764 1.00 44.91 ? 77 SER F C 1 ATOM 4379 O O . SER F 1 77 ? 22.125 40.229 14.333 1.00 46.80 ? 77 SER F O 1 ATOM 4380 C CB . SER F 1 77 ? 18.705 40.928 14.361 1.00 43.86 ? 77 SER F CB 1 ATOM 4381 O OG . SER F 1 77 ? 18.874 41.284 15.715 1.00 45.53 ? 77 SER F OG 1 ATOM 4382 N N . TRP F 1 78 ? 21.186 41.753 12.994 1.00 44.71 ? 78 TRP F N 1 ATOM 4383 C CA . TRP F 1 78 ? 22.414 42.533 12.902 1.00 43.94 ? 78 TRP F CA 1 ATOM 4384 C C . TRP F 1 78 ? 22.127 43.957 12.437 1.00 45.59 ? 78 TRP F C 1 ATOM 4385 O O . TRP F 1 78 ? 21.001 44.278 12.030 1.00 46.42 ? 78 TRP F O 1 ATOM 4386 C CB . TRP F 1 78 ? 23.459 41.844 12.015 1.00 41.71 ? 78 TRP F CB 1 ATOM 4387 C CG . TRP F 1 78 ? 23.082 41.661 10.572 1.00 40.07 ? 78 TRP F CG 1 ATOM 4388 C CD1 . TRP F 1 78 ? 23.459 42.444 9.523 1.00 39.50 ? 78 TRP F CD1 1 ATOM 4389 C CD2 . TRP F 1 78 ? 22.257 40.622 10.019 1.00 39.95 ? 78 TRP F CD2 1 ATOM 4390 N NE1 . TRP F 1 78 ? 22.930 41.956 8.348 1.00 40.15 ? 78 TRP F NE1 1 ATOM 4391 C CE2 . TRP F 1 78 ? 22.187 40.840 8.624 1.00 39.50 ? 78 TRP F CE2 1 ATOM 4392 C CE3 . TRP F 1 78 ? 21.574 39.526 10.565 1.00 40.04 ? 78 TRP F CE3 1 ATOM 4393 C CZ2 . TRP F 1 78 ? 21.462 40.003 7.767 1.00 38.48 ? 78 TRP F CZ2 1 ATOM 4394 C CZ3 . TRP F 1 78 ? 20.852 38.693 9.713 1.00 38.44 ? 78 TRP F CZ3 1 ATOM 4395 C CH2 . TRP F 1 78 ? 20.803 38.939 8.328 1.00 39.74 ? 78 TRP F CH2 1 ATOM 4396 N N . TYR F 1 79 ? 23.145 44.809 12.506 1.00 45.62 ? 79 TYR F N 1 ATOM 4397 C CA . TYR F 1 79 ? 23.026 46.203 12.135 1.00 43.16 ? 79 TYR F CA 1 ATOM 4398 C C . TYR F 1 79 ? 21.928 46.915 12.914 1.00 43.37 ? 79 TYR F C 1 ATOM 4399 O O . TYR F 1 79 ? 21.819 46.756 14.130 1.00 42.99 ? 79 TYR F O 1 ATOM 4400 C CB . TYR F 1 79 ? 22.812 46.366 10.631 1.00 43.66 ? 79 TYR F CB 1 ATOM 4401 N N . THR F 1 80 ? 21.088 47.651 12.195 1.00 43.92 ? 80 THR F N 1 ATOM 4402 C CA . THR F 1 80 ? 20.060 48.493 12.805 1.00 45.51 ? 80 THR F CA 1 ATOM 4403 C C . THR F 1 80 ? 18.714 47.847 13.063 1.00 44.62 ? 80 THR F C 1 ATOM 4404 O O . THR F 1 80 ? 17.795 48.484 13.572 1.00 45.45 ? 80 THR F O 1 ATOM 4405 C CB . THR F 1 80 ? 19.824 49.732 11.894 1.00 47.57 ? 80 THR F CB 1 ATOM 4406 O OG1 . THR F 1 80 ? 19.735 49.300 10.525 1.00 48.70 ? 80 THR F OG1 1 ATOM 4407 C CG2 . THR F 1 80 ? 20.966 50.742 12.029 1.00 50.30 ? 80 THR F CG2 1 ATOM 4408 N N . THR F 1 81 ? 18.601 46.572 12.732 1.00 43.35 ? 81 THR F N 1 ATOM 4409 C CA . THR F 1 81 ? 17.338 45.871 12.859 1.00 40.44 ? 81 THR F CA 1 ATOM 4410 C C . THR F 1 81 ? 16.830 45.786 14.281 1.00 40.66 ? 81 THR F C 1 ATOM 4411 O O . THR F 1 81 ? 17.605 45.588 15.214 1.00 40.33 ? 81 THR F O 1 ATOM 4412 C CB . THR F 1 81 ? 17.466 44.450 12.252 1.00 39.85 ? 81 THR F CB 1 ATOM 4413 O OG1 . THR F 1 81 ? 17.603 44.561 10.827 1.00 36.35 ? 81 THR F OG1 1 ATOM 4414 C CG2 . THR F 1 81 ? 16.249 43.584 12.602 1.00 37.02 ? 81 THR F CG2 1 ATOM 4415 N N . THR F 1 82 ? 15.522 45.959 14.456 1.00 40.18 ? 82 THR F N 1 ATOM 4416 C CA . THR F 1 82 ? 14.919 45.860 15.780 1.00 39.88 ? 82 THR F CA 1 ATOM 4417 C C . THR F 1 82 ? 13.861 44.756 15.806 1.00 40.21 ? 82 THR F C 1 ATOM 4418 O O . THR F 1 82 ? 12.835 44.849 15.126 1.00 39.73 ? 82 THR F O 1 ATOM 4419 C CB . THR F 1 82 ? 14.258 47.181 16.202 1.00 41.76 ? 82 THR F CB 1 ATOM 4420 O OG1 . THR F 1 82 ? 15.256 48.201 16.312 1.00 42.54 ? 82 THR F OG1 1 ATOM 4421 C CG2 . THR F 1 82 ? 13.559 47.020 17.543 1.00 42.55 ? 82 THR F CG2 1 ATOM 4422 N N . VAL F 1 83 ? 14.120 43.714 16.597 1.00 39.41 ? 83 VAL F N 1 ATOM 4423 C CA . VAL F 1 83 ? 13.201 42.583 16.724 1.00 40.38 ? 83 VAL F CA 1 ATOM 4424 C C . VAL F 1 83 ? 12.526 42.600 18.093 1.00 41.30 ? 83 VAL F C 1 ATOM 4425 O O . VAL F 1 83 ? 13.196 42.677 19.120 1.00 43.34 ? 83 VAL F O 1 ATOM 4426 C CB . VAL F 1 83 ? 13.944 41.251 16.521 1.00 40.32 ? 83 VAL F CB 1 ATOM 4427 C CG1 . VAL F 1 83 ? 12.976 40.089 16.665 1.00 41.77 ? 83 VAL F CG1 1 ATOM 4428 C CG2 . VAL F 1 83 ? 14.593 41.225 15.144 1.00 38.62 ? 83 VAL F CG2 1 ATOM 4429 N N . TRP F 1 84 ? 11.197 42.510 18.099 1.00 41.50 ? 84 TRP F N 1 ATOM 4430 C CA . TRP F 1 84 ? 10.412 42.587 19.333 1.00 41.55 ? 84 TRP F CA 1 ATOM 4431 C C . TRP F 1 84 ? 10.048 41.251 19.945 1.00 41.67 ? 84 TRP F C 1 ATOM 4432 O O . TRP F 1 84 ? 9.975 41.116 21.166 1.00 41.22 ? 84 TRP F O 1 ATOM 4433 C CB . TRP F 1 84 ? 9.120 43.364 19.066 1.00 41.73 ? 84 TRP F CB 1 ATOM 4434 C CG . TRP F 1 84 ? 9.342 44.787 18.675 1.00 43.91 ? 84 TRP F CG 1 ATOM 4435 C CD1 . TRP F 1 84 ? 9.010 45.377 17.490 1.00 43.89 ? 84 TRP F CD1 1 ATOM 4436 C CD2 . TRP F 1 84 ? 9.940 45.810 19.478 1.00 45.18 ? 84 TRP F CD2 1 ATOM 4437 N NE1 . TRP F 1 84 ? 9.363 46.706 17.507 1.00 45.13 ? 84 TRP F NE1 1 ATOM 4438 C CE2 . TRP F 1 84 ? 9.938 46.997 18.715 1.00 44.47 ? 84 TRP F CE2 1 ATOM 4439 C CE3 . TRP F 1 84 ? 10.478 45.838 20.774 1.00 46.26 ? 84 TRP F CE3 1 ATOM 4440 C CZ2 . TRP F 1 84 ? 10.451 48.199 19.199 1.00 45.39 ? 84 TRP F CZ2 1 ATOM 4441 C CZ3 . TRP F 1 84 ? 10.991 47.039 21.257 1.00 46.79 ? 84 TRP F CZ3 1 ATOM 4442 C CH2 . TRP F 1 84 ? 10.973 48.201 20.469 1.00 46.13 ? 84 TRP F CH2 1 ATOM 4443 N N . ASN F 1 85 ? 9.798 40.278 19.076 1.00 41.00 ? 85 ASN F N 1 ATOM 4444 C CA . ASN F 1 85 ? 9.437 38.926 19.475 1.00 39.09 ? 85 ASN F CA 1 ATOM 4445 C C . ASN F 1 85 ? 9.789 37.949 18.355 1.00 37.94 ? 85 ASN F C 1 ATOM 4446 O O . ASN F 1 85 ? 9.762 38.316 17.184 1.00 37.30 ? 85 ASN F O 1 ATOM 4447 C CB . ASN F 1 85 ? 7.896 38.817 19.694 1.00 38.53 ? 85 ASN F CB 1 ATOM 4448 C CG . ASN F 1 85 ? 7.389 39.672 20.848 1.00 39.31 ? 85 ASN F CG 1 ATOM 4449 O OD1 . ASN F 1 85 ? 7.601 39.348 22.019 1.00 40.55 ? 85 ASN F OD1 1 ATOM 4450 N ND2 . ASN F 1 85 ? 6.715 40.768 20.517 1.00 39.08 ? 85 ASN F ND2 1 ATOM 4451 N N . TYR F 1 86 ? 10.166 36.728 18.712 1.00 36.91 ? 86 TYR F N 1 ATOM 4452 C CA . TYR F 1 86 ? 10.347 35.704 17.689 1.00 36.78 ? 86 TYR F CA 1 ATOM 4453 C C . TYR F 1 86 ? 10.266 34.308 18.289 1.00 37.43 ? 86 TYR F C 1 ATOM 4454 O O . TYR F 1 86 ? 10.507 34.131 19.477 1.00 37.80 ? 86 TYR F O 1 ATOM 4455 C CB . TYR F 1 86 ? 11.686 35.835 16.950 1.00 35.20 ? 86 TYR F CB 1 ATOM 4456 C CG . TYR F 1 86 ? 12.901 35.609 17.822 1.00 36.48 ? 86 TYR F CG 1 ATOM 4457 C CD1 . TYR F 1 86 ? 13.476 34.347 17.940 1.00 37.01 ? 86 TYR F CD1 1 ATOM 4458 C CD2 . TYR F 1 86 ? 13.475 36.661 18.529 1.00 38.18 ? 86 TYR F CD2 1 ATOM 4459 C CE1 . TYR F 1 86 ? 14.597 34.140 18.731 1.00 39.97 ? 86 TYR F CE1 1 ATOM 4460 C CE2 . TYR F 1 86 ? 14.600 36.464 19.329 1.00 38.10 ? 86 TYR F CE2 1 ATOM 4461 C CZ . TYR F 1 86 ? 15.157 35.202 19.424 1.00 39.12 ? 86 TYR F CZ 1 ATOM 4462 O OH . TYR F 1 86 ? 16.267 34.979 20.211 1.00 38.17 ? 86 TYR F OH 1 ATOM 4463 N N . LYS F 1 87 ? 9.885 33.322 17.483 1.00 37.89 ? 87 LYS F N 1 ATOM 4464 C CA . LYS F 1 87 ? 9.918 31.944 17.941 1.00 36.92 ? 87 LYS F CA 1 ATOM 4465 C C . LYS F 1 87 ? 10.698 31.125 16.917 1.00 36.22 ? 87 LYS F C 1 ATOM 4466 O O . LYS F 1 87 ? 10.430 31.199 15.715 1.00 36.23 ? 87 LYS F O 1 ATOM 4467 C CB . LYS F 1 87 ? 8.527 31.342 18.109 1.00 37.49 ? 87 LYS F CB 1 ATOM 4468 C CG . LYS F 1 87 ? 8.538 29.905 18.618 1.00 38.61 ? 87 LYS F CG 1 ATOM 4469 C CD . LYS F 1 87 ? 7.122 29.384 18.753 1.00 40.59 ? 87 LYS F CD 1 ATOM 4470 C CE . LYS F 1 87 ? 6.507 29.177 17.381 1.00 41.07 ? 87 LYS F CE 1 ATOM 4471 N NZ . LYS F 1 87 ? 5.041 28.928 17.448 1.00 42.64 ? 87 LYS F NZ 1 ATOM 4472 N N . LEU F 1 88 ? 11.682 30.374 17.397 1.00 35.01 ? 88 LEU F N 1 ATOM 4473 C CA . LEU F 1 88 ? 12.457 29.515 16.517 1.00 34.31 ? 88 LEU F CA 1 ATOM 4474 C C . LEU F 1 88 ? 11.825 28.127 16.491 1.00 34.06 ? 88 LEU F C 1 ATOM 4475 O O . LEU F 1 88 ? 11.169 27.709 17.450 1.00 34.13 ? 88 LEU F O 1 ATOM 4476 C CB . LEU F 1 88 ? 13.917 29.361 17.019 1.00 32.19 ? 88 LEU F CB 1 ATOM 4477 C CG . LEU F 1 88 ? 14.746 30.648 17.181 1.00 33.12 ? 88 LEU F CG 1 ATOM 4478 C CD1 . LEU F 1 88 ? 16.090 30.337 17.847 1.00 32.66 ? 88 LEU F CD1 1 ATOM 4479 C CD2 . LEU F 1 88 ? 14.946 31.332 15.831 1.00 33.25 ? 88 LEU F CD2 1 ATOM 4480 N N . ILE F 1 89 ? 11.990 27.443 15.362 1.00 32.66 ? 89 ILE F N 1 ATOM 4481 C CA . ILE F 1 89 ? 11.544 26.069 15.244 1.00 32.24 ? 89 ILE F CA 1 ATOM 4482 C C . ILE F 1 89 ? 12.736 25.283 14.698 1.00 32.34 ? 89 ILE F C 1 ATOM 4483 O O . ILE F 1 89 ? 13.558 25.828 13.975 1.00 32.00 ? 89 ILE F O 1 ATOM 4484 C CB . ILE F 1 89 ? 10.331 25.890 14.319 1.00 32.51 ? 89 ILE F CB 1 ATOM 4485 C CG1 . ILE F 1 89 ? 10.650 26.400 12.916 1.00 34.32 ? 89 ILE F CG1 1 ATOM 4486 C CG2 . ILE F 1 89 ? 9.136 26.626 14.906 1.00 31.55 ? 89 ILE F CG2 1 ATOM 4487 C CD1 . ILE F 1 89 ? 10.170 25.489 11.812 1.00 31.82 ? 89 ILE F CD1 1 ATOM 4488 N N . TRP F 1 90 ? 12.836 24.008 15.059 1.00 31.96 ? 90 TRP F N 1 ATOM 4489 C CA . TRP F 1 90 ? 13.941 23.206 14.584 1.00 32.48 ? 90 TRP F CA 1 ATOM 4490 C C . TRP F 1 90 ? 13.579 21.728 14.507 1.00 32.61 ? 90 TRP F C 1 ATOM 4491 O O . TRP F 1 90 ? 12.749 21.233 15.272 1.00 34.44 ? 90 TRP F O 1 ATOM 4492 C CB . TRP F 1 90 ? 15.159 23.381 15.528 1.00 32.19 ? 90 TRP F CB 1 ATOM 4493 C CG . TRP F 1 90 ? 14.878 22.939 16.927 1.00 29.82 ? 90 TRP F CG 1 ATOM 4494 C CD1 . TRP F 1 90 ? 14.444 23.713 17.961 1.00 29.77 ? 90 TRP F CD1 1 ATOM 4495 C CD2 . TRP F 1 90 ? 14.989 21.609 17.439 1.00 31.79 ? 90 TRP F CD2 1 ATOM 4496 N NE1 . TRP F 1 90 ? 14.276 22.949 19.088 1.00 29.88 ? 90 TRP F NE1 1 ATOM 4497 C CE2 . TRP F 1 90 ? 14.605 21.652 18.797 1.00 32.22 ? 90 TRP F CE2 1 ATOM 4498 C CE3 . TRP F 1 90 ? 15.372 20.379 16.880 1.00 30.51 ? 90 TRP F CE3 1 ATOM 4499 C CZ2 . TRP F 1 90 ? 14.593 20.511 19.611 1.00 32.99 ? 90 TRP F CZ2 1 ATOM 4500 C CZ3 . TRP F 1 90 ? 15.359 19.248 17.688 1.00 31.84 ? 90 TRP F CZ3 1 ATOM 4501 C CH2 . TRP F 1 90 ? 14.971 19.323 19.040 1.00 33.19 ? 90 TRP F CH2 1 ATOM 4502 N N . ILE F 1 91 ? 14.181 21.040 13.547 1.00 32.00 ? 91 ILE F N 1 ATOM 4503 C CA . ILE F 1 91 ? 13.995 19.610 13.411 1.00 33.93 ? 91 ILE F CA 1 ATOM 4504 C C . ILE F 1 91 ? 15.342 18.960 13.082 1.00 35.74 ? 91 ILE F C 1 ATOM 4505 O O . ILE F 1 91 ? 16.087 19.421 12.206 1.00 35.68 ? 91 ILE F O 1 ATOM 4506 C CB . ILE F 1 91 ? 12.935 19.250 12.350 1.00 31.67 ? 91 ILE F CB 1 ATOM 4507 C CG1 . ILE F 1 91 ? 12.800 17.726 12.249 1.00 31.28 ? 91 ILE F CG1 1 ATOM 4508 C CG2 . ILE F 1 91 ? 13.282 19.892 11.022 1.00 32.11 ? 91 ILE F CG2 1 ATOM 4509 C CD1 . ILE F 1 91 ? 11.595 17.271 11.438 1.00 30.02 ? 91 ILE F CD1 1 ATOM 4510 N N . ALA F 1 92 ? 15.650 17.908 13.834 1.00 35.14 ? 92 ALA F N 1 ATOM 4511 C CA . ALA F 1 92 ? 16.876 17.157 13.676 1.00 37.16 ? 92 ALA F CA 1 ATOM 4512 C C . ALA F 1 92 ? 16.542 15.716 13.307 1.00 37.95 ? 92 ALA F C 1 ATOM 4513 O O . ALA F 1 92 ? 15.761 15.069 13.994 1.00 39.26 ? 92 ALA F O 1 ATOM 4514 C CB . ALA F 1 92 ? 17.671 17.181 14.989 1.00 35.85 ? 92 ALA F CB 1 ATOM 4515 N N . CYS F 1 93 ? 17.111 15.228 12.207 1.00 38.58 ? 93 CYS F N 1 ATOM 4516 C CA . CYS F 1 93 ? 16.904 13.844 11.789 1.00 39.52 ? 93 CYS F CA 1 ATOM 4517 C C . CYS F 1 93 ? 18.229 13.210 11.375 1.00 40.60 ? 93 CYS F C 1 ATOM 4518 O O . CYS F 1 93 ? 19.111 13.891 10.857 1.00 39.82 ? 93 CYS F O 1 ATOM 4519 C CB . CYS F 1 93 ? 15.970 13.738 10.583 1.00 38.31 ? 93 CYS F CB 1 ATOM 4520 S SG . CYS F 1 93 ? 14.344 14.535 10.740 1.00 38.19 ? 93 CYS F SG 1 ATOM 4521 N N . ASP F 1 94 ? 18.372 11.911 11.624 1.00 42.26 ? 94 ASP F N 1 ATOM 4522 C CA . ASP F 1 94 ? 19.573 11.211 11.185 1.00 43.31 ? 94 ASP F CA 1 ATOM 4523 C C . ASP F 1 94 ? 19.228 10.285 9.999 1.00 44.40 ? 94 ASP F C 1 ATOM 4524 O O . ASP F 1 94 ? 18.213 10.507 9.318 1.00 43.75 ? 94 ASP F O 1 ATOM 4525 C CB . ASP F 1 94 ? 20.223 10.420 12.331 1.00 44.59 ? 94 ASP F CB 1 ATOM 4526 C CG . ASP F 1 94 ? 19.362 9.269 12.845 1.00 46.21 ? 94 ASP F CG 1 ATOM 4527 O OD1 . ASP F 1 94 ? 18.197 9.117 12.417 1.00 47.71 ? 94 ASP F OD1 1 ATOM 4528 O OD2 . ASP F 1 94 ? 19.867 8.505 13.699 1.00 47.39 ? 94 ASP F OD2 1 ATOM 4529 O OXT . ASP F 1 94 ? 19.973 9.343 9.711 1.00 47.18 ? 94 ASP F OXT 1 HETATM 4530 C C1 . NAG G 2 . ? 25.458 -30.908 23.125 1.00 49.20 ? 101 NAG A C1 1 HETATM 4531 C C2 . NAG G 2 . ? 25.835 -31.701 24.371 1.00 50.22 ? 101 NAG A C2 1 HETATM 4532 C C3 . NAG G 2 . ? 25.974 -30.762 25.565 1.00 53.02 ? 101 NAG A C3 1 HETATM 4533 C C4 . NAG G 2 . ? 26.927 -29.602 25.241 1.00 55.71 ? 101 NAG A C4 1 HETATM 4534 C C5 . NAG G 2 . ? 26.482 -28.920 23.938 1.00 55.68 ? 101 NAG A C5 1 HETATM 4535 C C6 . NAG G 2 . ? 27.384 -27.782 23.501 1.00 54.88 ? 101 NAG A C6 1 HETATM 4536 C C7 . NAG G 2 . ? 25.081 -33.999 24.459 1.00 44.09 ? 101 NAG A C7 1 HETATM 4537 C C8 . NAG G 2 . ? 24.086 -34.988 25.030 1.00 43.61 ? 101 NAG A C8 1 HETATM 4538 N N2 . NAG G 2 . ? 24.824 -32.707 24.654 1.00 47.16 ? 101 NAG A N2 1 HETATM 4539 O O3 . NAG G 2 . ? 26.469 -31.495 26.675 1.00 52.35 ? 101 NAG A O3 1 HETATM 4540 O O4 . NAG G 2 . ? 26.904 -28.636 26.310 1.00 62.22 ? 101 NAG A O4 1 HETATM 4541 O O5 . NAG G 2 . ? 26.438 -29.886 22.862 1.00 51.58 ? 101 NAG A O5 1 HETATM 4542 O O6 . NAG G 2 . ? 28.751 -28.157 23.567 1.00 59.21 ? 101 NAG A O6 1 HETATM 4543 O O7 . NAG G 2 . ? 26.067 -34.410 23.843 1.00 42.81 ? 101 NAG A O7 1 HETATM 4544 C C1 . NAG H 2 . ? 27.759 -28.827 27.389 1.00 67.65 ? 102 NAG A C1 1 HETATM 4545 C C2 . NAG H 2 . ? 28.163 -27.450 27.955 1.00 69.53 ? 102 NAG A C2 1 HETATM 4546 C C3 . NAG H 2 . ? 28.814 -27.552 29.349 1.00 71.82 ? 102 NAG A C3 1 HETATM 4547 C C4 . NAG H 2 . ? 28.040 -28.492 30.276 1.00 73.13 ? 102 NAG A C4 1 HETATM 4548 C C5 . NAG H 2 . ? 27.814 -29.825 29.572 1.00 73.12 ? 102 NAG A C5 1 HETATM 4549 C C6 . NAG H 2 . ? 27.042 -30.809 30.437 1.00 73.66 ? 102 NAG A C6 1 HETATM 4550 C C7 . NAG H 2 . ? 28.735 -25.774 26.306 1.00 70.35 ? 102 NAG A C7 1 HETATM 4551 C C8 . NAG H 2 . ? 29.654 -25.384 25.160 1.00 70.11 ? 102 NAG A C8 1 HETATM 4552 N N2 . NAG H 2 . ? 29.103 -26.817 27.047 1.00 69.69 ? 102 NAG A N2 1 HETATM 4553 O O3 . NAG H 2 . ? 28.865 -26.262 29.941 1.00 71.10 ? 102 NAG A O3 1 HETATM 4554 O O4 . NAG H 2 . ? 28.770 -28.699 31.479 1.00 74.58 ? 102 NAG A O4 1 HETATM 4555 O O5 . NAG H 2 . ? 27.047 -29.602 28.369 1.00 70.78 ? 102 NAG A O5 1 HETATM 4556 O O6 . NAG H 2 . ? 26.628 -31.944 29.689 1.00 76.38 ? 102 NAG A O6 1 HETATM 4557 O O7 . NAG H 2 . ? 27.702 -25.132 26.510 1.00 70.21 ? 102 NAG A O7 1 HETATM 4558 C C1 . MPD I 3 . ? 22.203 -41.822 27.402 1.00 40.49 ? 103 MPD A C1 1 HETATM 4559 C C2 . MPD I 3 . ? 22.726 -42.802 26.381 1.00 42.21 ? 103 MPD A C2 1 HETATM 4560 O O2 . MPD I 3 . ? 22.596 -42.118 25.119 1.00 43.18 ? 103 MPD A O2 1 HETATM 4561 C CM . MPD I 3 . ? 24.164 -43.108 26.615 1.00 42.72 ? 103 MPD A CM 1 HETATM 4562 C C3 . MPD I 3 . ? 21.887 -44.112 26.443 1.00 42.20 ? 103 MPD A C3 1 HETATM 4563 C C4 . MPD I 3 . ? 20.719 -44.401 25.476 1.00 43.16 ? 103 MPD A C4 1 HETATM 4564 O O4 . MPD I 3 . ? 21.117 -44.390 24.126 1.00 42.97 ? 103 MPD A O4 1 HETATM 4565 C C5 . MPD I 3 . ? 20.092 -45.759 25.792 1.00 42.52 ? 103 MPD A C5 1 HETATM 4566 CL CL . CL J 4 . ? 23.491 -48.376 21.236 1.00 78.11 ? 104 CL A CL 1 HETATM 4567 CL CL . CL K 4 . ? 23.974 -33.515 0.654 1.00 69.51 ? 105 CL A CL 1 HETATM 4568 NA NA . NA L 5 . ? 33.120 -34.881 9.786 1.00 65.72 ? 106 NA A NA 1 HETATM 4569 C C1 . NAG M 2 . ? 1.945 -33.654 16.305 1.00 48.56 ? 101 NAG B C1 1 HETATM 4570 C C2 . NAG M 2 . ? 0.942 -34.717 15.933 1.00 49.94 ? 101 NAG B C2 1 HETATM 4571 C C3 . NAG M 2 . ? -0.242 -34.017 15.278 1.00 52.43 ? 101 NAG B C3 1 HETATM 4572 C C4 . NAG M 2 . ? -0.787 -32.874 16.162 1.00 54.56 ? 101 NAG B C4 1 HETATM 4573 C C5 . NAG M 2 . ? 0.356 -31.980 16.681 1.00 54.05 ? 101 NAG B C5 1 HETATM 4574 C C6 . NAG M 2 . ? -0.090 -30.944 17.689 1.00 52.32 ? 101 NAG B C6 1 HETATM 4575 C C7 . NAG M 2 . ? 1.832 -36.900 15.405 1.00 44.59 ? 101 NAG B C7 1 HETATM 4576 C C8 . NAG M 2 . ? 2.391 -37.836 14.352 1.00 43.52 ? 101 NAG B C8 1 HETATM 4577 N N2 . NAG M 2 . ? 1.545 -35.662 15.009 1.00 46.52 ? 101 NAG B N2 1 HETATM 4578 O O3 . NAG M 2 . ? -1.268 -34.962 15.031 1.00 52.26 ? 101 NAG B O3 1 HETATM 4579 O O4 . NAG M 2 . ? -1.675 -32.054 15.380 1.00 60.10 ? 101 NAG B O4 1 HETATM 4580 O O5 . NAG M 2 . ? 1.385 -32.784 17.292 1.00 50.07 ? 101 NAG B O5 1 HETATM 4581 O O6 . NAG M 2 . ? -0.245 -31.522 18.973 1.00 55.05 ? 101 NAG B O6 1 HETATM 4582 O O7 . NAG M 2 . ? 1.665 -37.299 16.560 1.00 43.33 ? 101 NAG B O7 1 HETATM 4583 C C1 . NAG N 2 . ? -3.019 -32.382 15.374 1.00 64.41 ? 102 NAG B C1 1 HETATM 4584 C C2 . NAG N 2 . ? -3.858 -31.105 15.550 1.00 65.13 ? 102 NAG B C2 1 HETATM 4585 C C3 . NAG N 2 . ? -5.349 -31.412 15.353 1.00 67.63 ? 102 NAG B C3 1 HETATM 4586 C C4 . NAG N 2 . ? -5.566 -32.114 14.008 1.00 68.95 ? 102 NAG B C4 1 HETATM 4587 C C5 . NAG N 2 . ? -4.680 -33.365 13.958 1.00 68.52 ? 102 NAG B C5 1 HETATM 4588 C C6 . NAG N 2 . ? -4.780 -34.138 12.664 1.00 69.06 ? 102 NAG B C6 1 HETATM 4589 C C7 . NAG N 2 . ? -3.188 -29.319 17.021 1.00 60.91 ? 102 NAG B C7 1 HETATM 4590 C C8 . NAG N 2 . ? -3.093 -28.792 18.442 1.00 60.06 ? 102 NAG B C8 1 HETATM 4591 N N2 . NAG N 2 . ? -3.645 -30.558 16.875 1.00 62.69 ? 102 NAG B N2 1 HETATM 4592 O O3 . NAG N 2 . ? -6.100 -30.206 15.397 1.00 68.38 ? 102 NAG B O3 1 HETATM 4593 O O4 . NAG N 2 . ? -6.935 -32.475 13.864 1.00 69.62 ? 102 NAG B O4 1 HETATM 4594 O O5 . NAG N 2 . ? -3.297 -32.992 14.108 1.00 67.05 ? 102 NAG B O5 1 HETATM 4595 O O6 . NAG N 2 . ? -3.869 -35.226 12.665 1.00 69.96 ? 102 NAG B O6 1 HETATM 4596 O O7 . NAG N 2 . ? -2.845 -28.608 16.075 1.00 59.93 ? 102 NAG B O7 1 HETATM 4597 CL CL . CL O 4 . ? 8.382 -50.249 15.725 1.00 53.92 ? 103 CL B CL 1 HETATM 4598 CL CL . CL P 4 . ? 22.323 -32.097 26.404 1.00 55.20 ? 104 CL B CL 1 HETATM 4599 NA NA . NA Q 5 . ? 10.524 -35.793 29.772 1.00 56.77 ? 105 NA B NA 1 HETATM 4600 O O . A2G R 6 . ? 3.884 -47.660 13.168 1.00 62.61 ? 101 A2G C O 1 HETATM 4601 C C1 . A2G R 6 . ? 2.614 -47.922 13.797 1.00 64.24 ? 101 A2G C C1 1 HETATM 4602 O O1 . A2G R 6 . ? 1.854 -48.696 12.935 1.00 65.69 ? 101 A2G C O1 1 HETATM 4603 C C2 . A2G R 6 . ? 1.869 -46.615 14.103 1.00 64.25 ? 101 A2G C C2 1 HETATM 4604 N N2 . A2G R 6 . ? 0.535 -46.937 14.578 1.00 67.33 ? 101 A2G C N2 1 HETATM 4605 C C3 . A2G R 6 . ? 1.761 -45.760 12.832 1.00 62.90 ? 101 A2G C C3 1 HETATM 4606 O O3 . A2G R 6 . ? 1.210 -44.494 13.153 1.00 62.25 ? 101 A2G C O3 1 HETATM 4607 C C4 . A2G R 6 . ? 3.133 -45.567 12.186 1.00 61.29 ? 101 A2G C C4 1 HETATM 4608 O O4 . A2G R 6 . ? 3.965 -44.816 13.062 1.00 59.97 ? 101 A2G C O4 1 HETATM 4609 C C5 . A2G R 6 . ? 3.752 -46.938 11.923 1.00 60.74 ? 101 A2G C C5 1 HETATM 4610 C C6 . A2G R 6 . ? 5.125 -46.881 11.266 1.00 58.94 ? 101 A2G C C6 1 HETATM 4611 O O6 . A2G R 6 . ? 6.134 -46.459 12.172 1.00 55.55 ? 101 A2G C O6 1 HETATM 4612 C C7 . A2G R 6 . ? 0.070 -46.437 15.720 1.00 70.44 ? 101 A2G C C7 1 HETATM 4613 O O7 . A2G R 6 . ? 0.706 -45.653 16.427 1.00 72.78 ? 101 A2G C O7 1 HETATM 4614 C C8 . A2G R 6 . ? -1.323 -46.880 16.143 1.00 71.79 ? 101 A2G C C8 1 HETATM 4615 C C1 . NAG S 2 . ? 19.807 -33.056 -0.522 1.00 50.61 ? 102 NAG C C1 1 HETATM 4616 C C2 . NAG S 2 . ? 20.680 -33.995 -1.347 1.00 51.29 ? 102 NAG C C2 1 HETATM 4617 C C3 . NAG S 2 . ? 21.622 -33.135 -2.192 1.00 55.05 ? 102 NAG C C3 1 HETATM 4618 C C4 . NAG S 2 . ? 20.797 -32.185 -3.074 1.00 57.48 ? 102 NAG C C4 1 HETATM 4619 C C5 . NAG S 2 . ? 19.854 -31.356 -2.181 1.00 56.03 ? 102 NAG C C5 1 HETATM 4620 C C6 . NAG S 2 . ? 18.970 -30.421 -2.963 1.00 54.69 ? 102 NAG C C6 1 HETATM 4621 C C7 . NAG S 2 . ? 21.104 -36.133 -0.317 1.00 47.02 ? 102 NAG C C7 1 HETATM 4622 C C8 . NAG S 2 . ? 21.992 -36.978 0.575 1.00 44.83 ? 102 NAG C C8 1 HETATM 4623 N N2 . NAG S 2 . ? 21.440 -34.853 -0.456 1.00 48.31 ? 102 NAG C N2 1 HETATM 4624 O O3 . NAG S 2 . ? 22.438 -33.965 -3.003 1.00 52.03 ? 102 NAG C O3 1 HETATM 4625 O O4 . NAG S 2 . ? 21.668 -31.314 -3.827 1.00 64.49 ? 102 NAG C O4 1 HETATM 4626 O O5 . NAG S 2 . ? 18.990 -32.243 -1.414 1.00 52.14 ? 102 NAG C O5 1 HETATM 4627 O O6 . NAG S 2 . ? 17.909 -31.135 -3.575 1.00 55.37 ? 102 NAG C O6 1 HETATM 4628 O O7 . NAG S 2 . ? 20.120 -36.639 -0.868 1.00 46.50 ? 102 NAG C O7 1 HETATM 4629 C C1 . NAG T 2 . ? 21.954 -31.703 -5.130 1.00 69.38 ? 103 NAG C C1 1 HETATM 4630 C C2 . NAG T 2 . ? 21.982 -30.475 -6.049 1.00 71.31 ? 103 NAG C C2 1 HETATM 4631 C C3 . NAG T 2 . ? 22.412 -30.892 -7.456 1.00 73.86 ? 103 NAG C C3 1 HETATM 4632 C C4 . NAG T 2 . ? 23.762 -31.604 -7.384 1.00 74.99 ? 103 NAG C C4 1 HETATM 4633 C C5 . NAG T 2 . ? 23.642 -32.800 -6.440 1.00 74.61 ? 103 NAG C C5 1 HETATM 4634 C C6 . NAG T 2 . ? 24.954 -33.539 -6.276 1.00 75.51 ? 103 NAG C C6 1 HETATM 4635 C C7 . NAG T 2 . ? 20.487 -28.644 -5.601 1.00 70.39 ? 103 NAG C C7 1 HETATM 4636 C C8 . NAG T 2 . ? 19.214 -27.921 -6.006 1.00 68.83 ? 103 NAG C C8 1 HETATM 4637 N N2 . NAG T 2 . ? 20.669 -29.864 -6.096 1.00 71.25 ? 103 NAG C N2 1 HETATM 4638 O O3 . NAG T 2 . ? 22.514 -29.748 -8.289 1.00 75.27 ? 103 NAG C O3 1 HETATM 4639 O O4 . NAG T 2 . ? 24.149 -32.043 -8.679 1.00 76.84 ? 103 NAG C O4 1 HETATM 4640 O O5 . NAG T 2 . ? 23.236 -32.350 -5.126 1.00 72.53 ? 103 NAG C O5 1 HETATM 4641 O O6 . NAG T 2 . ? 25.008 -34.217 -5.029 1.00 77.36 ? 103 NAG C O6 1 HETATM 4642 O O7 . NAG T 2 . ? 21.297 -28.098 -4.846 1.00 69.38 ? 103 NAG C O7 1 HETATM 4643 C C1 . MPD U 3 . ? 25.559 -43.130 1.789 1.00 49.57 ? 104 MPD C C1 1 HETATM 4644 C C2 . MPD U 3 . ? 24.542 -44.174 2.227 1.00 50.66 ? 104 MPD C C2 1 HETATM 4645 O O2 . MPD U 3 . ? 23.477 -43.453 2.892 1.00 49.13 ? 104 MPD C O2 1 HETATM 4646 C CM . MPD U 3 . ? 23.991 -44.902 1.045 1.00 48.54 ? 104 MPD C CM 1 HETATM 4647 C C3 . MPD U 3 . ? 25.220 -45.208 3.185 1.00 49.96 ? 104 MPD C C3 1 HETATM 4648 C C4 . MPD U 3 . ? 25.075 -45.216 4.719 1.00 49.23 ? 104 MPD C C4 1 HETATM 4649 O O4 . MPD U 3 . ? 23.723 -45.257 5.118 1.00 51.50 ? 104 MPD C O4 1 HETATM 4650 C C5 . MPD U 3 . ? 25.779 -46.438 5.297 1.00 48.45 ? 104 MPD C C5 1 HETATM 4651 CL CL . CL V 4 . ? 20.262 -49.783 5.364 1.00 58.27 ? 105 CL C CL 1 HETATM 4652 CL CL . CL W 4 . ? 1.210 -34.900 11.975 1.00 65.73 ? 106 CL C CL 1 HETATM 4653 NA NA . NA X 5 . ? 4.634 -38.517 0.146 1.00 54.83 ? 107 NA C NA 1 HETATM 4654 C C1 . NAG Y 2 . ? 0.772 32.263 18.512 1.00 45.58 ? 101 NAG D C1 1 HETATM 4655 C C2 . NAG Y 2 . ? 0.397 33.281 19.557 1.00 46.22 ? 101 NAG D C2 1 HETATM 4656 C C3 . NAG Y 2 . ? 0.272 32.589 20.902 1.00 48.81 ? 101 NAG D C3 1 HETATM 4657 C C4 . NAG Y 2 . ? -0.685 31.395 20.817 1.00 50.84 ? 101 NAG D C4 1 HETATM 4658 C C5 . NAG Y 2 . ? -0.316 30.484 19.639 1.00 51.07 ? 101 NAG D C5 1 HETATM 4659 C C6 . NAG Y 2 . ? -1.354 29.410 19.442 1.00 50.72 ? 101 NAG D C6 1 HETATM 4660 C C7 . NAG Y 2 . ? 1.158 35.533 19.136 1.00 41.50 ? 101 NAG D C7 1 HETATM 4661 C C8 . NAG Y 2 . ? 2.186 36.617 19.379 1.00 38.37 ? 101 NAG D C8 1 HETATM 4662 N N2 . NAG Y 2 . ? 1.418 34.318 19.615 1.00 42.46 ? 101 NAG D N2 1 HETATM 4663 O O3 . NAG Y 2 . ? -0.211 33.514 21.859 1.00 48.19 ? 101 NAG D O3 1 HETATM 4664 O O4 . NAG Y 2 . ? -0.613 30.629 22.034 1.00 57.62 ? 101 NAG D O4 1 HETATM 4665 O O5 . NAG Y 2 . ? -0.252 31.249 18.409 1.00 48.44 ? 101 NAG D O5 1 HETATM 4666 O O6 . NAG Y 2 . ? -2.649 29.990 19.351 1.00 51.85 ? 101 NAG D O6 1 HETATM 4667 O O7 . NAG Y 2 . ? 0.125 35.801 18.512 1.00 42.27 ? 101 NAG D O7 1 HETATM 4668 C C1 . NAG Z 2 . ? -1.513 30.937 23.047 1.00 63.04 ? 102 NAG D C1 1 HETATM 4669 C C2 . NAG Z 2 . ? -1.833 29.667 23.843 1.00 64.70 ? 102 NAG D C2 1 HETATM 4670 C C3 . NAG Z 2 . ? -2.670 29.995 25.083 1.00 66.87 ? 102 NAG D C3 1 HETATM 4671 C C4 . NAG Z 2 . ? -2.051 31.136 25.893 1.00 68.20 ? 102 NAG D C4 1 HETATM 4672 C C5 . NAG Z 2 . ? -1.742 32.329 24.983 1.00 68.17 ? 102 NAG D C5 1 HETATM 4673 C C6 . NAG Z 2 . ? -1.004 33.434 25.720 1.00 68.53 ? 102 NAG D C6 1 HETATM 4674 C C7 . NAG Z 2 . ? -2.068 27.550 22.703 1.00 64.18 ? 102 NAG D C7 1 HETATM 4675 C C8 . NAG Z 2 . ? -2.940 26.642 21.853 1.00 62.77 ? 102 NAG D C8 1 HETATM 4676 N N2 . NAG Z 2 . ? -2.570 28.745 23.001 1.00 64.87 ? 102 NAG D N2 1 HETATM 4677 O O3 . NAG Z 2 . ? -2.757 28.839 25.901 1.00 67.91 ? 102 NAG D O3 1 HETATM 4678 O O4 . NAG Z 2 . ? -2.951 31.537 26.919 1.00 69.15 ? 102 NAG D O4 1 HETATM 4679 O O5 . NAG Z 2 . ? -0.893 31.911 23.894 1.00 66.06 ? 102 NAG D O5 1 HETATM 4680 O O6 . NAG Z 2 . ? -0.533 34.427 24.819 1.00 70.21 ? 102 NAG D O6 1 HETATM 4681 O O7 . NAG Z 2 . ? -0.954 27.167 23.078 1.00 64.24 ? 102 NAG D O7 1 HETATM 4682 C C1 . MPD AA 3 . ? 0.159 41.020 -4.477 1.00 44.30 ? 103 MPD D C1 1 HETATM 4683 C C2 . MPD AA 3 . ? 1.214 42.100 -4.351 1.00 47.38 ? 103 MPD D C2 1 HETATM 4684 O O2 . MPD AA 3 . ? 2.320 41.483 -3.643 1.00 46.33 ? 103 MPD D O2 1 HETATM 4685 C CM . MPD AA 3 . ? 1.677 42.537 -5.701 1.00 45.70 ? 103 MPD D CM 1 HETATM 4686 C C3 . MPD AA 3 . ? 0.632 43.332 -3.581 1.00 45.95 ? 103 MPD D C3 1 HETATM 4687 C C4 . MPD AA 3 . ? 0.886 43.607 -2.082 1.00 46.60 ? 103 MPD D C4 1 HETATM 4688 O O4 . MPD AA 3 . ? 2.244 43.689 -1.697 1.00 47.15 ? 103 MPD D O4 1 HETATM 4689 C C5 . MPD AA 3 . ? 0.205 44.906 -1.673 1.00 45.85 ? 103 MPD D C5 1 HETATM 4690 CL CL . CL BA 4 . ? 3.209 49.275 13.646 1.00 53.99 ? 104 CL D CL 1 HETATM 4691 CL CL . CL CA 4 . ? 1.609 31.428 -4.149 1.00 60.78 ? 105 CL D CL 1 HETATM 4692 NA NA . NA DA 5 . ? -6.958 33.829 4.468 1.00 59.74 ? 106 NA D NA 1 HETATM 4693 C C1 . NAG EA 2 . ? 5.833 30.584 -5.504 1.00 49.29 ? 101 NAG E C1 1 HETATM 4694 C C2 . NAG EA 2 . ? 4.969 31.411 -6.413 1.00 50.66 ? 101 NAG E C2 1 HETATM 4695 C C3 . NAG EA 2 . ? 3.998 30.526 -7.178 1.00 53.65 ? 101 NAG E C3 1 HETATM 4696 C C4 . NAG EA 2 . ? 4.747 29.394 -7.889 1.00 56.11 ? 101 NAG E C4 1 HETATM 4697 C C5 . NAG EA 2 . ? 5.614 28.648 -6.873 1.00 55.83 ? 101 NAG E C5 1 HETATM 4698 C C6 . NAG EA 2 . ? 6.402 27.511 -7.483 1.00 55.00 ? 101 NAG E C6 1 HETATM 4699 C C7 . NAG EA 2 . ? 4.608 33.675 -5.634 1.00 47.00 ? 101 NAG E C7 1 HETATM 4700 C C8 . NAG EA 2 . ? 3.823 34.618 -4.745 1.00 45.28 ? 101 NAG E C8 1 HETATM 4701 N N2 . NAG EA 2 . ? 4.244 32.394 -5.622 1.00 49.00 ? 101 NAG E N2 1 HETATM 4702 O O3 . NAG EA 2 . ? 3.296 31.308 -8.133 1.00 53.33 ? 101 NAG E O3 1 HETATM 4703 O O4 . NAG EA 2 . ? 3.804 28.477 -8.480 1.00 62.31 ? 101 NAG E O4 1 HETATM 4704 O O5 . NAG EA 2 . ? 6.552 29.569 -6.253 1.00 52.74 ? 101 NAG E O5 1 HETATM 4705 O O6 . NAG EA 2 . ? 7.529 27.994 -8.197 1.00 57.46 ? 101 NAG E O6 1 HETATM 4706 O O7 . NAG EA 2 . ? 5.539 34.107 -6.320 1.00 46.93 ? 101 NAG E O7 1 HETATM 4707 C C1 . NAG FA 2 . ? 3.418 28.740 -9.785 1.00 67.23 ? 102 NAG E C1 1 HETATM 4708 C C2 . NAG FA 2 . ? 3.148 27.430 -10.527 1.00 68.99 ? 102 NAG E C2 1 HETATM 4709 C C3 . NAG FA 2 . ? 2.655 27.740 -11.945 1.00 71.44 ? 102 NAG E C3 1 HETATM 4710 C C4 . NAG FA 2 . ? 1.449 28.696 -11.904 1.00 72.88 ? 102 NAG E C4 1 HETATM 4711 C C5 . NAG FA 2 . ? 1.784 29.934 -11.056 1.00 72.04 ? 102 NAG E C5 1 HETATM 4712 C C6 . NAG FA 2 . ? 0.599 30.864 -10.863 1.00 71.98 ? 102 NAG E C6 1 HETATM 4713 C C7 . NAG FA 2 . ? 4.458 25.533 -9.822 1.00 66.19 ? 102 NAG E C7 1 HETATM 4714 C C8 . NAG FA 2 . ? 5.823 24.868 -9.754 1.00 64.87 ? 102 NAG E C8 1 HETATM 4715 N N2 . NAG FA 2 . ? 4.351 26.621 -10.581 1.00 67.62 ? 102 NAG E N2 1 HETATM 4716 O O3 . NAG FA 2 . ? 2.283 26.532 -12.593 1.00 71.73 ? 102 NAG E O3 1 HETATM 4717 O O4 . NAG FA 2 . ? 1.105 29.098 -13.226 1.00 74.54 ? 102 NAG E O4 1 HETATM 4718 O O5 . NAG FA 2 . ? 2.221 29.528 -9.741 1.00 70.08 ? 102 NAG E O5 1 HETATM 4719 O O6 . NAG FA 2 . ? -0.232 30.428 -9.795 1.00 72.49 ? 102 NAG E O6 1 HETATM 4720 O O7 . NAG FA 2 . ? 3.514 25.062 -9.186 1.00 64.90 ? 102 NAG E O7 1 HETATM 4721 CL CL . CL GA 4 . ? 5.605 47.798 -2.213 1.00 68.00 ? 103 CL E CL 1 HETATM 4722 CL CL . CL HA 4 . ? 24.798 34.004 6.274 1.00 70.53 ? 104 CL E CL 1 HETATM 4723 NA NA . NA IA 5 . ? 21.051 35.713 -5.868 1.00 56.33 ? 105 NA E NA 1 HETATM 4724 C C1 . NAG JA 2 . ? 23.966 33.134 11.001 1.00 49.44 ? 101 NAG F C1 1 HETATM 4725 C C2 . NAG JA 2 . ? 25.008 34.057 10.428 1.00 50.73 ? 101 NAG F C2 1 HETATM 4726 C C3 . NAG JA 2 . ? 26.166 33.203 9.930 1.00 54.38 ? 101 NAG F C3 1 HETATM 4727 C C4 . NAG JA 2 . ? 26.680 32.264 11.046 1.00 56.52 ? 101 NAG F C4 1 HETATM 4728 C C5 . NAG JA 2 . ? 25.516 31.503 11.704 1.00 54.94 ? 101 NAG F C5 1 HETATM 4729 C C6 . NAG JA 2 . ? 25.949 30.729 12.924 1.00 54.43 ? 101 NAG F C6 1 HETATM 4730 C C7 . NAG JA 2 . ? 24.204 36.144 9.512 1.00 46.03 ? 101 NAG F C7 1 HETATM 4731 C C8 . NAG JA 2 . ? 23.880 36.963 8.275 1.00 44.78 ? 101 NAG F C8 1 HETATM 4732 N N2 . NAG JA 2 . ? 24.441 34.844 9.342 1.00 47.81 ? 101 NAG F N2 1 HETATM 4733 O O3 . NAG JA 2 . ? 27.217 34.053 9.494 1.00 54.58 ? 101 NAG F O3 1 HETATM 4734 O O4 . NAG JA 2 . ? 27.592 31.298 10.489 1.00 62.86 ? 101 NAG F O4 1 HETATM 4735 O O5 . NAG JA 2 . ? 24.484 32.418 12.125 1.00 52.27 ? 101 NAG F O5 1 HETATM 4736 O O6 . NAG JA 2 . ? 26.315 31.614 13.975 1.00 58.04 ? 101 NAG F O6 1 HETATM 4737 O O7 . NAG JA 2 . ? 24.235 36.695 10.617 1.00 44.53 ? 101 NAG F O7 1 HETATM 4738 C C1 . NAG KA 2 . ? 28.918 31.659 10.300 1.00 67.72 ? 102 NAG F C1 1 HETATM 4739 C C2 . NAG KA 2 . ? 29.806 30.408 10.451 1.00 69.80 ? 102 NAG F C2 1 HETATM 4740 C C3 . NAG KA 2 . ? 31.248 30.681 9.996 1.00 72.11 ? 102 NAG F C3 1 HETATM 4741 C C4 . NAG KA 2 . ? 31.259 31.323 8.605 1.00 72.94 ? 102 NAG F C4 1 HETATM 4742 C C5 . NAG KA 2 . ? 30.382 32.574 8.635 1.00 72.22 ? 102 NAG F C5 1 HETATM 4743 C C6 . NAG KA 2 . ? 30.336 33.308 7.309 1.00 71.90 ? 102 NAG F C6 1 HETATM 4744 C C7 . NAG KA 2 . ? 29.080 28.917 12.200 1.00 68.30 ? 102 NAG F C7 1 HETATM 4745 C C8 . NAG KA 2 . ? 28.794 28.751 13.686 1.00 66.48 ? 102 NAG F C8 1 HETATM 4746 N N2 . NAG KA 2 . ? 29.812 29.965 11.834 1.00 68.88 ? 102 NAG F N2 1 HETATM 4747 O O3 . NAG KA 2 . ? 31.976 29.462 9.963 1.00 72.84 ? 102 NAG F O3 1 HETATM 4748 O O4 . NAG KA 2 . ? 32.588 31.667 8.237 1.00 75.06 ? 102 NAG F O4 1 HETATM 4749 O O5 . NAG KA 2 . ? 29.030 32.203 8.973 1.00 69.82 ? 102 NAG F O5 1 HETATM 4750 O O6 . NAG KA 2 . ? 29.746 32.504 6.299 1.00 73.70 ? 102 NAG F O6 1 HETATM 4751 O O7 . NAG KA 2 . ? 28.634 28.099 11.393 1.00 68.36 ? 102 NAG F O7 1 HETATM 4752 C C1 . GLA LA 7 . ? 2.466 46.594 19.399 1.00 57.02 ? 103 GLA F C1 1 HETATM 4753 C C2 . GLA LA 7 . ? 2.023 45.195 19.854 1.00 56.05 ? 103 GLA F C2 1 HETATM 4754 C C3 . GLA LA 7 . ? 3.157 44.524 20.628 1.00 54.85 ? 103 GLA F C3 1 HETATM 4755 C C4 . GLA LA 7 . ? 4.393 44.470 19.739 1.00 55.40 ? 103 GLA F C4 1 HETATM 4756 C C5 . GLA LA 7 . ? 4.771 45.896 19.327 1.00 55.54 ? 103 GLA F C5 1 HETATM 4757 C C6 . GLA LA 7 . ? 5.978 45.936 18.411 1.00 55.00 ? 103 GLA F C6 1 HETATM 4758 O O1 . GLA LA 7 . ? 2.717 47.392 20.503 1.00 56.83 ? 103 GLA F O1 1 HETATM 4759 O O2 . GLA LA 7 . ? 0.867 45.298 20.671 1.00 57.92 ? 103 GLA F O2 1 HETATM 4760 O O3 . GLA LA 7 . ? 2.780 43.209 21.003 1.00 54.18 ? 103 GLA F O3 1 HETATM 4761 O O4 . GLA LA 7 . ? 4.099 43.699 18.580 1.00 54.27 ? 103 GLA F O4 1 HETATM 4762 O O5 . GLA LA 7 . ? 3.674 46.513 18.615 1.00 56.84 ? 103 GLA F O5 1 HETATM 4763 O O6 . GLA LA 7 . ? 5.671 45.389 17.136 1.00 56.22 ? 103 GLA F O6 1 HETATM 4764 CL CL . CL MA 4 . ? 17.903 49.858 7.950 1.00 61.69 ? 104 CL F CL 1 HETATM 4765 CL CL . CL NA 4 . ? 3.864 33.689 21.221 1.00 58.92 ? 105 CL F CL 1 HETATM 4766 NA NA . NA OA 5 . ? 15.862 37.826 23.973 1.00 59.64 ? 106 NA F NA 1 HETATM 4767 O O . HOH PA 8 . ? 24.103 -45.381 15.344 1.00 38.81 ? 501 HOH A O 1 HETATM 4768 O O . HOH PA 8 . ? 19.539 -45.701 14.864 1.00 33.42 ? 502 HOH A O 1 HETATM 4769 O O . HOH PA 8 . ? 29.764 -41.411 13.608 1.00 46.08 ? 503 HOH A O 1 HETATM 4770 O O . HOH PA 8 . ? 29.493 -38.724 14.335 1.00 48.35 ? 504 HOH A O 1 HETATM 4771 O O . HOH PA 8 . ? 20.401 -27.237 18.732 1.00 36.50 ? 505 HOH A O 1 HETATM 4772 O O . HOH PA 8 . ? 29.172 -39.174 1.779 1.00 44.86 ? 506 HOH A O 1 HETATM 4773 O O . HOH PA 8 . ? 20.274 -24.669 19.385 1.00 45.92 ? 507 HOH A O 1 HETATM 4774 O O . HOH PA 8 . ? 30.135 -28.051 13.289 1.00 49.50 ? 508 HOH A O 1 HETATM 4775 O O . HOH PA 8 . ? 30.199 -27.520 10.737 1.00 47.78 ? 509 HOH A O 1 HETATM 4776 O O . HOH PA 8 . ? 21.899 -18.453 21.808 1.00 47.17 ? 510 HOH A O 1 HETATM 4777 O O . HOH PA 8 . ? 19.085 -19.030 22.600 1.00 54.33 ? 511 HOH A O 1 HETATM 4778 O O . HOH PA 8 . ? 25.682 -27.000 3.279 1.00 45.14 ? 512 HOH A O 1 HETATM 4779 O O . HOH PA 8 . ? 22.888 -15.868 22.508 1.00 57.66 ? 513 HOH A O 1 HETATM 4780 O O . HOH PA 8 . ? 7.400 -2.818 17.946 1.00 45.64 ? 514 HOH A O 1 HETATM 4781 O O . HOH PA 8 . ? 26.751 -18.517 23.809 1.00 52.56 ? 515 HOH A O 1 HETATM 4782 O O . HOH PA 8 . ? 24.999 -23.488 23.679 1.00 67.18 ? 516 HOH A O 1 HETATM 4783 O O . HOH PA 8 . ? 29.245 -41.817 18.473 1.00 54.02 ? 517 HOH A O 1 HETATM 4784 O O . HOH PA 8 . ? 22.547 -52.848 10.998 1.00 49.97 ? 518 HOH A O 1 HETATM 4785 O O . HOH PA 8 . ? 16.233 -13.200 18.748 1.00 44.33 ? 519 HOH A O 1 HETATM 4786 O O . HOH PA 8 . ? 19.251 -45.428 12.388 1.00 35.85 ? 520 HOH A O 1 HETATM 4787 O O . HOH QA 8 . ? 17.238 -45.315 16.646 1.00 33.62 ? 201 HOH B O 1 HETATM 4788 O O . HOH QA 8 . ? 12.403 -46.316 19.084 1.00 36.26 ? 202 HOH B O 1 HETATM 4789 O O . HOH QA 8 . ? 15.070 -46.145 15.473 1.00 34.80 ? 203 HOH B O 1 HETATM 4790 O O . HOH QA 8 . ? 10.203 -42.340 25.203 1.00 45.13 ? 204 HOH B O 1 HETATM 4791 O O . HOH QA 8 . ? 8.869 -40.112 24.156 1.00 33.83 ? 205 HOH B O 1 HETATM 4792 O O . HOH QA 8 . ? 7.467 -28.818 14.303 1.00 35.25 ? 206 HOH B O 1 HETATM 4793 O O . HOH QA 8 . ? 20.090 -38.404 30.457 1.00 39.39 ? 207 HOH B O 1 HETATM 4794 O O . HOH QA 8 . ? 6.404 -26.299 13.549 1.00 43.02 ? 208 HOH B O 1 HETATM 4795 O O . HOH QA 8 . ? 7.464 -29.573 25.411 1.00 44.15 ? 209 HOH B O 1 HETATM 4796 O O . HOH QA 8 . ? 9.561 -28.504 26.427 1.00 47.55 ? 210 HOH B O 1 HETATM 4797 O O . HOH QA 8 . ? -2.952 -24.713 18.170 1.00 57.48 ? 211 HOH B O 1 HETATM 4798 O O . HOH QA 8 . ? 0.528 -18.654 14.417 1.00 57.74 ? 212 HOH B O 1 HETATM 4799 O O . HOH QA 8 . ? 9.611 -3.710 2.658 1.00 51.12 ? 213 HOH B O 1 HETATM 4800 O O . HOH QA 8 . ? 8.827 -35.940 27.047 1.00 47.57 ? 214 HOH B O 1 HETATM 4801 O O . HOH QA 8 . ? 3.348 -26.007 14.880 1.00 57.60 ? 215 HOH B O 1 HETATM 4802 O O . HOH QA 8 . ? 5.530 -9.020 6.469 1.00 67.95 ? 216 HOH B O 1 HETATM 4803 O O . HOH RA 8 . ? 2.959 -27.889 13.001 1.00 55.41 ? 201 HOH C O 1 HETATM 4804 O O . HOH RA 8 . ? 3.331 -32.274 12.914 1.00 46.20 ? 202 HOH C O 1 HETATM 4805 O O . HOH RA 8 . ? 14.467 -45.693 12.853 1.00 35.93 ? 203 HOH C O 1 HETATM 4806 O O . HOH RA 8 . ? 14.730 -46.935 7.250 1.00 43.95 ? 204 HOH C O 1 HETATM 4807 O O . HOH RA 8 . ? 16.717 -46.258 11.384 1.00 37.61 ? 205 HOH C O 1 HETATM 4808 O O . HOH RA 8 . ? 10.846 -41.248 1.642 1.00 45.05 ? 206 HOH C O 1 HETATM 4809 O O . HOH RA 8 . ? 18.032 -28.421 5.249 1.00 37.55 ? 207 HOH C O 1 HETATM 4810 O O . HOH RA 8 . ? -0.321 -41.462 8.342 1.00 58.33 ? 208 HOH C O 1 HETATM 4811 O O . HOH RA 8 . ? 8.267 -31.149 -0.154 1.00 43.21 ? 209 HOH C O 1 HETATM 4812 O O . HOH RA 8 . ? -0.007 -35.332 4.054 1.00 53.13 ? 210 HOH C O 1 HETATM 4813 O O . HOH RA 8 . ? 4.858 -24.410 3.879 1.00 49.35 ? 211 HOH C O 1 HETATM 4814 O O . HOH RA 8 . ? 2.907 -23.436 5.932 1.00 49.59 ? 212 HOH C O 1 HETATM 4815 O O . HOH RA 8 . ? 11.324 -20.103 -7.049 1.00 64.53 ? 213 HOH C O 1 HETATM 4816 O O . HOH RA 8 . ? 19.084 -19.917 0.802 1.00 45.08 ? 214 HOH C O 1 HETATM 4817 O O . HOH RA 8 . ? 2.073 -28.826 8.218 1.00 53.40 ? 215 HOH C O 1 HETATM 4818 O O . HOH RA 8 . ? 21.985 -2.084 12.037 1.00 48.51 ? 216 HOH C O 1 HETATM 4819 O O . HOH RA 8 . ? 18.298 -21.316 -4.247 1.00 53.73 ? 217 HOH C O 1 HETATM 4820 O O . HOH RA 8 . ? 13.613 -28.055 -8.390 1.00 62.05 ? 218 HOH C O 1 HETATM 4821 O O . HOH RA 8 . ? 7.378 -21.205 -6.001 1.00 63.54 ? 219 HOH C O 1 HETATM 4822 O O . HOH RA 8 . ? 7.599 -38.023 0.114 1.00 42.67 ? 220 HOH C O 1 HETATM 4823 O O . HOH RA 8 . ? 6.615 -11.318 8.290 1.00 47.06 ? 221 HOH C O 1 HETATM 4824 O O . HOH RA 8 . ? 18.966 -44.389 -3.711 1.00 43.30 ? 222 HOH C O 1 HETATM 4825 O O . HOH RA 8 . ? 20.821 -7.009 7.311 1.00 74.96 ? 223 HOH C O 1 HETATM 4826 O O . HOH SA 8 . ? 7.289 4.698 21.092 1.00 53.22 ? 201 HOH D O 1 HETATM 4827 O O . HOH SA 8 . ? 2.379 45.269 8.487 1.00 39.80 ? 202 HOH D O 1 HETATM 4828 O O . HOH SA 8 . ? 6.820 45.378 7.673 1.00 35.28 ? 203 HOH D O 1 HETATM 4829 O O . HOH SA 8 . ? -3.303 38.699 9.008 1.00 40.67 ? 204 HOH D O 1 HETATM 4830 O O . HOH SA 8 . ? 5.292 27.747 14.543 1.00 37.56 ? 205 HOH D O 1 HETATM 4831 O O . HOH SA 8 . ? -3.440 37.267 -4.098 1.00 46.30 ? 206 HOH D O 1 HETATM 4832 O O . HOH SA 8 . ? 5.597 25.255 15.531 1.00 36.83 ? 207 HOH D O 1 HETATM 4833 O O . HOH SA 8 . ? -4.401 28.069 9.425 1.00 42.59 ? 208 HOH D O 1 HETATM 4834 O O . HOH SA 8 . ? -4.459 27.286 7.043 1.00 49.27 ? 209 HOH D O 1 HETATM 4835 O O . HOH SA 8 . ? -6.338 31.328 -0.456 1.00 53.16 ? 210 HOH D O 1 HETATM 4836 O O . HOH SA 8 . ? 3.717 19.462 19.041 1.00 55.54 ? 211 HOH D O 1 HETATM 4837 O O . HOH SA 8 . ? 17.489 -3.754 22.045 1.00 50.58 ? 212 HOH D O 1 HETATM 4838 O O . HOH SA 8 . ? 2.853 16.993 20.104 1.00 52.12 ? 213 HOH D O 1 HETATM 4839 O O . HOH SA 8 . ? 17.909 3.345 17.432 1.00 47.74 ? 214 HOH D O 1 HETATM 4840 O O . HOH SA 8 . ? 0.337 25.310 20.072 1.00 61.62 ? 215 HOH D O 1 HETATM 4841 O O . HOH SA 8 . ? -7.636 25.327 18.569 1.00 58.73 ? 216 HOH D O 1 HETATM 4842 O O . HOH SA 8 . ? -5.413 34.361 7.524 1.00 56.85 ? 217 HOH D O 1 HETATM 4843 O O . HOH SA 8 . ? 6.177 20.043 19.925 1.00 52.77 ? 218 HOH D O 1 HETATM 4844 O O . HOH SA 8 . ? 2.086 21.567 19.386 1.00 55.67 ? 219 HOH D O 1 HETATM 4845 O O . HOH SA 8 . ? 7.108 44.628 5.208 1.00 37.52 ? 220 HOH D O 1 HETATM 4846 O O . HOH TA 8 . ? 11.633 45.294 0.019 1.00 41.52 ? 201 HOH E O 1 HETATM 4847 O O . HOH TA 8 . ? 9.690 45.175 4.176 1.00 35.03 ? 202 HOH E O 1 HETATM 4848 O O . HOH TA 8 . ? 16.050 41.529 -4.441 1.00 43.72 ? 203 HOH E O 1 HETATM 4849 O O . HOH TA 8 . ? 14.951 38.863 -4.659 1.00 42.14 ? 204 HOH E O 1 HETATM 4850 O O . HOH TA 8 . ? 7.686 26.693 0.923 1.00 32.18 ? 205 HOH E O 1 HETATM 4851 O O . HOH TA 8 . ? 26.148 39.780 1.687 1.00 49.69 ? 206 HOH E O 1 HETATM 4852 O O . HOH TA 8 . ? 7.375 24.102 0.657 1.00 39.86 ? 207 HOH E O 1 HETATM 4853 O O . HOH TA 8 . ? 16.987 28.342 -5.136 1.00 48.41 ? 208 HOH E O 1 HETATM 4854 O O . HOH TA 8 . ? 25.926 33.051 -1.955 1.00 49.60 ? 209 HOH E O 1 HETATM 4855 O O . HOH TA 8 . ? 20.780 22.457 0.074 1.00 48.34 ? 210 HOH E O 1 HETATM 4856 O O . HOH TA 8 . ? 6.151 17.542 -1.998 1.00 54.76 ? 211 HOH E O 1 HETATM 4857 O O . HOH TA 8 . ? 3.650 29.590 -2.479 1.00 53.92 ? 212 HOH E O 1 HETATM 4858 O O . HOH TA 8 . ? 23.771 27.309 3.519 1.00 47.87 ? 213 HOH E O 1 HETATM 4859 O O . HOH TA 8 . ? 22.027 18.226 -4.430 1.00 53.42 ? 214 HOH E O 1 HETATM 4860 O O . HOH TA 8 . ? 6.171 15.099 -3.596 1.00 54.83 ? 215 HOH E O 1 HETATM 4861 O O . HOH TA 8 . ? 3.460 1.623 11.706 1.00 51.07 ? 216 HOH E O 1 HETATM 4862 O O . HOH TA 8 . ? 6.173 23.115 -5.642 1.00 54.77 ? 217 HOH E O 1 HETATM 4863 O O . HOH TA 8 . ? 6.395 51.380 -0.142 1.00 54.68 ? 218 HOH E O 1 HETATM 4864 O O . HOH TA 8 . ? 6.232 19.524 -3.675 1.00 50.22 ? 219 HOH E O 1 HETATM 4865 O O . HOH TA 8 . ? 11.817 44.949 5.698 1.00 31.38 ? 220 HOH E O 1 HETATM 4866 O O . HOH UA 8 . ? 8.961 45.180 9.613 1.00 36.69 ? 201 HOH F O 1 HETATM 4867 O O . HOH UA 8 . ? 14.071 46.385 11.918 1.00 41.68 ? 202 HOH F O 1 HETATM 4868 O O . HOH UA 8 . ? 11.222 45.721 8.242 1.00 35.36 ? 203 HOH F O 1 HETATM 4869 O O . HOH UA 8 . ? 16.440 43.443 18.320 1.00 43.75 ? 204 HOH F O 1 HETATM 4870 O O . HOH UA 8 . ? 17.349 40.800 17.815 1.00 37.92 ? 205 HOH F O 1 HETATM 4871 O O . HOH UA 8 . ? 18.392 28.216 9.601 1.00 36.66 ? 206 HOH F O 1 HETATM 4872 O O . HOH UA 8 . ? 6.435 40.395 24.843 1.00 51.12 ? 207 HOH F O 1 HETATM 4873 O O . HOH UA 8 . ? 19.057 25.712 9.508 1.00 34.40 ? 208 HOH F O 1 HETATM 4874 O O . HOH UA 8 . ? 18.542 30.696 20.602 1.00 41.43 ? 209 HOH F O 1 HETATM 4875 O O . HOH UA 8 . ? 16.192 30.109 21.809 1.00 48.18 ? 210 HOH F O 1 HETATM 4876 O O . HOH UA 8 . ? 11.365 35.063 26.393 1.00 62.07 ? 211 HOH F O 1 HETATM 4877 O O . HOH UA 8 . ? 13.565 23.908 21.683 1.00 48.99 ? 212 HOH F O 1 HETATM 4878 O O . HOH UA 8 . ? 10.392 22.658 22.622 1.00 59.29 ? 213 HOH F O 1 HETATM 4879 O O . HOH UA 8 . ? 23.254 19.923 10.573 1.00 46.72 ? 214 HOH F O 1 HETATM 4880 O O . HOH UA 8 . ? 8.034 27.513 22.215 1.00 46.36 ? 215 HOH F O 1 HETATM 4881 O O . HOH UA 8 . ? 17.095 20.269 25.399 1.00 52.22 ? 216 HOH F O 1 HETATM 4882 O O . HOH UA 8 . ? 15.598 2.149 2.295 1.00 49.45 ? 217 HOH F O 1 HETATM 4883 O O . HOH UA 8 . ? 24.133 34.708 22.165 1.00 56.49 ? 218 HOH F O 1 HETATM 4884 O O . HOH UA 8 . ? 17.332 37.255 21.263 1.00 44.31 ? 219 HOH F O 1 HETATM 4885 O O . HOH UA 8 . ? 11.145 41.627 28.075 1.00 46.77 ? 220 HOH F O 1 HETATM 4886 O O . HOH UA 8 . ? 10.977 19.622 22.004 1.00 61.02 ? 221 HOH F O 1 HETATM 4887 O O . HOH UA 8 . ? 20.495 45.587 4.891 1.00 43.34 ? 222 HOH F 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 ARG 1 1 1 ARG ARG A . n A 1 2 LEU 2 2 2 LEU LEU A . n A 1 3 ILE 3 3 3 ILE ILE A . n A 1 4 HIS 4 4 4 HIS HIS A . n A 1 5 VAL 5 5 5 VAL VAL A . n A 1 6 SER 6 6 6 SER SER A . n A 1 7 ARG 7 7 7 ARG ARG A . n A 1 8 CYS 8 8 8 CYS CYS A . n A 1 9 GLU 9 9 9 GLU GLU A . n A 1 10 MET 10 10 10 MET MET A . n A 1 11 GLY 11 11 11 GLY GLY A . n A 1 12 THR 12 12 12 THR THR A . n A 1 13 SER 13 13 13 SER SER A . n A 1 14 THR 14 14 14 THR THR A . n A 1 15 HIS 15 15 15 HIS HIS A . n A 1 16 ARG 16 16 16 ARG ARG A . n A 1 17 CYS 17 17 17 CYS CYS A . n A 1 18 TRP 18 18 18 TRP TRP A . n A 1 19 PRO 19 19 19 PRO PRO A . n A 1 20 ARG 20 20 20 ARG ARG A . n A 1 21 PRO 21 21 21 PRO PRO A . n A 1 22 CYS 22 22 22 CYS CYS A . n A 1 23 ASP 23 23 23 ASP ASP A . n A 1 24 THR 24 24 24 THR THR A . n A 1 25 SER 25 25 25 SER SER A . n A 1 26 SER 26 26 26 SER SER A . n A 1 27 ASP 27 27 27 ASP ASP A . n A 1 28 GLU 28 28 28 GLU GLU A . n A 1 29 PRO 29 29 29 PRO PRO A . n A 1 30 ILE 30 30 30 ILE ILE A . n A 1 31 SER 31 31 31 SER SER A . n A 1 32 PHE 32 32 32 PHE PHE A . n A 1 33 TRP 33 33 33 TRP TRP A . n A 1 34 PRO 34 34 34 PRO PRO A . n A 1 35 PRO 35 35 35 PRO PRO A . n A 1 36 PHE 36 36 36 PHE PHE A . n A 1 37 GLU 37 37 37 GLU GLU A . n A 1 38 ASN 38 38 38 ASN ASN A . n A 1 39 THR 39 39 39 THR THR A . n A 1 40 PRO 40 40 40 PRO PRO A . n A 1 41 ASN 41 41 41 ASN ASN A . n A 1 42 VAL 42 42 42 VAL VAL A . n A 1 43 ILE 43 43 43 ILE ILE A . n A 1 44 VAL 44 44 44 VAL VAL A . n A 1 45 SER 45 45 45 SER SER A . n A 1 46 PHE 46 46 46 PHE PHE A . n A 1 47 GLY 47 47 47 GLY GLY A . n A 1 48 MET 48 48 48 MET MET A . n A 1 49 LEU 49 49 49 LEU LEU A . n A 1 50 ASP 50 50 50 ASP ASP A . n A 1 51 VAL 51 51 51 VAL VAL A . n A 1 52 ASP 52 52 52 ASP ASP A . n A 1 53 ASN 53 53 53 ASN ASN A . n A 1 54 SER 54 54 54 SER SER A . n A 1 55 ASN 55 55 55 ASN ASN A . n A 1 56 ASN 56 56 56 ASN ASN A . n A 1 57 LEU 57 57 57 LEU LEU A . n A 1 58 ARG 58 58 58 ARG ARG A . n A 1 59 VAL 59 59 59 VAL VAL A . n A 1 60 ASN 60 60 60 ASN ASN A . n A 1 61 SER 61 61 61 SER SER A . n A 1 62 SER 62 62 62 SER SER A . n A 1 63 ALA 63 63 63 ALA ALA A . n A 1 64 ASP 64 64 64 ASP ASP A . n A 1 65 ASP 65 65 65 ASP ASP A . n A 1 66 VAL 66 66 66 VAL VAL A . n A 1 67 THR 67 67 67 THR THR A . n A 1 68 VAL 68 68 68 VAL VAL A . n A 1 69 GLY 69 69 69 GLY GLY A . n A 1 70 GLY 70 70 70 GLY GLY A . n A 1 71 PHE 71 71 71 PHE PHE A . n A 1 72 THR 72 72 72 THR THR A . n A 1 73 LEU 73 73 73 LEU LEU A . n A 1 74 HIS 74 74 74 HIS HIS A . n A 1 75 TYR 75 75 75 TYR TYR A . n A 1 76 ASN 76 76 76 ASN ASN A . n A 1 77 SER 77 77 77 SER SER A . n A 1 78 TRP 78 78 78 TRP TRP A . n A 1 79 TYR 79 79 79 TYR TYR A . n A 1 80 THR 80 80 80 THR THR A . n A 1 81 THR 81 81 81 THR THR A . n A 1 82 THR 82 82 82 THR THR A . n A 1 83 VAL 83 83 83 VAL VAL A . n A 1 84 TRP 84 84 84 TRP TRP A . n A 1 85 ASN 85 85 85 ASN ASN A . n A 1 86 TYR 86 86 86 TYR TYR A . n A 1 87 LYS 87 87 87 LYS LYS A . n A 1 88 LEU 88 88 88 LEU LEU A . n A 1 89 ILE 89 89 89 ILE ILE A . n A 1 90 TRP 90 90 90 TRP TRP A . n A 1 91 ILE 91 91 91 ILE ILE A . n A 1 92 ALA 92 92 92 ALA ALA A . n A 1 93 CYS 93 93 93 CYS CYS A . n A 1 94 ASP 94 94 94 ASP ASP A . n B 1 1 ARG 1 1 1 ARG ARG B . n B 1 2 LEU 2 2 2 LEU LEU B . n B 1 3 ILE 3 3 3 ILE ILE B . n B 1 4 HIS 4 4 4 HIS HIS B . n B 1 5 VAL 5 5 5 VAL VAL B . n B 1 6 SER 6 6 6 SER SER B . n B 1 7 ARG 7 7 7 ARG ARG B . n B 1 8 CYS 8 8 8 CYS CYS B . n B 1 9 GLU 9 9 9 GLU GLU B . n B 1 10 MET 10 10 10 MET MET B . n B 1 11 GLY 11 11 11 GLY GLY B . n B 1 12 THR 12 12 12 THR THR B . n B 1 13 SER 13 13 13 SER SER B . n B 1 14 THR 14 14 14 THR THR B . n B 1 15 HIS 15 15 15 HIS HIS B . n B 1 16 ARG 16 16 16 ARG ARG B . n B 1 17 CYS 17 17 17 CYS CYS B . n B 1 18 TRP 18 18 18 TRP TRP B . n B 1 19 PRO 19 19 19 PRO PRO B . n B 1 20 ARG 20 20 20 ARG ALA B . n B 1 21 PRO 21 21 21 PRO PRO B . n B 1 22 CYS 22 22 22 CYS CYS B . n B 1 23 ASP 23 23 23 ASP ASP B . n B 1 24 THR 24 24 24 THR THR B . n B 1 25 SER 25 25 25 SER SER B . n B 1 26 SER 26 26 26 SER SER B . n B 1 27 ASP 27 27 27 ASP ASP B . n B 1 28 GLU 28 28 28 GLU GLU B . n B 1 29 PRO 29 29 29 PRO PRO B . n B 1 30 ILE 30 30 30 ILE ILE B . n B 1 31 SER 31 31 31 SER SER B . n B 1 32 PHE 32 32 32 PHE PHE B . n B 1 33 TRP 33 33 33 TRP TRP B . n B 1 34 PRO 34 34 34 PRO PRO B . n B 1 35 PRO 35 35 35 PRO PRO B . n B 1 36 PHE 36 36 36 PHE PHE B . n B 1 37 GLU 37 37 37 GLU GLU B . n B 1 38 ASN 38 38 38 ASN ASN B . n B 1 39 THR 39 39 39 THR THR B . n B 1 40 PRO 40 40 40 PRO PRO B . n B 1 41 ASN 41 41 41 ASN ASN B . n B 1 42 VAL 42 42 42 VAL VAL B . n B 1 43 ILE 43 43 43 ILE ILE B . n B 1 44 VAL 44 44 44 VAL VAL B . n B 1 45 SER 45 45 45 SER SER B . n B 1 46 PHE 46 46 46 PHE PHE B . n B 1 47 GLY 47 47 47 GLY GLY B . n B 1 48 MET 48 48 48 MET MET B . n B 1 49 LEU 49 49 49 LEU LEU B . n B 1 50 ASP 50 50 50 ASP ASP B . n B 1 51 VAL 51 51 51 VAL VAL B . n B 1 52 ASP 52 52 52 ASP ASP B . n B 1 53 ASN 53 53 53 ASN ASN B . n B 1 54 SER 54 54 54 SER SER B . n B 1 55 ASN 55 55 55 ASN ASN B . n B 1 56 ASN 56 56 56 ASN ASN B . n B 1 57 LEU 57 57 57 LEU LEU B . n B 1 58 ARG 58 58 58 ARG ARG B . n B 1 59 VAL 59 59 59 VAL VAL B . n B 1 60 ASN 60 60 60 ASN ASN B . n B 1 61 SER 61 61 61 SER SER B . n B 1 62 SER 62 62 62 SER SER B . n B 1 63 ALA 63 63 63 ALA ALA B . n B 1 64 ASP 64 64 64 ASP ASP B . n B 1 65 ASP 65 65 65 ASP ASP B . n B 1 66 VAL 66 66 66 VAL VAL B . n B 1 67 THR 67 67 67 THR THR B . n B 1 68 VAL 68 68 68 VAL VAL B . n B 1 69 GLY 69 69 69 GLY GLY B . n B 1 70 GLY 70 70 70 GLY GLY B . n B 1 71 PHE 71 71 71 PHE PHE B . n B 1 72 THR 72 72 72 THR THR B . n B 1 73 LEU 73 73 73 LEU LEU B . n B 1 74 HIS 74 74 74 HIS HIS B . n B 1 75 TYR 75 75 75 TYR TYR B . n B 1 76 ASN 76 76 76 ASN ASN B . n B 1 77 SER 77 77 77 SER SER B . n B 1 78 TRP 78 78 78 TRP TRP B . n B 1 79 TYR 79 79 79 TYR TYR B . n B 1 80 THR 80 80 80 THR THR B . n B 1 81 THR 81 81 81 THR THR B . n B 1 82 THR 82 82 82 THR THR B . n B 1 83 VAL 83 83 83 VAL VAL B . n B 1 84 TRP 84 84 84 TRP TRP B . n B 1 85 ASN 85 85 85 ASN ASN B . n B 1 86 TYR 86 86 86 TYR TYR B . n B 1 87 LYS 87 87 87 LYS LYS B . n B 1 88 LEU 88 88 88 LEU LEU B . n B 1 89 ILE 89 89 89 ILE ILE B . n B 1 90 TRP 90 90 90 TRP TRP B . n B 1 91 ILE 91 91 91 ILE ILE B . n B 1 92 ALA 92 92 92 ALA ALA B . n B 1 93 CYS 93 93 93 CYS CYS B . n B 1 94 ASP 94 94 94 ASP ASP B . n C 1 1 ARG 1 1 1 ARG ARG C . n C 1 2 LEU 2 2 2 LEU LEU C . n C 1 3 ILE 3 3 3 ILE ILE C . n C 1 4 HIS 4 4 4 HIS HIS C . n C 1 5 VAL 5 5 5 VAL VAL C . n C 1 6 SER 6 6 6 SER SER C . n C 1 7 ARG 7 7 7 ARG ARG C . n C 1 8 CYS 8 8 8 CYS CYS C . n C 1 9 GLU 9 9 9 GLU GLU C . n C 1 10 MET 10 10 10 MET MET C . n C 1 11 GLY 11 11 11 GLY GLY C . n C 1 12 THR 12 12 12 THR THR C . n C 1 13 SER 13 13 13 SER SER C . n C 1 14 THR 14 14 14 THR THR C . n C 1 15 HIS 15 15 15 HIS HIS C . n C 1 16 ARG 16 16 16 ARG ARG C . n C 1 17 CYS 17 17 17 CYS CYS C . n C 1 18 TRP 18 18 18 TRP TRP C . n C 1 19 PRO 19 19 19 PRO PRO C . n C 1 20 ARG 20 20 20 ARG ARG C . n C 1 21 PRO 21 21 21 PRO PRO C . n C 1 22 CYS 22 22 22 CYS CYS C . n C 1 23 ASP 23 23 23 ASP ASP C . n C 1 24 THR 24 24 24 THR THR C . n C 1 25 SER 25 25 25 SER SER C . n C 1 26 SER 26 26 26 SER SER C . n C 1 27 ASP 27 27 27 ASP ASP C . n C 1 28 GLU 28 28 28 GLU GLU C . n C 1 29 PRO 29 29 29 PRO PRO C . n C 1 30 ILE 30 30 30 ILE ILE C . n C 1 31 SER 31 31 31 SER SER C . n C 1 32 PHE 32 32 32 PHE PHE C . n C 1 33 TRP 33 33 33 TRP TRP C . n C 1 34 PRO 34 34 34 PRO PRO C . n C 1 35 PRO 35 35 35 PRO PRO C . n C 1 36 PHE 36 36 36 PHE PHE C . n C 1 37 GLU 37 37 37 GLU GLU C . n C 1 38 ASN 38 38 38 ASN ASN C . n C 1 39 THR 39 39 39 THR THR C . n C 1 40 PRO 40 40 40 PRO PRO C . n C 1 41 ASN 41 41 41 ASN ASN C . n C 1 42 VAL 42 42 42 VAL VAL C . n C 1 43 ILE 43 43 43 ILE ILE C . n C 1 44 VAL 44 44 44 VAL VAL C . n C 1 45 SER 45 45 45 SER SER C . n C 1 46 PHE 46 46 46 PHE PHE C . n C 1 47 GLY 47 47 47 GLY GLY C . n C 1 48 MET 48 48 48 MET MET C . n C 1 49 LEU 49 49 49 LEU LEU C . n C 1 50 ASP 50 50 50 ASP ASP C . n C 1 51 VAL 51 51 51 VAL VAL C . n C 1 52 ASP 52 52 52 ASP ASP C . n C 1 53 ASN 53 53 53 ASN ASN C . n C 1 54 SER 54 54 54 SER SER C . n C 1 55 ASN 55 55 55 ASN ASN C . n C 1 56 ASN 56 56 56 ASN ASN C . n C 1 57 LEU 57 57 57 LEU LEU C . n C 1 58 ARG 58 58 58 ARG ARG C . n C 1 59 VAL 59 59 59 VAL VAL C . n C 1 60 ASN 60 60 60 ASN ASN C . n C 1 61 SER 61 61 61 SER SER C . n C 1 62 SER 62 62 62 SER SER C . n C 1 63 ALA 63 63 63 ALA ALA C . n C 1 64 ASP 64 64 64 ASP ASP C . n C 1 65 ASP 65 65 65 ASP ASP C . n C 1 66 VAL 66 66 66 VAL VAL C . n C 1 67 THR 67 67 67 THR THR C . n C 1 68 VAL 68 68 68 VAL VAL C . n C 1 69 GLY 69 69 69 GLY GLY C . n C 1 70 GLY 70 70 70 GLY GLY C . n C 1 71 PHE 71 71 71 PHE PHE C . n C 1 72 THR 72 72 72 THR THR C . n C 1 73 LEU 73 73 73 LEU LEU C . n C 1 74 HIS 74 74 74 HIS HIS C . n C 1 75 TYR 75 75 75 TYR TYR C . n C 1 76 ASN 76 76 76 ASN ASN C . n C 1 77 SER 77 77 77 SER SER C . n C 1 78 TRP 78 78 78 TRP TRP C . n C 1 79 TYR 79 79 79 TYR TYR C . n C 1 80 THR 80 80 80 THR THR C . n C 1 81 THR 81 81 81 THR THR C . n C 1 82 THR 82 82 82 THR THR C . n C 1 83 VAL 83 83 83 VAL VAL C . n C 1 84 TRP 84 84 84 TRP TRP C . n C 1 85 ASN 85 85 85 ASN ASN C . n C 1 86 TYR 86 86 86 TYR TYR C . n C 1 87 LYS 87 87 87 LYS LYS C . n C 1 88 LEU 88 88 88 LEU LEU C . n C 1 89 ILE 89 89 89 ILE ILE C . n C 1 90 TRP 90 90 90 TRP TRP C . n C 1 91 ILE 91 91 91 ILE ILE C . n C 1 92 ALA 92 92 92 ALA ALA C . n C 1 93 CYS 93 93 93 CYS CYS C . n C 1 94 ASP 94 94 94 ASP ASP C . n D 1 1 ARG 1 1 1 ARG ARG D . n D 1 2 LEU 2 2 2 LEU LEU D . n D 1 3 ILE 3 3 3 ILE ILE D . n D 1 4 HIS 4 4 4 HIS HIS D . n D 1 5 VAL 5 5 5 VAL VAL D . n D 1 6 SER 6 6 6 SER SER D . n D 1 7 ARG 7 7 7 ARG ARG D . n D 1 8 CYS 8 8 8 CYS CYS D . n D 1 9 GLU 9 9 9 GLU GLU D . n D 1 10 MET 10 10 10 MET MET D . n D 1 11 GLY 11 11 11 GLY GLY D . n D 1 12 THR 12 12 12 THR THR D . n D 1 13 SER 13 13 13 SER SER D . n D 1 14 THR 14 14 14 THR THR D . n D 1 15 HIS 15 15 15 HIS HIS D . n D 1 16 ARG 16 16 16 ARG ARG D . n D 1 17 CYS 17 17 17 CYS CYS D . n D 1 18 TRP 18 18 18 TRP TRP D . n D 1 19 PRO 19 19 19 PRO PRO D . n D 1 20 ARG 20 20 20 ARG ALA D . n D 1 21 PRO 21 21 21 PRO PRO D . n D 1 22 CYS 22 22 22 CYS CYS D . n D 1 23 ASP 23 23 23 ASP ASP D . n D 1 24 THR 24 24 24 THR THR D . n D 1 25 SER 25 25 25 SER SER D . n D 1 26 SER 26 26 26 SER SER D . n D 1 27 ASP 27 27 27 ASP ASP D . n D 1 28 GLU 28 28 28 GLU GLU D . n D 1 29 PRO 29 29 29 PRO PRO D . n D 1 30 ILE 30 30 30 ILE ILE D . n D 1 31 SER 31 31 31 SER SER D . n D 1 32 PHE 32 32 32 PHE PHE D . n D 1 33 TRP 33 33 33 TRP TRP D . n D 1 34 PRO 34 34 34 PRO PRO D . n D 1 35 PRO 35 35 35 PRO PRO D . n D 1 36 PHE 36 36 36 PHE PHE D . n D 1 37 GLU 37 37 37 GLU GLU D . n D 1 38 ASN 38 38 38 ASN ASN D . n D 1 39 THR 39 39 39 THR THR D . n D 1 40 PRO 40 40 40 PRO PRO D . n D 1 41 ASN 41 41 41 ASN ASN D . n D 1 42 VAL 42 42 42 VAL VAL D . n D 1 43 ILE 43 43 43 ILE ILE D . n D 1 44 VAL 44 44 44 VAL VAL D . n D 1 45 SER 45 45 45 SER SER D . n D 1 46 PHE 46 46 46 PHE PHE D . n D 1 47 GLY 47 47 47 GLY GLY D . n D 1 48 MET 48 48 48 MET MET D . n D 1 49 LEU 49 49 49 LEU LEU D . n D 1 50 ASP 50 50 50 ASP ASP D . n D 1 51 VAL 51 51 51 VAL VAL D . n D 1 52 ASP 52 52 52 ASP ASP D . n D 1 53 ASN 53 53 53 ASN ASN D . n D 1 54 SER 54 54 54 SER SER D . n D 1 55 ASN 55 55 55 ASN ASN D . n D 1 56 ASN 56 56 56 ASN ASN D . n D 1 57 LEU 57 57 57 LEU LEU D . n D 1 58 ARG 58 58 58 ARG ARG D . n D 1 59 VAL 59 59 59 VAL VAL D . n D 1 60 ASN 60 60 60 ASN ASN D . n D 1 61 SER 61 61 61 SER SER D . n D 1 62 SER 62 62 62 SER SER D . n D 1 63 ALA 63 63 63 ALA ALA D . n D 1 64 ASP 64 64 64 ASP ASP D . n D 1 65 ASP 65 65 65 ASP ASP D . n D 1 66 VAL 66 66 66 VAL VAL D . n D 1 67 THR 67 67 67 THR THR D . n D 1 68 VAL 68 68 68 VAL VAL D . n D 1 69 GLY 69 69 69 GLY GLY D . n D 1 70 GLY 70 70 70 GLY GLY D . n D 1 71 PHE 71 71 71 PHE PHE D . n D 1 72 THR 72 72 72 THR THR D . n D 1 73 LEU 73 73 73 LEU LEU D . n D 1 74 HIS 74 74 74 HIS HIS D . n D 1 75 TYR 75 75 75 TYR TYR D . n D 1 76 ASN 76 76 76 ASN ASN D . n D 1 77 SER 77 77 77 SER SER D . n D 1 78 TRP 78 78 78 TRP TRP D . n D 1 79 TYR 79 79 79 TYR TYR D . n D 1 80 THR 80 80 80 THR THR D . n D 1 81 THR 81 81 81 THR THR D . n D 1 82 THR 82 82 82 THR THR D . n D 1 83 VAL 83 83 83 VAL VAL D . n D 1 84 TRP 84 84 84 TRP TRP D . n D 1 85 ASN 85 85 85 ASN ASN D . n D 1 86 TYR 86 86 86 TYR TYR D . n D 1 87 LYS 87 87 87 LYS LYS D . n D 1 88 LEU 88 88 88 LEU LEU D . n D 1 89 ILE 89 89 89 ILE ILE D . n D 1 90 TRP 90 90 90 TRP TRP D . n D 1 91 ILE 91 91 91 ILE ILE D . n D 1 92 ALA 92 92 92 ALA ALA D . n D 1 93 CYS 93 93 93 CYS CYS D . n D 1 94 ASP 94 94 94 ASP ASP D . n E 1 1 ARG 1 1 1 ARG ARG E . n E 1 2 LEU 2 2 2 LEU LEU E . n E 1 3 ILE 3 3 3 ILE ILE E . n E 1 4 HIS 4 4 4 HIS HIS E . n E 1 5 VAL 5 5 5 VAL VAL E . n E 1 6 SER 6 6 6 SER SER E . n E 1 7 ARG 7 7 7 ARG ARG E . n E 1 8 CYS 8 8 8 CYS CYS E . n E 1 9 GLU 9 9 9 GLU GLU E . n E 1 10 MET 10 10 10 MET MET E . n E 1 11 GLY 11 11 11 GLY GLY E . n E 1 12 THR 12 12 12 THR THR E . n E 1 13 SER 13 13 13 SER SER E . n E 1 14 THR 14 14 14 THR THR E . n E 1 15 HIS 15 15 15 HIS HIS E . n E 1 16 ARG 16 16 16 ARG ARG E . n E 1 17 CYS 17 17 17 CYS CYS E . n E 1 18 TRP 18 18 18 TRP TRP E . n E 1 19 PRO 19 19 19 PRO PRO E . n E 1 20 ARG 20 20 20 ARG ALA E . n E 1 21 PRO 21 21 21 PRO PRO E . n E 1 22 CYS 22 22 22 CYS CYS E . n E 1 23 ASP 23 23 23 ASP ASP E . n E 1 24 THR 24 24 24 THR THR E . n E 1 25 SER 25 25 25 SER SER E . n E 1 26 SER 26 26 26 SER SER E . n E 1 27 ASP 27 27 27 ASP ASP E . n E 1 28 GLU 28 28 28 GLU GLU E . n E 1 29 PRO 29 29 29 PRO PRO E . n E 1 30 ILE 30 30 30 ILE ILE E . n E 1 31 SER 31 31 31 SER SER E . n E 1 32 PHE 32 32 32 PHE PHE E . n E 1 33 TRP 33 33 33 TRP TRP E . n E 1 34 PRO 34 34 34 PRO PRO E . n E 1 35 PRO 35 35 35 PRO PRO E . n E 1 36 PHE 36 36 36 PHE PHE E . n E 1 37 GLU 37 37 37 GLU GLU E . n E 1 38 ASN 38 38 38 ASN ASN E . n E 1 39 THR 39 39 39 THR THR E . n E 1 40 PRO 40 40 40 PRO PRO E . n E 1 41 ASN 41 41 41 ASN ASN E . n E 1 42 VAL 42 42 42 VAL VAL E . n E 1 43 ILE 43 43 43 ILE ILE E . n E 1 44 VAL 44 44 44 VAL VAL E . n E 1 45 SER 45 45 45 SER SER E . n E 1 46 PHE 46 46 46 PHE PHE E . n E 1 47 GLY 47 47 47 GLY GLY E . n E 1 48 MET 48 48 48 MET MET E . n E 1 49 LEU 49 49 49 LEU LEU E . n E 1 50 ASP 50 50 50 ASP ASP E . n E 1 51 VAL 51 51 51 VAL VAL E . n E 1 52 ASP 52 52 52 ASP ASP E . n E 1 53 ASN 53 53 53 ASN ASN E . n E 1 54 SER 54 54 54 SER SER E . n E 1 55 ASN 55 55 55 ASN ASN E . n E 1 56 ASN 56 56 56 ASN ASN E . n E 1 57 LEU 57 57 57 LEU LEU E . n E 1 58 ARG 58 58 58 ARG ARG E . n E 1 59 VAL 59 59 59 VAL VAL E . n E 1 60 ASN 60 60 60 ASN ASN E . n E 1 61 SER 61 61 61 SER SER E . n E 1 62 SER 62 62 62 SER SER E . n E 1 63 ALA 63 63 63 ALA ALA E . n E 1 64 ASP 64 64 64 ASP ASP E . n E 1 65 ASP 65 65 65 ASP ASP E . n E 1 66 VAL 66 66 66 VAL VAL E . n E 1 67 THR 67 67 67 THR THR E . n E 1 68 VAL 68 68 68 VAL VAL E . n E 1 69 GLY 69 69 69 GLY GLY E . n E 1 70 GLY 70 70 70 GLY GLY E . n E 1 71 PHE 71 71 71 PHE PHE E . n E 1 72 THR 72 72 72 THR THR E . n E 1 73 LEU 73 73 73 LEU LEU E . n E 1 74 HIS 74 74 74 HIS HIS E . n E 1 75 TYR 75 75 75 TYR TYR E . n E 1 76 ASN 76 76 76 ASN ASN E . n E 1 77 SER 77 77 77 SER SER E . n E 1 78 TRP 78 78 78 TRP TRP E . n E 1 79 TYR 79 79 79 TYR TYR E . n E 1 80 THR 80 80 80 THR THR E . n E 1 81 THR 81 81 81 THR THR E . n E 1 82 THR 82 82 82 THR THR E . n E 1 83 VAL 83 83 83 VAL VAL E . n E 1 84 TRP 84 84 84 TRP TRP E . n E 1 85 ASN 85 85 85 ASN ASN E . n E 1 86 TYR 86 86 86 TYR TYR E . n E 1 87 LYS 87 87 87 LYS LYS E . n E 1 88 LEU 88 88 88 LEU LEU E . n E 1 89 ILE 89 89 89 ILE ILE E . n E 1 90 TRP 90 90 90 TRP TRP E . n E 1 91 ILE 91 91 91 ILE ILE E . n E 1 92 ALA 92 92 92 ALA ALA E . n E 1 93 CYS 93 93 93 CYS CYS E . n E 1 94 ASP 94 94 94 ASP ASP E . n F 1 1 ARG 1 1 1 ARG ARG F . n F 1 2 LEU 2 2 2 LEU LEU F . n F 1 3 ILE 3 3 3 ILE ILE F . n F 1 4 HIS 4 4 4 HIS HIS F . n F 1 5 VAL 5 5 5 VAL VAL F . n F 1 6 SER 6 6 6 SER SER F . n F 1 7 ARG 7 7 7 ARG ARG F . n F 1 8 CYS 8 8 8 CYS CYS F . n F 1 9 GLU 9 9 9 GLU GLU F . n F 1 10 MET 10 10 10 MET MET F . n F 1 11 GLY 11 11 11 GLY GLY F . n F 1 12 THR 12 12 12 THR THR F . n F 1 13 SER 13 13 13 SER SER F . n F 1 14 THR 14 14 14 THR THR F . n F 1 15 HIS 15 15 15 HIS HIS F . n F 1 16 ARG 16 16 16 ARG ARG F . n F 1 17 CYS 17 17 17 CYS CYS F . n F 1 18 TRP 18 18 18 TRP TRP F . n F 1 19 PRO 19 19 19 PRO PRO F . n F 1 20 ARG 20 20 20 ARG ARG F . n F 1 21 PRO 21 21 21 PRO PRO F . n F 1 22 CYS 22 22 22 CYS CYS F . n F 1 23 ASP 23 23 23 ASP ASP F . n F 1 24 THR 24 24 24 THR THR F . n F 1 25 SER 25 25 25 SER SER F . n F 1 26 SER 26 26 26 SER SER F . n F 1 27 ASP 27 27 27 ASP ASP F . n F 1 28 GLU 28 28 28 GLU GLU F . n F 1 29 PRO 29 29 29 PRO PRO F . n F 1 30 ILE 30 30 30 ILE ILE F . n F 1 31 SER 31 31 31 SER SER F . n F 1 32 PHE 32 32 32 PHE PHE F . n F 1 33 TRP 33 33 33 TRP TRP F . n F 1 34 PRO 34 34 34 PRO PRO F . n F 1 35 PRO 35 35 35 PRO PRO F . n F 1 36 PHE 36 36 36 PHE PHE F . n F 1 37 GLU 37 37 37 GLU GLU F . n F 1 38 ASN 38 38 38 ASN ASN F . n F 1 39 THR 39 39 39 THR THR F . n F 1 40 PRO 40 40 40 PRO PRO F . n F 1 41 ASN 41 41 41 ASN ASN F . n F 1 42 VAL 42 42 42 VAL VAL F . n F 1 43 ILE 43 43 43 ILE ILE F . n F 1 44 VAL 44 44 44 VAL VAL F . n F 1 45 SER 45 45 45 SER SER F . n F 1 46 PHE 46 46 46 PHE PHE F . n F 1 47 GLY 47 47 47 GLY GLY F . n F 1 48 MET 48 48 48 MET MET F . n F 1 49 LEU 49 49 49 LEU LEU F . n F 1 50 ASP 50 50 50 ASP ASP F . n F 1 51 VAL 51 51 51 VAL VAL F . n F 1 52 ASP 52 52 52 ASP ASP F . n F 1 53 ASN 53 53 53 ASN ASN F . n F 1 54 SER 54 54 54 SER SER F . n F 1 55 ASN 55 55 55 ASN ASN F . n F 1 56 ASN 56 56 56 ASN ASN F . n F 1 57 LEU 57 57 57 LEU LEU F . n F 1 58 ARG 58 58 58 ARG ARG F . n F 1 59 VAL 59 59 59 VAL VAL F . n F 1 60 ASN 60 60 60 ASN ASN F . n F 1 61 SER 61 61 61 SER SER F . n F 1 62 SER 62 62 62 SER SER F . n F 1 63 ALA 63 63 63 ALA ALA F . n F 1 64 ASP 64 64 64 ASP ASP F . n F 1 65 ASP 65 65 65 ASP ASP F . n F 1 66 VAL 66 66 66 VAL VAL F . n F 1 67 THR 67 67 67 THR THR F . n F 1 68 VAL 68 68 68 VAL VAL F . n F 1 69 GLY 69 69 69 GLY GLY F . n F 1 70 GLY 70 70 70 GLY GLY F . n F 1 71 PHE 71 71 71 PHE PHE F . n F 1 72 THR 72 72 72 THR THR F . n F 1 73 LEU 73 73 73 LEU LEU F . n F 1 74 HIS 74 74 74 HIS HIS F . n F 1 75 TYR 75 75 75 TYR TYR F . n F 1 76 ASN 76 76 76 ASN ASN F . n F 1 77 SER 77 77 77 SER SER F . n F 1 78 TRP 78 78 78 TRP TRP F . n F 1 79 TYR 79 79 79 TYR ALA F . n F 1 80 THR 80 80 80 THR THR F . n F 1 81 THR 81 81 81 THR THR F . n F 1 82 THR 82 82 82 THR THR F . n F 1 83 VAL 83 83 83 VAL VAL F . n F 1 84 TRP 84 84 84 TRP TRP F . n F 1 85 ASN 85 85 85 ASN ASN F . n F 1 86 TYR 86 86 86 TYR TYR F . n F 1 87 LYS 87 87 87 LYS LYS F . n F 1 88 LEU 88 88 88 LEU LEU F . n F 1 89 ILE 89 89 89 ILE ILE F . n F 1 90 TRP 90 90 90 TRP TRP F . n F 1 91 ILE 91 91 91 ILE ILE F . n F 1 92 ALA 92 92 92 ALA ALA F . n F 1 93 CYS 93 93 93 CYS CYS F . n F 1 94 ASP 94 94 94 ASP ASP F . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 60 A ASN 60 ? ASN 'GLYCOSYLATION SITE' 2 F ASN 60 F ASN 60 ? ASN 'GLYCOSYLATION SITE' 3 E ASN 60 E ASN 60 ? ASN 'GLYCOSYLATION SITE' 4 B ASN 60 B ASN 60 ? ASN 'GLYCOSYLATION SITE' 5 D ASN 60 D ASN 60 ? ASN 'GLYCOSYLATION SITE' 6 C ASN 60 C ASN 60 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details hexameric _pdbx_struct_assembly.oligomeric_count 6 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA,DA,EA,FA,GA,HA,IA,JA,KA,LA,MA,NA,OA,PA,QA,RA,SA,TA,UA # 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)' 22940 ? 1 MORE -213 ? 1 'SSA (A^2)' 22790 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2015-01-14 2 'Structure model' 1 1 2015-09-23 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 2 'Structure model' 'Structure summary' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data collection' . ? 1 MOLREP phasing . ? 2 CNS refinement . ? 3 HKL-2000 'data reduction' . ? 4 SCALEPACK 'data scaling' . ? 5 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 TYR A 79 ? ? 52.54 -125.73 2 1 TYR B 79 ? ? 55.12 -128.10 3 1 TYR C 79 ? ? 50.30 -127.70 4 1 TYR D 79 ? ? 55.75 -128.81 5 1 TYR E 79 ? ? 53.47 -128.50 6 1 TYR F 79 ? ? 56.41 -132.17 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 B ARG 20 ? CG ? B ARG 20 CG 2 1 Y 1 B ARG 20 ? CD ? B ARG 20 CD 3 1 Y 1 B ARG 20 ? NE ? B ARG 20 NE 4 1 Y 1 B ARG 20 ? CZ ? B ARG 20 CZ 5 1 Y 1 B ARG 20 ? NH1 ? B ARG 20 NH1 6 1 Y 1 B ARG 20 ? NH2 ? B ARG 20 NH2 7 1 Y 1 D ARG 20 ? CG ? D ARG 20 CG 8 1 Y 1 D ARG 20 ? CD ? D ARG 20 CD 9 1 Y 1 D ARG 20 ? NE ? D ARG 20 NE 10 1 Y 1 D ARG 20 ? CZ ? D ARG 20 CZ 11 1 Y 1 D ARG 20 ? NH1 ? D ARG 20 NH1 12 1 Y 1 D ARG 20 ? NH2 ? D ARG 20 NH2 13 1 Y 1 E ARG 20 ? CG ? E ARG 20 CG 14 1 Y 1 E ARG 20 ? CD ? E ARG 20 CD 15 1 Y 1 E ARG 20 ? NE ? E ARG 20 NE 16 1 Y 1 E ARG 20 ? CZ ? E ARG 20 CZ 17 1 Y 1 E ARG 20 ? NH1 ? E ARG 20 NH1 18 1 Y 1 E ARG 20 ? NH2 ? E ARG 20 NH2 19 1 Y 1 F TYR 79 ? CG ? F TYR 79 CG 20 1 Y 1 F TYR 79 ? CD1 ? F TYR 79 CD1 21 1 Y 1 F TYR 79 ? CD2 ? F TYR 79 CD2 22 1 Y 1 F TYR 79 ? CE1 ? F TYR 79 CE1 23 1 Y 1 F TYR 79 ? CE2 ? F TYR 79 CE2 24 1 Y 1 F TYR 79 ? CZ ? F TYR 79 CZ 25 1 Y 1 F TYR 79 ? OH ? F TYR 79 OH # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 '(4S)-2-METHYL-2,4-PENTANEDIOL' MPD 4 'CHLORIDE ION' CL 5 'SODIUM ION' NA 6 N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE A2G 7 'ALPHA D-GALACTOSE' GLA 8 water HOH # 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 G 2 NAG 1 101 101 NAG NAG A . H 2 NAG 2 102 102 NAG NAG A . I 3 MPD 1 103 103 MPD MPD A . J 4 CL 1 104 104 CL CL A . K 4 CL 1 105 105 CL CL A . L 5 NA 1 106 106 NA NA A . M 2 NAG 1 101 101 NAG NAG B . N 2 NAG 2 102 102 NAG NAG B . O 4 CL 1 103 104 CL CL B . P 4 CL 1 104 105 CL CL B . Q 5 NA 1 105 106 NA NA B . R 6 A2G 1 101 103 A2G A2G C . S 2 NAG 1 102 101 NAG NAG C . T 2 NAG 2 103 102 NAG NAG C . U 3 MPD 1 104 103 MPD MPD C . V 4 CL 1 105 104 CL CL C . W 4 CL 1 106 105 CL CL C . X 5 NA 1 107 106 NA NA C . Y 2 NAG 1 101 101 NAG NAG D . Z 2 NAG 2 102 102 NAG NAG D . AA 3 MPD 1 103 103 MPD MPD D . BA 4 CL 1 104 103 CL CL D . CA 4 CL 1 105 104 CL CL D . DA 5 NA 1 106 105 NA NA D . EA 2 NAG 1 101 101 NAG NAG E . FA 2 NAG 2 102 102 NAG NAG E . GA 4 CL 1 103 104 CL CL E . HA 4 CL 1 104 105 CL CL E . IA 5 NA 1 105 106 NA NA E . JA 2 NAG 1 101 101 NAG NAG F . KA 2 NAG 2 102 102 NAG NAG F . LA 7 GLA 1 103 103 GLA GLA F . MA 4 CL 1 104 104 CL CL F . NA 4 CL 1 105 105 CL CL F . OA 5 NA 1 106 106 NA NA F . PA 8 HOH 1 501 501 HOH HOH A . PA 8 HOH 2 502 502 HOH HOH A . PA 8 HOH 3 503 503 HOH HOH A . PA 8 HOH 4 504 504 HOH HOH A . PA 8 HOH 5 505 505 HOH HOH A . PA 8 HOH 6 506 506 HOH HOH A . PA 8 HOH 7 507 507 HOH HOH A . PA 8 HOH 8 508 508 HOH HOH A . PA 8 HOH 9 509 509 HOH HOH A . PA 8 HOH 10 510 510 HOH HOH A . PA 8 HOH 11 511 511 HOH HOH A . PA 8 HOH 12 512 512 HOH HOH A . PA 8 HOH 13 513 513 HOH HOH A . PA 8 HOH 14 514 514 HOH HOH A . PA 8 HOH 15 515 515 HOH HOH A . PA 8 HOH 16 516 516 HOH HOH A . PA 8 HOH 17 517 517 HOH HOH A . PA 8 HOH 18 518 518 HOH HOH A . PA 8 HOH 19 519 519 HOH HOH A . PA 8 HOH 20 520 520 HOH HOH A . QA 8 HOH 1 201 201 HOH HOH B . QA 8 HOH 2 202 202 HOH HOH B . QA 8 HOH 3 203 203 HOH HOH B . QA 8 HOH 4 204 204 HOH HOH B . QA 8 HOH 5 205 205 HOH HOH B . QA 8 HOH 6 206 206 HOH HOH B . QA 8 HOH 7 207 207 HOH HOH B . QA 8 HOH 8 208 208 HOH HOH B . QA 8 HOH 9 209 209 HOH HOH B . QA 8 HOH 10 210 210 HOH HOH B . QA 8 HOH 11 211 211 HOH HOH B . QA 8 HOH 12 212 212 HOH HOH B . QA 8 HOH 13 213 213 HOH HOH B . QA 8 HOH 14 214 214 HOH HOH B . QA 8 HOH 15 215 215 HOH HOH B . QA 8 HOH 16 216 216 HOH HOH B . RA 8 HOH 1 201 201 HOH HOH C . RA 8 HOH 2 202 202 HOH HOH C . RA 8 HOH 3 203 203 HOH HOH C . RA 8 HOH 4 204 204 HOH HOH C . RA 8 HOH 5 205 205 HOH HOH C . RA 8 HOH 6 206 206 HOH HOH C . RA 8 HOH 7 207 207 HOH HOH C . RA 8 HOH 8 208 208 HOH HOH C . RA 8 HOH 9 209 209 HOH HOH C . RA 8 HOH 10 210 210 HOH HOH C . RA 8 HOH 11 211 211 HOH HOH C . RA 8 HOH 12 212 212 HOH HOH C . RA 8 HOH 13 213 213 HOH HOH C . RA 8 HOH 14 214 214 HOH HOH C . RA 8 HOH 15 215 215 HOH HOH C . RA 8 HOH 16 216 216 HOH HOH C . RA 8 HOH 17 217 217 HOH HOH C . RA 8 HOH 18 218 218 HOH HOH C . RA 8 HOH 19 219 219 HOH HOH C . RA 8 HOH 20 220 220 HOH HOH C . RA 8 HOH 21 221 221 HOH HOH C . RA 8 HOH 22 222 222 HOH HOH C . RA 8 HOH 23 223 223 HOH HOH C . SA 8 HOH 1 201 201 HOH HOH D . SA 8 HOH 2 202 202 HOH HOH D . SA 8 HOH 3 203 203 HOH HOH D . SA 8 HOH 4 204 204 HOH HOH D . SA 8 HOH 5 205 205 HOH HOH D . SA 8 HOH 6 206 206 HOH HOH D . SA 8 HOH 7 207 207 HOH HOH D . SA 8 HOH 8 208 208 HOH HOH D . SA 8 HOH 9 209 209 HOH HOH D . SA 8 HOH 10 210 210 HOH HOH D . SA 8 HOH 11 211 211 HOH HOH D . SA 8 HOH 12 212 212 HOH HOH D . SA 8 HOH 13 213 213 HOH HOH D . SA 8 HOH 14 214 214 HOH HOH D . SA 8 HOH 15 215 215 HOH HOH D . SA 8 HOH 16 216 216 HOH HOH D . SA 8 HOH 17 217 217 HOH HOH D . SA 8 HOH 18 218 218 HOH HOH D . SA 8 HOH 19 219 219 HOH HOH D . SA 8 HOH 20 220 220 HOH HOH D . TA 8 HOH 1 201 201 HOH HOH E . TA 8 HOH 2 202 202 HOH HOH E . TA 8 HOH 3 203 203 HOH HOH E . TA 8 HOH 4 204 204 HOH HOH E . TA 8 HOH 5 205 205 HOH HOH E . TA 8 HOH 6 206 206 HOH HOH E . TA 8 HOH 7 207 207 HOH HOH E . TA 8 HOH 8 208 208 HOH HOH E . TA 8 HOH 9 209 209 HOH HOH E . TA 8 HOH 10 210 210 HOH HOH E . TA 8 HOH 11 211 211 HOH HOH E . TA 8 HOH 12 212 212 HOH HOH E . TA 8 HOH 13 213 213 HOH HOH E . TA 8 HOH 14 214 214 HOH HOH E . TA 8 HOH 15 215 215 HOH HOH E . TA 8 HOH 16 216 216 HOH HOH E . TA 8 HOH 17 217 217 HOH HOH E . TA 8 HOH 18 218 218 HOH HOH E . TA 8 HOH 19 219 219 HOH HOH E . TA 8 HOH 20 220 220 HOH HOH E . UA 8 HOH 1 201 201 HOH HOH F . UA 8 HOH 2 202 202 HOH HOH F . UA 8 HOH 3 203 203 HOH HOH F . UA 8 HOH 4 204 204 HOH HOH F . UA 8 HOH 5 205 205 HOH HOH F . UA 8 HOH 6 206 206 HOH HOH F . UA 8 HOH 7 207 207 HOH HOH F . UA 8 HOH 8 208 208 HOH HOH F . UA 8 HOH 9 209 209 HOH HOH F . UA 8 HOH 10 210 210 HOH HOH F . UA 8 HOH 11 211 211 HOH HOH F . UA 8 HOH 12 212 212 HOH HOH F . UA 8 HOH 13 213 213 HOH HOH F . UA 8 HOH 14 214 214 HOH HOH F . UA 8 HOH 15 215 215 HOH HOH F . UA 8 HOH 16 216 216 HOH HOH F . UA 8 HOH 17 217 217 HOH HOH F . UA 8 HOH 18 218 218 HOH HOH F . UA 8 HOH 19 219 219 HOH HOH F . UA 8 HOH 20 220 220 HOH HOH F . UA 8 HOH 21 221 221 HOH HOH F . UA 8 HOH 22 222 222 HOH HOH F . #