data_2MVI # _entry.id 2MVI # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2MVI RCSB RCSB104096 BMRB 25269 WWPDB D_1000104096 # _pdbx_database_related.db_id 25269 _pdbx_database_related.db_name BMRB _pdbx_database_related.content_type unspecified _pdbx_database_related.details . # _pdbx_database_status.deposit_site BMRB _pdbx_database_status.entry_id 2MVI _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2014-10-06 _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code REL _pdbx_database_status.status_code_mr REL _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_cs REL _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Goroncy, A.K.' 1 'Loo, T.S.' 2 'Koolard, A.' 3 'Patchett, M.L.' 4 'Norris, G.E.' 5 # _citation.id primary _citation.title 'Structural characterization of the S-glycosylated bacteriocin ASM1 from Lactobacillus plantarum' _citation.journal_abbrev 'To be Published' _citation.journal_volume ? _citation.page_first ? _citation.page_last ? _citation.year ? _citation.journal_id_ASTM ? _citation.country ? _citation.journal_id_ISSN ? _citation.journal_id_CSD 0353 _citation.book_publisher ? _citation.pdbx_database_id_PubMed ? _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Goroncy, A.K.' 1 primary 'Loo, T.S.' 2 primary 'Koolard, A.' 3 primary 'Patchett, M.L.' 4 primary 'Norris, G.E.' 5 # _cell.entry_id 2MVI _cell.length_a 1.000 _cell.length_b 1.000 _cell.length_c 1.000 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 1 _cell.pdbx_unique_axis ? # _symmetry.entry_id 2MVI _symmetry.space_group_name_H-M 'P 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 1 # 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 'Bacteriocin plantarican ASM1' 4651.206 1 ? ? 'UNP residues 22-64' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? # _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 KPAWCWYTLAMCGAGYDSGTCDYMYSHCFGVKHSSGGGGSYHC _entity_poly.pdbx_seq_one_letter_code_can KPAWCWYTLAMCGAGYDSGTCDYMYSHCFGVKHSSGGGGSYHC _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 LYS n 1 2 PRO n 1 3 ALA n 1 4 TRP n 1 5 CYS n 1 6 TRP n 1 7 TYR n 1 8 THR n 1 9 LEU n 1 10 ALA n 1 11 MET n 1 12 CYS n 1 13 GLY n 1 14 ALA n 1 15 GLY n 1 16 TYR n 1 17 ASP n 1 18 SER n 1 19 GLY n 1 20 THR n 1 21 CYS n 1 22 ASP n 1 23 TYR n 1 24 MET n 1 25 TYR n 1 26 SER n 1 27 HIS n 1 28 CYS n 1 29 PHE n 1 30 GLY n 1 31 VAL n 1 32 LYS n 1 33 HIS n 1 34 SER n 1 35 SER n 1 36 GLY n 1 37 GLY n 1 38 GLY n 1 39 GLY n 1 40 SER n 1 41 TYR n 1 42 HIS n 1 43 CYS 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 'Lactobacillus plantarum' _entity_src_nat.pdbx_ncbi_taxonomy_id 1590 _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 PASM1_LACPN _struct_ref.pdbx_db_accession C7G1H4 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code KPAWCWYTLAMCGAGYDSGTCDYMYSHCFGVKHSSGGGGSYHC _struct_ref.pdbx_align_begin 22 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2MVI _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 43 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession C7G1H4 _struct_ref_seq.db_align_beg 22 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 64 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 43 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # loop_ _pdbx_nmr_exptl.conditions_id _pdbx_nmr_exptl.experiment_id _pdbx_nmr_exptl.solution_id _pdbx_nmr_exptl.type 1 1 1 '2D 1H-15N HSQC' 1 2 1 '2D 1H-13C HSQC' 1 3 1 '2D 1H-13C HMBC' 1 4 1 '2D 1H-1H TOCSY' 1 5 1 '2D 1H-15N-HSQC-TOCSY' 1 6 1 '2D 1H-13C-HSQC-TOCSY' 1 7 1 '2D 1H-13C-H2BC' 1 8 1 '2D 1H-1H NOESY' # _pdbx_nmr_exptl_sample_conditions.conditions_id 1 _pdbx_nmr_exptl_sample_conditions.ionic_strength ? _pdbx_nmr_exptl_sample_conditions.pH ? _pdbx_nmr_exptl_sample_conditions.pressure ambient _pdbx_nmr_exptl_sample_conditions.pressure_units ? _pdbx_nmr_exptl_sample_conditions.temperature 310 _pdbx_nmr_exptl_sample_conditions.temperature_units K # _pdbx_nmr_sample_details.contents '1 mM protein, 38% d3-acetonitrile, 56.8% water, 0.2% d-acetic acid, 5% D2O' _pdbx_nmr_sample_details.solution_id 1 _pdbx_nmr_sample_details.solvent_system '38% d3-acetonitrile, 56.8% water, 0.2% d-acetic acid, 5% D2O' # _pdbx_nmr_spectrometer.field_strength 700 _pdbx_nmr_spectrometer.manufacturer Bruker _pdbx_nmr_spectrometer.model Avance _pdbx_nmr_spectrometer.spectrometer_id 1 _pdbx_nmr_spectrometer.type 'Bruker Avance' # _pdbx_nmr_refine.entry_id 2MVI _pdbx_nmr_refine.method 'torsion angle dynamics, simulated annealing' _pdbx_nmr_refine.details ? _pdbx_nmr_refine.software_ordinal 1 # _pdbx_nmr_ensemble.average_constraint_violations_per_residue ? _pdbx_nmr_ensemble.average_constraints_per_residue ? _pdbx_nmr_ensemble.average_distance_constraint_violation ? _pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ? _pdbx_nmr_ensemble.conformer_selection_criteria 'target function' _pdbx_nmr_ensemble.conformers_calculated_total_number 100 _pdbx_nmr_ensemble.conformers_submitted_total_number 20 _pdbx_nmr_ensemble.distance_constraint_violation_method ? _pdbx_nmr_ensemble.entry_id 2MVI _pdbx_nmr_ensemble.maximum_distance_constraint_violation ? _pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ? _pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ? _pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation ? _pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ? # _pdbx_nmr_representative.conformer_id 1 _pdbx_nmr_representative.entry_id 2MVI _pdbx_nmr_representative.selection_criteria 'fewest violations' # loop_ _pdbx_nmr_software.authors _pdbx_nmr_software.classification _pdbx_nmr_software.name _pdbx_nmr_software.version _pdbx_nmr_software.ordinal 'Bruker Biospin' collection TOPSPIN 2.1 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' processing NMRPipe 2011.118.08.55 2 'Naohiro Kobayashi' processing kujira 0.9843 3 'Johnson, One Moon Scientific' processing NMRView ? 4 'Guntert, Mumenthaler and Wuthrich' refinement CYANA 3.0 5 'Guntert, Mumenthaler and Wuthrich' 'structure solution' CYANA 3.0 6 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.crystals_number ? _exptl.details ? _exptl.entry_id 2MVI _exptl.method 'SOLUTION NMR' _exptl.method_details ? # _struct.entry_id 2MVI _struct.title 'Structure of the S-glycosylated bacteriocin ASM1' _struct.pdbx_descriptor 'Bacteriocin plantarican ASM1' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2MVI _struct_keywords.pdbx_keywords 'ANTIMICROBIAL PROTEIN' _struct_keywords.text 'antimicrobial protein, glycopeptide, S-glycosylation, O-glycosylation, bacteriocin, glycocin' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? # _struct_biol.id 1 _struct_biol.details ? # _struct_conf.conf_type_id HELX_P _struct_conf.id HELX_P1 _struct_conf.pdbx_PDB_helix_id 1 _struct_conf.beg_label_comp_id ASP _struct_conf.beg_label_asym_id A _struct_conf.beg_label_seq_id 22 _struct_conf.pdbx_beg_PDB_ins_code ? _struct_conf.end_label_comp_id SER _struct_conf.end_label_asym_id A _struct_conf.end_label_seq_id 26 _struct_conf.pdbx_end_PDB_ins_code ? _struct_conf.beg_auth_comp_id ASP _struct_conf.beg_auth_asym_id A _struct_conf.beg_auth_seq_id 22 _struct_conf.end_auth_comp_id SER _struct_conf.end_auth_asym_id A _struct_conf.end_auth_seq_id 26 _struct_conf.pdbx_PDB_helix_class 5 _struct_conf.details ? _struct_conf.pdbx_PDB_helix_length 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 5 SG ? ? ? 1_555 A CYS 28 SG ? ? A CYS 5 A CYS 28 1_555 ? ? ? ? ? ? ? 2.077 ? disulf2 disulf ? ? A CYS 12 SG ? ? ? 1_555 A CYS 21 SG ? ? A CYS 12 A CYS 21 1_555 ? ? ? ? ? ? ? 1.985 ? covale1 covale ? ? A SER 18 OG ? ? ? 1_555 B NAG . C1 ? ? A SER 18 A NAG 101 1_555 ? ? ? ? ? ? ? 1.404 ? covale2 covale ? ? A CYS 43 SG ? ? ? 1_555 C NAG . C1 ? ? A CYS 43 A NAG 102 1_555 ? ? ? ? ? ? ? 1.990 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # 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 ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 102' AC2 Software ? ? ? ? 3 'BINDING SITE FOR MONO-SACCHARIDE NAG A 101 BOUND TO SER A 18' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 1 CYS A 43 ? CYS A 43 . ? 1_555 ? 2 AC2 3 GLY A 15 ? GLY A 15 . ? 1_555 ? 3 AC2 3 ASP A 17 ? ASP A 17 . ? 1_555 ? 4 AC2 3 SER A 18 ? SER A 18 . ? 1_555 ? # _atom_sites.entry_id 2MVI _atom_sites.fract_transf_matrix[1][1] 1.000000 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 1.000000 _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] 1.000000 _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 H N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . LYS A 1 1 ? 2.196 -1.596 -3.552 1.00 0.00 ? 1 LYS A N 1 ATOM 2 C CA . LYS A 1 1 ? 2.637 -1.175 -4.876 1.00 0.00 ? 1 LYS A CA 1 ATOM 3 C C . LYS A 1 1 ? 4.159 -1.126 -4.953 1.00 0.00 ? 1 LYS A C 1 ATOM 4 O O . LYS A 1 1 ? 4.854 -1.057 -3.939 1.00 0.00 ? 1 LYS A O 1 ATOM 5 C CB . LYS A 1 1 ? 2.054 0.199 -5.218 1.00 0.00 ? 1 LYS A CB 1 ATOM 6 C CG . LYS A 1 1 ? 0.764 0.130 -6.016 1.00 0.00 ? 1 LYS A CG 1 ATOM 7 C CD . LYS A 1 1 ? -0.033 1.419 -5.901 1.00 0.00 ? 1 LYS A CD 1 ATOM 8 C CE . LYS A 1 1 ? -1.522 1.172 -6.082 1.00 0.00 ? 1 LYS A CE 1 ATOM 9 N NZ . LYS A 1 1 ? -2.145 0.610 -4.852 1.00 0.00 ? 1 LYS A NZ 1 ATOM 10 H H1 . LYS A 1 1 ? 1.239 -1.730 -3.387 1.00 0.00 ? 1 LYS A H1 1 ATOM 11 H HA . LYS A 1 1 ? 2.275 -1.897 -5.592 1.00 0.00 ? 1 LYS A HA 1 ATOM 12 H HB2 . LYS A 1 1 ? 1.856 0.731 -4.299 1.00 0.00 ? 1 LYS A HB2 1 ATOM 13 H HB3 . LYS A 1 1 ? 2.781 0.752 -5.795 1.00 0.00 ? 1 LYS A HB3 1 ATOM 14 H HG2 . LYS A 1 1 ? 1.003 -0.040 -7.056 1.00 0.00 ? 1 LYS A HG2 1 ATOM 15 H HG3 . LYS A 1 1 ? 0.164 -0.688 -5.644 1.00 0.00 ? 1 LYS A HG3 1 ATOM 16 H HD2 . LYS A 1 1 ? 0.133 1.849 -4.924 1.00 0.00 ? 1 LYS A HD2 1 ATOM 17 H HD3 . LYS A 1 1 ? 0.304 2.110 -6.661 1.00 0.00 ? 1 LYS A HD3 1 ATOM 18 H HE2 . LYS A 1 1 ? -2.002 2.108 -6.322 1.00 0.00 ? 1 LYS A HE2 1 ATOM 19 H HE3 . LYS A 1 1 ? -1.662 0.477 -6.897 1.00 0.00 ? 1 LYS A HE3 1 ATOM 20 H HZ1 . LYS A 1 1 ? -1.902 -0.397 -4.756 1.00 0.00 ? 1 LYS A HZ1 1 ATOM 21 H HZ2 . LYS A 1 1 ? -3.180 0.702 -4.901 1.00 0.00 ? 1 LYS A HZ2 1 ATOM 22 H HZ3 . LYS A 1 1 ? -1.803 1.119 -4.013 1.00 0.00 ? 1 LYS A HZ3 1 ATOM 23 N N . PRO A 1 2 ? 4.692 -1.160 -6.183 1.00 0.00 ? 2 PRO A N 1 ATOM 24 C CA . PRO A 1 2 ? 6.138 -1.119 -6.421 1.00 0.00 ? 2 PRO A CA 1 ATOM 25 C C . PRO A 1 2 ? 6.741 0.243 -6.092 1.00 0.00 ? 2 PRO A C 1 ATOM 26 O O . PRO A 1 2 ? 6.087 1.091 -5.487 1.00 0.00 ? 2 PRO A O 1 ATOM 27 C CB . PRO A 1 2 ? 6.260 -1.409 -7.919 1.00 0.00 ? 2 PRO A CB 1 ATOM 28 C CG . PRO A 1 2 ? 4.957 -0.974 -8.496 1.00 0.00 ? 2 PRO A CG 1 ATOM 29 C CD . PRO A 1 2 ? 3.924 -1.242 -7.437 1.00 0.00 ? 2 PRO A CD 1 ATOM 30 H HA . PRO A 1 2 ? 6.654 -1.885 -5.861 1.00 0.00 ? 2 PRO A HA 1 ATOM 31 H HB2 . PRO A 1 2 ? 7.084 -0.845 -8.332 1.00 0.00 ? 2 PRO A HB2 1 ATOM 32 H HB3 . PRO A 1 2 ? 6.426 -2.465 -8.073 1.00 0.00 ? 2 PRO A HB3 1 ATOM 33 H HG2 . PRO A 1 2 ? 4.992 0.080 -8.728 1.00 0.00 ? 2 PRO A HG2 1 ATOM 34 H HG3 . PRO A 1 2 ? 4.740 -1.548 -9.385 1.00 0.00 ? 2 PRO A HG3 1 ATOM 35 H HD2 . PRO A 1 2 ? 3.151 -0.489 -7.465 1.00 0.00 ? 2 PRO A HD2 1 ATOM 36 H HD3 . PRO A 1 2 ? 3.500 -2.227 -7.565 1.00 0.00 ? 2 PRO A HD3 1 ATOM 37 N N . ALA A 1 3 ? 7.991 0.444 -6.495 1.00 0.00 ? 3 ALA A N 1 ATOM 38 C CA . ALA A 1 3 ? 8.681 1.704 -6.245 1.00 0.00 ? 3 ALA A CA 1 ATOM 39 C C . ALA A 1 3 ? 8.445 2.694 -7.380 1.00 0.00 ? 3 ALA A C 1 ATOM 40 O O . ALA A 1 3 ? 9.104 3.731 -7.459 1.00 0.00 ? 3 ALA A O 1 ATOM 41 C CB . ALA A 1 3 ? 10.171 1.461 -6.055 1.00 0.00 ? 3 ALA A CB 1 ATOM 42 H H . ALA A 1 3 ? 8.460 -0.271 -6.973 1.00 0.00 ? 3 ALA A H 1 ATOM 43 H HA . ALA A 1 3 ? 8.290 2.122 -5.329 1.00 0.00 ? 3 ALA A HA 1 ATOM 44 H HB1 . ALA A 1 3 ? 10.552 2.137 -5.303 1.00 0.00 ? 3 ALA A HB1 1 ATOM 45 H HB2 . ALA A 1 3 ? 10.332 0.441 -5.739 1.00 0.00 ? 3 ALA A HB2 1 ATOM 46 H HB3 . ALA A 1 3 ? 10.685 1.634 -6.989 1.00 0.00 ? 3 ALA A HB3 1 ATOM 47 N N . TRP A 1 4 ? 7.503 2.367 -8.257 1.00 0.00 ? 4 TRP A N 1 ATOM 48 C CA . TRP A 1 4 ? 7.181 3.228 -9.390 1.00 0.00 ? 4 TRP A CA 1 ATOM 49 C C . TRP A 1 4 ? 5.864 3.962 -9.158 1.00 0.00 ? 4 TRP A C 1 ATOM 50 O O . TRP A 1 4 ? 5.761 5.165 -9.400 1.00 0.00 ? 4 TRP A O 1 ATOM 51 C CB . TRP A 1 4 ? 7.101 2.405 -10.676 1.00 0.00 ? 4 TRP A CB 1 ATOM 52 C CG . TRP A 1 4 ? 7.810 1.088 -10.584 1.00 0.00 ? 4 TRP A CG 1 ATOM 53 C CD1 . TRP A 1 4 ? 9.086 0.873 -10.147 1.00 0.00 ? 4 TRP A CD1 1 ATOM 54 C CD2 . TRP A 1 4 ? 7.283 -0.195 -10.938 1.00 0.00 ? 4 TRP A CD2 1 ATOM 55 N NE1 . TRP A 1 4 ? 9.384 -0.467 -10.209 1.00 0.00 ? 4 TRP A NE1 1 ATOM 56 C CE2 . TRP A 1 4 ? 8.294 -1.144 -10.690 1.00 0.00 ? 4 TRP A CE2 1 ATOM 57 C CE3 . TRP A 1 4 ? 6.055 -0.636 -11.439 1.00 0.00 ? 4 TRP A CE3 1 ATOM 58 C CZ2 . TRP A 1 4 ? 8.114 -2.504 -10.927 1.00 0.00 ? 4 TRP A CZ2 1 ATOM 59 C CZ3 . TRP A 1 4 ? 5.877 -1.986 -11.674 1.00 0.00 ? 4 TRP A CZ3 1 ATOM 60 C CH2 . TRP A 1 4 ? 6.901 -2.907 -11.417 1.00 0.00 ? 4 TRP A CH2 1 ATOM 61 H H . TRP A 1 4 ? 7.011 1.527 -8.141 1.00 0.00 ? 4 TRP A H 1 ATOM 62 H HA . TRP A 1 4 ? 7.973 3.956 -9.487 1.00 0.00 ? 4 TRP A HA 1 ATOM 63 H HB2 . TRP A 1 4 ? 6.065 2.211 -10.909 1.00 0.00 ? 4 TRP A HB2 1 ATOM 64 H HB3 . TRP A 1 4 ? 7.547 2.969 -11.483 1.00 0.00 ? 4 TRP A HB3 1 ATOM 65 H HD1 . TRP A 1 4 ? 9.752 1.651 -9.808 1.00 0.00 ? 4 TRP A HD1 1 ATOM 66 H HE1 . TRP A 1 4 ? 10.238 -0.872 -9.948 1.00 0.00 ? 4 TRP A HE1 1 ATOM 67 H HE3 . TRP A 1 4 ? 5.254 0.059 -11.643 1.00 0.00 ? 4 TRP A HE3 1 ATOM 68 H HZ2 . TRP A 1 4 ? 8.893 -3.226 -10.733 1.00 0.00 ? 4 TRP A HZ2 1 ATOM 69 H HZ3 . TRP A 1 4 ? 4.935 -2.345 -12.062 1.00 0.00 ? 4 TRP A HZ3 1 ATOM 70 H HH2 . TRP A 1 4 ? 6.718 -3.952 -11.616 1.00 0.00 ? 4 TRP A HH2 1 ATOM 71 N N . CYS A 1 5 ? 4.859 3.231 -8.689 1.00 0.00 ? 5 CYS A N 1 ATOM 72 C CA . CYS A 1 5 ? 3.548 3.811 -8.425 1.00 0.00 ? 5 CYS A CA 1 ATOM 73 C C . CYS A 1 5 ? 3.451 4.303 -6.984 1.00 0.00 ? 5 CYS A C 1 ATOM 74 O O . CYS A 1 5 ? 4.451 4.362 -6.269 1.00 0.00 ? 5 CYS A O 1 ATOM 75 C CB . CYS A 1 5 ? 2.447 2.785 -8.701 1.00 0.00 ? 5 CYS A CB 1 ATOM 76 S SG . CYS A 1 5 ? 2.671 1.852 -10.249 1.00 0.00 ? 5 CYS A SG 1 ATOM 77 H H . CYS A 1 5 ? 5.002 2.276 -8.516 1.00 0.00 ? 5 CYS A H 1 ATOM 78 H HA . CYS A 1 5 ? 3.418 4.652 -9.089 1.00 0.00 ? 5 CYS A HA 1 ATOM 79 H HB2 . CYS A 1 5 ? 2.420 2.072 -7.890 1.00 0.00 ? 5 CYS A HB2 1 ATOM 80 H HB3 . CYS A 1 5 ? 1.496 3.294 -8.757 1.00 0.00 ? 5 CYS A HB3 1 ATOM 81 N N . TRP A 1 6 ? 2.241 4.656 -6.566 1.00 0.00 ? 6 TRP A N 1 ATOM 82 C CA . TRP A 1 6 ? 2.013 5.142 -5.210 1.00 0.00 ? 6 TRP A CA 1 ATOM 83 C C . TRP A 1 6 ? 0.581 4.865 -4.765 1.00 0.00 ? 6 TRP A C 1 ATOM 84 O O . TRP A 1 6 ? 0.348 4.364 -3.665 1.00 0.00 ? 6 TRP A O 1 ATOM 85 C CB . TRP A 1 6 ? 2.304 6.642 -5.128 1.00 0.00 ? 6 TRP A CB 1 ATOM 86 C CG . TRP A 1 6 ? 3.044 7.036 -3.886 1.00 0.00 ? 6 TRP A CG 1 ATOM 87 C CD1 . TRP A 1 6 ? 4.373 7.333 -3.783 1.00 0.00 ? 6 TRP A CD1 1 ATOM 88 C CD2 . TRP A 1 6 ? 2.496 7.176 -2.571 1.00 0.00 ? 6 TRP A CD2 1 ATOM 89 N NE1 . TRP A 1 6 ? 4.685 7.648 -2.482 1.00 0.00 ? 6 TRP A NE1 1 ATOM 90 C CE2 . TRP A 1 6 ? 3.551 7.560 -1.719 1.00 0.00 ? 6 TRP A CE2 1 ATOM 91 C CE3 . TRP A 1 6 ? 1.218 7.016 -2.029 1.00 0.00 ? 6 TRP A CE3 1 ATOM 92 C CZ2 . TRP A 1 6 ? 3.364 7.784 -0.357 1.00 0.00 ? 6 TRP A CZ2 1 ATOM 93 C CZ3 . TRP A 1 6 ? 1.034 7.238 -0.678 1.00 0.00 ? 6 TRP A CZ3 1 ATOM 94 C CH2 . TRP A 1 6 ? 2.102 7.620 0.145 1.00 0.00 ? 6 TRP A CH2 1 ATOM 95 H H . TRP A 1 6 ? 1.482 4.587 -7.183 1.00 0.00 ? 6 TRP A H 1 ATOM 96 H HA . TRP A 1 6 ? 2.690 4.617 -4.552 1.00 0.00 ? 6 TRP A HA 1 ATOM 97 H HB2 . TRP A 1 6 ? 2.902 6.933 -5.979 1.00 0.00 ? 6 TRP A HB2 1 ATOM 98 H HB3 . TRP A 1 6 ? 1.370 7.184 -5.147 1.00 0.00 ? 6 TRP A HB3 1 ATOM 99 H HD1 . TRP A 1 6 ? 5.066 7.316 -4.610 1.00 0.00 ? 6 TRP A HD1 1 ATOM 100 H HE1 . TRP A 1 6 ? 5.575 7.897 -2.155 1.00 0.00 ? 6 TRP A HE1 1 ATOM 101 H HE3 . TRP A 1 6 ? 0.383 6.722 -2.648 1.00 0.00 ? 6 TRP A HE3 1 ATOM 102 H HZ2 . TRP A 1 6 ? 4.176 8.079 0.290 1.00 0.00 ? 6 TRP A HZ2 1 ATOM 103 H HZ3 . TRP A 1 6 ? 0.053 7.119 -0.242 1.00 0.00 ? 6 TRP A HZ3 1 ATOM 104 H HH2 . TRP A 1 6 ? 1.912 7.783 1.195 1.00 0.00 ? 6 TRP A HH2 1 ATOM 105 N N . TYR A 1 7 ? -0.375 5.195 -5.627 1.00 0.00 ? 7 TYR A N 1 ATOM 106 C CA . TYR A 1 7 ? -1.785 4.983 -5.321 1.00 0.00 ? 7 TYR A CA 1 ATOM 107 C C . TYR A 1 7 ? -2.658 5.298 -6.532 1.00 0.00 ? 7 TYR A C 1 ATOM 108 O O . TYR A 1 7 ? -2.162 5.446 -7.649 1.00 0.00 ? 7 TYR A O 1 ATOM 109 C CB . TYR A 1 7 ? -2.207 5.851 -4.135 1.00 0.00 ? 7 TYR A CB 1 ATOM 110 C CG . TYR A 1 7 ? -3.097 5.132 -3.145 1.00 0.00 ? 7 TYR A CG 1 ATOM 111 C CD1 . TYR A 1 7 ? -2.702 3.929 -2.573 1.00 0.00 ? 7 TYR A CD1 1 ATOM 112 C CD2 . TYR A 1 7 ? -4.331 5.656 -2.783 1.00 0.00 ? 7 TYR A CD2 1 ATOM 113 C CE1 . TYR A 1 7 ? -3.512 3.268 -1.669 1.00 0.00 ? 7 TYR A CE1 1 ATOM 114 C CE2 . TYR A 1 7 ? -5.146 5.004 -1.878 1.00 0.00 ? 7 TYR A CE2 1 ATOM 115 C CZ . TYR A 1 7 ? -4.732 3.810 -1.325 1.00 0.00 ? 7 TYR A CZ 1 ATOM 116 O OH . TYR A 1 7 ? -5.542 3.156 -0.425 1.00 0.00 ? 7 TYR A OH 1 ATOM 117 H H . TYR A 1 7 ? -0.127 5.591 -6.488 1.00 0.00 ? 7 TYR A H 1 ATOM 118 H HA . TYR A 1 7 ? -1.915 3.943 -5.059 1.00 0.00 ? 7 TYR A HA 1 ATOM 119 H HB2 . TYR A 1 7 ? -1.326 6.182 -3.608 1.00 0.00 ? 7 TYR A HB2 1 ATOM 120 H HB3 . TYR A 1 7 ? -2.746 6.712 -4.501 1.00 0.00 ? 7 TYR A HB3 1 ATOM 121 H HD1 . TYR A 1 7 ? -1.745 3.507 -2.845 1.00 0.00 ? 7 TYR A HD1 1 ATOM 122 H HD2 . TYR A 1 7 ? -4.652 6.591 -3.218 1.00 0.00 ? 7 TYR A HD2 1 ATOM 123 H HE1 . TYR A 1 7 ? -3.188 2.334 -1.235 1.00 0.00 ? 7 TYR A HE1 1 ATOM 124 H HE2 . TYR A 1 7 ? -6.103 5.427 -1.609 1.00 0.00 ? 7 TYR A HE2 1 ATOM 125 H HH . TYR A 1 7 ? -6.052 2.483 -0.883 1.00 0.00 ? 7 TYR A HH 1 ATOM 126 N N . THR A 1 8 ? -3.964 5.400 -6.302 1.00 0.00 ? 8 THR A N 1 ATOM 127 C CA . THR A 1 8 ? -4.907 5.697 -7.372 1.00 0.00 ? 8 THR A CA 1 ATOM 128 C C . THR A 1 8 ? -5.282 7.174 -7.380 1.00 0.00 ? 8 THR A C 1 ATOM 129 O O . THR A 1 8 ? -6.359 7.550 -7.847 1.00 0.00 ? 8 THR A O 1 ATOM 130 C CB . THR A 1 8 ? -6.190 4.854 -7.239 1.00 0.00 ? 8 THR A CB 1 ATOM 131 O OG1 . THR A 1 8 ? -5.862 3.526 -6.817 1.00 0.00 ? 8 THR A OG1 1 ATOM 132 C CG2 . THR A 1 8 ? -6.942 4.801 -8.561 1.00 0.00 ? 8 THR A CG2 1 ATOM 133 H H . THR A 1 8 ? -4.298 5.271 -5.390 1.00 0.00 ? 8 THR A H 1 ATOM 134 H HA . THR A 1 8 ? -4.435 5.449 -8.312 1.00 0.00 ? 8 THR A HA 1 ATOM 135 H HB . THR A 1 8 ? -6.828 5.312 -6.497 1.00 0.00 ? 8 THR A HB 1 ATOM 136 H HG1 . THR A 1 8 ? -5.932 3.467 -5.861 1.00 0.00 ? 8 THR A HG1 1 ATOM 137 H HG21 . THR A 1 8 ? -6.366 5.304 -9.322 1.00 0.00 ? 8 THR A HG21 1 ATOM 138 H HG22 . THR A 1 8 ? -7.899 5.290 -8.451 1.00 0.00 ? 8 THR A HG22 1 ATOM 139 H HG23 . THR A 1 8 ? -7.095 3.771 -8.847 1.00 0.00 ? 8 THR A HG23 1 ATOM 140 N N . LEU A 1 9 ? -4.388 8.009 -6.862 1.00 0.00 ? 9 LEU A N 1 ATOM 141 C CA . LEU A 1 9 ? -4.625 9.448 -6.811 1.00 0.00 ? 9 LEU A CA 1 ATOM 142 C C . LEU A 1 9 ? -4.697 10.038 -8.216 1.00 0.00 ? 9 LEU A C 1 ATOM 143 O O . LEU A 1 9 ? -5.370 11.043 -8.443 1.00 0.00 ? 9 LEU A O 1 ATOM 144 C CB . LEU A 1 9 ? -3.519 10.138 -6.011 1.00 0.00 ? 9 LEU A CB 1 ATOM 145 C CG . LEU A 1 9 ? -3.825 10.409 -4.538 1.00 0.00 ? 9 LEU A CG 1 ATOM 146 C CD1 . LEU A 1 9 ? -4.904 11.471 -4.403 1.00 0.00 ? 9 LEU A CD1 1 ATOM 147 C CD2 . LEU A 1 9 ? -4.246 9.126 -3.836 1.00 0.00 ? 9 LEU A CD2 1 ATOM 148 H H . LEU A 1 9 ? -3.549 7.651 -6.506 1.00 0.00 ? 9 LEU A H 1 ATOM 149 H HA . LEU A 1 9 ? -5.571 9.610 -6.316 1.00 0.00 ? 9 LEU A HA 1 ATOM 150 H HB2 . LEU A 1 9 ? -2.639 9.514 -6.057 1.00 0.00 ? 9 LEU A HB2 1 ATOM 151 H HB3 . LEU A 1 9 ? -3.311 11.086 -6.487 1.00 0.00 ? 9 LEU A HB3 1 ATOM 152 H HG . LEU A 1 9 ? -2.932 10.778 -4.053 1.00 0.00 ? 9 LEU A HG 1 ATOM 153 H HD11 . LEU A 1 9 ? -4.449 12.417 -4.149 1.00 0.00 ? 9 LEU A HD11 1 ATOM 154 H HD12 . LEU A 1 9 ? -5.597 11.185 -3.626 1.00 0.00 ? 9 LEU A HD12 1 ATOM 155 H HD13 . LEU A 1 9 ? -5.435 11.566 -5.340 1.00 0.00 ? 9 LEU A HD13 1 ATOM 156 H HD21 . LEU A 1 9 ? -5.313 9.140 -3.670 1.00 0.00 ? 9 LEU A HD21 1 ATOM 157 H HD22 . LEU A 1 9 ? -3.735 9.050 -2.888 1.00 0.00 ? 9 LEU A HD22 1 ATOM 158 H HD23 . LEU A 1 9 ? -3.989 8.277 -4.453 1.00 0.00 ? 9 LEU A HD23 1 ATOM 159 N N . ALA A 1 10 ? -4.000 9.406 -9.154 1.00 0.00 ? 10 ALA A N 1 ATOM 160 C CA . ALA A 1 10 ? -3.989 9.866 -10.537 1.00 0.00 ? 10 ALA A CA 1 ATOM 161 C C . ALA A 1 10 ? -3.340 11.241 -10.653 1.00 0.00 ? 10 ALA A C 1 ATOM 162 O O . ALA A 1 10 ? -3.982 12.209 -11.058 1.00 0.00 ? 10 ALA A O 1 ATOM 163 C CB . ALA A 1 10 ? -5.404 9.900 -11.094 1.00 0.00 ? 10 ALA A CB 1 ATOM 164 H H . ALA A 1 10 ? -3.483 8.610 -8.911 1.00 0.00 ? 10 ALA A H 1 ATOM 165 H HA . ALA A 1 10 ? -3.416 9.159 -11.120 1.00 0.00 ? 10 ALA A HA 1 ATOM 166 H HB1 . ALA A 1 10 ? -5.372 9.759 -12.165 1.00 0.00 ? 10 ALA A HB1 1 ATOM 167 H HB2 . ALA A 1 10 ? -5.987 9.110 -10.644 1.00 0.00 ? 10 ALA A HB2 1 ATOM 168 H HB3 . ALA A 1 10 ? -5.856 10.854 -10.869 1.00 0.00 ? 10 ALA A HB3 1 ATOM 169 N N . MET A 1 11 ? -2.062 11.319 -10.294 1.00 0.00 ? 11 MET A N 1 ATOM 170 C CA . MET A 1 11 ? -1.327 12.577 -10.358 1.00 0.00 ? 11 MET A CA 1 ATOM 171 C C . MET A 1 11 ? -1.231 13.078 -11.796 1.00 0.00 ? 11 MET A C 1 ATOM 172 O O . MET A 1 11 ? -1.840 14.086 -12.154 1.00 0.00 ? 11 MET A O 1 ATOM 173 C CB . MET A 1 11 ? 0.076 12.402 -9.773 1.00 0.00 ? 11 MET A CB 1 ATOM 174 C CG . MET A 1 11 ? 0.088 11.709 -8.420 1.00 0.00 ? 11 MET A CG 1 ATOM 175 S SD . MET A 1 11 ? 0.953 10.127 -8.458 1.00 0.00 ? 11 MET A SD 1 ATOM 176 C CE . MET A 1 11 ? 0.233 9.313 -7.034 1.00 0.00 ? 11 MET A CE 1 ATOM 177 H H . MET A 1 11 ? -1.603 10.513 -9.979 1.00 0.00 ? 11 MET A H 1 ATOM 178 H HA . MET A 1 11 ? -1.864 13.306 -9.770 1.00 0.00 ? 11 MET A HA 1 ATOM 179 H HB2 . MET A 1 11 ? 0.669 11.817 -10.459 1.00 0.00 ? 11 MET A HB2 1 ATOM 180 H HB3 . MET A 1 11 ? 0.529 13.376 -9.657 1.00 0.00 ? 11 MET A HB3 1 ATOM 181 H HG2 . MET A 1 11 ? 0.577 12.352 -7.704 1.00 0.00 ? 11 MET A HG2 1 ATOM 182 H HG3 . MET A 1 11 ? -0.932 11.539 -8.110 1.00 0.00 ? 11 MET A HG3 1 ATOM 183 H HE1 . MET A 1 11 ? 0.993 9.171 -6.279 1.00 0.00 ? 11 MET A HE1 1 ATOM 184 H HE2 . MET A 1 11 ? -0.562 9.924 -6.634 1.00 0.00 ? 11 MET A HE2 1 ATOM 185 H HE3 . MET A 1 11 ? -0.164 8.354 -7.331 1.00 0.00 ? 11 MET A HE3 1 ATOM 186 N N . CYS A 1 12 ? -0.464 12.368 -12.616 1.00 0.00 ? 12 CYS A N 1 ATOM 187 C CA . CYS A 1 12 ? -0.288 12.741 -14.014 1.00 0.00 ? 12 CYS A CA 1 ATOM 188 C C . CYS A 1 12 ? -1.636 12.858 -14.719 1.00 0.00 ? 12 CYS A C 1 ATOM 189 O O . CYS A 1 12 ? -2.630 12.282 -14.281 1.00 0.00 ? 12 CYS A O 1 ATOM 190 C CB . CYS A 1 12 ? 0.588 11.711 -14.732 1.00 0.00 ? 12 CYS A CB 1 ATOM 191 S SG . CYS A 1 12 ? -0.247 10.126 -15.061 1.00 0.00 ? 12 CYS A SG 1 ATOM 192 H H . CYS A 1 12 ? -0.003 11.573 -12.271 1.00 0.00 ? 12 CYS A H 1 ATOM 193 H HA . CYS A 1 12 ? 0.205 13.701 -14.042 1.00 0.00 ? 12 CYS A HA 1 ATOM 194 H HB2 . CYS A 1 12 ? 0.903 12.118 -15.681 1.00 0.00 ? 12 CYS A HB2 1 ATOM 195 H HB3 . CYS A 1 12 ? 1.458 11.505 -14.126 1.00 0.00 ? 12 CYS A HB3 1 ATOM 196 N N . GLY A 1 13 ? -1.660 13.610 -15.816 1.00 0.00 ? 13 GLY A N 1 ATOM 197 C CA . GLY A 1 13 ? -2.890 13.790 -16.564 1.00 0.00 ? 13 GLY A CA 1 ATOM 198 C C . GLY A 1 13 ? -3.654 15.027 -16.136 1.00 0.00 ? 13 GLY A C 1 ATOM 199 O O . GLY A 1 13 ? -4.448 15.571 -16.902 1.00 0.00 ? 13 GLY A O 1 ATOM 200 H H . GLY A 1 13 ? -0.836 14.046 -16.119 1.00 0.00 ? 13 GLY A H 1 ATOM 201 H HA2 . GLY A 1 13 ? -2.651 13.873 -17.614 1.00 0.00 ? 13 GLY A HA2 1 ATOM 202 H HA3 . GLY A 1 13 ? -3.518 12.924 -16.416 1.00 0.00 ? 13 GLY A HA3 1 ATOM 203 N N . ALA A 1 14 ? -3.415 15.472 -14.906 1.00 0.00 ? 14 ALA A N 1 ATOM 204 C CA . ALA A 1 14 ? -4.086 16.652 -14.377 1.00 0.00 ? 14 ALA A CA 1 ATOM 205 C C . ALA A 1 14 ? -3.126 17.833 -14.279 1.00 0.00 ? 14 ALA A C 1 ATOM 206 O O . ALA A 1 14 ? -3.298 18.718 -13.443 1.00 0.00 ? 14 ALA A O 1 ATOM 207 C CB . ALA A 1 14 ? -4.692 16.349 -13.014 1.00 0.00 ? 14 ALA A CB 1 ATOM 208 H H . ALA A 1 14 ? -2.771 14.995 -14.342 1.00 0.00 ? 14 ALA A H 1 ATOM 209 H HA . ALA A 1 14 ? -4.890 16.910 -15.051 1.00 0.00 ? 14 ALA A HA 1 ATOM 210 H HB1 . ALA A 1 14 ? -5.481 15.619 -13.127 1.00 0.00 ? 14 ALA A HB1 1 ATOM 211 H HB2 . ALA A 1 14 ? -3.928 15.956 -12.360 1.00 0.00 ? 14 ALA A HB2 1 ATOM 212 H HB3 . ALA A 1 14 ? -5.098 17.255 -12.591 1.00 0.00 ? 14 ALA A HB3 1 ATOM 213 N N . GLY A 1 15 ? -2.112 17.838 -15.140 1.00 0.00 ? 15 GLY A N 1 ATOM 214 C CA . GLY A 1 15 ? -1.139 18.914 -15.133 1.00 0.00 ? 15 GLY A CA 1 ATOM 215 C C . GLY A 1 15 ? 0.166 18.512 -14.474 1.00 0.00 ? 15 GLY A C 1 ATOM 216 O O . GLY A 1 15 ? 1.207 19.120 -14.720 1.00 0.00 ? 15 GLY A O 1 ATOM 217 H H . GLY A 1 15 ? -2.025 17.105 -15.785 1.00 0.00 ? 15 GLY A H 1 ATOM 218 H HA2 . GLY A 1 15 ? -0.939 19.210 -16.152 1.00 0.00 ? 15 GLY A HA2 1 ATOM 219 H HA3 . GLY A 1 15 ? -1.554 19.756 -14.599 1.00 0.00 ? 15 GLY A HA3 1 ATOM 220 N N . TYR A 1 16 ? 0.109 17.486 -13.632 1.00 0.00 ? 16 TYR A N 1 ATOM 221 C CA . TYR A 1 16 ? 1.294 17.006 -12.931 1.00 0.00 ? 16 TYR A CA 1 ATOM 222 C C . TYR A 1 16 ? 2.413 16.679 -13.915 1.00 0.00 ? 16 TYR A C 1 ATOM 223 O O . TYR A 1 16 ? 3.595 16.816 -13.596 1.00 0.00 ? 16 TYR A O 1 ATOM 224 C CB . TYR A 1 16 ? 0.954 15.769 -12.099 1.00 0.00 ? 16 TYR A CB 1 ATOM 225 C CG . TYR A 1 16 ? 0.658 16.077 -10.648 1.00 0.00 ? 16 TYR A CG 1 ATOM 226 C CD1 . TYR A 1 16 ? -0.601 16.514 -10.253 1.00 0.00 ? 16 TYR A CD1 1 ATOM 227 C CD2 . TYR A 1 16 ? 1.636 15.931 -9.673 1.00 0.00 ? 16 TYR A CD2 1 ATOM 228 C CE1 . TYR A 1 16 ? -0.875 16.798 -8.930 1.00 0.00 ? 16 TYR A CE1 1 ATOM 229 C CE2 . TYR A 1 16 ? 1.370 16.211 -8.346 1.00 0.00 ? 16 TYR A CE2 1 ATOM 230 C CZ . TYR A 1 16 ? 0.113 16.645 -7.980 1.00 0.00 ? 16 TYR A CZ 1 ATOM 231 O OH . TYR A 1 16 ? -0.157 16.925 -6.660 1.00 0.00 ? 16 TYR A OH 1 ATOM 232 H H . TYR A 1 16 ? -0.750 17.042 -13.476 1.00 0.00 ? 16 TYR A H 1 ATOM 233 H HA . TYR A 1 16 ? 1.629 17.792 -12.270 1.00 0.00 ? 16 TYR A HA 1 ATOM 234 H HB2 . TYR A 1 16 ? 0.084 15.288 -12.519 1.00 0.00 ? 16 TYR A HB2 1 ATOM 235 H HB3 . TYR A 1 16 ? 1.788 15.083 -12.129 1.00 0.00 ? 16 TYR A HB3 1 ATOM 236 H HD1 . TYR A 1 16 ? -1.373 16.633 -11.000 1.00 0.00 ? 16 TYR A HD1 1 ATOM 237 H HD2 . TYR A 1 16 ? 2.620 15.591 -9.963 1.00 0.00 ? 16 TYR A HD2 1 ATOM 238 H HE1 . TYR A 1 16 ? -1.860 17.137 -8.642 1.00 0.00 ? 16 TYR A HE1 1 ATOM 239 H HE2 . TYR A 1 16 ? 2.144 16.092 -7.602 1.00 0.00 ? 16 TYR A HE2 1 ATOM 240 H HH . TYR A 1 16 ? -1.057 17.250 -6.580 1.00 0.00 ? 16 TYR A HH 1 ATOM 241 N N . ASP A 1 17 ? 2.032 16.247 -15.112 1.00 0.00 ? 17 ASP A N 1 ATOM 242 C CA . ASP A 1 17 ? 3.002 15.902 -16.145 1.00 0.00 ? 17 ASP A CA 1 ATOM 243 C C . ASP A 1 17 ? 2.736 16.687 -17.425 1.00 0.00 ? 17 ASP A C 1 ATOM 244 O O . ASP A 1 17 ? 1.863 17.554 -17.463 1.00 0.00 ? 17 ASP A O 1 ATOM 245 C CB . ASP A 1 17 ? 2.959 14.400 -16.434 1.00 0.00 ? 17 ASP A CB 1 ATOM 246 C CG . ASP A 1 17 ? 3.341 13.567 -15.226 1.00 0.00 ? 17 ASP A CG 1 ATOM 247 O OD1 . ASP A 1 17 ? 2.700 13.729 -14.167 1.00 0.00 ? 17 ASP A OD1 1 ATOM 248 O OD2 . ASP A 1 17 ? 4.282 12.753 -15.340 1.00 0.00 ? 17 ASP A OD2 1 ATOM 249 H H . ASP A 1 17 ? 1.075 16.159 -15.306 1.00 0.00 ? 17 ASP A H 1 ATOM 250 H HA . ASP A 1 17 ? 3.984 16.160 -15.777 1.00 0.00 ? 17 ASP A HA 1 ATOM 251 H HB2 . ASP A 1 17 ? 1.958 14.127 -16.734 1.00 0.00 ? 17 ASP A HB2 1 ATOM 252 H HB3 . ASP A 1 17 ? 3.645 14.175 -17.237 1.00 0.00 ? 17 ASP A HB3 1 ATOM 253 N N . SER A 1 18 ? 3.495 16.378 -18.471 1.00 0.00 ? 18 SER A N 1 ATOM 254 C CA . SER A 1 18 ? 3.344 17.058 -19.753 1.00 0.00 ? 18 SER A CA 1 ATOM 255 C C . SER A 1 18 ? 2.226 16.425 -20.575 1.00 0.00 ? 18 SER A C 1 ATOM 256 O O . SER A 1 18 ? 2.563 15.455 -21.252 1.00 0.00 ? 18 SER A O 1 ATOM 257 C CB . SER A 1 18 ? 4.657 17.012 -20.536 1.00 0.00 ? 18 SER A CB 1 ATOM 258 O OG . SER A 1 18 ? 5.602 17.923 -20.001 1.00 0.00 ? 18 SER A OG 1 ATOM 259 H H . SER A 1 18 ? 4.174 15.678 -18.379 1.00 0.00 ? 18 SER A H 1 ATOM 260 H HA . SER A 1 18 ? 3.090 18.088 -19.553 1.00 0.00 ? 18 SER A HA 1 ATOM 261 H HB2 . SER A 1 18 ? 5.068 16.016 -20.487 1.00 0.00 ? 18 SER A HB2 1 ATOM 262 H HB3 . SER A 1 18 ? 4.468 17.273 -21.567 1.00 0.00 ? 18 SER A HB3 1 ATOM 263 N N . GLY A 1 19 ? 1.091 16.427 -19.855 1.00 0.00 ? 19 GLY A N 1 ATOM 264 C CA . GLY A 1 19 ? 0.188 15.291 -19.877 1.00 0.00 ? 19 GLY A CA 1 ATOM 265 C C . GLY A 1 19 ? 0.855 14.030 -20.390 1.00 0.00 ? 19 GLY A C 1 ATOM 266 O O . GLY A 1 19 ? 0.655 13.636 -21.540 1.00 0.00 ? 19 GLY A O 1 ATOM 267 H H . GLY A 1 19 ? 0.870 17.216 -19.319 1.00 0.00 ? 19 GLY A H 1 ATOM 268 H HA2 . GLY A 1 19 ? -0.173 15.113 -18.875 1.00 0.00 ? 19 GLY A HA2 1 ATOM 269 H HA3 . GLY A 1 19 ? -0.651 15.526 -20.515 1.00 0.00 ? 19 GLY A HA3 1 ATOM 270 N N . THR A 1 20 ? 1.652 13.395 -19.537 1.00 0.00 ? 20 THR A N 1 ATOM 271 C CA . THR A 1 20 ? 2.353 12.173 -19.912 1.00 0.00 ? 20 THR A CA 1 ATOM 272 C C . THR A 1 20 ? 2.601 11.287 -18.696 1.00 0.00 ? 20 THR A C 1 ATOM 273 O O . THR A 1 20 ? 2.963 11.773 -17.624 1.00 0.00 ? 20 THR A O 1 ATOM 274 C CB . THR A 1 20 ? 3.700 12.483 -20.590 1.00 0.00 ? 20 THR A CB 1 ATOM 275 O OG1 . THR A 1 20 ? 4.221 11.302 -21.209 1.00 0.00 ? 20 THR A OG1 1 ATOM 276 C CG2 . THR A 1 20 ? 4.705 13.018 -19.580 1.00 0.00 ? 20 THR A CG2 1 ATOM 277 H H . THR A 1 20 ? 1.772 13.758 -18.635 1.00 0.00 ? 20 THR A H 1 ATOM 278 H HA . THR A 1 20 ? 1.734 11.636 -20.616 1.00 0.00 ? 20 THR A HA 1 ATOM 279 H HB . THR A 1 20 ? 3.539 13.236 -21.348 1.00 0.00 ? 20 THR A HB 1 ATOM 280 H HG1 . THR A 1 20 ? 4.730 10.801 -20.566 1.00 0.00 ? 20 THR A HG1 1 ATOM 281 H HG21 . THR A 1 20 ? 4.906 12.260 -18.838 1.00 0.00 ? 20 THR A HG21 1 ATOM 282 H HG22 . THR A 1 20 ? 4.298 13.895 -19.098 1.00 0.00 ? 20 THR A HG22 1 ATOM 283 H HG23 . THR A 1 20 ? 5.622 13.278 -20.087 1.00 0.00 ? 20 THR A HG23 1 ATOM 284 N N . CYS A 1 21 ? 2.405 9.984 -18.869 1.00 0.00 ? 21 CYS A N 1 ATOM 285 C CA . CYS A 1 21 ? 2.608 9.029 -17.787 1.00 0.00 ? 21 CYS A CA 1 ATOM 286 C C . CYS A 1 21 ? 3.475 7.861 -18.247 1.00 0.00 ? 21 CYS A C 1 ATOM 287 O O . CYS A 1 21 ? 3.992 7.861 -19.364 1.00 0.00 ? 21 CYS A O 1 ATOM 288 C CB . CYS A 1 21 ? 1.262 8.510 -17.277 1.00 0.00 ? 21 CYS A CB 1 ATOM 289 S SG . CYS A 1 21 ? 0.019 9.813 -17.003 1.00 0.00 ? 21 CYS A SG 1 ATOM 290 H H . CYS A 1 21 ? 2.117 9.656 -19.748 1.00 0.00 ? 21 CYS A H 1 ATOM 291 H HA . CYS A 1 21 ? 3.114 9.542 -16.983 1.00 0.00 ? 21 CYS A HA 1 ATOM 292 H HB2 . CYS A 1 21 ? 0.856 7.817 -18.000 1.00 0.00 ? 21 CYS A HB2 1 ATOM 293 H HB3 . CYS A 1 21 ? 1.414 7.997 -16.340 1.00 0.00 ? 21 CYS A HB3 1 ATOM 294 N N . ASP A 1 22 ? 3.629 6.867 -17.378 1.00 0.00 ? 22 ASP A N 1 ATOM 295 C CA . ASP A 1 22 ? 4.432 5.692 -17.695 1.00 0.00 ? 22 ASP A CA 1 ATOM 296 C C . ASP A 1 22 ? 3.936 4.472 -16.926 1.00 0.00 ? 22 ASP A C 1 ATOM 297 O O . ASP A 1 22 ? 3.269 3.601 -17.486 1.00 0.00 ? 22 ASP A O 1 ATOM 298 C CB . ASP A 1 22 ? 5.904 5.951 -17.372 1.00 0.00 ? 22 ASP A CB 1 ATOM 299 C CG . ASP A 1 22 ? 6.746 6.141 -18.618 1.00 0.00 ? 22 ASP A CG 1 ATOM 300 O OD1 . ASP A 1 22 ? 7.061 5.130 -19.281 1.00 0.00 ? 22 ASP A OD1 1 ATOM 301 O OD2 . ASP A 1 22 ? 7.090 7.300 -18.930 1.00 0.00 ? 22 ASP A OD2 1 ATOM 302 H H . ASP A 1 22 ? 3.191 6.926 -16.503 1.00 0.00 ? 22 ASP A H 1 ATOM 303 H HA . ASP A 1 22 ? 4.334 5.499 -18.753 1.00 0.00 ? 22 ASP A HA 1 ATOM 304 H HB2 . ASP A 1 22 ? 5.981 6.844 -16.768 1.00 0.00 ? 22 ASP A HB2 1 ATOM 305 H HB3 . ASP A 1 22 ? 6.297 5.112 -16.817 1.00 0.00 ? 22 ASP A HB3 1 ATOM 306 N N . TYR A 1 23 ? 4.266 4.415 -15.641 1.00 0.00 ? 23 TYR A N 1 ATOM 307 C CA . TYR A 1 23 ? 3.858 3.300 -14.795 1.00 0.00 ? 23 TYR A CA 1 ATOM 308 C C . TYR A 1 23 ? 2.340 3.255 -14.647 1.00 0.00 ? 23 TYR A C 1 ATOM 309 O O . TYR A 1 23 ? 1.761 2.201 -14.389 1.00 0.00 ? 23 TYR A O 1 ATOM 310 C CB . TYR A 1 23 ? 4.513 3.410 -13.417 1.00 0.00 ? 23 TYR A CB 1 ATOM 311 C CG . TYR A 1 23 ? 5.982 3.761 -13.472 1.00 0.00 ? 23 TYR A CG 1 ATOM 312 C CD1 . TYR A 1 23 ? 6.893 2.924 -14.105 1.00 0.00 ? 23 TYR A CD1 1 ATOM 313 C CD2 . TYR A 1 23 ? 6.461 4.927 -12.889 1.00 0.00 ? 23 TYR A CD2 1 ATOM 314 C CE1 . TYR A 1 23 ? 8.237 3.239 -14.157 1.00 0.00 ? 23 TYR A CE1 1 ATOM 315 C CE2 . TYR A 1 23 ? 7.803 5.251 -12.937 1.00 0.00 ? 23 TYR A CE2 1 ATOM 316 C CZ . TYR A 1 23 ? 8.687 4.404 -13.572 1.00 0.00 ? 23 TYR A CZ 1 ATOM 317 O OH . TYR A 1 23 ? 10.025 4.723 -13.621 1.00 0.00 ? 23 TYR A OH 1 ATOM 318 H H . TYR A 1 23 ? 4.799 5.139 -15.251 1.00 0.00 ? 23 TYR A H 1 ATOM 319 H HA . TYR A 1 23 ? 4.189 2.386 -15.268 1.00 0.00 ? 23 TYR A HA 1 ATOM 320 H HB2 . TYR A 1 23 ? 4.010 4.178 -12.848 1.00 0.00 ? 23 TYR A HB2 1 ATOM 321 H HB3 . TYR A 1 23 ? 4.415 2.466 -12.903 1.00 0.00 ? 23 TYR A HB3 1 ATOM 322 H HD1 . TYR A 1 23 ? 6.537 2.012 -14.563 1.00 0.00 ? 23 TYR A HD1 1 ATOM 323 H HD2 . TYR A 1 23 ? 5.766 5.588 -12.391 1.00 0.00 ? 23 TYR A HD2 1 ATOM 324 H HE1 . TYR A 1 23 ? 8.929 2.576 -14.655 1.00 0.00 ? 23 TYR A HE1 1 ATOM 325 H HE2 . TYR A 1 23 ? 8.156 6.163 -12.478 1.00 0.00 ? 23 TYR A HE2 1 ATOM 326 H HH . TYR A 1 23 ? 10.433 4.274 -14.365 1.00 0.00 ? 23 TYR A HH 1 ATOM 327 N N . MET A 1 24 ? 1.702 4.409 -14.814 1.00 0.00 ? 24 MET A N 1 ATOM 328 C CA . MET A 1 24 ? 0.251 4.503 -14.702 1.00 0.00 ? 24 MET A CA 1 ATOM 329 C C . MET A 1 24 ? -0.433 3.662 -15.775 1.00 0.00 ? 24 MET A C 1 ATOM 330 O O . MET A 1 24 ? -1.401 2.953 -15.498 1.00 0.00 ? 24 MET A O 1 ATOM 331 C CB . MET A 1 24 ? -0.198 5.961 -14.817 1.00 0.00 ? 24 MET A CB 1 ATOM 332 C CG . MET A 1 24 ? 0.109 6.791 -13.581 1.00 0.00 ? 24 MET A CG 1 ATOM 333 S SD . MET A 1 24 ? 1.761 7.513 -13.621 1.00 0.00 ? 24 MET A SD 1 ATOM 334 C CE . MET A 1 24 ? 2.647 6.394 -12.540 1.00 0.00 ? 24 MET A CE 1 ATOM 335 H H . MET A 1 24 ? 2.218 5.217 -15.019 1.00 0.00 ? 24 MET A H 1 ATOM 336 H HA . MET A 1 24 ? -0.031 4.125 -13.730 1.00 0.00 ? 24 MET A HA 1 ATOM 337 H HB2 . MET A 1 24 ? 0.302 6.414 -15.661 1.00 0.00 ? 24 MET A HB2 1 ATOM 338 H HB3 . MET A 1 24 ? -1.264 5.986 -14.984 1.00 0.00 ? 24 MET A HB3 1 ATOM 339 H HG2 . MET A 1 24 ? -0.615 7.589 -13.509 1.00 0.00 ? 24 MET A HG2 1 ATOM 340 H HG3 . MET A 1 24 ? 0.030 6.157 -12.710 1.00 0.00 ? 24 MET A HG3 1 ATOM 341 H HE1 . MET A 1 24 ? 3.666 6.292 -12.884 1.00 0.00 ? 24 MET A HE1 1 ATOM 342 H HE2 . MET A 1 24 ? 2.644 6.787 -11.534 1.00 0.00 ? 24 MET A HE2 1 ATOM 343 H HE3 . MET A 1 24 ? 2.165 5.427 -12.550 1.00 0.00 ? 24 MET A HE3 1 ATOM 344 N N . TYR A 1 25 ? 0.075 3.746 -16.999 1.00 0.00 ? 25 TYR A N 1 ATOM 345 C CA . TYR A 1 25 ? -0.489 2.995 -18.114 1.00 0.00 ? 25 TYR A CA 1 ATOM 346 C C . TYR A 1 25 ? -0.277 1.496 -17.924 1.00 0.00 ? 25 TYR A C 1 ATOM 347 O O . TYR A 1 25 ? -0.849 0.680 -18.647 1.00 0.00 ? 25 TYR A O 1 ATOM 348 C CB . TYR A 1 25 ? 0.141 3.448 -19.432 1.00 0.00 ? 25 TYR A CB 1 ATOM 349 C CG . TYR A 1 25 ? -0.436 4.739 -19.968 1.00 0.00 ? 25 TYR A CG 1 ATOM 350 C CD1 . TYR A 1 25 ? -0.440 5.894 -19.197 1.00 0.00 ? 25 TYR A CD1 1 ATOM 351 C CD2 . TYR A 1 25 ? -0.978 4.802 -21.246 1.00 0.00 ? 25 TYR A CD2 1 ATOM 352 C CE1 . TYR A 1 25 ? -0.967 7.075 -19.682 1.00 0.00 ? 25 TYR A CE1 1 ATOM 353 C CE2 . TYR A 1 25 ? -1.506 5.979 -21.740 1.00 0.00 ? 25 TYR A CE2 1 ATOM 354 C CZ . TYR A 1 25 ? -1.499 7.113 -20.954 1.00 0.00 ? 25 TYR A CZ 1 ATOM 355 O OH . TYR A 1 25 ? -2.024 8.288 -21.441 1.00 0.00 ? 25 TYR A OH 1 ATOM 356 H H . TYR A 1 25 ? 0.847 4.329 -17.158 1.00 0.00 ? 25 TYR A H 1 ATOM 357 H HA . TYR A 1 25 ? -1.550 3.196 -18.146 1.00 0.00 ? 25 TYR A HA 1 ATOM 358 H HB2 . TYR A 1 25 ? 1.200 3.595 -19.285 1.00 0.00 ? 25 TYR A HB2 1 ATOM 359 H HB3 . TYR A 1 25 ? -0.011 2.681 -20.178 1.00 0.00 ? 25 TYR A HB3 1 ATOM 360 H HD1 . TYR A 1 25 ? -0.021 5.861 -18.201 1.00 0.00 ? 25 TYR A HD1 1 ATOM 361 H HD2 . TYR A 1 25 ? -0.983 3.913 -21.859 1.00 0.00 ? 25 TYR A HD2 1 ATOM 362 H HE1 . TYR A 1 25 ? -0.961 7.963 -19.067 1.00 0.00 ? 25 TYR A HE1 1 ATOM 363 H HE2 . TYR A 1 25 ? -1.923 6.009 -22.736 1.00 0.00 ? 25 TYR A HE2 1 ATOM 364 H HH . TYR A 1 25 ? -2.044 8.255 -22.401 1.00 0.00 ? 25 TYR A HH 1 ATOM 365 N N . SER A 1 26 ? 0.550 1.142 -16.946 1.00 0.00 ? 26 SER A N 1 ATOM 366 C CA . SER A 1 26 ? 0.842 -0.258 -16.661 1.00 0.00 ? 26 SER A CA 1 ATOM 367 C C . SER A 1 26 ? -0.201 -0.850 -15.717 1.00 0.00 ? 26 SER A C 1 ATOM 368 O O . SER A 1 26 ? 0.100 -1.738 -14.919 1.00 0.00 ? 26 SER A O 1 ATOM 369 C CB . SER A 1 26 ? 2.237 -0.396 -16.049 1.00 0.00 ? 26 SER A CB 1 ATOM 370 O OG . SER A 1 26 ? 2.812 -1.652 -16.367 1.00 0.00 ? 26 SER A OG 1 ATOM 371 H H . SER A 1 26 ? 0.976 1.839 -16.404 1.00 0.00 ? 26 SER A H 1 ATOM 372 H HA . SER A 1 26 ? 0.813 -0.799 -17.595 1.00 0.00 ? 26 SER A HA 1 ATOM 373 H HB2 . SER A 1 26 ? 2.875 0.386 -16.432 1.00 0.00 ? 26 SER A HB2 1 ATOM 374 H HB3 . SER A 1 26 ? 2.166 -0.308 -14.974 1.00 0.00 ? 26 SER A HB3 1 ATOM 375 H HG . SER A 1 26 ? 3.074 -2.099 -15.559 1.00 0.00 ? 26 SER A HG 1 ATOM 376 N N . HIS A 1 27 ? -1.429 -0.349 -15.814 1.00 0.00 ? 27 HIS A N 1 ATOM 377 C CA . HIS A 1 27 ? -2.518 -0.828 -14.970 1.00 0.00 ? 27 HIS A CA 1 ATOM 378 C C . HIS A 1 27 ? -2.145 -0.728 -13.493 1.00 0.00 ? 27 HIS A C 1 ATOM 379 O O . HIS A 1 27 ? -2.235 -1.707 -12.752 1.00 0.00 ? 27 HIS A O 1 ATOM 380 C CB . HIS A 1 27 ? -2.868 -2.273 -15.323 1.00 0.00 ? 27 HIS A CB 1 ATOM 381 C CG . HIS A 1 27 ? -3.814 -2.395 -16.477 1.00 0.00 ? 27 HIS A CG 1 ATOM 382 N ND1 . HIS A 1 27 ? -5.168 -2.160 -16.369 1.00 0.00 ? 27 HIS A ND1 1 ATOM 383 C CD2 . HIS A 1 27 ? -3.594 -2.728 -17.771 1.00 0.00 ? 27 HIS A CD2 1 ATOM 384 C CE1 . HIS A 1 27 ? -5.741 -2.345 -17.545 1.00 0.00 ? 27 HIS A CE1 1 ATOM 385 N NE2 . HIS A 1 27 ? -4.807 -2.690 -18.413 1.00 0.00 ? 27 HIS A NE2 1 ATOM 386 H H . HIS A 1 27 ? -1.606 0.357 -16.469 1.00 0.00 ? 27 HIS A H 1 ATOM 387 H HA . HIS A 1 27 ? -3.378 -0.203 -15.153 1.00 0.00 ? 27 HIS A HA 1 ATOM 388 H HB2 . HIS A 1 27 ? -1.963 -2.804 -15.579 1.00 0.00 ? 27 HIS A HB2 1 ATOM 389 H HB3 . HIS A 1 27 ? -3.326 -2.746 -14.466 1.00 0.00 ? 27 HIS A HB3 1 ATOM 390 H HD1 . HIS A 1 27 ? -5.640 -1.899 -15.551 1.00 0.00 ? 27 HIS A HD1 1 ATOM 391 H HD2 . HIS A 1 27 ? -2.641 -2.978 -18.216 1.00 0.00 ? 27 HIS A HD2 1 ATOM 392 H HE1 . HIS A 1 27 ? -6.793 -2.233 -17.761 1.00 0.00 ? 27 HIS A HE1 1 ATOM 393 N N . CYS A 1 28 ? -1.724 0.460 -13.073 1.00 0.00 ? 28 CYS A N 1 ATOM 394 C CA . CYS A 1 28 ? -1.335 0.688 -11.687 1.00 0.00 ? 28 CYS A CA 1 ATOM 395 C C . CYS A 1 28 ? -2.264 1.700 -11.021 1.00 0.00 ? 28 CYS A C 1 ATOM 396 O O . CYS A 1 28 ? -2.339 1.776 -9.794 1.00 0.00 ? 28 CYS A O 1 ATOM 397 C CB . CYS A 1 28 ? 0.111 1.182 -11.615 1.00 0.00 ? 28 CYS A CB 1 ATOM 398 S SG . CYS A 1 28 ? 1.029 0.584 -10.160 1.00 0.00 ? 28 CYS A SG 1 ATOM 399 H H . CYS A 1 28 ? -1.673 1.203 -13.712 1.00 0.00 ? 28 CYS A H 1 ATOM 400 H HA . CYS A 1 28 ? -1.412 -0.252 -11.162 1.00 0.00 ? 28 CYS A HA 1 ATOM 401 H HB2 . CYS A 1 28 ? 0.640 0.850 -12.496 1.00 0.00 ? 28 CYS A HB2 1 ATOM 402 H HB3 . CYS A 1 28 ? 0.113 2.262 -11.585 1.00 0.00 ? 28 CYS A HB3 1 ATOM 403 N N . PHE A 1 29 ? -2.970 2.474 -11.838 1.00 0.00 ? 29 PHE A N 1 ATOM 404 C CA . PHE A 1 29 ? -3.893 3.481 -11.329 1.00 0.00 ? 29 PHE A CA 1 ATOM 405 C C . PHE A 1 29 ? -5.324 3.175 -11.762 1.00 0.00 ? 29 PHE A C 1 ATOM 406 O O . PHE A 1 29 ? -6.283 3.583 -11.107 1.00 0.00 ? 29 PHE A O 1 ATOM 407 C CB . PHE A 1 29 ? -3.486 4.872 -11.821 1.00 0.00 ? 29 PHE A CB 1 ATOM 408 C CG . PHE A 1 29 ? -2.354 5.476 -11.040 1.00 0.00 ? 29 PHE A CG 1 ATOM 409 C CD1 . PHE A 1 29 ? -1.155 4.797 -10.895 1.00 0.00 ? 29 PHE A CD1 1 ATOM 410 C CD2 . PHE A 1 29 ? -2.490 6.723 -10.451 1.00 0.00 ? 29 PHE A CD2 1 ATOM 411 C CE1 . PHE A 1 29 ? -0.113 5.351 -10.176 1.00 0.00 ? 29 PHE A CE1 1 ATOM 412 C CE2 . PHE A 1 29 ? -1.451 7.282 -9.732 1.00 0.00 ? 29 PHE A CE2 1 ATOM 413 C CZ . PHE A 1 29 ? -0.260 6.595 -9.595 1.00 0.00 ? 29 PHE A CZ 1 ATOM 414 H H . PHE A 1 29 ? -2.867 2.365 -12.807 1.00 0.00 ? 29 PHE A H 1 ATOM 415 H HA . PHE A 1 29 ? -3.844 3.461 -10.252 1.00 0.00 ? 29 PHE A HA 1 ATOM 416 H HB2 . PHE A 1 29 ? -3.177 4.804 -12.854 1.00 0.00 ? 29 PHE A HB2 1 ATOM 417 H HB3 . PHE A 1 29 ? -4.335 5.535 -11.746 1.00 0.00 ? 29 PHE A HB3 1 ATOM 418 H HD1 . PHE A 1 29 ? -1.038 3.825 -11.350 1.00 0.00 ? 29 PHE A HD1 1 ATOM 419 H HD2 . PHE A 1 29 ? -3.421 7.261 -10.558 1.00 0.00 ? 29 PHE A HD2 1 ATOM 420 H HE1 . PHE A 1 29 ? 0.817 4.812 -10.070 1.00 0.00 ? 29 PHE A HE1 1 ATOM 421 H HE2 . PHE A 1 29 ? -1.570 8.255 -9.279 1.00 0.00 ? 29 PHE A HE2 1 ATOM 422 H HZ . PHE A 1 29 ? 0.553 7.030 -9.032 1.00 0.00 ? 29 PHE A HZ 1 ATOM 423 N N . GLY A 1 30 ? -5.460 2.454 -12.871 1.00 0.00 ? 30 GLY A N 1 ATOM 424 C CA . GLY A 1 30 ? -6.776 2.106 -13.373 1.00 0.00 ? 30 GLY A CA 1 ATOM 425 C C . GLY A 1 30 ? -7.345 3.168 -14.293 1.00 0.00 ? 30 GLY A C 1 ATOM 426 O O . GLY A 1 30 ? -8.562 3.324 -14.397 1.00 0.00 ? 30 GLY A O 1 ATOM 427 H H . GLY A 1 30 ? -4.660 2.156 -13.352 1.00 0.00 ? 30 GLY A H 1 ATOM 428 H HA2 . GLY A 1 30 ? -6.708 1.175 -13.915 1.00 0.00 ? 30 GLY A HA2 1 ATOM 429 H HA3 . GLY A 1 30 ? -7.446 1.976 -12.536 1.00 0.00 ? 30 GLY A HA3 1 ATOM 430 N N . VAL A 1 31 ? -6.463 3.903 -14.963 1.00 0.00 ? 31 VAL A N 1 ATOM 431 C CA . VAL A 1 31 ? -6.884 4.957 -15.879 1.00 0.00 ? 31 VAL A CA 1 ATOM 432 C C . VAL A 1 31 ? -6.789 4.495 -17.329 1.00 0.00 ? 31 VAL A C 1 ATOM 433 O O . VAL A 1 31 ? -7.613 4.866 -18.165 1.00 0.00 ? 31 VAL A O 1 ATOM 434 C CB . VAL A 1 31 ? -6.033 6.229 -15.700 1.00 0.00 ? 31 VAL A CB 1 ATOM 435 C CG1 . VAL A 1 31 ? -6.225 6.808 -14.307 1.00 0.00 ? 31 VAL A CG1 1 ATOM 436 C CG2 . VAL A 1 31 ? -4.566 5.929 -15.964 1.00 0.00 ? 31 VAL A CG2 1 ATOM 437 H H . VAL A 1 31 ? -5.506 3.732 -14.839 1.00 0.00 ? 31 VAL A H 1 ATOM 438 H HA . VAL A 1 31 ? -7.912 5.202 -15.656 1.00 0.00 ? 31 VAL A HA 1 ATOM 439 H HB . VAL A 1 31 ? -6.364 6.963 -16.420 1.00 0.00 ? 31 VAL A HB 1 ATOM 440 H HG11 . VAL A 1 31 ? -5.530 6.342 -13.625 1.00 0.00 ? 31 VAL A HG11 1 ATOM 441 H HG12 . VAL A 1 31 ? -6.048 7.873 -14.333 1.00 0.00 ? 31 VAL A HG12 1 ATOM 442 H HG13 . VAL A 1 31 ? -7.236 6.619 -13.975 1.00 0.00 ? 31 VAL A HG13 1 ATOM 443 H HG21 . VAL A 1 31 ? -4.438 5.632 -16.995 1.00 0.00 ? 31 VAL A HG21 1 ATOM 444 H HG22 . VAL A 1 31 ? -3.977 6.813 -15.768 1.00 0.00 ? 31 VAL A HG22 1 ATOM 445 H HG23 . VAL A 1 31 ? -4.239 5.128 -15.316 1.00 0.00 ? 31 VAL A HG23 1 ATOM 446 N N . LYS A 1 32 ? -5.779 3.682 -17.620 1.00 0.00 ? 32 LYS A N 1 ATOM 447 C CA . LYS A 1 32 ? -5.577 3.166 -18.969 1.00 0.00 ? 32 LYS A CA 1 ATOM 448 C C . LYS A 1 32 ? -6.806 2.403 -19.450 1.00 0.00 ? 32 LYS A C 1 ATOM 449 O O . LYS A 1 32 ? -7.527 1.801 -18.654 1.00 0.00 ? 32 LYS A O 1 ATOM 450 C CB . LYS A 1 32 ? -4.349 2.253 -19.009 1.00 0.00 ? 32 LYS A CB 1 ATOM 451 C CG . LYS A 1 32 ? -3.719 2.141 -20.386 1.00 0.00 ? 32 LYS A CG 1 ATOM 452 C CD . LYS A 1 32 ? -4.086 0.830 -21.061 1.00 0.00 ? 32 LYS A CD 1 ATOM 453 C CE . LYS A 1 32 ? -3.454 -0.358 -20.351 1.00 0.00 ? 32 LYS A CE 1 ATOM 454 N NZ . LYS A 1 32 ? -3.481 -1.586 -21.194 1.00 0.00 ? 32 LYS A NZ 1 ATOM 455 H H . LYS A 1 32 ? -5.155 3.421 -16.910 1.00 0.00 ? 32 LYS A H 1 ATOM 456 H HA . LYS A 1 32 ? -5.410 4.008 -19.624 1.00 0.00 ? 32 LYS A HA 1 ATOM 457 H HB2 . LYS A 1 32 ? -3.606 2.639 -18.326 1.00 0.00 ? 32 LYS A HB2 1 ATOM 458 H HB3 . LYS A 1 32 ? -4.641 1.264 -18.687 1.00 0.00 ? 32 LYS A HB3 1 ATOM 459 H HG2 . LYS A 1 32 ? -4.067 2.958 -21.000 1.00 0.00 ? 32 LYS A HG2 1 ATOM 460 H HG3 . LYS A 1 32 ? -2.644 2.196 -20.286 1.00 0.00 ? 32 LYS A HG3 1 ATOM 461 H HD2 . LYS A 1 32 ? -5.159 0.714 -21.046 1.00 0.00 ? 32 LYS A HD2 1 ATOM 462 H HD3 . LYS A 1 32 ? -3.738 0.852 -22.085 1.00 0.00 ? 32 LYS A HD3 1 ATOM 463 H HE2 . LYS A 1 32 ? -2.430 -0.117 -20.114 1.00 0.00 ? 32 LYS A HE2 1 ATOM 464 H HE3 . LYS A 1 32 ? -4.000 -0.546 -19.438 1.00 0.00 ? 32 LYS A HE3 1 ATOM 465 H HZ1 . LYS A 1 32 ? -2.533 -2.011 -21.236 1.00 0.00 ? 32 LYS A HZ1 1 ATOM 466 H HZ2 . LYS A 1 32 ? -3.788 -1.350 -22.159 1.00 0.00 ? 32 LYS A HZ2 1 ATOM 467 H HZ3 . LYS A 1 32 ? -4.143 -2.281 -20.792 1.00 0.00 ? 32 LYS A HZ3 1 ATOM 468 N N . HIS A 1 33 ? -7.040 2.431 -20.759 1.00 0.00 ? 33 HIS A N 1 ATOM 469 C CA . HIS A 1 33 ? -8.182 1.739 -21.346 1.00 0.00 ? 33 HIS A CA 1 ATOM 470 C C . HIS A 1 33 ? -7.919 1.403 -22.811 1.00 0.00 ? 33 HIS A C 1 ATOM 471 O O . HIS A 1 33 ? -7.707 2.294 -23.634 1.00 0.00 ? 33 HIS A O 1 ATOM 472 C CB . HIS A 1 33 ? -9.441 2.598 -21.226 1.00 0.00 ? 33 HIS A CB 1 ATOM 473 C CG . HIS A 1 33 ? -10.706 1.848 -21.512 1.00 0.00 ? 33 HIS A CG 1 ATOM 474 N ND1 . HIS A 1 33 ? -11.909 2.472 -21.770 1.00 0.00 ? 33 HIS A ND1 1 ATOM 475 C CD2 . HIS A 1 33 ? -10.951 0.519 -21.581 1.00 0.00 ? 33 HIS A CD2 1 ATOM 476 C CE1 . HIS A 1 33 ? -12.839 1.558 -21.983 1.00 0.00 ? 33 HIS A CE1 1 ATOM 477 N NE2 . HIS A 1 33 ? -12.284 0.365 -21.875 1.00 0.00 ? 33 HIS A NE2 1 ATOM 478 H H . HIS A 1 33 ? -6.429 2.927 -21.342 1.00 0.00 ? 33 HIS A H 1 ATOM 479 H HA . HIS A 1 33 ? -8.330 0.820 -20.800 1.00 0.00 ? 33 HIS A HA 1 ATOM 480 H HB2 . HIS A 1 33 ? -9.508 2.989 -20.222 1.00 0.00 ? 33 HIS A HB2 1 ATOM 481 H HB3 . HIS A 1 33 ? -9.377 3.420 -21.924 1.00 0.00 ? 33 HIS A HB3 1 ATOM 482 H HD1 . HIS A 1 33 ? -12.058 3.440 -21.791 1.00 0.00 ? 33 HIS A HD1 1 ATOM 483 H HD2 . HIS A 1 33 ? -10.232 -0.275 -21.432 1.00 0.00 ? 33 HIS A HD2 1 ATOM 484 H HE1 . HIS A 1 33 ? -13.877 1.754 -22.209 1.00 0.00 ? 33 HIS A HE1 1 ATOM 485 N N . SER A 1 34 ? -7.933 0.113 -23.129 1.00 0.00 ? 34 SER A N 1 ATOM 486 C CA . SER A 1 34 ? -7.691 -0.341 -24.494 1.00 0.00 ? 34 SER A CA 1 ATOM 487 C C . SER A 1 34 ? -8.795 -1.288 -24.955 1.00 0.00 ? 34 SER A C 1 ATOM 488 O O . SER A 1 34 ? -9.623 -1.729 -24.158 1.00 0.00 ? 34 SER A O 1 ATOM 489 C CB . SER A 1 34 ? -6.332 -1.038 -24.589 1.00 0.00 ? 34 SER A CB 1 ATOM 490 O OG . SER A 1 34 ? -6.318 -2.233 -23.828 1.00 0.00 ? 34 SER A OG 1 ATOM 491 H H . SER A 1 34 ? -8.107 -0.550 -22.428 1.00 0.00 ? 34 SER A H 1 ATOM 492 H HA . SER A 1 34 ? -7.686 0.528 -25.136 1.00 0.00 ? 34 SER A HA 1 ATOM 493 H HB2 . SER A 1 34 ? -6.126 -1.280 -25.620 1.00 0.00 ? 34 SER A HB2 1 ATOM 494 H HB3 . SER A 1 34 ? -5.565 -0.376 -24.214 1.00 0.00 ? 34 SER A HB3 1 ATOM 495 H HG . SER A 1 34 ? -5.419 -2.565 -23.771 1.00 0.00 ? 34 SER A HG 1 ATOM 496 N N . SER A 1 35 ? -8.799 -1.596 -26.248 1.00 0.00 ? 35 SER A N 1 ATOM 497 C CA . SER A 1 35 ? -9.803 -2.488 -26.817 1.00 0.00 ? 35 SER A CA 1 ATOM 498 C C . SER A 1 35 ? -9.350 -3.942 -26.729 1.00 0.00 ? 35 SER A C 1 ATOM 499 O O . SER A 1 35 ? -10.150 -4.838 -26.466 1.00 0.00 ? 35 SER A O 1 ATOM 500 C CB . SER A 1 35 ? -10.078 -2.115 -28.276 1.00 0.00 ? 35 SER A CB 1 ATOM 501 O OG . SER A 1 35 ? -10.638 -3.207 -28.984 1.00 0.00 ? 35 SER A OG 1 ATOM 502 H H . SER A 1 35 ? -8.112 -1.212 -26.833 1.00 0.00 ? 35 SER A H 1 ATOM 503 H HA . SER A 1 35 ? -10.712 -2.371 -26.247 1.00 0.00 ? 35 SER A HA 1 ATOM 504 H HB2 . SER A 1 35 ? -10.769 -1.287 -28.309 1.00 0.00 ? 35 SER A HB2 1 ATOM 505 H HB3 . SER A 1 35 ? -9.151 -1.830 -28.752 1.00 0.00 ? 35 SER A HB3 1 ATOM 506 H HG . SER A 1 35 ? -11.438 -2.921 -29.432 1.00 0.00 ? 35 SER A HG 1 ATOM 507 N N . GLY A 1 36 ? -8.059 -4.168 -26.952 1.00 0.00 ? 36 GLY A N 1 ATOM 508 C CA . GLY A 1 36 ? -7.520 -5.515 -26.893 1.00 0.00 ? 36 GLY A CA 1 ATOM 509 C C . GLY A 1 36 ? -7.108 -5.914 -25.490 1.00 0.00 ? 36 GLY A C 1 ATOM 510 O O . GLY A 1 36 ? -7.954 -6.102 -24.617 1.00 0.00 ? 36 GLY A O 1 ATOM 511 H H . GLY A 1 36 ? -7.467 -3.414 -27.157 1.00 0.00 ? 36 GLY A H 1 ATOM 512 H HA2 . GLY A 1 36 ? -8.270 -6.206 -27.247 1.00 0.00 ? 36 GLY A HA2 1 ATOM 513 H HA3 . GLY A 1 36 ? -6.657 -5.573 -27.540 1.00 0.00 ? 36 GLY A HA3 1 ATOM 514 N N . GLY A 1 37 ? -5.802 -6.045 -25.273 1.00 0.00 ? 37 GLY A N 1 ATOM 515 C CA . GLY A 1 37 ? -5.302 -6.425 -23.965 1.00 0.00 ? 37 GLY A CA 1 ATOM 516 C C . GLY A 1 37 ? -4.086 -5.620 -23.553 1.00 0.00 ? 37 GLY A C 1 ATOM 517 O O . GLY A 1 37 ? -4.028 -5.094 -22.442 1.00 0.00 ? 37 GLY A O 1 ATOM 518 H H . GLY A 1 37 ? -5.174 -5.881 -26.008 1.00 0.00 ? 37 GLY A H 1 ATOM 519 H HA2 . GLY A 1 37 ? -6.084 -6.275 -23.235 1.00 0.00 ? 37 GLY A HA2 1 ATOM 520 H HA3 . GLY A 1 37 ? -5.037 -7.472 -23.984 1.00 0.00 ? 37 GLY A HA3 1 ATOM 521 N N . GLY A 1 38 ? -3.109 -5.525 -24.450 1.00 0.00 ? 38 GLY A N 1 ATOM 522 C CA . GLY A 1 38 ? -1.900 -4.779 -24.155 1.00 0.00 ? 38 GLY A CA 1 ATOM 523 C C . GLY A 1 38 ? -1.224 -5.251 -22.883 1.00 0.00 ? 38 GLY A C 1 ATOM 524 O O . GLY A 1 38 ? -1.339 -6.417 -22.506 1.00 0.00 ? 38 GLY A O 1 ATOM 525 H H . GLY A 1 38 ? -3.210 -5.966 -25.320 1.00 0.00 ? 38 GLY A H 1 ATOM 526 H HA2 . GLY A 1 38 ? -1.211 -4.889 -24.979 1.00 0.00 ? 38 GLY A HA2 1 ATOM 527 H HA3 . GLY A 1 38 ? -2.153 -3.734 -24.047 1.00 0.00 ? 38 GLY A HA3 1 ATOM 528 N N . GLY A 1 39 ? -0.514 -4.343 -22.220 1.00 0.00 ? 39 GLY A N 1 ATOM 529 C CA . GLY A 1 39 ? 0.175 -4.693 -20.991 1.00 0.00 ? 39 GLY A CA 1 ATOM 530 C C . GLY A 1 39 ? 1.134 -5.853 -21.174 1.00 0.00 ? 39 GLY A C 1 ATOM 531 O O . GLY A 1 39 ? 1.113 -6.812 -20.402 1.00 0.00 ? 39 GLY A O 1 ATOM 532 H H . GLY A 1 39 ? -0.457 -3.429 -22.567 1.00 0.00 ? 39 GLY A H 1 ATOM 533 H HA2 . GLY A 1 39 ? 0.728 -3.833 -20.644 1.00 0.00 ? 39 GLY A HA2 1 ATOM 534 H HA3 . GLY A 1 39 ? -0.558 -4.962 -20.245 1.00 0.00 ? 39 GLY A HA3 1 ATOM 535 N N . SER A 1 40 ? 1.975 -5.767 -22.199 1.00 0.00 ? 40 SER A N 1 ATOM 536 C CA . SER A 1 40 ? 2.942 -6.820 -22.484 1.00 0.00 ? 40 SER A CA 1 ATOM 537 C C . SER A 1 40 ? 4.328 -6.232 -22.735 1.00 0.00 ? 40 SER A C 1 ATOM 538 O O . SER A 1 40 ? 4.475 -5.028 -22.945 1.00 0.00 ? 40 SER A O 1 ATOM 539 C CB . SER A 1 40 ? 2.495 -7.637 -23.698 1.00 0.00 ? 40 SER A CB 1 ATOM 540 O OG . SER A 1 40 ? 2.955 -8.975 -23.610 1.00 0.00 ? 40 SER A OG 1 ATOM 541 H H . SER A 1 40 ? 1.943 -4.977 -22.779 1.00 0.00 ? 40 SER A H 1 ATOM 542 H HA . SER A 1 40 ? 2.990 -7.469 -21.622 1.00 0.00 ? 40 SER A HA 1 ATOM 543 H HB2 . SER A 1 40 ? 1.417 -7.642 -23.749 1.00 0.00 ? 40 SER A HB2 1 ATOM 544 H HB3 . SER A 1 40 ? 2.896 -7.190 -24.597 1.00 0.00 ? 40 SER A HB3 1 ATOM 545 H HG . SER A 1 40 ? 2.811 -9.305 -22.720 1.00 0.00 ? 40 SER A HG 1 ATOM 546 N N . TYR A 1 41 ? 5.341 -7.091 -22.710 1.00 0.00 ? 41 TYR A N 1 ATOM 547 C CA . TYR A 1 41 ? 6.715 -6.658 -22.932 1.00 0.00 ? 41 TYR A CA 1 ATOM 548 C C . TYR A 1 41 ? 7.472 -7.666 -23.792 1.00 0.00 ? 41 TYR A C 1 ATOM 549 O O . TYR A 1 41 ? 7.090 -8.833 -23.883 1.00 0.00 ? 41 TYR A O 1 ATOM 550 C CB . TYR A 1 41 ? 7.435 -6.470 -21.595 1.00 0.00 ? 41 TYR A CB 1 ATOM 551 C CG . TYR A 1 41 ? 8.512 -5.410 -21.631 1.00 0.00 ? 41 TYR A CG 1 ATOM 552 C CD1 . TYR A 1 41 ? 9.820 -5.732 -21.971 1.00 0.00 ? 41 TYR A CD1 1 ATOM 553 C CD2 . TYR A 1 41 ? 8.222 -4.086 -21.324 1.00 0.00 ? 41 TYR A CD2 1 ATOM 554 C CE1 . TYR A 1 41 ? 10.808 -4.766 -22.004 1.00 0.00 ? 41 TYR A CE1 1 ATOM 555 C CE2 . TYR A 1 41 ? 9.203 -3.114 -21.356 1.00 0.00 ? 41 TYR A CE2 1 ATOM 556 C CZ . TYR A 1 41 ? 10.494 -3.459 -21.697 1.00 0.00 ? 41 TYR A CZ 1 ATOM 557 O OH . TYR A 1 41 ? 11.474 -2.494 -21.728 1.00 0.00 ? 41 TYR A OH 1 ATOM 558 H H . TYR A 1 41 ? 5.161 -8.039 -22.537 1.00 0.00 ? 41 TYR A H 1 ATOM 559 H HA . TYR A 1 41 ? 6.685 -5.711 -23.449 1.00 0.00 ? 41 TYR A HA 1 ATOM 560 H HB2 . TYR A 1 41 ? 6.715 -6.186 -20.843 1.00 0.00 ? 41 TYR A HB2 1 ATOM 561 H HB3 . TYR A 1 41 ? 7.897 -7.404 -21.309 1.00 0.00 ? 41 TYR A HB3 1 ATOM 562 H HD1 . TYR A 1 41 ? 10.063 -6.757 -22.211 1.00 0.00 ? 41 TYR A HD1 1 ATOM 563 H HD2 . TYR A 1 41 ? 7.209 -3.820 -21.057 1.00 0.00 ? 41 TYR A HD2 1 ATOM 564 H HE1 . TYR A 1 41 ? 11.819 -5.036 -22.270 1.00 0.00 ? 41 TYR A HE1 1 ATOM 565 H HE2 . TYR A 1 41 ? 8.957 -2.090 -21.115 1.00 0.00 ? 41 TYR A HE2 1 ATOM 566 H HH . TYR A 1 41 ? 12.283 -2.846 -21.349 1.00 0.00 ? 41 TYR A HH 1 ATOM 567 N N . HIS A 1 42 ? 8.549 -7.206 -24.422 1.00 0.00 ? 42 HIS A N 1 ATOM 568 C CA . HIS A 1 42 ? 9.361 -8.066 -25.275 1.00 0.00 ? 42 HIS A CA 1 ATOM 569 C C . HIS A 1 42 ? 10.539 -8.645 -24.497 1.00 0.00 ? 42 HIS A C 1 ATOM 570 O O . HIS A 1 42 ? 11.648 -8.755 -25.020 1.00 0.00 ? 42 HIS A O 1 ATOM 571 C CB . HIS A 1 42 ? 9.870 -7.284 -26.486 1.00 0.00 ? 42 HIS A CB 1 ATOM 572 C CG . HIS A 1 42 ? 8.853 -7.140 -27.576 1.00 0.00 ? 42 HIS A CG 1 ATOM 573 N ND1 . HIS A 1 42 ? 9.160 -6.667 -28.834 1.00 0.00 ? 42 HIS A ND1 1 ATOM 574 C CD2 . HIS A 1 42 ? 7.527 -7.412 -27.592 1.00 0.00 ? 42 HIS A CD2 1 ATOM 575 C CE1 . HIS A 1 42 ? 8.067 -6.652 -29.576 1.00 0.00 ? 42 HIS A CE1 1 ATOM 576 N NE2 . HIS A 1 42 ? 7.062 -7.100 -28.846 1.00 0.00 ? 42 HIS A NE2 1 ATOM 577 H H . HIS A 1 42 ? 8.802 -6.266 -24.310 1.00 0.00 ? 42 HIS A H 1 ATOM 578 H HA . HIS A 1 42 ? 8.738 -8.878 -25.617 1.00 0.00 ? 42 HIS A HA 1 ATOM 579 H HB2 . HIS A 1 42 ? 10.160 -6.293 -26.171 1.00 0.00 ? 42 HIS A HB2 1 ATOM 580 H HB3 . HIS A 1 42 ? 10.730 -7.792 -26.899 1.00 0.00 ? 42 HIS A HB3 1 ATOM 581 H HD1 . HIS A 1 42 ? 10.047 -6.382 -29.138 1.00 0.00 ? 42 HIS A HD1 1 ATOM 582 H HD2 . HIS A 1 42 ? 6.942 -7.802 -26.770 1.00 0.00 ? 42 HIS A HD2 1 ATOM 583 H HE1 . HIS A 1 42 ? 8.005 -6.330 -30.605 1.00 0.00 ? 42 HIS A HE1 1 ATOM 584 N N . CYS A 1 43 ? 10.291 -9.014 -23.245 1.00 0.00 ? 43 CYS A N 1 ATOM 585 C CA . CYS A 1 43 ? 11.330 -9.581 -22.394 1.00 0.00 ? 43 CYS A CA 1 ATOM 586 C C . CYS A 1 43 ? 11.804 -10.926 -22.937 1.00 0.00 ? 43 CYS A C 1 ATOM 587 O O . CYS A 1 43 ? 11.048 -11.895 -22.888 1.00 0.00 ? 43 CYS A O 1 ATOM 588 C CB . CYS A 1 43 ? 10.812 -9.749 -20.964 1.00 0.00 ? 43 CYS A CB 1 ATOM 589 S SG . CYS A 1 43 ? 12.043 -10.424 -19.802 1.00 0.00 ? 43 CYS A SG 1 ATOM 590 H H . CYS A 1 43 ? 9.386 -8.902 -22.883 1.00 0.00 ? 43 CYS A H 1 ATOM 591 H HA . CYS A 1 43 ? 12.164 -8.896 -22.387 1.00 0.00 ? 43 CYS A HA 1 ATOM 592 H HB2 . CYS A 1 43 ? 10.500 -8.786 -20.587 1.00 0.00 ? 43 CYS A HB2 1 ATOM 593 H HB3 . CYS A 1 43 ? 9.965 -10.419 -20.973 1.00 0.00 ? 43 CYS A HB3 1 HETATM 594 C C1 . NAG B 2 . ? 6.308 19.069 -20.400 1.00 0.00 ? 101 NAG A C1 1 HETATM 595 C C2 . NAG B 2 . ? 6.734 20.122 -19.376 1.00 0.00 ? 101 NAG A C2 1 HETATM 596 C C3 . NAG B 2 . ? 7.284 21.347 -20.115 1.00 0.00 ? 101 NAG A C3 1 HETATM 597 C C4 . NAG B 2 . ? 8.384 20.885 -21.077 1.00 0.00 ? 101 NAG A C4 1 HETATM 598 C C5 . NAG B 2 . ? 7.833 19.774 -21.972 1.00 0.00 ? 101 NAG A C5 1 HETATM 599 C C6 . NAG B 2 . ? 8.917 19.331 -22.957 1.00 0.00 ? 101 NAG A C6 1 HETATM 600 C C7 . NAG B 2 . ? 5.296 19.856 -17.427 1.00 0.00 ? 101 NAG A C7 1 HETATM 601 C C8 . NAG B 2 . ? 4.108 20.262 -16.595 1.00 0.00 ? 101 NAG A C8 1 HETATM 602 N N2 . NAG B 2 . ? 5.579 20.517 -18.567 1.00 0.00 ? 101 NAG A N2 1 HETATM 603 O O3 . NAG B 2 . ? 7.826 22.278 -19.178 1.00 0.00 ? 101 NAG A O3 1 HETATM 604 O O4 . NAG B 2 . ? 8.809 21.984 -21.885 1.00 0.00 ? 101 NAG A O4 1 HETATM 605 O O5 . NAG B 2 . ? 7.434 18.663 -21.173 1.00 0.00 ? 101 NAG A O5 1 HETATM 606 O O6 . NAG B 2 . ? 8.402 18.297 -23.799 1.00 0.00 ? 101 NAG A O6 1 HETATM 607 O O7 . NAG B 2 . ? 5.999 18.935 -17.071 1.00 0.00 ? 101 NAG A O7 1 HETATM 608 H H1 . NAG B 2 . ? 5.546 19.499 -21.067 1.00 0.00 ? 101 NAG A H1 1 HETATM 609 H H2 . NAG B 2 . ? 7.511 19.705 -18.719 1.00 0.00 ? 101 NAG A H2 1 HETATM 610 H H3 . NAG B 2 . ? 6.474 21.837 -20.675 1.00 0.00 ? 101 NAG A H3 1 HETATM 611 H H4 . NAG B 2 . ? 9.243 20.508 -20.502 1.00 0.00 ? 101 NAG A H4 1 HETATM 612 H H5 . NAG B 2 . ? 6.961 20.153 -22.527 1.00 0.00 ? 101 NAG A H5 1 HETATM 613 H H61 . NAG B 2 . ? 9.246 20.186 -23.567 1.00 0.00 ? 101 NAG A H61 1 HETATM 614 H H62 . NAG B 2 . ? 9.799 18.968 -22.409 1.00 0.00 ? 101 NAG A H62 1 HETATM 615 H H81 . NAG B 2 . ? 4.045 21.359 -16.555 1.00 0.00 ? 101 NAG A H81 1 HETATM 616 H H82 . NAG B 2 . ? 3.189 19.859 -17.046 1.00 0.00 ? 101 NAG A H82 1 HETATM 617 H H83 . NAG B 2 . ? 4.220 19.864 -15.576 1.00 0.00 ? 101 NAG A H83 1 HETATM 618 H HN2 . NAG B 2 . ? 5.000 21.276 -18.861 1.00 0.00 ? 101 NAG A HN2 1 HETATM 619 H HO3 . NAG B 2 . ? 8.185 23.073 -19.667 1.00 0.00 ? 101 NAG A HO3 1 HETATM 620 H HO4 . NAG B 2 . ? 9.771 21.866 -22.131 1.00 0.00 ? 101 NAG A HO4 1 HETATM 621 H HO6 . NAG B 2 . ? 7.783 17.714 -23.271 1.00 0.00 ? 101 NAG A HO6 1 HETATM 622 C C1 . NAG C 2 . ? 12.856 -10.857 -18.038 1.00 0.00 ? 102 NAG A C1 1 HETATM 623 C C2 . NAG C 2 . ? 13.645 -11.557 -16.931 1.00 0.00 ? 102 NAG A C2 1 HETATM 624 C C3 . NAG C 2 . ? 13.128 -11.082 -15.569 1.00 0.00 ? 102 NAG A C3 1 HETATM 625 C C4 . NAG C 2 . ? 13.171 -9.550 -15.535 1.00 0.00 ? 102 NAG A C4 1 HETATM 626 C C5 . NAG C 2 . ? 12.417 -9.002 -16.749 1.00 0.00 ? 102 NAG A C5 1 HETATM 627 C C6 . NAG C 2 . ? 12.427 -7.473 -16.704 1.00 0.00 ? 102 NAG A C6 1 HETATM 628 C C7 . NAG C 2 . ? 14.321 -13.733 -17.793 1.00 0.00 ? 102 NAG A C7 1 HETATM 629 C C8 . NAG C 2 . ? 14.140 -15.224 -17.909 1.00 0.00 ? 102 NAG A C8 1 HETATM 630 N N2 . NAG C 2 . ? 13.469 -13.006 -17.043 1.00 0.00 ? 102 NAG A N2 1 HETATM 631 O O3 . NAG C 2 . ? 13.950 -11.607 -14.526 1.00 0.00 ? 102 NAG A O3 1 HETATM 632 O O4 . NAG C 2 . ? 12.554 -9.078 -14.337 1.00 0.00 ? 102 NAG A O4 1 HETATM 633 O O5 . NAG C 2 . ? 13.045 -9.447 -17.949 1.00 0.00 ? 102 NAG A O5 1 HETATM 634 O O6 . NAG C 2 . ? 11.719 -6.958 -17.834 1.00 0.00 ? 102 NAG A O6 1 HETATM 635 O O7 . NAG C 2 . ? 15.233 -13.187 -18.375 1.00 0.00 ? 102 NAG A O7 1 HETATM 636 H H1 . NAG C 2 . ? 11.786 -11.088 -17.923 1.00 0.00 ? 102 NAG A H1 1 HETATM 637 H H2 . NAG C 2 . ? 14.714 -11.313 -17.028 1.00 0.00 ? 102 NAG A H2 1 HETATM 638 H H3 . NAG C 2 . ? 12.097 -11.435 -15.420 1.00 0.00 ? 102 NAG A H3 1 HETATM 639 H H4 . NAG C 2 . ? 14.216 -9.209 -15.562 1.00 0.00 ? 102 NAG A H4 1 HETATM 640 H H5 . NAG C 2 . ? 11.379 -9.366 -16.727 1.00 0.00 ? 102 NAG A H5 1 HETATM 641 H H61 . NAG C 2 . ? 11.961 -7.118 -15.773 1.00 0.00 ? 102 NAG A H61 1 HETATM 642 H H62 . NAG C 2 . ? 13.463 -7.102 -16.708 1.00 0.00 ? 102 NAG A H62 1 HETATM 643 H H81 . NAG C 2 . ? 14.001 -15.496 -18.965 1.00 0.00 ? 102 NAG A H81 1 HETATM 644 H H82 . NAG C 2 . ? 15.031 -15.734 -17.514 1.00 0.00 ? 102 NAG A H82 1 HETATM 645 H H83 . NAG C 2 . ? 13.256 -15.533 -17.331 1.00 0.00 ? 102 NAG A H83 1 HETATM 646 H HN2 . NAG C 2 . ? 12.717 -13.456 -16.563 1.00 0.00 ? 102 NAG A HN2 1 HETATM 647 H HO3 . NAG C 2 . ? 13.609 -11.292 -13.640 1.00 0.00 ? 102 NAG A HO3 1 HETATM 648 H HO4 . NAG C 2 . ? 12.977 -8.214 -14.061 1.00 0.00 ? 102 NAG A HO4 1 HETATM 649 H HO6 . NAG C 2 . ? 11.883 -7.546 -18.627 1.00 0.00 ? 102 NAG A HO6 1 ATOM 650 N N . LYS A 1 1 ? 2.212 -1.711 -3.582 1.00 0.00 ? 1 LYS A N 2 ATOM 651 C CA . LYS A 1 1 ? 2.643 -1.268 -4.902 1.00 0.00 ? 1 LYS A CA 2 ATOM 652 C C . LYS A 1 1 ? 4.165 -1.196 -4.982 1.00 0.00 ? 1 LYS A C 2 ATOM 653 O O . LYS A 1 1 ? 4.861 -1.133 -3.968 1.00 0.00 ? 1 LYS A O 2 ATOM 654 C CB . LYS A 1 1 ? 2.040 0.101 -5.226 1.00 0.00 ? 1 LYS A CB 2 ATOM 655 C CG . LYS A 1 1 ? 0.660 0.024 -5.855 1.00 0.00 ? 1 LYS A CG 2 ATOM 656 C CD . LYS A 1 1 ? -0.129 1.303 -5.628 1.00 0.00 ? 1 LYS A CD 2 ATOM 657 C CE . LYS A 1 1 ? -1.429 1.303 -6.417 1.00 0.00 ? 1 LYS A CE 2 ATOM 658 N NZ . LYS A 1 1 ? -2.546 0.687 -5.648 1.00 0.00 ? 1 LYS A NZ 2 ATOM 659 H H1 . LYS A 1 1 ? 2.888 -1.954 -2.915 1.00 0.00 ? 1 LYS A H1 2 ATOM 660 H HA . LYS A 1 1 ? 2.290 -1.987 -5.626 1.00 0.00 ? 1 LYS A HA 2 ATOM 661 H HB2 . LYS A 1 1 ? 1.964 0.673 -4.312 1.00 0.00 ? 1 LYS A HB2 2 ATOM 662 H HB3 . LYS A 1 1 ? 2.696 0.618 -5.911 1.00 0.00 ? 1 LYS A HB3 2 ATOM 663 H HG2 . LYS A 1 1 ? 0.767 -0.135 -6.918 1.00 0.00 ? 1 LYS A HG2 2 ATOM 664 H HG3 . LYS A 1 1 ? 0.120 -0.804 -5.418 1.00 0.00 ? 1 LYS A HG3 2 ATOM 665 H HD2 . LYS A 1 1 ? -0.360 1.391 -4.576 1.00 0.00 ? 1 LYS A HD2 2 ATOM 666 H HD3 . LYS A 1 1 ? 0.471 2.146 -5.938 1.00 0.00 ? 1 LYS A HD3 2 ATOM 667 H HE2 . LYS A 1 1 ? -1.689 2.323 -6.657 1.00 0.00 ? 1 LYS A HE2 2 ATOM 668 H HE3 . LYS A 1 1 ? -1.281 0.746 -7.330 1.00 0.00 ? 1 LYS A HE3 2 ATOM 669 H HZ1 . LYS A 1 1 ? -2.661 1.170 -4.735 1.00 0.00 ? 1 LYS A HZ1 2 ATOM 670 H HZ2 . LYS A 1 1 ? -2.345 -0.319 -5.473 1.00 0.00 ? 1 LYS A HZ2 2 ATOM 671 H HZ3 . LYS A 1 1 ? -3.434 0.763 -6.184 1.00 0.00 ? 1 LYS A HZ3 2 ATOM 672 N N . PRO A 1 2 ? 4.695 -1.204 -6.214 1.00 0.00 ? 2 PRO A N 2 ATOM 673 C CA . PRO A 1 2 ? 6.139 -1.138 -6.455 1.00 0.00 ? 2 PRO A CA 2 ATOM 674 C C . PRO A 1 2 ? 6.723 0.226 -6.106 1.00 0.00 ? 2 PRO A C 2 ATOM 675 O O . PRO A 1 2 ? 6.053 1.063 -5.501 1.00 0.00 ? 2 PRO A O 2 ATOM 676 C CB . PRO A 1 2 ? 6.261 -1.404 -7.957 1.00 0.00 ? 2 PRO A CB 2 ATOM 677 C CG . PRO A 1 2 ? 4.951 -0.978 -8.525 1.00 0.00 ? 2 PRO A CG 2 ATOM 678 C CD . PRO A 1 2 ? 3.925 -1.277 -7.467 1.00 0.00 ? 2 PRO A CD 2 ATOM 679 H HA . PRO A 1 2 ? 6.668 -1.905 -5.908 1.00 0.00 ? 2 PRO A HA 2 ATOM 680 H HB2 . PRO A 1 2 ? 7.076 -0.822 -8.363 1.00 0.00 ? 2 PRO A HB2 2 ATOM 681 H HB3 . PRO A 1 2 ? 6.442 -2.455 -8.127 1.00 0.00 ? 2 PRO A HB3 2 ATOM 682 H HG2 . PRO A 1 2 ? 4.970 0.079 -8.740 1.00 0.00 ? 2 PRO A HG2 2 ATOM 683 H HG3 . PRO A 1 2 ? 4.739 -1.541 -9.421 1.00 0.00 ? 2 PRO A HG3 2 ATOM 684 H HD2 . PRO A 1 2 ? 3.140 -0.535 -7.482 1.00 0.00 ? 2 PRO A HD2 2 ATOM 685 H HD3 . PRO A 1 2 ? 3.514 -2.266 -7.609 1.00 0.00 ? 2 PRO A HD3 2 ATOM 686 N N . ALA A 1 3 ? 7.976 0.445 -6.492 1.00 0.00 ? 3 ALA A N 2 ATOM 687 C CA . ALA A 1 3 ? 8.650 1.709 -6.222 1.00 0.00 ? 3 ALA A CA 2 ATOM 688 C C . ALA A 1 3 ? 8.424 2.704 -7.356 1.00 0.00 ? 3 ALA A C 2 ATOM 689 O O . ALA A 1 3 ? 9.076 3.746 -7.418 1.00 0.00 ? 3 ALA A O 2 ATOM 690 C CB . ALA A 1 3 ? 10.138 1.479 -6.007 1.00 0.00 ? 3 ALA A CB 2 ATOM 691 H H . ALA A 1 3 ? 8.459 -0.261 -6.971 1.00 0.00 ? 3 ALA A H 2 ATOM 692 H HA . ALA A 1 3 ? 8.238 2.118 -5.311 1.00 0.00 ? 3 ALA A HA 2 ATOM 693 H HB1 . ALA A 1 3 ? 10.590 2.384 -5.629 1.00 0.00 ? 3 ALA A HB1 2 ATOM 694 H HB2 . ALA A 1 3 ? 10.279 0.681 -5.294 1.00 0.00 ? 3 ALA A HB2 2 ATOM 695 H HB3 . ALA A 1 3 ? 10.600 1.210 -6.945 1.00 0.00 ? 3 ALA A HB3 2 ATOM 696 N N . TRP A 1 4 ? 7.500 2.374 -8.251 1.00 0.00 ? 4 TRP A N 2 ATOM 697 C CA . TRP A 1 4 ? 7.190 3.239 -9.383 1.00 0.00 ? 4 TRP A CA 2 ATOM 698 C C . TRP A 1 4 ? 5.891 4.001 -9.147 1.00 0.00 ? 4 TRP A C 2 ATOM 699 O O . TRP A 1 4 ? 5.821 5.211 -9.365 1.00 0.00 ? 4 TRP A O 2 ATOM 700 C CB . TRP A 1 4 ? 7.086 2.415 -10.668 1.00 0.00 ? 4 TRP A CB 2 ATOM 701 C CG . TRP A 1 4 ? 7.803 1.101 -10.590 1.00 0.00 ? 4 TRP A CG 2 ATOM 702 C CD1 . TRP A 1 4 ? 9.080 0.889 -10.156 1.00 0.00 ? 4 TRP A CD1 2 ATOM 703 C CD2 . TRP A 1 4 ? 7.283 -0.182 -10.958 1.00 0.00 ? 4 TRP A CD2 2 ATOM 704 N NE1 . TRP A 1 4 ? 9.387 -0.449 -10.233 1.00 0.00 ? 4 TRP A NE1 2 ATOM 705 C CE2 . TRP A 1 4 ? 8.301 -1.127 -10.720 1.00 0.00 ? 4 TRP A CE2 2 ATOM 706 C CE3 . TRP A 1 4 ? 6.058 -0.625 -11.462 1.00 0.00 ? 4 TRP A CE3 2 ATOM 707 C CZ2 . TRP A 1 4 ? 8.128 -2.485 -10.972 1.00 0.00 ? 4 TRP A CZ2 2 ATOM 708 C CZ3 . TRP A 1 4 ? 5.888 -1.973 -11.712 1.00 0.00 ? 4 TRP A CZ3 2 ATOM 709 C CH2 . TRP A 1 4 ? 6.918 -2.891 -11.466 1.00 0.00 ? 4 TRP A CH2 2 ATOM 710 H H . TRP A 1 4 ? 7.014 1.529 -8.148 1.00 0.00 ? 4 TRP A H 2 ATOM 711 H HA . TRP A 1 4 ? 7.997 3.950 -9.487 1.00 0.00 ? 4 TRP A HA 2 ATOM 712 H HB2 . TRP A 1 4 ? 6.046 2.215 -10.876 1.00 0.00 ? 4 TRP A HB2 2 ATOM 713 H HB3 . TRP A 1 4 ? 7.511 2.979 -11.484 1.00 0.00 ? 4 TRP A HB3 2 ATOM 714 H HD1 . TRP A 1 4 ? 9.742 1.668 -9.810 1.00 0.00 ? 4 TRP A HD1 2 ATOM 715 H HE1 . TRP A 1 4 ? 10.243 -0.851 -9.978 1.00 0.00 ? 4 TRP A HE1 2 ATOM 716 H HE3 . TRP A 1 4 ? 5.252 0.067 -11.658 1.00 0.00 ? 4 TRP A HE3 2 ATOM 717 H HZ2 . TRP A 1 4 ? 8.912 -3.205 -10.787 1.00 0.00 ? 4 TRP A HZ2 2 ATOM 718 H HZ3 . TRP A 1 4 ? 4.948 -2.334 -12.102 1.00 0.00 ? 4 TRP A HZ3 2 ATOM 719 H HH2 . TRP A 1 4 ? 6.741 -3.934 -11.676 1.00 0.00 ? 4 TRP A HH2 2 ATOM 720 N N . CYS A 1 5 ? 4.864 3.287 -8.699 1.00 0.00 ? 5 CYS A N 2 ATOM 721 C CA . CYS A 1 5 ? 3.566 3.895 -8.433 1.00 0.00 ? 5 CYS A CA 2 ATOM 722 C C . CYS A 1 5 ? 3.470 4.358 -6.982 1.00 0.00 ? 5 CYS A C 2 ATOM 723 O O . CYS A 1 5 ? 4.467 4.382 -6.260 1.00 0.00 ? 5 CYS A O 2 ATOM 724 C CB . CYS A 1 5 ? 2.442 2.904 -8.739 1.00 0.00 ? 5 CYS A CB 2 ATOM 725 S SG . CYS A 1 5 ? 2.664 1.986 -10.297 1.00 0.00 ? 5 CYS A SG 2 ATOM 726 H H . CYS A 1 5 ? 4.981 2.325 -8.544 1.00 0.00 ? 5 CYS A H 2 ATOM 727 H HA . CYS A 1 5 ? 3.464 4.754 -9.079 1.00 0.00 ? 5 CYS A HA 2 ATOM 728 H HB2 . CYS A 1 5 ? 2.382 2.181 -7.939 1.00 0.00 ? 5 CYS A HB2 2 ATOM 729 H HB3 . CYS A 1 5 ? 1.507 3.441 -8.804 1.00 0.00 ? 5 CYS A HB3 2 ATOM 730 N N . TRP A 1 6 ? 2.264 4.723 -6.562 1.00 0.00 ? 6 TRP A N 2 ATOM 731 C CA . TRP A 1 6 ? 2.037 5.185 -5.197 1.00 0.00 ? 6 TRP A CA 2 ATOM 732 C C . TRP A 1 6 ? 0.601 4.915 -4.763 1.00 0.00 ? 6 TRP A C 2 ATOM 733 O O . TRP A 1 6 ? 0.354 4.484 -3.637 1.00 0.00 ? 6 TRP A O 2 ATOM 734 C CB . TRP A 1 6 ? 2.345 6.679 -5.085 1.00 0.00 ? 6 TRP A CB 2 ATOM 735 C CG . TRP A 1 6 ? 3.060 7.044 -3.820 1.00 0.00 ? 6 TRP A CG 2 ATOM 736 C CD1 . TRP A 1 6 ? 4.394 7.304 -3.678 1.00 0.00 ? 6 TRP A CD1 2 ATOM 737 C CD2 . TRP A 1 6 ? 2.481 7.189 -2.518 1.00 0.00 ? 6 TRP A CD2 2 ATOM 738 N NE1 . TRP A 1 6 ? 4.678 7.601 -2.367 1.00 0.00 ? 6 TRP A NE1 2 ATOM 739 C CE2 . TRP A 1 6 ? 3.522 7.538 -1.636 1.00 0.00 ? 6 TRP A CE2 2 ATOM 740 C CE3 . TRP A 1 6 ? 1.185 7.059 -2.013 1.00 0.00 ? 6 TRP A CE3 2 ATOM 741 C CZ2 . TRP A 1 6 ? 3.304 7.757 -0.278 1.00 0.00 ? 6 TRP A CZ2 2 ATOM 742 C CZ3 . TRP A 1 6 ? 0.970 7.277 -0.666 1.00 0.00 ? 6 TRP A CZ3 2 ATOM 743 C CH2 . TRP A 1 6 ? 2.025 7.623 0.189 1.00 0.00 ? 6 TRP A CH2 2 ATOM 744 H H . TRP A 1 6 ? 1.508 4.682 -7.185 1.00 0.00 ? 6 TRP A H 2 ATOM 745 H HA . TRP A 1 6 ? 2.706 4.639 -4.548 1.00 0.00 ? 6 TRP A HA 2 ATOM 746 H HB2 . TRP A 1 6 ? 2.965 6.976 -5.917 1.00 0.00 ? 6 TRP A HB2 2 ATOM 747 H HB3 . TRP A 1 6 ? 1.417 7.233 -5.116 1.00 0.00 ? 6 TRP A HB3 2 ATOM 748 H HD1 . TRP A 1 6 ? 5.108 7.274 -4.487 1.00 0.00 ? 6 TRP A HD1 2 ATOM 749 H HE1 . TRP A 1 6 ? 5.565 7.823 -2.014 1.00 0.00 ? 6 TRP A HE1 2 ATOM 750 H HE3 . TRP A 1 6 ? 0.359 6.793 -2.656 1.00 0.00 ? 6 TRP A HE3 2 ATOM 751 H HZ2 . TRP A 1 6 ? 4.106 8.025 0.394 1.00 0.00 ? 6 TRP A HZ2 2 ATOM 752 H HZ3 . TRP A 1 6 ? -0.025 7.181 -0.257 1.00 0.00 ? 6 TRP A HZ3 2 ATOM 753 H HH2 . TRP A 1 6 ? 1.811 7.783 1.235 1.00 0.00 ? 6 TRP A HH2 2 ATOM 754 N N . TYR A 1 7 ? -0.343 5.170 -5.663 1.00 0.00 ? 7 TYR A N 2 ATOM 755 C CA . TYR A 1 7 ? -1.755 4.956 -5.371 1.00 0.00 ? 7 TYR A CA 2 ATOM 756 C C . TYR A 1 7 ? -2.621 5.315 -6.575 1.00 0.00 ? 7 TYR A C 2 ATOM 757 O O . TYR A 1 7 ? -2.118 5.500 -7.684 1.00 0.00 ? 7 TYR A O 2 ATOM 758 C CB . TYR A 1 7 ? -2.178 5.786 -4.158 1.00 0.00 ? 7 TYR A CB 2 ATOM 759 C CG . TYR A 1 7 ? -3.044 5.027 -3.178 1.00 0.00 ? 7 TYR A CG 2 ATOM 760 C CD1 . TYR A 1 7 ? -2.577 3.879 -2.551 1.00 0.00 ? 7 TYR A CD1 2 ATOM 761 C CD2 . TYR A 1 7 ? -4.330 5.460 -2.877 1.00 0.00 ? 7 TYR A CD2 2 ATOM 762 C CE1 . TYR A 1 7 ? -3.365 3.183 -1.655 1.00 0.00 ? 7 TYR A CE1 2 ATOM 763 C CE2 . TYR A 1 7 ? -5.125 4.771 -1.982 1.00 0.00 ? 7 TYR A CE2 2 ATOM 764 C CZ . TYR A 1 7 ? -4.638 3.633 -1.374 1.00 0.00 ? 7 TYR A CZ 2 ATOM 765 O OH . TYR A 1 7 ? -5.426 2.943 -0.481 1.00 0.00 ? 7 TYR A OH 2 ATOM 766 H H . TYR A 1 7 ? -0.084 5.512 -6.544 1.00 0.00 ? 7 TYR A H 2 ATOM 767 H HA . TYR A 1 7 ? -1.892 3.908 -5.143 1.00 0.00 ? 7 TYR A HA 2 ATOM 768 H HB2 . TYR A 1 7 ? -1.296 6.118 -3.632 1.00 0.00 ? 7 TYR A HB2 2 ATOM 769 H HB3 . TYR A 1 7 ? -2.736 6.647 -4.496 1.00 0.00 ? 7 TYR A HB3 2 ATOM 770 H HD1 . TYR A 1 7 ? -1.579 3.530 -2.773 1.00 0.00 ? 7 TYR A HD1 2 ATOM 771 H HD2 . TYR A 1 7 ? -4.709 6.352 -3.356 1.00 0.00 ? 7 TYR A HD2 2 ATOM 772 H HE1 . TYR A 1 7 ? -2.984 2.292 -1.178 1.00 0.00 ? 7 TYR A HE1 2 ATOM 773 H HE2 . TYR A 1 7 ? -6.122 5.123 -1.762 1.00 0.00 ? 7 TYR A HE2 2 ATOM 774 H HH . TYR A 1 7 ? -4.867 2.488 0.153 1.00 0.00 ? 7 TYR A HH 2 ATOM 775 N N . THR A 1 8 ? -3.927 5.414 -6.347 1.00 0.00 ? 8 THR A N 2 ATOM 776 C CA . THR A 1 8 ? -4.864 5.751 -7.411 1.00 0.00 ? 8 THR A CA 2 ATOM 777 C C . THR A 1 8 ? -5.219 7.234 -7.383 1.00 0.00 ? 8 THR A C 2 ATOM 778 O O . THR A 1 8 ? -6.286 7.637 -7.848 1.00 0.00 ? 8 THR A O 2 ATOM 779 C CB . THR A 1 8 ? -6.159 4.924 -7.303 1.00 0.00 ? 8 THR A CB 2 ATOM 780 O OG1 . THR A 1 8 ? -5.850 3.580 -6.916 1.00 0.00 ? 8 THR A OG1 2 ATOM 781 C CG2 . THR A 1 8 ? -6.909 4.916 -8.626 1.00 0.00 ? 8 THR A CG2 2 ATOM 782 H H . THR A 1 8 ? -4.267 5.256 -5.442 1.00 0.00 ? 8 THR A H 2 ATOM 783 H HA . THR A 1 8 ? -4.393 5.522 -8.356 1.00 0.00 ? 8 THR A HA 2 ATOM 784 H HB . THR A 1 8 ? -6.791 5.370 -6.549 1.00 0.00 ? 8 THR A HB 2 ATOM 785 H HG1 . THR A 1 8 ? -5.215 3.207 -7.533 1.00 0.00 ? 8 THR A HG1 2 ATOM 786 H HG21 . THR A 1 8 ? -6.363 5.500 -9.352 1.00 0.00 ? 8 THR A HG21 2 ATOM 787 H HG22 . THR A 1 8 ? -7.891 5.344 -8.485 1.00 0.00 ? 8 THR A HG22 2 ATOM 788 H HG23 . THR A 1 8 ? -7.006 3.901 -8.979 1.00 0.00 ? 8 THR A HG23 2 ATOM 789 N N . LEU A 1 9 ? -4.318 8.042 -6.835 1.00 0.00 ? 9 LEU A N 2 ATOM 790 C CA . LEU A 1 9 ? -4.535 9.482 -6.746 1.00 0.00 ? 9 LEU A CA 2 ATOM 791 C C . LEU A 1 9 ? -4.678 10.097 -8.135 1.00 0.00 ? 9 LEU A C 2 ATOM 792 O O . LEU A 1 9 ? -5.343 11.119 -8.306 1.00 0.00 ? 9 LEU A O 2 ATOM 793 C CB . LEU A 1 9 ? -3.379 10.147 -5.997 1.00 0.00 ? 9 LEU A CB 2 ATOM 794 C CG . LEU A 1 9 ? -3.587 10.363 -4.498 1.00 0.00 ? 9 LEU A CG 2 ATOM 795 C CD1 . LEU A 1 9 ? -3.509 9.039 -3.752 1.00 0.00 ? 9 LEU A CD1 2 ATOM 796 C CD2 . LEU A 1 9 ? -2.561 11.345 -3.953 1.00 0.00 ? 9 LEU A CD2 2 ATOM 797 H H . LEU A 1 9 ? -3.487 7.663 -6.481 1.00 0.00 ? 9 LEU A H 2 ATOM 798 H HA . LEU A 1 9 ? -5.451 9.645 -6.198 1.00 0.00 ? 9 LEU A HA 2 ATOM 799 H HB2 . LEU A 1 9 ? -2.504 9.529 -6.124 1.00 0.00 ? 9 LEU A HB2 2 ATOM 800 H HB3 . LEU A 1 9 ? -3.205 11.112 -6.450 1.00 0.00 ? 9 LEU A HB3 2 ATOM 801 H HG . LEU A 1 9 ? -4.571 10.780 -4.333 1.00 0.00 ? 9 LEU A HG 2 ATOM 802 H HD11 . LEU A 1 9 ? -4.042 8.282 -4.306 1.00 0.00 ? 9 LEU A HD11 2 ATOM 803 H HD12 . LEU A 1 9 ? -3.954 9.150 -2.774 1.00 0.00 ? 9 LEU A HD12 2 ATOM 804 H HD13 . LEU A 1 9 ? -2.475 8.747 -3.645 1.00 0.00 ? 9 LEU A HD13 2 ATOM 805 H HD21 . LEU A 1 9 ? -1.824 11.555 -4.714 1.00 0.00 ? 9 LEU A HD21 2 ATOM 806 H HD22 . LEU A 1 9 ? -2.074 10.915 -3.090 1.00 0.00 ? 9 LEU A HD22 2 ATOM 807 H HD23 . LEU A 1 9 ? -3.056 12.262 -3.667 1.00 0.00 ? 9 LEU A HD23 2 ATOM 808 N N . ALA A 1 10 ? -4.050 9.468 -9.123 1.00 0.00 ? 10 ALA A N 2 ATOM 809 C CA . ALA A 1 10 ? -4.111 9.951 -10.496 1.00 0.00 ? 10 ALA A CA 2 ATOM 810 C C . ALA A 1 10 ? -3.436 11.312 -10.630 1.00 0.00 ? 10 ALA A C 2 ATOM 811 O O . ALA A 1 10 ? -4.081 12.304 -10.968 1.00 0.00 ? 10 ALA A O 2 ATOM 812 C CB . ALA A 1 10 ? -5.556 10.028 -10.966 1.00 0.00 ? 10 ALA A CB 2 ATOM 813 H H . ALA A 1 10 ? -3.536 8.658 -8.923 1.00 0.00 ? 10 ALA A H 2 ATOM 814 H HA . ALA A 1 10 ? -3.592 9.240 -11.123 1.00 0.00 ? 10 ALA A HA 2 ATOM 815 H HB1 . ALA A 1 10 ? -6.117 9.211 -10.535 1.00 0.00 ? 10 ALA A HB1 2 ATOM 816 H HB2 . ALA A 1 10 ? -5.987 10.967 -10.652 1.00 0.00 ? 10 ALA A HB2 2 ATOM 817 H HB3 . ALA A 1 10 ? -5.588 9.959 -12.043 1.00 0.00 ? 10 ALA A HB3 2 ATOM 818 N N . MET A 1 11 ? -2.135 11.351 -10.361 1.00 0.00 ? 11 MET A N 2 ATOM 819 C CA . MET A 1 11 ? -1.373 12.592 -10.452 1.00 0.00 ? 11 MET A CA 2 ATOM 820 C C . MET A 1 11 ? -1.285 13.071 -11.897 1.00 0.00 ? 11 MET A C 2 ATOM 821 O O . MET A 1 11 ? -1.954 14.029 -12.286 1.00 0.00 ? 11 MET A O 2 ATOM 822 C CB . MET A 1 11 ? 0.032 12.395 -9.881 1.00 0.00 ? 11 MET A CB 2 ATOM 823 C CG . MET A 1 11 ? 0.050 12.147 -8.381 1.00 0.00 ? 11 MET A CG 2 ATOM 824 S SD . MET A 1 11 ? 1.655 11.577 -7.790 1.00 0.00 ? 11 MET A SD 2 ATOM 825 C CE . MET A 1 11 ? 1.256 9.904 -7.288 1.00 0.00 ? 11 MET A CE 2 ATOM 826 H H . MET A 1 11 ? -1.675 10.527 -10.096 1.00 0.00 ? 11 MET A H 2 ATOM 827 H HA . MET A 1 11 ? -1.888 13.340 -9.868 1.00 0.00 ? 11 MET A HA 2 ATOM 828 H HB2 . MET A 1 11 ? 0.491 11.549 -10.369 1.00 0.00 ? 11 MET A HB2 2 ATOM 829 H HB3 . MET A 1 11 ? 0.618 13.279 -10.084 1.00 0.00 ? 11 MET A HB3 2 ATOM 830 H HG2 . MET A 1 11 ? -0.198 13.068 -7.874 1.00 0.00 ? 11 MET A HG2 2 ATOM 831 H HG3 . MET A 1 11 ? -0.693 11.399 -8.145 1.00 0.00 ? 11 MET A HG3 2 ATOM 832 H HE1 . MET A 1 11 ? 0.302 9.621 -7.708 1.00 0.00 ? 11 MET A HE1 2 ATOM 833 H HE2 . MET A 1 11 ? 2.021 9.230 -7.645 1.00 0.00 ? 11 MET A HE2 2 ATOM 834 H HE3 . MET A 1 11 ? 1.205 9.854 -6.211 1.00 0.00 ? 11 MET A HE3 2 ATOM 835 N N . CYS A 1 12 ? -0.456 12.399 -12.689 1.00 0.00 ? 12 CYS A N 2 ATOM 836 C CA . CYS A 1 12 ? -0.279 12.756 -14.091 1.00 0.00 ? 12 CYS A CA 2 ATOM 837 C C . CYS A 1 12 ? -1.626 12.851 -14.802 1.00 0.00 ? 12 CYS A C 2 ATOM 838 O O . CYS A 1 12 ? -2.609 12.248 -14.375 1.00 0.00 ? 12 CYS A O 2 ATOM 839 C CB . CYS A 1 12 ? 0.610 11.727 -14.793 1.00 0.00 ? 12 CYS A CB 2 ATOM 840 S SG . CYS A 1 12 ? -0.210 10.132 -15.112 1.00 0.00 ? 12 CYS A SG 2 ATOM 841 H H . CYS A 1 12 ? 0.051 11.644 -12.321 1.00 0.00 ? 12 CYS A H 2 ATOM 842 H HA . CYS A 1 12 ? 0.204 13.721 -14.130 1.00 0.00 ? 12 CYS A HA 2 ATOM 843 H HB2 . CYS A 1 12 ? 0.929 12.128 -15.744 1.00 0.00 ? 12 CYS A HB2 2 ATOM 844 H HB3 . CYS A 1 12 ? 1.478 11.535 -14.180 1.00 0.00 ? 12 CYS A HB3 2 ATOM 845 N N . GLY A 1 13 ? -1.661 13.613 -15.891 1.00 0.00 ? 13 GLY A N 2 ATOM 846 C CA . GLY A 1 13 ? -2.891 13.774 -16.645 1.00 0.00 ? 13 GLY A CA 2 ATOM 847 C C . GLY A 1 13 ? -3.690 14.983 -16.200 1.00 0.00 ? 13 GLY A C 2 ATOM 848 O O . GLY A 1 13 ? -4.523 15.493 -16.948 1.00 0.00 ? 13 GLY A O 2 ATOM 849 H H . GLY A 1 13 ? -0.846 14.071 -16.186 1.00 0.00 ? 13 GLY A H 2 ATOM 850 H HA2 . GLY A 1 13 ? -2.648 13.880 -17.691 1.00 0.00 ? 13 GLY A HA2 2 ATOM 851 H HA3 . GLY A 1 13 ? -3.497 12.889 -16.514 1.00 0.00 ? 13 GLY A HA3 2 ATOM 852 N N . ALA A 1 14 ? -3.436 15.442 -14.979 1.00 0.00 ? 14 ALA A N 2 ATOM 853 C CA . ALA A 1 14 ? -4.138 16.598 -14.436 1.00 0.00 ? 14 ALA A CA 2 ATOM 854 C C . ALA A 1 14 ? -3.197 17.789 -14.285 1.00 0.00 ? 14 ALA A C 2 ATOM 855 O O . ALA A 1 14 ? -3.415 18.662 -13.446 1.00 0.00 ? 14 ALA A O 2 ATOM 856 C CB . ALA A 1 14 ? -4.772 16.251 -13.098 1.00 0.00 ? 14 ALA A CB 2 ATOM 857 H H . ALA A 1 14 ? -2.760 14.992 -14.431 1.00 0.00 ? 14 ALA A H 2 ATOM 858 H HA . ALA A 1 14 ? -4.928 16.862 -15.124 1.00 0.00 ? 14 ALA A HA 2 ATOM 859 H HB1 . ALA A 1 14 ? -5.253 17.128 -12.690 1.00 0.00 ? 14 ALA A HB1 2 ATOM 860 H HB2 . ALA A 1 14 ? -5.504 15.470 -13.239 1.00 0.00 ? 14 ALA A HB2 2 ATOM 861 H HB3 . ALA A 1 14 ? -4.008 15.910 -12.416 1.00 0.00 ? 14 ALA A HB3 2 ATOM 862 N N . GLY A 1 15 ? -2.150 17.818 -15.104 1.00 0.00 ? 15 GLY A N 2 ATOM 863 C CA . GLY A 1 15 ? -1.191 18.906 -15.044 1.00 0.00 ? 15 GLY A CA 2 ATOM 864 C C . GLY A 1 15 ? 0.100 18.504 -14.360 1.00 0.00 ? 15 GLY A C 2 ATOM 865 O O . GLY A 1 15 ? 1.125 19.170 -14.512 1.00 0.00 ? 15 GLY A O 2 ATOM 866 H H . GLY A 1 15 ? -2.027 17.095 -15.754 1.00 0.00 ? 15 GLY A H 2 ATOM 867 H HA2 . GLY A 1 15 ? -0.968 19.231 -16.049 1.00 0.00 ? 15 GLY A HA2 2 ATOM 868 H HA3 . GLY A 1 15 ? -1.632 19.729 -14.500 1.00 0.00 ? 15 GLY A HA3 2 ATOM 869 N N . TYR A 1 16 ? 0.052 17.413 -13.603 1.00 0.00 ? 16 TYR A N 2 ATOM 870 C CA . TYR A 1 16 ? 1.227 16.926 -12.890 1.00 0.00 ? 16 TYR A CA 2 ATOM 871 C C . TYR A 1 16 ? 2.366 16.625 -13.858 1.00 0.00 ? 16 TYR A C 2 ATOM 872 O O . TYR A 1 16 ? 3.540 16.789 -13.524 1.00 0.00 ? 16 TYR A O 2 ATOM 873 C CB . TYR A 1 16 ? 0.878 15.670 -12.089 1.00 0.00 ? 16 TYR A CB 2 ATOM 874 C CG . TYR A 1 16 ? 0.593 15.943 -10.629 1.00 0.00 ? 16 TYR A CG 2 ATOM 875 C CD1 . TYR A 1 16 ? 1.623 15.999 -9.698 1.00 0.00 ? 16 TYR A CD1 2 ATOM 876 C CD2 . TYR A 1 16 ? -0.707 16.145 -10.181 1.00 0.00 ? 16 TYR A CD2 2 ATOM 877 C CE1 . TYR A 1 16 ? 1.367 16.247 -8.364 1.00 0.00 ? 16 TYR A CE1 2 ATOM 878 C CE2 . TYR A 1 16 ? -0.972 16.395 -8.849 1.00 0.00 ? 16 TYR A CE2 2 ATOM 879 C CZ . TYR A 1 16 ? 0.068 16.445 -7.944 1.00 0.00 ? 16 TYR A CZ 2 ATOM 880 O OH . TYR A 1 16 ? -0.192 16.693 -6.615 1.00 0.00 ? 16 TYR A OH 2 ATOM 881 H H . TYR A 1 16 ? -0.793 16.925 -13.521 1.00 0.00 ? 16 TYR A H 2 ATOM 882 H HA . TYR A 1 16 ? 1.545 17.700 -12.207 1.00 0.00 ? 16 TYR A HA 2 ATOM 883 H HB2 . TYR A 1 16 ? 0.001 15.210 -12.517 1.00 0.00 ? 16 TYR A HB2 2 ATOM 884 H HB3 . TYR A 1 16 ? 1.705 14.977 -12.141 1.00 0.00 ? 16 TYR A HB3 2 ATOM 885 H HD1 . TYR A 1 16 ? 2.639 15.843 -10.030 1.00 0.00 ? 16 TYR A HD1 2 ATOM 886 H HD2 . TYR A 1 16 ? -1.519 16.104 -10.892 1.00 0.00 ? 16 TYR A HD2 2 ATOM 887 H HE1 . TYR A 1 16 ? 2.181 16.286 -7.655 1.00 0.00 ? 16 TYR A HE1 2 ATOM 888 H HE2 . TYR A 1 16 ? -1.989 16.549 -8.520 1.00 0.00 ? 16 TYR A HE2 2 ATOM 889 H HH . TYR A 1 16 ? -1.024 17.166 -6.535 1.00 0.00 ? 16 TYR A HH 2 ATOM 890 N N . ASP A 1 17 ? 2.012 16.184 -15.060 1.00 0.00 ? 17 ASP A N 2 ATOM 891 C CA . ASP A 1 17 ? 3.003 15.861 -16.080 1.00 0.00 ? 17 ASP A CA 2 ATOM 892 C C . ASP A 1 17 ? 2.759 16.669 -17.350 1.00 0.00 ? 17 ASP A C 2 ATOM 893 O O . ASP A 1 17 ? 1.889 17.539 -17.387 1.00 0.00 ? 17 ASP A O 2 ATOM 894 C CB . ASP A 1 17 ? 2.970 14.365 -16.398 1.00 0.00 ? 17 ASP A CB 2 ATOM 895 C CG . ASP A 1 17 ? 3.342 13.511 -15.202 1.00 0.00 ? 17 ASP A CG 2 ATOM 896 O OD1 . ASP A 1 17 ? 2.689 13.650 -14.147 1.00 0.00 ? 17 ASP A OD1 2 ATOM 897 O OD2 . ASP A 1 17 ? 4.288 12.703 -15.321 1.00 0.00 ? 17 ASP A OD2 2 ATOM 898 H H . ASP A 1 17 ? 1.060 16.074 -15.267 1.00 0.00 ? 17 ASP A H 2 ATOM 899 H HA . ASP A 1 17 ? 3.976 16.115 -15.688 1.00 0.00 ? 17 ASP A HA 2 ATOM 900 H HB2 . ASP A 1 17 ? 1.974 14.093 -16.715 1.00 0.00 ? 17 ASP A HB2 2 ATOM 901 H HB3 . ASP A 1 17 ? 3.667 14.158 -17.197 1.00 0.00 ? 17 ASP A HB3 2 ATOM 902 N N . SER A 1 18 ? 3.534 16.376 -18.390 1.00 0.00 ? 18 SER A N 2 ATOM 903 C CA . SER A 1 18 ? 3.406 17.079 -19.661 1.00 0.00 ? 18 SER A CA 2 ATOM 904 C C . SER A 1 18 ? 2.301 16.463 -20.513 1.00 0.00 ? 18 SER A C 2 ATOM 905 O O . SER A 1 18 ? 2.649 15.504 -21.201 1.00 0.00 ? 18 SER A O 2 ATOM 906 C CB . SER A 1 18 ? 4.733 17.045 -20.423 1.00 0.00 ? 18 SER A CB 2 ATOM 907 O OG . SER A 1 18 ? 5.611 18.057 -19.961 1.00 0.00 ? 18 SER A OG 2 ATOM 908 H H . SER A 1 18 ? 4.210 15.672 -18.298 1.00 0.00 ? 18 SER A H 2 ATOM 909 H HA . SER A 1 18 ? 3.150 18.106 -19.447 1.00 0.00 ? 18 SER A HA 2 ATOM 910 H HB2 . SER A 1 18 ? 5.203 16.084 -20.279 1.00 0.00 ? 18 SER A HB2 2 ATOM 911 H HB3 . SER A 1 18 ? 4.544 17.201 -21.475 1.00 0.00 ? 18 SER A HB3 2 ATOM 912 N N . GLY A 1 19 ? 1.155 16.453 -19.812 1.00 0.00 ? 19 GLY A N 2 ATOM 913 C CA . GLY A 1 19 ? 0.251 15.319 -19.869 1.00 0.00 ? 19 GLY A CA 2 ATOM 914 C C . GLY A 1 19 ? 0.925 14.066 -20.392 1.00 0.00 ? 19 GLY A C 2 ATOM 915 O O . GLY A 1 19 ? 0.747 13.694 -21.553 1.00 0.00 ? 19 GLY A O 2 ATOM 916 H H . GLY A 1 19 ? 0.925 17.233 -19.265 1.00 0.00 ? 19 GLY A H 2 ATOM 917 H HA2 . GLY A 1 19 ? -0.128 15.124 -18.877 1.00 0.00 ? 19 GLY A HA2 2 ATOM 918 H HA3 . GLY A 1 19 ? -0.577 15.565 -20.518 1.00 0.00 ? 19 GLY A HA3 2 ATOM 919 N N . THR A 1 20 ? 1.704 13.413 -19.535 1.00 0.00 ? 20 THR A N 2 ATOM 920 C CA . THR A 1 20 ? 2.410 12.196 -19.918 1.00 0.00 ? 20 THR A CA 2 ATOM 921 C C . THR A 1 20 ? 2.637 11.291 -18.713 1.00 0.00 ? 20 THR A C 2 ATOM 922 O O . THR A 1 20 ? 2.987 11.759 -17.629 1.00 0.00 ? 20 THR A O 2 ATOM 923 C CB . THR A 1 20 ? 3.768 12.516 -20.569 1.00 0.00 ? 20 THR A CB 2 ATOM 924 O OG1 . THR A 1 20 ? 4.297 11.344 -21.199 1.00 0.00 ? 20 THR A OG1 2 ATOM 925 C CG2 . THR A 1 20 ? 4.757 13.032 -19.534 1.00 0.00 ? 20 THR A CG2 2 ATOM 926 H H . THR A 1 20 ? 1.806 13.759 -18.624 1.00 0.00 ? 20 THR A H 2 ATOM 927 H HA . THR A 1 20 ? 1.802 11.672 -20.641 1.00 0.00 ? 20 THR A HA 2 ATOM 928 H HB . THR A 1 20 ? 3.620 13.282 -21.317 1.00 0.00 ? 20 THR A HB 2 ATOM 929 H HG1 . THR A 1 20 ? 3.577 10.821 -21.559 1.00 0.00 ? 20 THR A HG1 2 ATOM 930 H HG21 . THR A 1 20 ? 4.937 12.265 -18.796 1.00 0.00 ? 20 THR A HG21 2 ATOM 931 H HG22 . THR A 1 20 ? 4.348 13.907 -19.051 1.00 0.00 ? 20 THR A HG22 2 ATOM 932 H HG23 . THR A 1 20 ? 5.686 13.289 -20.020 1.00 0.00 ? 20 THR A HG23 2 ATOM 933 N N . CYS A 1 21 ? 2.437 9.992 -18.909 1.00 0.00 ? 21 CYS A N 2 ATOM 934 C CA . CYS A 1 21 ? 2.621 9.019 -17.838 1.00 0.00 ? 21 CYS A CA 2 ATOM 935 C C . CYS A 1 21 ? 3.474 7.845 -18.310 1.00 0.00 ? 21 CYS A C 2 ATOM 936 O O . CYS A 1 21 ? 4.001 7.855 -19.423 1.00 0.00 ? 21 CYS A O 2 ATOM 937 C CB . CYS A 1 21 ? 1.265 8.512 -17.344 1.00 0.00 ? 21 CYS A CB 2 ATOM 938 S SG . CYS A 1 21 ? 0.036 9.827 -17.064 1.00 0.00 ? 21 CYS A SG 2 ATOM 939 H H . CYS A 1 21 ? 2.159 9.679 -19.796 1.00 0.00 ? 21 CYS A H 2 ATOM 940 H HA . CYS A 1 21 ? 3.129 9.513 -17.024 1.00 0.00 ? 21 CYS A HA 2 ATOM 941 H HB2 . CYS A 1 21 ? 0.855 7.831 -18.076 1.00 0.00 ? 21 CYS A HB2 2 ATOM 942 H HB3 . CYS A 1 21 ? 1.404 7.987 -16.410 1.00 0.00 ? 21 CYS A HB3 2 ATOM 943 N N . ASP A 1 22 ? 3.605 6.836 -17.457 1.00 0.00 ? 22 ASP A N 2 ATOM 944 C CA . ASP A 1 22 ? 4.392 5.654 -17.786 1.00 0.00 ? 22 ASP A CA 2 ATOM 945 C C . ASP A 1 22 ? 3.915 4.443 -16.990 1.00 0.00 ? 22 ASP A C 2 ATOM 946 O O . ASP A 1 22 ? 3.234 3.566 -17.522 1.00 0.00 ? 22 ASP A O 2 ATOM 947 C CB . ASP A 1 22 ? 5.875 5.909 -17.510 1.00 0.00 ? 22 ASP A CB 2 ATOM 948 C CG . ASP A 1 22 ? 6.683 6.064 -18.783 1.00 0.00 ? 22 ASP A CG 2 ATOM 949 O OD1 . ASP A 1 22 ? 6.582 7.132 -19.424 1.00 0.00 ? 22 ASP A OD1 2 ATOM 950 O OD2 . ASP A 1 22 ? 7.416 5.118 -19.139 1.00 0.00 ? 22 ASP A OD2 2 ATOM 951 H H . ASP A 1 22 ? 3.160 6.887 -16.585 1.00 0.00 ? 22 ASP A H 2 ATOM 952 H HA . ASP A 1 22 ? 4.262 5.450 -18.838 1.00 0.00 ? 22 ASP A HA 2 ATOM 953 H HB2 . ASP A 1 22 ? 5.975 6.815 -16.929 1.00 0.00 ? 22 ASP A HB2 2 ATOM 954 H HB3 . ASP A 1 22 ? 6.277 5.079 -16.948 1.00 0.00 ? 22 ASP A HB3 2 ATOM 955 N N . TYR A 1 23 ? 4.277 4.402 -15.712 1.00 0.00 ? 23 TYR A N 2 ATOM 956 C CA . TYR A 1 23 ? 3.889 3.298 -14.843 1.00 0.00 ? 23 TYR A CA 2 ATOM 957 C C . TYR A 1 23 ? 2.375 3.256 -14.658 1.00 0.00 ? 23 TYR A C 2 ATOM 958 O O . TYR A 1 23 ? 1.801 2.205 -14.375 1.00 0.00 ? 23 TYR A O 2 ATOM 959 C CB . TYR A 1 23 ? 4.577 3.425 -13.483 1.00 0.00 ? 23 TYR A CB 2 ATOM 960 C CG . TYR A 1 23 ? 6.044 3.777 -13.578 1.00 0.00 ? 23 TYR A CG 2 ATOM 961 C CD1 . TYR A 1 23 ? 6.924 2.986 -14.306 1.00 0.00 ? 23 TYR A CD1 2 ATOM 962 C CD2 . TYR A 1 23 ? 6.551 4.903 -12.939 1.00 0.00 ? 23 TYR A CD2 2 ATOM 963 C CE1 . TYR A 1 23 ? 8.265 3.304 -14.394 1.00 0.00 ? 23 TYR A CE1 2 ATOM 964 C CE2 . TYR A 1 23 ? 7.891 5.229 -13.023 1.00 0.00 ? 23 TYR A CE2 2 ATOM 965 C CZ . TYR A 1 23 ? 8.744 4.426 -13.751 1.00 0.00 ? 23 TYR A CZ 2 ATOM 966 O OH . TYR A 1 23 ? 10.079 4.747 -13.838 1.00 0.00 ? 23 TYR A OH 2 ATOM 967 H H . TYR A 1 23 ? 4.820 5.130 -15.345 1.00 0.00 ? 23 TYR A H 2 ATOM 968 H HA . TYR A 1 23 ? 4.208 2.378 -15.312 1.00 0.00 ? 23 TYR A HA 2 ATOM 969 H HB2 . TYR A 1 23 ? 4.087 4.198 -12.910 1.00 0.00 ? 23 TYR A HB2 2 ATOM 970 H HB3 . TYR A 1 23 ? 4.494 2.486 -12.956 1.00 0.00 ? 23 TYR A HB3 2 ATOM 971 H HD1 . TYR A 1 23 ? 6.545 2.107 -14.808 1.00 0.00 ? 23 TYR A HD1 2 ATOM 972 H HD2 . TYR A 1 23 ? 5.880 5.530 -12.370 1.00 0.00 ? 23 TYR A HD2 2 ATOM 973 H HE1 . TYR A 1 23 ? 8.933 2.675 -14.964 1.00 0.00 ? 23 TYR A HE1 2 ATOM 974 H HE2 . TYR A 1 23 ? 8.266 6.108 -12.520 1.00 0.00 ? 23 TYR A HE2 2 ATOM 975 H HH . TYR A 1 23 ? 10.573 3.981 -14.139 1.00 0.00 ? 23 TYR A HH 2 ATOM 976 N N . MET A 1 24 ? 1.734 4.409 -14.820 1.00 0.00 ? 24 MET A N 2 ATOM 977 C CA . MET A 1 24 ? 0.286 4.506 -14.673 1.00 0.00 ? 24 MET A CA 2 ATOM 978 C C . MET A 1 24 ? -0.425 3.661 -15.725 1.00 0.00 ? 24 MET A C 2 ATOM 979 O O . MET A 1 24 ? -1.387 2.956 -15.422 1.00 0.00 ? 24 MET A O 2 ATOM 980 C CB . MET A 1 24 ? -0.163 5.964 -14.784 1.00 0.00 ? 24 MET A CB 2 ATOM 981 C CG . MET A 1 24 ? 0.193 6.804 -13.568 1.00 0.00 ? 24 MET A CG 2 ATOM 982 S SD . MET A 1 24 ? 1.834 7.542 -13.691 1.00 0.00 ? 24 MET A SD 2 ATOM 983 C CE . MET A 1 24 ? 2.767 6.478 -12.594 1.00 0.00 ? 24 MET A CE 2 ATOM 984 H H . MET A 1 24 ? 2.246 5.214 -15.045 1.00 0.00 ? 24 MET A H 2 ATOM 985 H HA . MET A 1 24 ? 0.028 4.133 -13.693 1.00 0.00 ? 24 MET A HA 2 ATOM 986 H HB2 . MET A 1 24 ? 0.304 6.407 -15.650 1.00 0.00 ? 24 MET A HB2 2 ATOM 987 H HB3 . MET A 1 24 ? -1.235 5.990 -14.910 1.00 0.00 ? 24 MET A HB3 2 ATOM 988 H HG2 . MET A 1 24 ? -0.534 7.595 -13.467 1.00 0.00 ? 24 MET A HG2 2 ATOM 989 H HG3 . MET A 1 24 ? 0.161 6.175 -12.691 1.00 0.00 ? 24 MET A HG3 2 ATOM 990 H HE1 . MET A 1 24 ? 2.642 6.814 -11.574 1.00 0.00 ? 24 MET A HE1 2 ATOM 991 H HE2 . MET A 1 24 ? 2.409 5.463 -12.685 1.00 0.00 ? 24 MET A HE2 2 ATOM 992 H HE3 . MET A 1 24 ? 3.813 6.516 -12.860 1.00 0.00 ? 24 MET A HE3 2 ATOM 993 N N . TYR A 1 25 ? 0.055 3.737 -16.961 1.00 0.00 ? 25 TYR A N 2 ATOM 994 C CA . TYR A 1 25 ? -0.537 2.981 -18.059 1.00 0.00 ? 25 TYR A CA 2 ATOM 995 C C . TYR A 1 25 ? -0.322 1.483 -17.866 1.00 0.00 ? 25 TYR A C 2 ATOM 996 O O . TYR A 1 25 ? -0.907 0.665 -18.576 1.00 0.00 ? 25 TYR A O 2 ATOM 997 C CB . TYR A 1 25 ? 0.063 3.426 -19.394 1.00 0.00 ? 25 TYR A CB 2 ATOM 998 C CG . TYR A 1 25 ? -0.528 4.713 -19.924 1.00 0.00 ? 25 TYR A CG 2 ATOM 999 C CD1 . TYR A 1 25 ? -0.525 5.870 -19.154 1.00 0.00 ? 25 TYR A CD1 2 ATOM 1000 C CD2 . TYR A 1 25 ? -1.090 4.772 -21.193 1.00 0.00 ? 25 TYR A CD2 2 ATOM 1001 C CE1 . TYR A 1 25 ? -1.064 7.048 -19.634 1.00 0.00 ? 25 TYR A CE1 2 ATOM 1002 C CE2 . TYR A 1 25 ? -1.630 5.946 -21.681 1.00 0.00 ? 25 TYR A CE2 2 ATOM 1003 C CZ . TYR A 1 25 ? -1.615 7.081 -20.898 1.00 0.00 ? 25 TYR A CZ 2 ATOM 1004 O OH . TYR A 1 25 ? -2.153 8.253 -21.380 1.00 0.00 ? 25 TYR A OH 2 ATOM 1005 H H . TYR A 1 25 ? 0.824 4.317 -17.141 1.00 0.00 ? 25 TYR A H 2 ATOM 1006 H HA . TYR A 1 25 ? -1.598 3.184 -18.066 1.00 0.00 ? 25 TYR A HA 2 ATOM 1007 H HB2 . TYR A 1 25 ? 1.124 3.575 -19.272 1.00 0.00 ? 25 TYR A HB2 2 ATOM 1008 H HB3 . TYR A 1 25 ? -0.106 2.655 -20.131 1.00 0.00 ? 25 TYR A HB3 2 ATOM 1009 H HD1 . TYR A 1 25 ? -0.093 5.841 -18.164 1.00 0.00 ? 25 TYR A HD1 2 ATOM 1010 H HD2 . TYR A 1 25 ? -1.100 3.881 -21.804 1.00 0.00 ? 25 TYR A HD2 2 ATOM 1011 H HE1 . TYR A 1 25 ? -1.052 7.938 -19.021 1.00 0.00 ? 25 TYR A HE1 2 ATOM 1012 H HE2 . TYR A 1 25 ? -2.061 5.972 -22.671 1.00 0.00 ? 25 TYR A HE2 2 ATOM 1013 H HH . TYR A 1 25 ? -1.511 8.961 -21.288 1.00 0.00 ? 25 TYR A HH 2 ATOM 1014 N N . SER A 1 26 ? 0.520 1.132 -16.900 1.00 0.00 ? 26 SER A N 2 ATOM 1015 C CA . SER A 1 26 ? 0.815 -0.267 -16.614 1.00 0.00 ? 26 SER A CA 2 ATOM 1016 C C . SER A 1 26 ? -0.215 -0.855 -15.654 1.00 0.00 ? 26 SER A C 2 ATOM 1017 O O . SER A 1 26 ? 0.102 -1.724 -14.841 1.00 0.00 ? 26 SER A O 2 ATOM 1018 C CB . SER A 1 26 ? 2.218 -0.404 -16.020 1.00 0.00 ? 26 SER A CB 2 ATOM 1019 O OG . SER A 1 26 ? 2.677 -1.742 -16.097 1.00 0.00 ? 26 SER A OG 2 ATOM 1020 H H . SER A 1 26 ? 0.955 1.831 -16.368 1.00 0.00 ? 26 SER A H 2 ATOM 1021 H HA . SER A 1 26 ? 0.773 -0.812 -17.546 1.00 0.00 ? 26 SER A HA 2 ATOM 1022 H HB2 . SER A 1 26 ? 2.901 0.230 -16.567 1.00 0.00 ? 26 SER A HB2 2 ATOM 1023 H HB3 . SER A 1 26 ? 2.198 -0.101 -14.983 1.00 0.00 ? 26 SER A HB3 2 ATOM 1024 H HG . SER A 1 26 ? 3.380 -1.803 -16.747 1.00 0.00 ? 26 SER A HG 2 ATOM 1025 N N . HIS A 1 27 ? -1.450 -0.375 -15.755 1.00 0.00 ? 27 HIS A N 2 ATOM 1026 C CA . HIS A 1 27 ? -2.529 -0.852 -14.896 1.00 0.00 ? 27 HIS A CA 2 ATOM 1027 C C . HIS A 1 27 ? -2.151 -0.717 -13.424 1.00 0.00 ? 27 HIS A C 2 ATOM 1028 O O . HIS A 1 27 ? -2.239 -1.678 -12.659 1.00 0.00 ? 27 HIS A O 2 ATOM 1029 C CB . HIS A 1 27 ? -2.858 -2.310 -15.219 1.00 0.00 ? 27 HIS A CB 2 ATOM 1030 C CG . HIS A 1 27 ? -4.301 -2.656 -15.017 1.00 0.00 ? 27 HIS A CG 2 ATOM 1031 N ND1 . HIS A 1 27 ? -4.884 -2.756 -13.771 1.00 0.00 ? 27 HIS A ND1 2 ATOM 1032 C CD2 . HIS A 1 27 ? -5.281 -2.925 -15.911 1.00 0.00 ? 27 HIS A CD2 2 ATOM 1033 C CE1 . HIS A 1 27 ? -6.159 -3.073 -13.908 1.00 0.00 ? 27 HIS A CE1 2 ATOM 1034 N NE2 . HIS A 1 27 ? -6.425 -3.181 -15.197 1.00 0.00 ? 27 HIS A NE2 2 ATOM 1035 H H . HIS A 1 27 ? -1.641 0.317 -16.423 1.00 0.00 ? 27 HIS A H 2 ATOM 1036 H HA . HIS A 1 27 ? -3.400 -0.244 -15.089 1.00 0.00 ? 27 HIS A HA 2 ATOM 1037 H HB2 . HIS A 1 27 ? -2.611 -2.508 -16.252 1.00 0.00 ? 27 HIS A HB2 2 ATOM 1038 H HB3 . HIS A 1 27 ? -2.269 -2.955 -14.583 1.00 0.00 ? 27 HIS A HB3 2 ATOM 1039 H HD1 . HIS A 1 27 ? -4.430 -2.617 -12.914 1.00 0.00 ? 27 HIS A HD1 2 ATOM 1040 H HD2 . HIS A 1 27 ? -5.181 -2.937 -16.988 1.00 0.00 ? 27 HIS A HD2 2 ATOM 1041 H HE1 . HIS A 1 27 ? -6.864 -3.219 -13.103 1.00 0.00 ? 27 HIS A HE1 2 ATOM 1042 N N . CYS A 1 28 ? -1.730 0.481 -13.034 1.00 0.00 ? 28 CYS A N 2 ATOM 1043 C CA . CYS A 1 28 ? -1.338 0.743 -11.654 1.00 0.00 ? 28 CYS A CA 2 ATOM 1044 C C . CYS A 1 28 ? -2.259 1.777 -11.014 1.00 0.00 ? 28 CYS A C 2 ATOM 1045 O O . CYS A 1 28 ? -2.341 1.878 -9.789 1.00 0.00 ? 28 CYS A O 2 ATOM 1046 C CB . CYS A 1 28 ? 0.112 1.230 -11.598 1.00 0.00 ? 28 CYS A CB 2 ATOM 1047 S SG . CYS A 1 28 ? 1.031 0.659 -10.133 1.00 0.00 ? 28 CYS A SG 2 ATOM 1048 H H . CYS A 1 28 ? -1.681 1.209 -13.691 1.00 0.00 ? 28 CYS A H 2 ATOM 1049 H HA . CYS A 1 28 ? -1.419 -0.183 -11.105 1.00 0.00 ? 28 CYS A HA 2 ATOM 1050 H HB2 . CYS A 1 28 ? 0.637 0.875 -12.473 1.00 0.00 ? 28 CYS A HB2 2 ATOM 1051 H HB3 . CYS A 1 28 ? 0.121 2.309 -11.592 1.00 0.00 ? 28 CYS A HB3 2 ATOM 1052 N N . PHE A 1 29 ? -2.950 2.544 -11.850 1.00 0.00 ? 29 PHE A N 2 ATOM 1053 C CA . PHE A 1 29 ? -3.865 3.571 -11.366 1.00 0.00 ? 29 PHE A CA 2 ATOM 1054 C C . PHE A 1 29 ? -5.294 3.284 -11.819 1.00 0.00 ? 29 PHE A C 2 ATOM 1055 O O . PHE A 1 29 ? -6.256 3.684 -11.165 1.00 0.00 ? 29 PHE A O 2 ATOM 1056 C CB . PHE A 1 29 ? -3.428 4.950 -11.866 1.00 0.00 ? 29 PHE A CB 2 ATOM 1057 C CG . PHE A 1 29 ? -2.301 5.546 -11.070 1.00 0.00 ? 29 PHE A CG 2 ATOM 1058 C CD1 . PHE A 1 29 ? -1.111 4.856 -10.907 1.00 0.00 ? 29 PHE A CD1 2 ATOM 1059 C CD2 . PHE A 1 29 ? -2.433 6.796 -10.487 1.00 0.00 ? 29 PHE A CD2 2 ATOM 1060 C CE1 . PHE A 1 29 ? -0.073 5.402 -10.175 1.00 0.00 ? 29 PHE A CE1 2 ATOM 1061 C CE2 . PHE A 1 29 ? -1.399 7.347 -9.755 1.00 0.00 ? 29 PHE A CE2 2 ATOM 1062 C CZ . PHE A 1 29 ? -0.217 6.650 -9.599 1.00 0.00 ? 29 PHE A CZ 2 ATOM 1063 H H . PHE A 1 29 ? -2.842 2.416 -12.816 1.00 0.00 ? 29 PHE A H 2 ATOM 1064 H HA . PHE A 1 29 ? -3.833 3.562 -10.288 1.00 0.00 ? 29 PHE A HA 2 ATOM 1065 H HB2 . PHE A 1 29 ? -3.101 4.867 -12.891 1.00 0.00 ? 29 PHE A HB2 2 ATOM 1066 H HB3 . PHE A 1 29 ? -4.267 5.627 -11.813 1.00 0.00 ? 29 PHE A HB3 2 ATOM 1067 H HD1 . PHE A 1 29 ? -0.997 3.881 -11.357 1.00 0.00 ? 29 PHE A HD1 2 ATOM 1068 H HD2 . PHE A 1 29 ? -3.358 7.343 -10.609 1.00 0.00 ? 29 PHE A HD2 2 ATOM 1069 H HE1 . PHE A 1 29 ? 0.850 4.855 -10.055 1.00 0.00 ? 29 PHE A HE1 2 ATOM 1070 H HE2 . PHE A 1 29 ? -1.515 8.322 -9.306 1.00 0.00 ? 29 PHE A HE2 2 ATOM 1071 H HZ . PHE A 1 29 ? 0.592 7.078 -9.026 1.00 0.00 ? 29 PHE A HZ 2 ATOM 1072 N N . GLY A 1 30 ? -5.424 2.587 -12.944 1.00 0.00 ? 30 GLY A N 2 ATOM 1073 C CA . GLY A 1 30 ? -6.737 2.258 -13.465 1.00 0.00 ? 30 GLY A CA 2 ATOM 1074 C C . GLY A 1 30 ? -7.312 3.365 -14.328 1.00 0.00 ? 30 GLY A C 2 ATOM 1075 O O . GLY A 1 30 ? -8.526 3.566 -14.364 1.00 0.00 ? 30 GLY A O 2 ATOM 1076 H H . GLY A 1 30 ? -4.620 2.294 -13.423 1.00 0.00 ? 30 GLY A H 2 ATOM 1077 H HA2 . GLY A 1 30 ? -6.663 1.357 -14.056 1.00 0.00 ? 30 GLY A HA2 2 ATOM 1078 H HA3 . GLY A 1 30 ? -7.407 2.079 -12.637 1.00 0.00 ? 30 GLY A HA3 2 ATOM 1079 N N . VAL A 1 31 ? -6.438 4.085 -15.023 1.00 0.00 ? 31 VAL A N 2 ATOM 1080 C CA . VAL A 1 31 ? -6.866 5.178 -15.889 1.00 0.00 ? 31 VAL A CA 2 ATOM 1081 C C . VAL A 1 31 ? -6.859 4.753 -17.354 1.00 0.00 ? 31 VAL A C 2 ATOM 1082 O O . VAL A 1 31 ? -7.707 5.178 -18.139 1.00 0.00 ? 31 VAL A O 2 ATOM 1083 C CB . VAL A 1 31 ? -5.963 6.414 -15.720 1.00 0.00 ? 31 VAL A CB 2 ATOM 1084 C CG1 . VAL A 1 31 ? -6.067 6.962 -14.305 1.00 0.00 ? 31 VAL A CG1 2 ATOM 1085 C CG2 . VAL A 1 31 ? -4.521 6.071 -16.063 1.00 0.00 ? 31 VAL A CG2 2 ATOM 1086 H H . VAL A 1 31 ? -5.483 3.877 -14.953 1.00 0.00 ? 31 VAL A H 2 ATOM 1087 H HA . VAL A 1 31 ? -7.872 5.452 -15.609 1.00 0.00 ? 31 VAL A HA 2 ATOM 1088 H HB . VAL A 1 31 ? -6.301 7.178 -16.405 1.00 0.00 ? 31 VAL A HB 2 ATOM 1089 H HG11 . VAL A 1 31 ? -6.418 6.184 -13.643 1.00 0.00 ? 31 VAL A HG11 2 ATOM 1090 H HG12 . VAL A 1 31 ? -5.096 7.304 -13.979 1.00 0.00 ? 31 VAL A HG12 2 ATOM 1091 H HG13 . VAL A 1 31 ? -6.764 7.788 -14.290 1.00 0.00 ? 31 VAL A HG13 2 ATOM 1092 H HG21 . VAL A 1 31 ? -3.892 6.930 -15.879 1.00 0.00 ? 31 VAL A HG21 2 ATOM 1093 H HG22 . VAL A 1 31 ? -4.192 5.246 -15.449 1.00 0.00 ? 31 VAL A HG22 2 ATOM 1094 H HG23 . VAL A 1 31 ? -4.454 5.793 -17.105 1.00 0.00 ? 31 VAL A HG23 2 ATOM 1095 N N . LYS A 1 32 ? -5.896 3.912 -17.715 1.00 0.00 ? 32 LYS A N 2 ATOM 1096 C CA . LYS A 1 32 ? -5.778 3.427 -19.085 1.00 0.00 ? 32 LYS A CA 2 ATOM 1097 C C . LYS A 1 32 ? -7.012 2.624 -19.486 1.00 0.00 ? 32 LYS A C 2 ATOM 1098 O O . LYS A 1 32 ? -7.740 2.117 -18.632 1.00 0.00 ? 32 LYS A O 2 ATOM 1099 C CB . LYS A 1 32 ? -4.524 2.563 -19.236 1.00 0.00 ? 32 LYS A CB 2 ATOM 1100 C CG . LYS A 1 32 ? -4.086 2.373 -20.678 1.00 0.00 ? 32 LYS A CG 2 ATOM 1101 C CD . LYS A 1 32 ? -2.791 1.583 -20.768 1.00 0.00 ? 32 LYS A CD 2 ATOM 1102 C CE . LYS A 1 32 ? -3.018 0.107 -20.482 1.00 0.00 ? 32 LYS A CE 2 ATOM 1103 N NZ . LYS A 1 32 ? -2.027 -0.753 -21.186 1.00 0.00 ? 32 LYS A NZ 2 ATOM 1104 H H . LYS A 1 32 ? -5.249 3.608 -17.044 1.00 0.00 ? 32 LYS A H 2 ATOM 1105 H HA . LYS A 1 32 ? -5.695 4.284 -19.735 1.00 0.00 ? 32 LYS A HA 2 ATOM 1106 H HB2 . LYS A 1 32 ? -3.714 3.027 -18.693 1.00 0.00 ? 32 LYS A HB2 2 ATOM 1107 H HB3 . LYS A 1 32 ? -4.719 1.589 -18.810 1.00 0.00 ? 32 LYS A HB3 2 ATOM 1108 H HG2 . LYS A 1 32 ? -4.858 1.840 -21.213 1.00 0.00 ? 32 LYS A HG2 2 ATOM 1109 H HG3 . LYS A 1 32 ? -3.937 3.344 -21.130 1.00 0.00 ? 32 LYS A HG3 2 ATOM 1110 H HD2 . LYS A 1 32 ? -2.384 1.687 -21.763 1.00 0.00 ? 32 LYS A HD2 2 ATOM 1111 H HD3 . LYS A 1 32 ? -2.088 1.977 -20.047 1.00 0.00 ? 32 LYS A HD3 2 ATOM 1112 H HE2 . LYS A 1 32 ? -2.933 -0.058 -19.419 1.00 0.00 ? 32 LYS A HE2 2 ATOM 1113 H HE3 . LYS A 1 32 ? -4.011 -0.161 -20.810 1.00 0.00 ? 32 LYS A HE3 2 ATOM 1114 H HZ1 . LYS A 1 32 ? -1.062 -0.504 -20.889 1.00 0.00 ? 32 LYS A HZ1 2 ATOM 1115 H HZ2 . LYS A 1 32 ? -2.106 -0.621 -22.215 1.00 0.00 ? 32 LYS A HZ2 2 ATOM 1116 H HZ3 . LYS A 1 32 ? -2.199 -1.754 -20.962 1.00 0.00 ? 32 LYS A HZ3 2 ATOM 1117 N N . HIS A 1 33 ? -7.241 2.513 -20.791 1.00 0.00 ? 33 HIS A N 2 ATOM 1118 C CA . HIS A 1 33 ? -8.386 1.770 -21.305 1.00 0.00 ? 33 HIS A CA 2 ATOM 1119 C C . HIS A 1 33 ? -9.690 2.315 -20.730 1.00 0.00 ? 33 HIS A C 2 ATOM 1120 O O . HIS A 1 33 ? -10.638 1.565 -20.496 1.00 0.00 ? 33 HIS A O 2 ATOM 1121 C CB . HIS A 1 33 ? -8.249 0.284 -20.971 1.00 0.00 ? 33 HIS A CB 2 ATOM 1122 C CG . HIS A 1 33 ? -9.161 -0.596 -21.769 1.00 0.00 ? 33 HIS A CG 2 ATOM 1123 N ND1 . HIS A 1 33 ? -9.772 -1.717 -21.247 1.00 0.00 ? 33 HIS A ND1 2 ATOM 1124 C CD2 . HIS A 1 33 ? -9.566 -0.514 -23.058 1.00 0.00 ? 33 HIS A CD2 2 ATOM 1125 C CE1 . HIS A 1 33 ? -10.512 -2.287 -22.182 1.00 0.00 ? 33 HIS A CE1 2 ATOM 1126 N NE2 . HIS A 1 33 ? -10.405 -1.577 -23.290 1.00 0.00 ? 33 HIS A NE2 2 ATOM 1127 H H . HIS A 1 33 ? -6.626 2.939 -21.423 1.00 0.00 ? 33 HIS A H 2 ATOM 1128 H HA . HIS A 1 33 ? -8.404 1.888 -22.378 1.00 0.00 ? 33 HIS A HA 2 ATOM 1129 H HB2 . HIS A 1 33 ? -7.234 -0.029 -21.164 1.00 0.00 ? 33 HIS A HB2 2 ATOM 1130 H HB3 . HIS A 1 33 ? -8.474 0.135 -19.925 1.00 0.00 ? 33 HIS A HB3 2 ATOM 1131 H HD1 . HIS A 1 33 ? -9.676 -2.046 -20.330 1.00 0.00 ? 33 HIS A HD1 2 ATOM 1132 H HD2 . HIS A 1 33 ? -9.283 0.246 -23.773 1.00 0.00 ? 33 HIS A HD2 2 ATOM 1133 H HE1 . HIS A 1 33 ? -11.104 -3.182 -22.060 1.00 0.00 ? 33 HIS A HE1 2 ATOM 1134 N N . SER A 1 34 ? -9.730 3.624 -20.503 1.00 0.00 ? 34 SER A N 2 ATOM 1135 C CA . SER A 1 34 ? -10.916 4.268 -19.950 1.00 0.00 ? 34 SER A CA 2 ATOM 1136 C C . SER A 1 34 ? -11.762 4.889 -21.057 1.00 0.00 ? 34 SER A C 2 ATOM 1137 O O . SER A 1 34 ? -11.253 5.236 -22.123 1.00 0.00 ? 34 SER A O 2 ATOM 1138 C CB . SER A 1 34 ? -10.513 5.341 -18.937 1.00 0.00 ? 34 SER A CB 2 ATOM 1139 O OG . SER A 1 34 ? -11.636 6.103 -18.528 1.00 0.00 ? 34 SER A OG 2 ATOM 1140 H H . SER A 1 34 ? -8.942 4.169 -20.710 1.00 0.00 ? 34 SER A H 2 ATOM 1141 H HA . SER A 1 34 ? -11.500 3.512 -19.448 1.00 0.00 ? 34 SER A HA 2 ATOM 1142 H HB2 . SER A 1 34 ? -10.079 4.869 -18.070 1.00 0.00 ? 34 SER A HB2 2 ATOM 1143 H HB3 . SER A 1 34 ? -9.788 6.004 -19.388 1.00 0.00 ? 34 SER A HB3 2 ATOM 1144 H HG . SER A 1 34 ? -11.384 7.025 -18.444 1.00 0.00 ? 34 SER A HG 2 ATOM 1145 N N . SER A 1 35 ? -13.058 5.026 -20.797 1.00 0.00 ? 35 SER A N 2 ATOM 1146 C CA . SER A 1 35 ? -13.978 5.602 -21.771 1.00 0.00 ? 35 SER A CA 2 ATOM 1147 C C . SER A 1 35 ? -13.515 6.991 -22.199 1.00 0.00 ? 35 SER A C 2 ATOM 1148 O O . SER A 1 35 ? -12.769 7.658 -21.483 1.00 0.00 ? 35 SER A O 2 ATOM 1149 C CB . SER A 1 35 ? -15.390 5.679 -21.188 1.00 0.00 ? 35 SER A CB 2 ATOM 1150 O OG . SER A 1 35 ? -15.723 4.486 -20.500 1.00 0.00 ? 35 SER A OG 2 ATOM 1151 H H . SER A 1 35 ? -13.405 4.730 -19.929 1.00 0.00 ? 35 SER A H 2 ATOM 1152 H HA . SER A 1 35 ? -13.989 4.957 -22.637 1.00 0.00 ? 35 SER A HA 2 ATOM 1153 H HB2 . SER A 1 35 ? -15.447 6.506 -20.497 1.00 0.00 ? 35 SER A HB2 2 ATOM 1154 H HB3 . SER A 1 35 ? -16.099 5.829 -21.989 1.00 0.00 ? 35 SER A HB3 2 ATOM 1155 H HG . SER A 1 35 ? -16.226 4.701 -19.711 1.00 0.00 ? 35 SER A HG 2 ATOM 1156 N N . GLY A 1 36 ? -13.965 7.422 -23.374 1.00 0.00 ? 36 GLY A N 2 ATOM 1157 C CA . GLY A 1 36 ? -13.589 8.730 -23.878 1.00 0.00 ? 36 GLY A CA 2 ATOM 1158 C C . GLY A 1 36 ? -12.540 8.649 -24.970 1.00 0.00 ? 36 GLY A C 2 ATOM 1159 O O . GLY A 1 36 ? -12.845 8.834 -26.148 1.00 0.00 ? 36 GLY A O 2 ATOM 1160 H H . GLY A 1 36 ? -14.558 6.848 -23.902 1.00 0.00 ? 36 GLY A H 2 ATOM 1161 H HA2 . GLY A 1 36 ? -14.467 9.219 -24.272 1.00 0.00 ? 36 GLY A HA2 2 ATOM 1162 H HA3 . GLY A 1 36 ? -13.196 9.318 -23.062 1.00 0.00 ? 36 GLY A HA3 2 ATOM 1163 N N . GLY A 1 37 ? -11.300 8.375 -24.579 1.00 0.00 ? 37 GLY A N 2 ATOM 1164 C CA . GLY A 1 37 ? -10.221 8.277 -25.545 1.00 0.00 ? 37 GLY A CA 2 ATOM 1165 C C . GLY A 1 37 ? -9.323 7.083 -25.293 1.00 0.00 ? 37 GLY A C 2 ATOM 1166 O O . GLY A 1 37 ? -9.102 6.694 -24.147 1.00 0.00 ? 37 GLY A O 2 ATOM 1167 H H . GLY A 1 37 ? -11.115 8.237 -23.626 1.00 0.00 ? 37 GLY A H 2 ATOM 1168 H HA2 . GLY A 1 37 ? -10.646 8.193 -26.535 1.00 0.00 ? 37 GLY A HA2 2 ATOM 1169 H HA3 . GLY A 1 37 ? -9.626 9.177 -25.496 1.00 0.00 ? 37 GLY A HA3 2 ATOM 1170 N N . GLY A 1 38 ? -8.803 6.497 -26.368 1.00 0.00 ? 38 GLY A N 2 ATOM 1171 C CA . GLY A 1 38 ? -7.931 5.345 -26.236 1.00 0.00 ? 38 GLY A CA 2 ATOM 1172 C C . GLY A 1 38 ? -6.482 5.678 -26.531 1.00 0.00 ? 38 GLY A C 2 ATOM 1173 O O . GLY A 1 38 ? -6.178 6.748 -27.058 1.00 0.00 ? 38 GLY A O 2 ATOM 1174 H H . GLY A 1 38 ? -9.014 6.851 -27.257 1.00 0.00 ? 38 GLY A H 2 ATOM 1175 H HA2 . GLY A 1 38 ? -8.004 4.965 -25.228 1.00 0.00 ? 38 GLY A HA2 2 ATOM 1176 H HA3 . GLY A 1 38 ? -8.259 4.579 -26.923 1.00 0.00 ? 38 GLY A HA3 2 ATOM 1177 N N . GLY A 1 39 ? -5.584 4.758 -26.191 1.00 0.00 ? 39 GLY A N 2 ATOM 1178 C CA . GLY A 1 39 ? -4.169 4.979 -26.429 1.00 0.00 ? 39 GLY A CA 2 ATOM 1179 C C . GLY A 1 39 ? -3.311 3.836 -25.925 1.00 0.00 ? 39 GLY A C 2 ATOM 1180 O O . GLY A 1 39 ? -3.567 3.282 -24.856 1.00 0.00 ? 39 GLY A O 2 ATOM 1181 H H . GLY A 1 39 ? -5.884 3.924 -25.774 1.00 0.00 ? 39 GLY A H 2 ATOM 1182 H HA2 . GLY A 1 39 ? -4.008 5.097 -27.490 1.00 0.00 ? 39 GLY A HA2 2 ATOM 1183 H HA3 . GLY A 1 39 ? -3.869 5.887 -25.926 1.00 0.00 ? 39 GLY A HA3 2 ATOM 1184 N N . SER A 1 40 ? -2.290 3.479 -26.698 1.00 0.00 ? 40 SER A N 2 ATOM 1185 C CA . SER A 1 40 ? -1.394 2.390 -26.327 1.00 0.00 ? 40 SER A CA 2 ATOM 1186 C C . SER A 1 40 ? -0.184 2.918 -25.562 1.00 0.00 ? 40 SER A C 2 ATOM 1187 O O . SER A 1 40 ? -0.050 2.694 -24.359 1.00 0.00 ? 40 SER A O 2 ATOM 1188 C CB . SER A 1 40 ? -0.933 1.634 -27.574 1.00 0.00 ? 40 SER A CB 2 ATOM 1189 O OG . SER A 1 40 ? -1.983 0.849 -28.113 1.00 0.00 ? 40 SER A OG 2 ATOM 1190 H H . SER A 1 40 ? -2.137 3.959 -27.539 1.00 0.00 ? 40 SER A H 2 ATOM 1191 H HA . SER A 1 40 ? -1.942 1.714 -25.688 1.00 0.00 ? 40 SER A HA 2 ATOM 1192 H HB2 . SER A 1 40 ? -0.609 2.342 -28.322 1.00 0.00 ? 40 SER A HB2 2 ATOM 1193 H HB3 . SER A 1 40 ? -0.110 0.983 -27.314 1.00 0.00 ? 40 SER A HB3 2 ATOM 1194 H HG . SER A 1 40 ? -1.615 0.161 -28.671 1.00 0.00 ? 40 SER A HG 2 ATOM 1195 N N . TYR A 1 41 ? 0.694 3.621 -26.269 1.00 0.00 ? 41 TYR A N 2 ATOM 1196 C CA . TYR A 1 41 ? 1.894 4.180 -25.659 1.00 0.00 ? 41 TYR A CA 2 ATOM 1197 C C . TYR A 1 41 ? 2.348 5.435 -26.398 1.00 0.00 ? 41 TYR A C 2 ATOM 1198 O O . TYR A 1 41 ? 1.997 5.646 -27.560 1.00 0.00 ? 41 TYR A O 2 ATOM 1199 C CB . TYR A 1 41 ? 3.019 3.143 -25.654 1.00 0.00 ? 41 TYR A CB 2 ATOM 1200 C CG . TYR A 1 41 ? 3.983 3.301 -24.500 1.00 0.00 ? 41 TYR A CG 2 ATOM 1201 C CD1 . TYR A 1 41 ? 5.095 4.127 -24.607 1.00 0.00 ? 41 TYR A CD1 2 ATOM 1202 C CD2 . TYR A 1 41 ? 3.782 2.625 -23.303 1.00 0.00 ? 41 TYR A CD2 2 ATOM 1203 C CE1 . TYR A 1 41 ? 5.979 4.274 -23.556 1.00 0.00 ? 41 TYR A CE1 2 ATOM 1204 C CE2 . TYR A 1 41 ? 4.660 2.767 -22.246 1.00 0.00 ? 41 TYR A CE2 2 ATOM 1205 C CZ . TYR A 1 41 ? 5.757 3.593 -22.377 1.00 0.00 ? 41 TYR A CZ 2 ATOM 1206 O OH . TYR A 1 41 ? 6.635 3.737 -21.327 1.00 0.00 ? 41 TYR A OH 2 ATOM 1207 H H . TYR A 1 41 ? 0.532 3.766 -27.225 1.00 0.00 ? 41 TYR A H 2 ATOM 1208 H HA . TYR A 1 41 ? 1.656 4.443 -24.639 1.00 0.00 ? 41 TYR A HA 2 ATOM 1209 H HB2 . TYR A 1 41 ? 2.589 2.155 -25.592 1.00 0.00 ? 41 TYR A HB2 2 ATOM 1210 H HB3 . TYR A 1 41 ? 3.582 3.229 -26.572 1.00 0.00 ? 41 TYR A HB3 2 ATOM 1211 H HD1 . TYR A 1 41 ? 5.266 4.661 -25.531 1.00 0.00 ? 41 TYR A HD1 2 ATOM 1212 H HD2 . TYR A 1 41 ? 2.922 1.979 -23.203 1.00 0.00 ? 41 TYR A HD2 2 ATOM 1213 H HE1 . TYR A 1 41 ? 6.838 4.921 -23.658 1.00 0.00 ? 41 TYR A HE1 2 ATOM 1214 H HE2 . TYR A 1 41 ? 4.487 2.233 -21.323 1.00 0.00 ? 41 TYR A HE2 2 ATOM 1215 H HH . TYR A 1 41 ? 7.150 2.933 -21.228 1.00 0.00 ? 41 TYR A HH 2 ATOM 1216 N N . HIS A 1 42 ? 3.130 6.265 -25.716 1.00 0.00 ? 42 HIS A N 2 ATOM 1217 C CA . HIS A 1 42 ? 3.634 7.500 -26.307 1.00 0.00 ? 42 HIS A CA 2 ATOM 1218 C C . HIS A 1 42 ? 5.027 7.292 -26.894 1.00 0.00 ? 42 HIS A C 2 ATOM 1219 O O . HIS A 1 42 ? 5.895 8.159 -26.782 1.00 0.00 ? 42 HIS A O 2 ATOM 1220 C CB . HIS A 1 42 ? 3.670 8.614 -25.261 1.00 0.00 ? 42 HIS A CB 2 ATOM 1221 C CG . HIS A 1 42 ? 2.335 9.246 -25.013 1.00 0.00 ? 42 HIS A CG 2 ATOM 1222 N ND1 . HIS A 1 42 ? 1.143 8.567 -25.152 1.00 0.00 ? 42 HIS A ND1 2 ATOM 1223 C CD2 . HIS A 1 42 ? 2.007 10.503 -24.631 1.00 0.00 ? 42 HIS A CD2 2 ATOM 1224 C CE1 . HIS A 1 42 ? 0.140 9.379 -24.869 1.00 0.00 ? 42 HIS A CE1 2 ATOM 1225 N NE2 . HIS A 1 42 ? 0.638 10.560 -24.549 1.00 0.00 ? 42 HIS A NE2 2 ATOM 1226 H H . HIS A 1 42 ? 3.375 6.042 -24.794 1.00 0.00 ? 42 HIS A H 2 ATOM 1227 H HA . HIS A 1 42 ? 2.961 7.786 -27.102 1.00 0.00 ? 42 HIS A HA 2 ATOM 1228 H HB2 . HIS A 1 42 ? 4.022 8.207 -24.324 1.00 0.00 ? 42 HIS A HB2 2 ATOM 1229 H HB3 . HIS A 1 42 ? 4.348 9.387 -25.590 1.00 0.00 ? 42 HIS A HB3 2 ATOM 1230 H HD1 . HIS A 1 42 ? 1.046 7.630 -25.421 1.00 0.00 ? 42 HIS A HD1 2 ATOM 1231 H HD2 . HIS A 1 42 ? 2.696 11.312 -24.428 1.00 0.00 ? 42 HIS A HD2 2 ATOM 1232 H HE1 . HIS A 1 42 ? -0.908 9.122 -24.893 1.00 0.00 ? 42 HIS A HE1 2 ATOM 1233 N N . CYS A 1 43 ? 5.234 6.139 -27.520 1.00 0.00 ? 43 CYS A N 2 ATOM 1234 C CA . CYS A 1 43 ? 6.521 5.816 -28.124 1.00 0.00 ? 43 CYS A CA 2 ATOM 1235 C C . CYS A 1 43 ? 6.724 6.595 -29.420 1.00 0.00 ? 43 CYS A C 2 ATOM 1236 O O . CYS A 1 43 ? 7.867 6.849 -29.798 1.00 0.00 ? 43 CYS A O 2 ATOM 1237 C CB . CYS A 1 43 ? 6.617 4.314 -28.398 1.00 0.00 ? 43 CYS A CB 2 ATOM 1238 S SG . CYS A 1 43 ? 5.382 3.694 -29.586 1.00 0.00 ? 43 CYS A SG 2 ATOM 1239 H H . CYS A 1 43 ? 4.503 5.487 -27.577 1.00 0.00 ? 43 CYS A H 2 ATOM 1240 H HA . CYS A 1 43 ? 7.295 6.096 -27.426 1.00 0.00 ? 43 CYS A HA 2 ATOM 1241 H HB2 . CYS A 1 43 ? 7.596 4.091 -28.797 1.00 0.00 ? 43 CYS A HB2 2 ATOM 1242 H HB3 . CYS A 1 43 ? 6.481 3.777 -27.471 1.00 0.00 ? 43 CYS A HB3 2 HETATM 1243 C C1 . NAG B 2 . ? 6.214 19.253 -20.369 1.00 0.00 ? 101 NAG A C1 2 HETATM 1244 C C2 . NAG B 2 . ? 6.681 20.178 -19.245 1.00 0.00 ? 101 NAG A C2 2 HETATM 1245 C C3 . NAG B 2 . ? 7.197 21.486 -19.853 1.00 0.00 ? 101 NAG A C3 2 HETATM 1246 C C4 . NAG B 2 . ? 8.258 21.151 -20.908 1.00 0.00 ? 101 NAG A C4 2 HETATM 1247 C C5 . NAG B 2 . ? 7.671 20.152 -21.907 1.00 0.00 ? 101 NAG A C5 2 HETATM 1248 C C6 . NAG B 2 . ? 8.714 19.837 -22.982 1.00 0.00 ? 101 NAG A C6 2 HETATM 1249 C C7 . NAG B 2 . ? 5.326 19.671 -17.284 1.00 0.00 ? 101 NAG A C7 2 HETATM 1250 C C8 . NAG B 2 . ? 4.173 19.965 -16.361 1.00 0.00 ? 101 NAG A C8 2 HETATM 1251 N N2 . NAG B 2 . ? 5.560 20.465 -18.348 1.00 0.00 ? 101 NAG A N2 2 HETATM 1252 O O3 . NAG B 2 . ? 7.777 22.302 -18.834 1.00 0.00 ? 101 NAG A O3 2 HETATM 1253 O O4 . NAG B 2 . ? 8.646 22.342 -21.596 1.00 0.00 ? 101 NAG A O4 2 HETATM 1254 O O5 . NAG B 2 . ? 7.308 18.950 -21.231 1.00 0.00 ? 101 NAG A O5 2 HETATM 1255 O O6 . NAG B 2 . ? 8.167 18.908 -23.919 1.00 0.00 ? 101 NAG A O6 2 HETATM 1256 O O7 . NAG B 2 . ? 6.045 18.718 -17.071 1.00 0.00 ? 101 NAG A O7 2 HETATM 1257 H H1 . NAG B 2 . ? 5.424 19.754 -20.948 1.00 0.00 ? 101 NAG A H1 2 HETATM 1258 H H2 . NAG B 2 . ? 7.486 19.690 -18.675 1.00 0.00 ? 101 NAG A H2 2 HETATM 1259 H H3 . NAG B 2 . ? 6.364 22.035 -20.316 1.00 0.00 ? 101 NAG A H3 2 HETATM 1260 H H4 . NAG B 2 . ? 9.140 20.714 -20.418 1.00 0.00 ? 101 NAG A H4 2 HETATM 1261 H H5 . NAG B 2 . ? 6.777 20.588 -22.376 1.00 0.00 ? 101 NAG A H5 2 HETATM 1262 H H61 . NAG B 2 . ? 9.016 20.762 -23.498 1.00 0.00 ? 101 NAG A H61 2 HETATM 1263 H H62 . NAG B 2 . ? 9.619 19.417 -22.518 1.00 0.00 ? 101 NAG A H62 2 HETATM 1264 H H81 . NAG B 2 . ? 4.234 21.009 -16.020 1.00 0.00 ? 101 NAG A H81 2 HETATM 1265 H H82 . NAG B 2 . ? 3.225 19.810 -16.897 1.00 0.00 ? 101 NAG A H82 2 HETATM 1266 H H83 . NAG B 2 . ? 4.216 19.292 -15.492 1.00 0.00 ? 101 NAG A H83 2 HETATM 1267 H HN2 . NAG B 2 . ? 4.968 21.251 -18.524 1.00 0.00 ? 101 NAG A HN2 2 HETATM 1268 H HO3 . NAG B 2 . ? 8.113 23.153 -19.238 1.00 0.00 ? 101 NAG A HO3 2 HETATM 1269 H HO4 . NAG B 2 . ? 9.597 22.261 -21.893 1.00 0.00 ? 101 NAG A HO4 2 HETATM 1270 H HO6 . NAG B 2 . ? 7.572 18.262 -23.441 1.00 0.00 ? 101 NAG A HO6 2 HETATM 1271 C C1 . NAG C 2 . ? 6.130 1.854 -29.610 1.00 0.00 ? 102 NAG A C1 2 HETATM 1272 C C2 . NAG C 2 . ? 7.030 0.646 -29.344 1.00 0.00 ? 102 NAG A C2 2 HETATM 1273 C C3 . NAG C 2 . ? 6.787 -0.409 -30.429 1.00 0.00 ? 102 NAG A C3 2 HETATM 1274 C C4 . NAG C 2 . ? 5.286 -0.712 -30.491 1.00 0.00 ? 102 NAG A C4 2 HETATM 1275 C C5 . NAG C 2 . ? 4.518 0.600 -30.670 1.00 0.00 ? 102 NAG A C5 2 HETATM 1276 C C6 . NAG C 2 . ? 3.020 0.302 -30.764 1.00 0.00 ? 102 NAG A C6 2 HETATM 1277 C C7 . NAG C 2 . ? 9.039 1.473 -28.241 1.00 0.00 ? 102 NAG A C7 2 HETATM 1278 C C8 . NAG C 2 . ? 10.483 1.902 -28.270 1.00 0.00 ? 102 NAG A C8 2 HETATM 1279 N N2 . NAG C 2 . ? 8.433 1.063 -29.373 1.00 0.00 ? 102 NAG A N2 2 HETATM 1280 O O3 . NAG C 2 . ? 7.504 -1.604 -30.116 1.00 0.00 ? 102 NAG A O3 2 HETATM 1281 O O4 . NAG C 2 . ? 5.014 -1.578 -31.593 1.00 0.00 ? 102 NAG A O4 2 HETATM 1282 O O5 . NAG C 2 . ? 4.762 1.458 -29.557 1.00 0.00 ? 102 NAG A O5 2 HETATM 1283 O O6 . NAG C 2 . ? 2.301 1.525 -30.937 1.00 0.00 ? 102 NAG A O6 2 HETATM 1284 O O7 . NAG C 2 . ? 8.421 1.495 -27.198 1.00 0.00 ? 102 NAG A O7 2 HETATM 1285 H H1 . NAG C 2 . ? 6.353 2.260 -30.608 1.00 0.00 ? 102 NAG A H1 2 HETATM 1286 H H2 . NAG C 2 . ? 6.798 0.222 -28.355 1.00 0.00 ? 102 NAG A H2 2 HETATM 1287 H H3 . NAG C 2 . ? 7.137 -0.029 -31.401 1.00 0.00 ? 102 NAG A H3 2 HETATM 1288 H H4 . NAG C 2 . ? 4.970 -1.204 -29.559 1.00 0.00 ? 102 NAG A H4 2 HETATM 1289 H H5 . NAG C 2 . ? 4.856 1.096 -31.591 1.00 0.00 ? 102 NAG A H5 2 HETATM 1290 H H61 . NAG C 2 . ? 2.822 -0.376 -31.609 1.00 0.00 ? 102 NAG A H61 2 HETATM 1291 H H62 . NAG C 2 . ? 2.679 -0.211 -29.853 1.00 0.00 ? 102 NAG A H62 2 HETATM 1292 H H81 . NAG C 2 . ? 10.993 1.534 -27.368 1.00 0.00 ? 102 NAG A H81 2 HETATM 1293 H H82 . NAG C 2 . ? 10.971 1.485 -29.163 1.00 0.00 ? 102 NAG A H82 2 HETATM 1294 H H83 . NAG C 2 . ? 10.539 3.000 -28.301 1.00 0.00 ? 102 NAG A H83 2 HETATM 1295 H HN2 . NAG C 2 . ? 8.942 1.044 -30.233 1.00 0.00 ? 102 NAG A HN2 2 HETATM 1296 H HO3 . NAG C 2 . ? 7.340 -2.288 -30.826 1.00 0.00 ? 102 NAG A HO3 2 HETATM 1297 H HO4 . NAG C 2 . ? 4.222 -2.150 -31.381 1.00 0.00 ? 102 NAG A HO4 2 HETATM 1298 H HO6 . NAG C 2 . ? 2.746 2.250 -30.412 1.00 0.00 ? 102 NAG A HO6 2 ATOM 1299 N N . LYS A 1 1 ? 2.271 -1.511 -3.475 1.00 0.00 ? 1 LYS A N 3 ATOM 1300 C CA . LYS A 1 1 ? 2.692 -1.104 -4.811 1.00 0.00 ? 1 LYS A CA 3 ATOM 1301 C C . LYS A 1 1 ? 4.213 -1.040 -4.906 1.00 0.00 ? 1 LYS A C 3 ATOM 1302 O O . LYS A 1 1 ? 4.918 -0.946 -3.901 1.00 0.00 ? 1 LYS A O 3 ATOM 1303 C CB . LYS A 1 1 ? 2.090 0.257 -5.165 1.00 0.00 ? 1 LYS A CB 3 ATOM 1304 C CG . LYS A 1 1 ? 0.876 0.168 -6.074 1.00 0.00 ? 1 LYS A CG 3 ATOM 1305 C CD . LYS A 1 1 ? -0.128 1.268 -5.774 1.00 0.00 ? 1 LYS A CD 3 ATOM 1306 C CE . LYS A 1 1 ? -1.554 0.738 -5.780 1.00 0.00 ? 1 LYS A CE 3 ATOM 1307 N NZ . LYS A 1 1 ? -2.454 1.561 -4.925 1.00 0.00 ? 1 LYS A NZ 3 ATOM 1308 H H1 . LYS A 1 1 ? 1.569 -2.190 -3.382 1.00 0.00 ? 1 LYS A H1 3 ATOM 1309 H HA . LYS A 1 1 ? 2.330 -1.842 -5.512 1.00 0.00 ? 1 LYS A HA 3 ATOM 1310 H HB2 . LYS A 1 1 ? 1.794 0.755 -4.253 1.00 0.00 ? 1 LYS A HB2 3 ATOM 1311 H HB3 . LYS A 1 1 ? 2.843 0.852 -5.662 1.00 0.00 ? 1 LYS A HB3 3 ATOM 1312 H HG2 . LYS A 1 1 ? 1.199 0.260 -7.101 1.00 0.00 ? 1 LYS A HG2 3 ATOM 1313 H HG3 . LYS A 1 1 ? 0.399 -0.791 -5.930 1.00 0.00 ? 1 LYS A HG3 3 ATOM 1314 H HD2 . LYS A 1 1 ? 0.086 1.683 -4.800 1.00 0.00 ? 1 LYS A HD2 3 ATOM 1315 H HD3 . LYS A 1 1 ? -0.037 2.041 -6.525 1.00 0.00 ? 1 LYS A HD3 3 ATOM 1316 H HE2 . LYS A 1 1 ? -1.924 0.750 -6.793 1.00 0.00 ? 1 LYS A HE2 3 ATOM 1317 H HE3 . LYS A 1 1 ? -1.548 -0.276 -5.410 1.00 0.00 ? 1 LYS A HE3 3 ATOM 1318 H HZ1 . LYS A 1 1 ? -2.981 2.239 -5.510 1.00 0.00 ? 1 LYS A HZ1 3 ATOM 1319 H HZ2 . LYS A 1 1 ? -1.896 2.086 -4.221 1.00 0.00 ? 1 LYS A HZ2 3 ATOM 1320 H HZ3 . LYS A 1 1 ? -3.131 0.948 -4.427 1.00 0.00 ? 1 LYS A HZ3 3 ATOM 1321 N N . PRO A 1 2 ? 4.732 -1.089 -6.141 1.00 0.00 ? 2 PRO A N 3 ATOM 1322 C CA . PRO A 1 2 ? 6.175 -1.035 -6.396 1.00 0.00 ? 2 PRO A CA 3 ATOM 1323 C C . PRO A 1 2 ? 6.766 0.338 -6.097 1.00 0.00 ? 2 PRO A C 3 ATOM 1324 O O . PRO A 1 2 ? 6.108 1.191 -5.501 1.00 0.00 ? 2 PRO A O 3 ATOM 1325 C CB . PRO A 1 2 ? 6.283 -1.349 -7.891 1.00 0.00 ? 2 PRO A CB 3 ATOM 1326 C CG . PRO A 1 2 ? 4.969 -0.937 -8.460 1.00 0.00 ? 2 PRO A CG 3 ATOM 1327 C CD . PRO A 1 2 ? 3.951 -1.200 -7.385 1.00 0.00 ? 2 PRO A CD 3 ATOM 1328 H HA . PRO A 1 2 ? 6.706 -1.785 -5.830 1.00 0.00 ? 2 PRO A HA 3 ATOM 1329 H HB2 . PRO A 1 2 ? 7.096 -0.782 -8.322 1.00 0.00 ? 2 PRO A HB2 3 ATOM 1330 H HB3 . PRO A 1 2 ? 6.459 -2.405 -8.029 1.00 0.00 ? 2 PRO A HB3 3 ATOM 1331 H HG2 . PRO A 1 2 ? 4.989 0.113 -8.709 1.00 0.00 ? 2 PRO A HG2 3 ATOM 1332 H HG3 . PRO A 1 2 ? 4.748 -1.528 -9.337 1.00 0.00 ? 2 PRO A HG3 3 ATOM 1333 H HD2 . PRO A 1 2 ? 3.168 -0.456 -7.416 1.00 0.00 ? 2 PRO A HD2 3 ATOM 1334 H HD3 . PRO A 1 2 ? 3.536 -2.191 -7.491 1.00 0.00 ? 2 PRO A HD3 3 ATOM 1335 N N . ALA A 1 3 ? 8.010 0.546 -6.514 1.00 0.00 ? 3 ALA A N 3 ATOM 1336 C CA . ALA A 1 3 ? 8.688 1.817 -6.292 1.00 0.00 ? 3 ALA A CA 3 ATOM 1337 C C . ALA A 1 3 ? 8.436 2.783 -7.444 1.00 0.00 ? 3 ALA A C 3 ATOM 1338 O O . ALA A 1 3 ? 9.078 3.828 -7.543 1.00 0.00 ? 3 ALA A O 3 ATOM 1339 C CB . ALA A 1 3 ? 10.182 1.593 -6.106 1.00 0.00 ? 3 ALA A CB 3 ATOM 1340 H H . ALA A 1 3 ? 8.483 -0.173 -6.983 1.00 0.00 ? 3 ALA A H 3 ATOM 1341 H HA . ALA A 1 3 ? 8.299 2.249 -5.381 1.00 0.00 ? 3 ALA A HA 3 ATOM 1342 H HB1 . ALA A 1 3 ? 10.661 1.548 -7.074 1.00 0.00 ? 3 ALA A HB1 3 ATOM 1343 H HB2 . ALA A 1 3 ? 10.600 2.408 -5.534 1.00 0.00 ? 3 ALA A HB2 3 ATOM 1344 H HB3 . ALA A 1 3 ? 10.344 0.663 -5.581 1.00 0.00 ? 3 ALA A HB3 3 ATOM 1345 N N . TRP A 1 4 ? 7.497 2.426 -8.313 1.00 0.00 ? 4 TRP A N 3 ATOM 1346 C CA . TRP A 1 4 ? 7.160 3.262 -9.460 1.00 0.00 ? 4 TRP A CA 3 ATOM 1347 C C . TRP A 1 4 ? 5.838 3.988 -9.235 1.00 0.00 ? 4 TRP A C 3 ATOM 1348 O O . TRP A 1 4 ? 5.711 5.175 -9.538 1.00 0.00 ? 4 TRP A O 3 ATOM 1349 C CB . TRP A 1 4 ? 7.080 2.413 -10.730 1.00 0.00 ? 4 TRP A CB 3 ATOM 1350 C CG . TRP A 1 4 ? 7.797 1.102 -10.614 1.00 0.00 ? 4 TRP A CG 3 ATOM 1351 C CD1 . TRP A 1 4 ? 9.077 0.904 -10.181 1.00 0.00 ? 4 TRP A CD1 3 ATOM 1352 C CD2 . TRP A 1 4 ? 7.276 -0.191 -10.938 1.00 0.00 ? 4 TRP A CD2 3 ATOM 1353 N NE1 . TRP A 1 4 ? 9.383 -0.435 -10.216 1.00 0.00 ? 4 TRP A NE1 3 ATOM 1354 C CE2 . TRP A 1 4 ? 8.295 -1.128 -10.676 1.00 0.00 ? 4 TRP A CE2 3 ATOM 1355 C CE3 . TRP A 1 4 ? 6.047 -0.649 -11.421 1.00 0.00 ? 4 TRP A CE3 3 ATOM 1356 C CZ2 . TRP A 1 4 ? 8.120 -2.494 -10.883 1.00 0.00 ? 4 TRP A CZ2 3 ATOM 1357 C CZ3 . TRP A 1 4 ? 5.876 -2.005 -11.626 1.00 0.00 ? 4 TRP A CZ3 3 ATOM 1358 C CH2 . TRP A 1 4 ? 6.907 -2.915 -11.357 1.00 0.00 ? 4 TRP A CH2 3 ATOM 1359 H H . TRP A 1 4 ? 7.019 1.581 -8.181 1.00 0.00 ? 4 TRP A H 3 ATOM 1360 H HA . TRP A 1 4 ? 7.944 3.995 -9.576 1.00 0.00 ? 4 TRP A HA 3 ATOM 1361 H HB2 . TRP A 1 4 ? 6.044 2.208 -10.954 1.00 0.00 ? 4 TRP A HB2 3 ATOM 1362 H HB3 . TRP A 1 4 ? 7.520 2.963 -11.550 1.00 0.00 ? 4 TRP A HB3 3 ATOM 1363 H HD1 . TRP A 1 4 ? 9.741 1.693 -9.863 1.00 0.00 ? 4 TRP A HD1 3 ATOM 1364 H HE1 . TRP A 1 4 ? 10.241 -0.830 -9.953 1.00 0.00 ? 4 TRP A HE1 3 ATOM 1365 H HE3 . TRP A 1 4 ? 5.240 0.036 -11.634 1.00 0.00 ? 4 TRP A HE3 3 ATOM 1366 H HZ2 . TRP A 1 4 ? 8.905 -3.208 -10.679 1.00 0.00 ? 4 TRP A HZ2 3 ATOM 1367 H HZ3 . TRP A 1 4 ? 4.933 -2.378 -12.000 1.00 0.00 ? 4 TRP A HZ3 3 ATOM 1368 H HH2 . TRP A 1 4 ? 6.729 -3.964 -11.532 1.00 0.00 ? 4 TRP A HH2 3 ATOM 1369 N N . CYS A 1 5 ? 4.856 3.268 -8.702 1.00 0.00 ? 5 CYS A N 3 ATOM 1370 C CA . CYS A 1 5 ? 3.543 3.844 -8.436 1.00 0.00 ? 5 CYS A CA 3 ATOM 1371 C C . CYS A 1 5 ? 3.439 4.315 -6.989 1.00 0.00 ? 5 CYS A C 3 ATOM 1372 O O . CYS A 1 5 ? 4.436 4.371 -6.270 1.00 0.00 ? 5 CYS A O 3 ATOM 1373 C CB . CYS A 1 5 ? 2.445 2.820 -8.731 1.00 0.00 ? 5 CYS A CB 3 ATOM 1374 S SG . CYS A 1 5 ? 2.678 1.909 -10.292 1.00 0.00 ? 5 CYS A SG 3 ATOM 1375 H H . CYS A 1 5 ? 5.018 2.326 -8.482 1.00 0.00 ? 5 CYS A H 3 ATOM 1376 H HA . CYS A 1 5 ? 3.415 4.694 -9.089 1.00 0.00 ? 5 CYS A HA 3 ATOM 1377 H HB2 . CYS A 1 5 ? 2.415 2.095 -7.931 1.00 0.00 ? 5 CYS A HB2 3 ATOM 1378 H HB3 . CYS A 1 5 ? 1.495 3.329 -8.786 1.00 0.00 ? 5 CYS A HB3 3 ATOM 1379 N N . TRP A 1 6 ? 2.225 4.652 -6.569 1.00 0.00 ? 6 TRP A N 3 ATOM 1380 C CA . TRP A 1 6 ? 1.989 5.118 -5.207 1.00 0.00 ? 6 TRP A CA 3 ATOM 1381 C C . TRP A 1 6 ? 0.558 4.824 -4.770 1.00 0.00 ? 6 TRP A C 3 ATOM 1382 O O . TRP A 1 6 ? 0.331 4.220 -3.722 1.00 0.00 ? 6 TRP A O 3 ATOM 1383 C CB . TRP A 1 6 ? 2.269 6.618 -5.104 1.00 0.00 ? 6 TRP A CB 3 ATOM 1384 C CG . TRP A 1 6 ? 3.019 6.999 -3.863 1.00 0.00 ? 6 TRP A CG 3 ATOM 1385 C CD1 . TRP A 1 6 ? 4.338 7.340 -3.775 1.00 0.00 ? 6 TRP A CD1 3 ATOM 1386 C CD2 . TRP A 1 6 ? 2.493 7.076 -2.534 1.00 0.00 ? 6 TRP A CD2 3 ATOM 1387 N NE1 . TRP A 1 6 ? 4.664 7.624 -2.471 1.00 0.00 ? 6 TRP A NE1 3 ATOM 1388 C CE2 . TRP A 1 6 ? 3.549 7.470 -1.690 1.00 0.00 ? 6 TRP A CE2 3 ATOM 1389 C CE3 . TRP A 1 6 ? 1.232 6.853 -1.974 1.00 0.00 ? 6 TRP A CE3 3 ATOM 1390 C CZ2 . TRP A 1 6 ? 3.382 7.644 -0.319 1.00 0.00 ? 6 TRP A CZ2 3 ATOM 1391 C CZ3 . TRP A 1 6 ? 1.067 7.025 -0.613 1.00 0.00 ? 6 TRP A CZ3 3 ATOM 1392 C CH2 . TRP A 1 6 ? 2.137 7.418 0.202 1.00 0.00 ? 6 TRP A CH2 3 ATOM 1393 H H . TRP A 1 6 ? 1.468 4.586 -7.189 1.00 0.00 ? 6 TRP A H 3 ATOM 1394 H HA . TRP A 1 6 ? 2.668 4.589 -4.554 1.00 0.00 ? 6 TRP A HA 3 ATOM 1395 H HB2 . TRP A 1 6 ? 2.855 6.928 -5.956 1.00 0.00 ? 6 TRP A HB2 3 ATOM 1396 H HB3 . TRP A 1 6 ? 1.330 7.153 -5.104 1.00 0.00 ? 6 TRP A HB3 3 ATOM 1397 H HD1 . TRP A 1 6 ? 5.015 7.374 -4.615 1.00 0.00 ? 6 TRP A HD1 3 ATOM 1398 H HE1 . TRP A 1 6 ? 5.551 7.894 -2.152 1.00 0.00 ? 6 TRP A HE1 3 ATOM 1399 H HE3 . TRP A 1 6 ? 0.395 6.550 -2.587 1.00 0.00 ? 6 TRP A HE3 3 ATOM 1400 H HZ2 . TRP A 1 6 ? 4.196 7.947 0.323 1.00 0.00 ? 6 TRP A HZ2 3 ATOM 1401 H HZ3 . TRP A 1 6 ? 0.100 6.856 -0.163 1.00 0.00 ? 6 TRP A HZ3 3 ATOM 1402 H HH2 . TRP A 1 6 ? 1.962 7.540 1.260 1.00 0.00 ? 6 TRP A HH2 3 ATOM 1403 N N . TYR A 1 7 ? -0.403 5.253 -5.581 1.00 0.00 ? 7 TYR A N 3 ATOM 1404 C CA . TYR A 1 7 ? -1.812 5.038 -5.276 1.00 0.00 ? 7 TYR A CA 3 ATOM 1405 C C . TYR A 1 7 ? -2.683 5.319 -6.497 1.00 0.00 ? 7 TYR A C 3 ATOM 1406 O O . TYR A 1 7 ? -2.183 5.450 -7.615 1.00 0.00 ? 7 TYR A O 3 ATOM 1407 C CB . TYR A 1 7 ? -2.246 5.928 -4.110 1.00 0.00 ? 7 TYR A CB 3 ATOM 1408 C CG . TYR A 1 7 ? -3.135 5.224 -3.110 1.00 0.00 ? 7 TYR A CG 3 ATOM 1409 C CD1 . TYR A 1 7 ? -2.739 4.033 -2.515 1.00 0.00 ? 7 TYR A CD1 3 ATOM 1410 C CD2 . TYR A 1 7 ? -4.372 5.752 -2.759 1.00 0.00 ? 7 TYR A CD2 3 ATOM 1411 C CE1 . TYR A 1 7 ? -3.548 3.387 -1.601 1.00 0.00 ? 7 TYR A CE1 3 ATOM 1412 C CE2 . TYR A 1 7 ? -5.188 5.113 -1.845 1.00 0.00 ? 7 TYR A CE2 3 ATOM 1413 C CZ . TYR A 1 7 ? -4.772 3.931 -1.269 1.00 0.00 ? 7 TYR A CZ 3 ATOM 1414 O OH . TYR A 1 7 ? -5.580 3.291 -0.358 1.00 0.00 ? 7 TYR A OH 3 ATOM 1415 H H . TYR A 1 7 ? -0.159 5.728 -6.402 1.00 0.00 ? 7 TYR A H 3 ATOM 1416 H HA . TYR A 1 7 ? -1.935 4.003 -4.992 1.00 0.00 ? 7 TYR A HA 3 ATOM 1417 H HB2 . TYR A 1 7 ? -1.369 6.276 -3.587 1.00 0.00 ? 7 TYR A HB2 3 ATOM 1418 H HB3 . TYR A 1 7 ? -2.789 6.777 -4.498 1.00 0.00 ? 7 TYR A HB3 3 ATOM 1419 H HD1 . TYR A 1 7 ? -1.780 3.610 -2.777 1.00 0.00 ? 7 TYR A HD1 3 ATOM 1420 H HD2 . TYR A 1 7 ? -4.695 6.678 -3.212 1.00 0.00 ? 7 TYR A HD2 3 ATOM 1421 H HE1 . TYR A 1 7 ? -3.223 2.462 -1.150 1.00 0.00 ? 7 TYR A HE1 3 ATOM 1422 H HE2 . TYR A 1 7 ? -6.146 5.539 -1.585 1.00 0.00 ? 7 TYR A HE2 3 ATOM 1423 H HH . TYR A 1 7 ? -5.310 2.373 -0.280 1.00 0.00 ? 7 TYR A HH 3 ATOM 1424 N N . THR A 1 8 ? -3.990 5.413 -6.275 1.00 0.00 ? 8 THR A N 3 ATOM 1425 C CA . THR A 1 8 ? -4.932 5.679 -7.355 1.00 0.00 ? 8 THR A CA 3 ATOM 1426 C C . THR A 1 8 ? -5.318 7.153 -7.398 1.00 0.00 ? 8 THR A C 3 ATOM 1427 O O . THR A 1 8 ? -6.394 7.510 -7.878 1.00 0.00 ? 8 THR A O 3 ATOM 1428 C CB . THR A 1 8 ? -6.208 4.829 -7.209 1.00 0.00 ? 8 THR A CB 3 ATOM 1429 O OG1 . THR A 1 8 ? -5.872 3.511 -6.762 1.00 0.00 ? 8 THR A OG1 3 ATOM 1430 C CG2 . THR A 1 8 ? -6.957 4.746 -8.530 1.00 0.00 ? 8 THR A CG2 3 ATOM 1431 H H . THR A 1 8 ? -4.328 5.299 -5.362 1.00 0.00 ? 8 THR A H 3 ATOM 1432 H HA . THR A 1 8 ? -4.453 5.415 -8.287 1.00 0.00 ? 8 THR A HA 3 ATOM 1433 H HB . THR A 1 8 ? -6.851 5.296 -6.476 1.00 0.00 ? 8 THR A HB 3 ATOM 1434 H HG1 . THR A 1 8 ? -6.592 2.910 -6.967 1.00 0.00 ? 8 THR A HG1 3 ATOM 1435 H HG21 . THR A 1 8 ? -6.320 5.098 -9.327 1.00 0.00 ? 8 THR A HG21 3 ATOM 1436 H HG22 . THR A 1 8 ? -7.844 5.361 -8.481 1.00 0.00 ? 8 THR A HG22 3 ATOM 1437 H HG23 . THR A 1 8 ? -7.240 3.722 -8.720 1.00 0.00 ? 8 THR A HG23 3 ATOM 1438 N N . LEU A 1 9 ? -4.433 8.006 -6.893 1.00 0.00 ? 9 LEU A N 3 ATOM 1439 C CA . LEU A 1 9 ? -4.681 9.443 -6.874 1.00 0.00 ? 9 LEU A CA 3 ATOM 1440 C C . LEU A 1 9 ? -4.721 10.008 -8.290 1.00 0.00 ? 9 LEU A C 3 ATOM 1441 O O . LEU A 1 9 ? -5.403 10.997 -8.556 1.00 0.00 ? 9 LEU A O 3 ATOM 1442 C CB . LEU A 1 9 ? -3.601 10.156 -6.059 1.00 0.00 ? 9 LEU A CB 3 ATOM 1443 C CG . LEU A 1 9 ? -3.922 10.394 -4.582 1.00 0.00 ? 9 LEU A CG 3 ATOM 1444 C CD1 . LEU A 1 9 ? -3.821 9.095 -3.799 1.00 0.00 ? 9 LEU A CD1 3 ATOM 1445 C CD2 . LEU A 1 9 ? -2.990 11.445 -3.997 1.00 0.00 ? 9 LEU A CD2 3 ATOM 1446 H H . LEU A 1 9 ? -3.593 7.662 -6.524 1.00 0.00 ? 9 LEU A H 3 ATOM 1447 H HA . LEU A 1 9 ? -5.641 9.608 -6.407 1.00 0.00 ? 9 LEU A HA 3 ATOM 1448 H HB2 . LEU A 1 9 ? -2.702 9.562 -6.110 1.00 0.00 ? 9 LEU A HB2 3 ATOM 1449 H HB3 . LEU A 1 9 ? -3.422 11.118 -6.518 1.00 0.00 ? 9 LEU A HB3 3 ATOM 1450 H HG . LEU A 1 9 ? -4.936 10.759 -4.495 1.00 0.00 ? 9 LEU A HG 3 ATOM 1451 H HD11 . LEU A 1 9 ? -4.357 9.194 -2.867 1.00 0.00 ? 9 LEU A HD11 3 ATOM 1452 H HD12 . LEU A 1 9 ? -2.784 8.876 -3.596 1.00 0.00 ? 9 LEU A HD12 3 ATOM 1453 H HD13 . LEU A 1 9 ? -4.252 8.291 -4.378 1.00 0.00 ? 9 LEU A HD13 3 ATOM 1454 H HD21 . LEU A 1 9 ? -3.541 12.074 -3.313 1.00 0.00 ? 9 LEU A HD21 3 ATOM 1455 H HD22 . LEU A 1 9 ? -2.584 12.050 -4.795 1.00 0.00 ? 9 LEU A HD22 3 ATOM 1456 H HD23 . LEU A 1 9 ? -2.183 10.958 -3.469 1.00 0.00 ? 9 LEU A HD23 3 ATOM 1457 N N . ALA A 1 10 ? -3.987 9.371 -9.197 1.00 0.00 ? 10 ALA A N 3 ATOM 1458 C CA . ALA A 1 10 ? -3.942 9.806 -10.587 1.00 0.00 ? 10 ALA A CA 3 ATOM 1459 C C . ALA A 1 10 ? -3.317 11.192 -10.708 1.00 0.00 ? 10 ALA A C 3 ATOM 1460 O O . ALA A 1 10 ? -3.974 12.145 -11.126 1.00 0.00 ? 10 ALA A O 3 ATOM 1461 C CB . ALA A 1 10 ? -5.340 9.801 -11.187 1.00 0.00 ? 10 ALA A CB 3 ATOM 1462 H H . ALA A 1 10 ? -3.464 8.588 -8.924 1.00 0.00 ? 10 ALA A H 3 ATOM 1463 H HA . ALA A 1 10 ? -3.337 9.101 -11.138 1.00 0.00 ? 10 ALA A HA 3 ATOM 1464 H HB1 . ALA A 1 10 ? -5.917 9.001 -10.747 1.00 0.00 ? 10 ALA A HB1 3 ATOM 1465 H HB2 . ALA A 1 10 ? -5.822 10.746 -10.985 1.00 0.00 ? 10 ALA A HB2 3 ATOM 1466 H HB3 . ALA A 1 10 ? -5.272 9.652 -12.254 1.00 0.00 ? 10 ALA A HB3 3 ATOM 1467 N N . MET A 1 11 ? -2.045 11.297 -10.338 1.00 0.00 ? 11 MET A N 3 ATOM 1468 C CA . MET A 1 11 ? -1.331 12.567 -10.406 1.00 0.00 ? 11 MET A CA 3 ATOM 1469 C C . MET A 1 11 ? -1.244 13.065 -11.845 1.00 0.00 ? 11 MET A C 3 ATOM 1470 O O . MET A 1 11 ? -1.873 14.059 -12.209 1.00 0.00 ? 11 MET A O 3 ATOM 1471 C CB . MET A 1 11 ? 0.073 12.420 -9.818 1.00 0.00 ? 11 MET A CB 3 ATOM 1472 C CG . MET A 1 11 ? 0.093 11.761 -8.448 1.00 0.00 ? 11 MET A CG 3 ATOM 1473 S SD . MET A 1 11 ? 0.925 10.162 -8.458 1.00 0.00 ? 11 MET A SD 3 ATOM 1474 C CE . MET A 1 11 ? 0.203 9.396 -7.009 1.00 0.00 ? 11 MET A CE 3 ATOM 1475 H H . MET A 1 11 ? -1.573 10.501 -10.013 1.00 0.00 ? 11 MET A H 3 ATOM 1476 H HA . MET A 1 11 ? -1.883 13.288 -9.821 1.00 0.00 ? 11 MET A HA 3 ATOM 1477 H HB2 . MET A 1 11 ? 0.671 11.821 -10.490 1.00 0.00 ? 11 MET A HB2 3 ATOM 1478 H HB3 . MET A 1 11 ? 0.518 13.399 -9.729 1.00 0.00 ? 11 MET A HB3 3 ATOM 1479 H HG2 . MET A 1 11 ? 0.606 12.413 -7.757 1.00 0.00 ? 11 MET A HG2 3 ATOM 1480 H HG3 . MET A 1 11 ? -0.925 11.620 -8.118 1.00 0.00 ? 11 MET A HG3 3 ATOM 1481 H HE1 . MET A 1 11 ? -0.645 9.978 -6.679 1.00 0.00 ? 11 MET A HE1 3 ATOM 1482 H HE2 . MET A 1 11 ? -0.121 8.395 -7.254 1.00 0.00 ? 11 MET A HE2 3 ATOM 1483 H HE3 . MET A 1 11 ? 0.940 9.353 -6.220 1.00 0.00 ? 11 MET A HE3 3 ATOM 1484 N N . CYS A 1 12 ? -0.459 12.368 -12.661 1.00 0.00 ? 12 CYS A N 3 ATOM 1485 C CA . CYS A 1 12 ? -0.288 12.739 -14.060 1.00 0.00 ? 12 CYS A CA 3 ATOM 1486 C C . CYS A 1 12 ? -1.639 12.863 -14.759 1.00 0.00 ? 12 CYS A C 3 ATOM 1487 O O . CYS A 1 12 ? -2.633 12.289 -14.318 1.00 0.00 ? 12 CYS A O 3 ATOM 1488 C CB . CYS A 1 12 ? 0.579 11.705 -14.782 1.00 0.00 ? 12 CYS A CB 3 ATOM 1489 S SG . CYS A 1 12 ? -0.259 10.118 -15.090 1.00 0.00 ? 12 CYS A SG 3 ATOM 1490 H H . CYS A 1 12 ? 0.017 11.584 -12.313 1.00 0.00 ? 12 CYS A H 3 ATOM 1491 H HA . CYS A 1 12 ? 0.208 13.697 -14.091 1.00 0.00 ? 12 CYS A HA 3 ATOM 1492 H HB2 . CYS A 1 12 ? 0.883 12.106 -15.737 1.00 0.00 ? 12 CYS A HB2 3 ATOM 1493 H HB3 . CYS A 1 12 ? 1.456 11.504 -14.185 1.00 0.00 ? 12 CYS A HB3 3 ATOM 1494 N N . GLY A 1 13 ? -1.666 13.617 -15.854 1.00 0.00 ? 13 GLY A N 3 ATOM 1495 C CA . GLY A 1 13 ? -2.899 13.803 -16.597 1.00 0.00 ? 13 GLY A CA 3 ATOM 1496 C C . GLY A 1 13 ? -3.665 15.032 -16.151 1.00 0.00 ? 13 GLY A C 3 ATOM 1497 O O . GLY A 1 13 ? -4.488 15.563 -16.896 1.00 0.00 ? 13 GLY A O 3 ATOM 1498 H H . GLY A 1 13 ? -0.842 14.051 -16.160 1.00 0.00 ? 13 GLY A H 3 ATOM 1499 H HA2 . GLY A 1 13 ? -2.663 13.899 -17.646 1.00 0.00 ? 13 GLY A HA2 3 ATOM 1500 H HA3 . GLY A 1 13 ? -3.524 12.933 -16.457 1.00 0.00 ? 13 GLY A HA3 3 ATOM 1501 N N . ALA A 1 14 ? -3.395 15.485 -14.931 1.00 0.00 ? 14 ALA A N 3 ATOM 1502 C CA . ALA A 1 14 ? -4.065 16.660 -14.387 1.00 0.00 ? 14 ALA A CA 3 ATOM 1503 C C . ALA A 1 14 ? -3.098 17.832 -14.256 1.00 0.00 ? 14 ALA A C 3 ATOM 1504 O O . ALA A 1 14 ? -3.287 18.715 -13.421 1.00 0.00 ? 14 ALA A O 3 ATOM 1505 C CB . ALA A 1 14 ? -4.688 16.335 -13.038 1.00 0.00 ? 14 ALA A CB 3 ATOM 1506 H H . ALA A 1 14 ? -2.728 15.019 -14.385 1.00 0.00 ? 14 ALA A H 3 ATOM 1507 H HA . ALA A 1 14 ? -4.859 16.936 -15.066 1.00 0.00 ? 14 ALA A HA 3 ATOM 1508 H HB1 . ALA A 1 14 ? -5.099 17.236 -12.605 1.00 0.00 ? 14 ALA A HB1 3 ATOM 1509 H HB2 . ALA A 1 14 ? -5.474 15.607 -13.171 1.00 0.00 ? 14 ALA A HB2 3 ATOM 1510 H HB3 . ALA A 1 14 ? -3.932 15.932 -12.380 1.00 0.00 ? 14 ALA A HB3 3 ATOM 1511 N N . GLY A 1 15 ? -2.061 17.833 -15.088 1.00 0.00 ? 15 GLY A N 3 ATOM 1512 C CA . GLY A 1 15 ? -1.079 18.902 -15.049 1.00 0.00 ? 15 GLY A CA 3 ATOM 1513 C C . GLY A 1 15 ? 0.218 18.473 -14.392 1.00 0.00 ? 15 GLY A C 3 ATOM 1514 O O . GLY A 1 15 ? 1.271 19.063 -14.637 1.00 0.00 ? 15 GLY A O 3 ATOM 1515 H H . GLY A 1 15 ? -1.961 17.103 -15.734 1.00 0.00 ? 15 GLY A H 3 ATOM 1516 H HA2 . GLY A 1 15 ? -0.871 19.222 -16.059 1.00 0.00 ? 15 GLY A HA2 3 ATOM 1517 H HA3 . GLY A 1 15 ? -1.491 19.733 -14.496 1.00 0.00 ? 15 GLY A HA3 3 ATOM 1518 N N . TYR A 1 16 ? 0.143 17.445 -13.554 1.00 0.00 ? 16 TYR A N 3 ATOM 1519 C CA . TYR A 1 16 ? 1.320 16.940 -12.857 1.00 0.00 ? 16 TYR A CA 3 ATOM 1520 C C . TYR A 1 16 ? 2.441 16.618 -13.841 1.00 0.00 ? 16 TYR A C 3 ATOM 1521 O O . TYR A 1 16 ? 3.622 16.746 -13.518 1.00 0.00 ? 16 TYR A O 3 ATOM 1522 C CB . TYR A 1 16 ? 0.963 15.693 -12.047 1.00 0.00 ? 16 TYR A CB 3 ATOM 1523 C CG . TYR A 1 16 ? 0.671 15.979 -10.591 1.00 0.00 ? 16 TYR A CG 3 ATOM 1524 C CD1 . TYR A 1 16 ? -0.593 16.384 -10.182 1.00 0.00 ? 16 TYR A CD1 3 ATOM 1525 C CD2 . TYR A 1 16 ? 1.660 15.843 -9.624 1.00 0.00 ? 16 TYR A CD2 3 ATOM 1526 C CE1 . TYR A 1 16 ? -0.864 16.647 -8.854 1.00 0.00 ? 16 TYR A CE1 3 ATOM 1527 C CE2 . TYR A 1 16 ? 1.398 16.102 -8.293 1.00 0.00 ? 16 TYR A CE2 3 ATOM 1528 C CZ . TYR A 1 16 ? 0.134 16.505 -7.913 1.00 0.00 ? 16 TYR A CZ 3 ATOM 1529 O OH . TYR A 1 16 ? -0.132 16.765 -6.588 1.00 0.00 ? 16 TYR A OH 3 ATOM 1530 H H . TYR A 1 16 ? -0.724 17.016 -13.400 1.00 0.00 ? 16 TYR A H 3 ATOM 1531 H HA . TYR A 1 16 ? 1.661 17.711 -12.181 1.00 0.00 ? 16 TYR A HA 3 ATOM 1532 H HB2 . TYR A 1 16 ? 0.087 15.232 -12.476 1.00 0.00 ? 16 TYR A HB2 3 ATOM 1533 H HB3 . TYR A 1 16 ? 1.788 14.996 -12.089 1.00 0.00 ? 16 TYR A HB3 3 ATOM 1534 H HD1 . TYR A 1 16 ? -1.373 16.494 -10.922 1.00 0.00 ? 16 TYR A HD1 3 ATOM 1535 H HD2 . TYR A 1 16 ? 2.649 15.528 -9.925 1.00 0.00 ? 16 TYR A HD2 3 ATOM 1536 H HE1 . TYR A 1 16 ? -1.853 16.962 -8.555 1.00 0.00 ? 16 TYR A HE1 3 ATOM 1537 H HE2 . TYR A 1 16 ? 2.179 15.991 -7.556 1.00 0.00 ? 16 TYR A HE2 3 ATOM 1538 H HH . TYR A 1 16 ? 0.411 17.498 -6.290 1.00 0.00 ? 16 TYR A HH 3 ATOM 1539 N N . ASP A 1 17 ? 2.061 16.200 -15.043 1.00 0.00 ? 17 ASP A N 3 ATOM 1540 C CA . ASP A 1 17 ? 3.032 15.860 -16.077 1.00 0.00 ? 17 ASP A CA 3 ATOM 1541 C C . ASP A 1 17 ? 2.774 16.662 -17.349 1.00 0.00 ? 17 ASP A C 3 ATOM 1542 O O . ASP A 1 17 ? 1.908 17.536 -17.378 1.00 0.00 ? 17 ASP A O 3 ATOM 1543 C CB . ASP A 1 17 ? 2.979 14.363 -16.384 1.00 0.00 ? 17 ASP A CB 3 ATOM 1544 C CG . ASP A 1 17 ? 3.348 13.512 -15.184 1.00 0.00 ? 17 ASP A CG 3 ATOM 1545 O OD1 . ASP A 1 17 ? 2.690 13.654 -14.132 1.00 0.00 ? 17 ASP A OD1 3 ATOM 1546 O OD2 . ASP A 1 17 ? 4.295 12.706 -15.296 1.00 0.00 ? 17 ASP A OD2 3 ATOM 1547 H H . ASP A 1 17 ? 1.104 16.118 -15.240 1.00 0.00 ? 17 ASP A H 3 ATOM 1548 H HA . ASP A 1 17 ? 4.014 16.107 -15.703 1.00 0.00 ? 17 ASP A HA 3 ATOM 1549 H HB2 . ASP A 1 17 ? 1.978 14.100 -16.693 1.00 0.00 ? 17 ASP A HB2 3 ATOM 1550 H HB3 . ASP A 1 17 ? 3.669 14.142 -17.185 1.00 0.00 ? 17 ASP A HB3 3 ATOM 1551 N N . SER A 1 18 ? 3.533 16.359 -18.397 1.00 0.00 ? 18 SER A N 3 ATOM 1552 C CA . SER A 1 18 ? 3.390 17.055 -19.670 1.00 0.00 ? 18 SER A CA 3 ATOM 1553 C C . SER A 1 18 ? 2.266 16.443 -20.501 1.00 0.00 ? 18 SER A C 3 ATOM 1554 O O . SER A 1 18 ? 2.594 15.477 -21.188 1.00 0.00 ? 18 SER A O 3 ATOM 1555 C CB . SER A 1 18 ? 4.704 17.005 -20.453 1.00 0.00 ? 18 SER A CB 3 ATOM 1556 O OG . SER A 1 18 ? 5.662 17.890 -19.900 1.00 0.00 ? 18 SER A OG 3 ATOM 1557 H H . SER A 1 18 ? 4.206 15.652 -18.311 1.00 0.00 ? 18 SER A H 3 ATOM 1558 H HA . SER A 1 18 ? 3.146 18.086 -19.459 1.00 0.00 ? 18 SER A HA 3 ATOM 1559 H HB2 . SER A 1 18 ? 5.099 16.001 -20.423 1.00 0.00 ? 18 SER A HB2 3 ATOM 1560 H HB3 . SER A 1 18 ? 4.519 17.289 -21.479 1.00 0.00 ? 18 SER A HB3 3 ATOM 1561 N N . GLY A 1 19 ? 1.131 16.450 -19.783 1.00 0.00 ? 19 GLY A N 3 ATOM 1562 C CA . GLY A 1 19 ? 0.215 15.324 -19.819 1.00 0.00 ? 19 GLY A CA 3 ATOM 1563 C C . GLY A 1 19 ? 0.869 14.062 -20.346 1.00 0.00 ? 19 GLY A C 3 ATOM 1564 O O . GLY A 1 19 ? 0.662 13.682 -21.499 1.00 0.00 ? 19 GLY A O 3 ATOM 1565 H H . GLY A 1 19 ? 0.917 17.236 -19.238 1.00 0.00 ? 19 GLY A H 3 ATOM 1566 H HA2 . GLY A 1 19 ? -0.148 15.138 -18.819 1.00 0.00 ? 19 GLY A HA2 3 ATOM 1567 H HA3 . GLY A 1 19 ? -0.621 15.575 -20.454 1.00 0.00 ? 19 GLY A HA3 3 ATOM 1568 N N . THR A 1 20 ? 1.661 13.410 -19.501 1.00 0.00 ? 20 THR A N 3 ATOM 1569 C CA . THR A 1 20 ? 2.349 12.185 -19.889 1.00 0.00 ? 20 THR A CA 3 ATOM 1570 C C . THR A 1 20 ? 2.581 11.280 -18.685 1.00 0.00 ? 20 THR A C 3 ATOM 1571 O O . THR A 1 20 ? 2.933 11.748 -17.602 1.00 0.00 ? 20 THR A O 3 ATOM 1572 C CB . THR A 1 20 ? 3.703 12.489 -20.557 1.00 0.00 ? 20 THR A CB 3 ATOM 1573 O OG1 . THR A 1 20 ? 4.212 11.310 -21.191 1.00 0.00 ? 20 THR A OG1 3 ATOM 1574 C CG2 . THR A 1 20 ? 4.709 12.996 -19.535 1.00 0.00 ? 20 THR A CG2 3 ATOM 1575 H H . THR A 1 20 ? 1.785 13.763 -18.596 1.00 0.00 ? 20 THR A H 3 ATOM 1576 H HA . THR A 1 20 ? 1.727 11.665 -20.604 1.00 0.00 ? 20 THR A HA 3 ATOM 1577 H HB . THR A 1 20 ? 3.555 13.255 -21.305 1.00 0.00 ? 20 THR A HB 3 ATOM 1578 H HG1 . THR A 1 20 ? 4.988 11.535 -21.711 1.00 0.00 ? 20 THR A HG1 3 ATOM 1579 H HG21 . THR A 1 20 ? 4.887 12.230 -18.795 1.00 0.00 ? 20 THR A HG21 3 ATOM 1580 H HG22 . THR A 1 20 ? 4.318 13.879 -19.052 1.00 0.00 ? 20 THR A HG22 3 ATOM 1581 H HG23 . THR A 1 20 ? 5.636 13.238 -20.032 1.00 0.00 ? 20 THR A HG23 3 ATOM 1582 N N . CYS A 1 21 ? 2.382 9.980 -18.881 1.00 0.00 ? 21 CYS A N 3 ATOM 1583 C CA . CYS A 1 21 ? 2.570 9.008 -17.811 1.00 0.00 ? 21 CYS A CA 3 ATOM 1584 C C . CYS A 1 21 ? 3.429 7.838 -18.283 1.00 0.00 ? 21 CYS A C 3 ATOM 1585 O O . CYS A 1 21 ? 3.931 7.838 -19.407 1.00 0.00 ? 21 CYS A O 3 ATOM 1586 C CB . CYS A 1 21 ? 1.216 8.494 -17.317 1.00 0.00 ? 21 CYS A CB 3 ATOM 1587 S SG . CYS A 1 21 ? -0.020 9.803 -17.041 1.00 0.00 ? 21 CYS A SG 3 ATOM 1588 H H . CYS A 1 21 ? 2.102 9.667 -19.767 1.00 0.00 ? 21 CYS A H 3 ATOM 1589 H HA . CYS A 1 21 ? 3.076 9.504 -16.997 1.00 0.00 ? 21 CYS A HA 3 ATOM 1590 H HB2 . CYS A 1 21 ? 0.811 7.810 -18.048 1.00 0.00 ? 21 CYS A HB2 3 ATOM 1591 H HB3 . CYS A 1 21 ? 1.357 7.972 -16.382 1.00 0.00 ? 21 CYS A HB3 3 ATOM 1592 N N . ASP A 1 22 ? 3.592 6.844 -17.418 1.00 0.00 ? 22 ASP A N 3 ATOM 1593 C CA . ASP A 1 22 ? 4.388 5.667 -17.746 1.00 0.00 ? 22 ASP A CA 3 ATOM 1594 C C . ASP A 1 22 ? 3.900 4.447 -16.972 1.00 0.00 ? 22 ASP A C 3 ATOM 1595 O O . ASP A 1 22 ? 3.230 3.575 -17.526 1.00 0.00 ? 22 ASP A O 3 ATOM 1596 C CB . ASP A 1 22 ? 5.865 5.923 -17.440 1.00 0.00 ? 22 ASP A CB 3 ATOM 1597 C CG . ASP A 1 22 ? 6.692 6.110 -18.697 1.00 0.00 ? 22 ASP A CG 3 ATOM 1598 O OD1 . ASP A 1 22 ? 6.735 7.245 -19.215 1.00 0.00 ? 22 ASP A OD1 3 ATOM 1599 O OD2 . ASP A 1 22 ? 7.296 5.121 -19.163 1.00 0.00 ? 22 ASP A OD2 3 ATOM 1600 H H . ASP A 1 22 ? 3.166 6.902 -16.537 1.00 0.00 ? 22 ASP A H 3 ATOM 1601 H HA . ASP A 1 22 ? 4.277 5.476 -18.803 1.00 0.00 ? 22 ASP A HA 3 ATOM 1602 H HB2 . ASP A 1 22 ? 5.952 6.816 -16.838 1.00 0.00 ? 22 ASP A HB2 3 ATOM 1603 H HB3 . ASP A 1 22 ? 6.263 5.083 -16.891 1.00 0.00 ? 22 ASP A HB3 3 ATOM 1604 N N . TYR A 1 23 ? 4.239 4.392 -15.689 1.00 0.00 ? 23 TYR A N 3 ATOM 1605 C CA . TYR A 1 23 ? 3.838 3.277 -14.839 1.00 0.00 ? 23 TYR A CA 3 ATOM 1606 C C . TYR A 1 23 ? 2.321 3.229 -14.683 1.00 0.00 ? 23 TYR A C 3 ATOM 1607 O O . TYR A 1 23 ? 1.747 2.173 -14.419 1.00 0.00 ? 23 TYR A O 3 ATOM 1608 C CB . TYR A 1 23 ? 4.500 3.392 -13.465 1.00 0.00 ? 23 TYR A CB 3 ATOM 1609 C CG . TYR A 1 23 ? 5.969 3.744 -13.528 1.00 0.00 ? 23 TYR A CG 3 ATOM 1610 C CD1 . TYR A 1 23 ? 6.872 2.921 -14.189 1.00 0.00 ? 23 TYR A CD1 3 ATOM 1611 C CD2 . TYR A 1 23 ? 6.453 4.898 -12.925 1.00 0.00 ? 23 TYR A CD2 3 ATOM 1612 C CE1 . TYR A 1 23 ? 8.216 3.238 -14.248 1.00 0.00 ? 23 TYR A CE1 3 ATOM 1613 C CE2 . TYR A 1 23 ? 7.795 5.224 -12.981 1.00 0.00 ? 23 TYR A CE2 3 ATOM 1614 C CZ . TYR A 1 23 ? 8.672 4.391 -13.643 1.00 0.00 ? 23 TYR A CZ 3 ATOM 1615 O OH . TYR A 1 23 ? 10.009 4.711 -13.700 1.00 0.00 ? 23 TYR A OH 3 ATOM 1616 H H . TYR A 1 23 ? 4.774 5.118 -15.304 1.00 0.00 ? 23 TYR A H 3 ATOM 1617 H HA . TYR A 1 23 ? 4.169 2.364 -15.312 1.00 0.00 ? 23 TYR A HA 3 ATOM 1618 H HB2 . TYR A 1 23 ? 4.000 4.160 -12.895 1.00 0.00 ? 23 TYR A HB2 3 ATOM 1619 H HB3 . TYR A 1 23 ? 4.406 2.448 -12.948 1.00 0.00 ? 23 TYR A HB3 3 ATOM 1620 H HD1 . TYR A 1 23 ? 6.512 2.019 -14.662 1.00 0.00 ? 23 TYR A HD1 3 ATOM 1621 H HD2 . TYR A 1 23 ? 5.764 5.549 -12.406 1.00 0.00 ? 23 TYR A HD2 3 ATOM 1622 H HE1 . TYR A 1 23 ? 8.903 2.586 -14.767 1.00 0.00 ? 23 TYR A HE1 3 ATOM 1623 H HE2 . TYR A 1 23 ? 8.152 6.126 -12.506 1.00 0.00 ? 23 TYR A HE2 3 ATOM 1624 H HH . TYR A 1 23 ? 10.139 5.437 -14.314 1.00 0.00 ? 23 TYR A HH 3 ATOM 1625 N N . MET A 1 24 ? 1.679 4.381 -14.850 1.00 0.00 ? 24 MET A N 3 ATOM 1626 C CA . MET A 1 24 ? 0.228 4.470 -14.730 1.00 0.00 ? 24 MET A CA 3 ATOM 1627 C C . MET A 1 24 ? -0.459 3.624 -15.797 1.00 0.00 ? 24 MET A C 3 ATOM 1628 O O . MET A 1 24 ? -1.423 2.913 -15.513 1.00 0.00 ? 24 MET A O 3 ATOM 1629 C CB . MET A 1 24 ? -0.225 5.927 -14.847 1.00 0.00 ? 24 MET A CB 3 ATOM 1630 C CG . MET A 1 24 ? 0.083 6.761 -13.614 1.00 0.00 ? 24 MET A CG 3 ATOM 1631 S SD . MET A 1 24 ? 1.733 7.487 -13.662 1.00 0.00 ? 24 MET A SD 3 ATOM 1632 C CE . MET A 1 24 ? 2.625 6.374 -12.578 1.00 0.00 ? 24 MET A CE 3 ATOM 1633 H H . MET A 1 24 ? 2.192 5.189 -15.059 1.00 0.00 ? 24 MET A H 3 ATOM 1634 H HA . MET A 1 24 ? -0.047 4.094 -13.756 1.00 0.00 ? 24 MET A HA 3 ATOM 1635 H HB2 . MET A 1 24 ? 0.270 6.379 -15.694 1.00 0.00 ? 24 MET A HB2 3 ATOM 1636 H HB3 . MET A 1 24 ? -1.292 5.948 -15.011 1.00 0.00 ? 24 MET A HB3 3 ATOM 1637 H HG2 . MET A 1 24 ? -0.643 7.557 -13.543 1.00 0.00 ? 24 MET A HG2 3 ATOM 1638 H HG3 . MET A 1 24 ? 0.008 6.129 -12.742 1.00 0.00 ? 24 MET A HG3 3 ATOM 1639 H HE1 . MET A 1 24 ? 2.589 6.752 -11.567 1.00 0.00 ? 24 MET A HE1 3 ATOM 1640 H HE2 . MET A 1 24 ? 2.169 5.396 -12.613 1.00 0.00 ? 24 MET A HE2 3 ATOM 1641 H HE3 . MET A 1 24 ? 3.653 6.305 -12.901 1.00 0.00 ? 24 MET A HE3 3 ATOM 1642 N N . TYR A 1 25 ? 0.043 3.706 -17.024 1.00 0.00 ? 25 TYR A N 3 ATOM 1643 C CA . TYR A 1 25 ? -0.525 2.949 -18.134 1.00 0.00 ? 25 TYR A CA 3 ATOM 1644 C C . TYR A 1 25 ? -0.308 1.452 -17.940 1.00 0.00 ? 25 TYR A C 3 ATOM 1645 O O . TYR A 1 25 ? -0.881 0.632 -18.657 1.00 0.00 ? 25 TYR A O 3 ATOM 1646 C CB . TYR A 1 25 ? 0.098 3.399 -19.456 1.00 0.00 ? 25 TYR A CB 3 ATOM 1647 C CG . TYR A 1 25 ? -0.484 4.687 -19.993 1.00 0.00 ? 25 TYR A CG 3 ATOM 1648 C CD1 . TYR A 1 25 ? -0.485 5.845 -19.227 1.00 0.00 ? 25 TYR A CD1 3 ATOM 1649 C CD2 . TYR A 1 25 ? -1.034 4.745 -21.268 1.00 0.00 ? 25 TYR A CD2 3 ATOM 1650 C CE1 . TYR A 1 25 ? -1.016 7.024 -19.713 1.00 0.00 ? 25 TYR A CE1 3 ATOM 1651 C CE2 . TYR A 1 25 ? -1.567 5.919 -21.764 1.00 0.00 ? 25 TYR A CE2 3 ATOM 1652 C CZ . TYR A 1 25 ? -1.556 7.056 -20.982 1.00 0.00 ? 25 TYR A CZ 3 ATOM 1653 O OH . TYR A 1 25 ? -2.086 8.228 -21.471 1.00 0.00 ? 25 TYR A OH 3 ATOM 1654 H H . TYR A 1 25 ? 0.813 4.290 -17.188 1.00 0.00 ? 25 TYR A H 3 ATOM 1655 H HA . TYR A 1 25 ? -1.586 3.147 -18.161 1.00 0.00 ? 25 TYR A HA 3 ATOM 1656 H HB2 . TYR A 1 25 ? 1.157 3.548 -19.315 1.00 0.00 ? 25 TYR A HB2 3 ATOM 1657 H HB3 . TYR A 1 25 ? -0.056 2.630 -20.199 1.00 0.00 ? 25 TYR A HB3 3 ATOM 1658 H HD1 . TYR A 1 25 ? -0.060 5.817 -18.233 1.00 0.00 ? 25 TYR A HD1 3 ATOM 1659 H HD2 . TYR A 1 25 ? -1.041 3.853 -21.878 1.00 0.00 ? 25 TYR A HD2 3 ATOM 1660 H HE1 . TYR A 1 25 ? -1.008 7.914 -19.102 1.00 0.00 ? 25 TYR A HE1 3 ATOM 1661 H HE2 . TYR A 1 25 ? -1.990 5.945 -22.757 1.00 0.00 ? 25 TYR A HE2 3 ATOM 1662 H HH . TYR A 1 25 ? -2.358 8.786 -20.738 1.00 0.00 ? 25 TYR A HH 3 ATOM 1663 N N . SER A 1 26 ? 0.524 1.103 -16.964 1.00 0.00 ? 26 SER A N 3 ATOM 1664 C CA . SER A 1 26 ? 0.820 -0.296 -16.675 1.00 0.00 ? 26 SER A CA 3 ATOM 1665 C C . SER A 1 26 ? -0.216 -0.886 -15.724 1.00 0.00 ? 26 SER A C 3 ATOM 1666 O O . SER A 1 26 ? 0.089 -1.778 -14.932 1.00 0.00 ? 26 SER A O 3 ATOM 1667 C CB . SER A 1 26 ? 2.219 -0.429 -16.071 1.00 0.00 ? 26 SER A CB 3 ATOM 1668 O OG . SER A 1 26 ? 2.738 -1.733 -16.266 1.00 0.00 ? 26 SER A OG 3 ATOM 1669 H H . SER A 1 26 ? 0.951 1.803 -16.426 1.00 0.00 ? 26 SER A H 3 ATOM 1670 H HA . SER A 1 26 ? 0.787 -0.841 -17.607 1.00 0.00 ? 26 SER A HA 3 ATOM 1671 H HB2 . SER A 1 26 ? 2.881 0.283 -16.540 1.00 0.00 ? 26 SER A HB2 3 ATOM 1672 H HB3 . SER A 1 26 ? 2.170 -0.229 -15.010 1.00 0.00 ? 26 SER A HB3 3 ATOM 1673 H HG . SER A 1 26 ? 3.231 -2.002 -15.488 1.00 0.00 ? 26 SER A HG 3 ATOM 1674 N N . HIS A 1 27 ? -1.442 -0.380 -15.807 1.00 0.00 ? 27 HIS A N 3 ATOM 1675 C CA . HIS A 1 27 ? -2.525 -0.857 -14.954 1.00 0.00 ? 27 HIS A CA 3 ATOM 1676 C C . HIS A 1 27 ? -2.142 -0.754 -13.481 1.00 0.00 ? 27 HIS A C 3 ATOM 1677 O O . HIS A 1 27 ? -2.225 -1.732 -12.737 1.00 0.00 ? 27 HIS A O 3 ATOM 1678 C CB . HIS A 1 27 ? -2.878 -2.303 -15.301 1.00 0.00 ? 27 HIS A CB 3 ATOM 1679 C CG . HIS A 1 27 ? -4.318 -2.641 -15.067 1.00 0.00 ? 27 HIS A CG 3 ATOM 1680 N ND1 . HIS A 1 27 ? -4.724 -3.751 -14.356 1.00 0.00 ? 27 HIS A ND1 3 ATOM 1681 C CD2 . HIS A 1 27 ? -5.451 -2.008 -15.452 1.00 0.00 ? 27 HIS A CD2 3 ATOM 1682 C CE1 . HIS A 1 27 ? -6.044 -3.786 -14.315 1.00 0.00 ? 27 HIS A CE1 3 ATOM 1683 N NE2 . HIS A 1 27 ? -6.509 -2.739 -14.973 1.00 0.00 ? 27 HIS A NE2 3 ATOM 1684 H H . HIS A 1 27 ? -1.623 0.329 -16.458 1.00 0.00 ? 27 HIS A H 3 ATOM 1685 H HA . HIS A 1 27 ? -3.388 -0.232 -15.133 1.00 0.00 ? 27 HIS A HA 3 ATOM 1686 H HB2 . HIS A 1 27 ? -2.662 -2.478 -16.345 1.00 0.00 ? 27 HIS A HB2 3 ATOM 1687 H HB3 . HIS A 1 27 ? -2.277 -2.968 -14.698 1.00 0.00 ? 27 HIS A HB3 3 ATOM 1688 H HD1 . HIS A 1 27 ? -4.133 -4.415 -13.944 1.00 0.00 ? 27 HIS A HD1 3 ATOM 1689 H HD2 . HIS A 1 27 ? -5.511 -1.096 -16.030 1.00 0.00 ? 27 HIS A HD2 3 ATOM 1690 H HE1 . HIS A 1 27 ? -6.642 -4.542 -13.828 1.00 0.00 ? 27 HIS A HE1 3 ATOM 1691 N N . CYS A 1 28 ? -1.720 0.436 -13.066 1.00 0.00 ? 28 CYS A N 3 ATOM 1692 C CA . CYS A 1 28 ? -1.322 0.667 -11.682 1.00 0.00 ? 28 CYS A CA 3 ATOM 1693 C C . CYS A 1 28 ? -2.249 1.676 -11.011 1.00 0.00 ? 28 CYS A C 3 ATOM 1694 O O . CYS A 1 28 ? -2.316 1.753 -9.784 1.00 0.00 ? 28 CYS A O 3 ATOM 1695 C CB . CYS A 1 28 ? 0.123 1.167 -11.622 1.00 0.00 ? 28 CYS A CB 3 ATOM 1696 S SG . CYS A 1 28 ? 1.052 0.584 -10.168 1.00 0.00 ? 28 CYS A SG 3 ATOM 1697 H H . CYS A 1 28 ? -1.675 1.178 -13.706 1.00 0.00 ? 28 CYS A H 3 ATOM 1698 H HA . CYS A 1 28 ? -1.390 -0.272 -11.156 1.00 0.00 ? 28 CYS A HA 3 ATOM 1699 H HB2 . CYS A 1 28 ? 0.649 0.831 -12.504 1.00 0.00 ? 28 CYS A HB2 3 ATOM 1700 H HB3 . CYS A 1 28 ? 0.121 2.247 -11.600 1.00 0.00 ? 28 CYS A HB3 3 ATOM 1701 N N . PHE A 1 29 ? -2.964 2.446 -11.824 1.00 0.00 ? 29 PHE A N 3 ATOM 1702 C CA . PHE A 1 29 ? -3.888 3.451 -11.309 1.00 0.00 ? 29 PHE A CA 3 ATOM 1703 C C . PHE A 1 29 ? -5.321 3.140 -11.733 1.00 0.00 ? 29 PHE A C 3 ATOM 1704 O O . PHE A 1 29 ? -6.277 3.557 -11.080 1.00 0.00 ? 29 PHE A O 3 ATOM 1705 C CB . PHE A 1 29 ? -3.488 4.843 -11.803 1.00 0.00 ? 29 PHE A CB 3 ATOM 1706 C CG . PHE A 1 29 ? -2.352 5.449 -11.031 1.00 0.00 ? 29 PHE A CG 3 ATOM 1707 C CD1 . PHE A 1 29 ? -1.146 4.778 -10.905 1.00 0.00 ? 29 PHE A CD1 3 ATOM 1708 C CD2 . PHE A 1 29 ? -2.488 6.691 -10.431 1.00 0.00 ? 29 PHE A CD2 3 ATOM 1709 C CE1 . PHE A 1 29 ? -0.099 5.333 -10.194 1.00 0.00 ? 29 PHE A CE1 3 ATOM 1710 C CE2 . PHE A 1 29 ? -1.445 7.251 -9.720 1.00 0.00 ? 29 PHE A CE2 3 ATOM 1711 C CZ . PHE A 1 29 ? -0.248 6.572 -9.602 1.00 0.00 ? 29 PHE A CZ 3 ATOM 1712 H H . PHE A 1 29 ? -2.868 2.337 -12.793 1.00 0.00 ? 29 PHE A H 3 ATOM 1713 H HA . PHE A 1 29 ? -3.832 3.431 -10.232 1.00 0.00 ? 29 PHE A HA 3 ATOM 1714 H HB2 . PHE A 1 29 ? -3.188 4.777 -12.838 1.00 0.00 ? 29 PHE A HB2 3 ATOM 1715 H HB3 . PHE A 1 29 ? -4.338 5.504 -11.720 1.00 0.00 ? 29 PHE A HB3 3 ATOM 1716 H HD1 . PHE A 1 29 ? -1.027 3.809 -11.369 1.00 0.00 ? 29 PHE A HD1 3 ATOM 1717 H HD2 . PHE A 1 29 ? -3.425 7.223 -10.523 1.00 0.00 ? 29 PHE A HD2 3 ATOM 1718 H HE1 . PHE A 1 29 ? 0.836 4.800 -10.104 1.00 0.00 ? 29 PHE A HE1 3 ATOM 1719 H HE2 . PHE A 1 29 ? -1.565 8.220 -9.258 1.00 0.00 ? 29 PHE A HE2 3 ATOM 1720 H HZ . PHE A 1 29 ? 0.569 7.008 -9.046 1.00 0.00 ? 29 PHE A HZ 3 ATOM 1721 N N . GLY A 1 30 ? -5.460 2.406 -12.832 1.00 0.00 ? 30 GLY A N 3 ATOM 1722 C CA . GLY A 1 30 ? -6.778 2.052 -13.326 1.00 0.00 ? 30 GLY A CA 3 ATOM 1723 C C . GLY A 1 30 ? -7.358 3.112 -14.242 1.00 0.00 ? 30 GLY A C 3 ATOM 1724 O O . GLY A 1 30 ? -8.577 3.252 -14.348 1.00 0.00 ? 30 GLY A O 3 ATOM 1725 H H . GLY A 1 30 ? -4.662 2.101 -13.312 1.00 0.00 ? 30 GLY A H 3 ATOM 1726 H HA2 . GLY A 1 30 ? -6.710 1.121 -13.868 1.00 0.00 ? 30 GLY A HA2 3 ATOM 1727 H HA3 . GLY A 1 30 ? -7.442 1.919 -12.484 1.00 0.00 ? 30 GLY A HA3 3 ATOM 1728 N N . VAL A 1 31 ? -6.483 3.863 -14.904 1.00 0.00 ? 31 VAL A N 3 ATOM 1729 C CA . VAL A 1 31 ? -6.915 4.916 -15.815 1.00 0.00 ? 31 VAL A CA 3 ATOM 1730 C C . VAL A 1 31 ? -6.816 4.462 -17.267 1.00 0.00 ? 31 VAL A C 3 ATOM 1731 O O . VAL A 1 31 ? -7.627 4.850 -18.107 1.00 0.00 ? 31 VAL A O 3 ATOM 1732 C CB . VAL A 1 31 ? -6.077 6.195 -15.630 1.00 0.00 ? 31 VAL A CB 3 ATOM 1733 C CG1 . VAL A 1 31 ? -6.231 6.735 -14.217 1.00 0.00 ? 31 VAL A CG1 3 ATOM 1734 C CG2 . VAL A 1 31 ? -4.615 5.925 -15.951 1.00 0.00 ? 31 VAL A CG2 3 ATOM 1735 H H . VAL A 1 31 ? -5.525 3.703 -14.777 1.00 0.00 ? 31 VAL A H 3 ATOM 1736 H HA . VAL A 1 31 ? -7.946 5.150 -15.590 1.00 0.00 ? 31 VAL A HA 3 ATOM 1737 H HB . VAL A 1 31 ? -6.443 6.943 -16.319 1.00 0.00 ? 31 VAL A HB 3 ATOM 1738 H HG11 . VAL A 1 31 ? -6.562 7.763 -14.258 1.00 0.00 ? 31 VAL A HG11 3 ATOM 1739 H HG12 . VAL A 1 31 ? -6.958 6.142 -13.682 1.00 0.00 ? 31 VAL A HG12 3 ATOM 1740 H HG13 . VAL A 1 31 ? -5.280 6.685 -13.707 1.00 0.00 ? 31 VAL A HG13 3 ATOM 1741 H HG21 . VAL A 1 31 ? -4.420 4.865 -15.880 1.00 0.00 ? 31 VAL A HG21 3 ATOM 1742 H HG22 . VAL A 1 31 ? -4.398 6.265 -16.953 1.00 0.00 ? 31 VAL A HG22 3 ATOM 1743 H HG23 . VAL A 1 31 ? -3.988 6.454 -15.248 1.00 0.00 ? 31 VAL A HG23 3 ATOM 1744 N N . LYS A 1 32 ? -5.816 3.635 -17.555 1.00 0.00 ? 32 LYS A N 3 ATOM 1745 C CA . LYS A 1 32 ? -5.611 3.125 -18.906 1.00 0.00 ? 32 LYS A CA 3 ATOM 1746 C C . LYS A 1 32 ? -6.826 2.334 -19.379 1.00 0.00 ? 32 LYS A C 3 ATOM 1747 O O . LYS A 1 32 ? -7.534 1.724 -18.577 1.00 0.00 ? 32 LYS A O 3 ATOM 1748 C CB . LYS A 1 32 ? -4.362 2.241 -18.954 1.00 0.00 ? 32 LYS A CB 3 ATOM 1749 C CG . LYS A 1 32 ? -3.769 2.102 -20.345 1.00 0.00 ? 32 LYS A CG 3 ATOM 1750 C CD . LYS A 1 32 ? -4.165 0.785 -20.992 1.00 0.00 ? 32 LYS A CD 3 ATOM 1751 C CE . LYS A 1 32 ? -3.530 -0.399 -20.279 1.00 0.00 ? 32 LYS A CE 3 ATOM 1752 N NZ . LYS A 1 32 ? -3.606 -1.643 -21.094 1.00 0.00 ? 32 LYS A NZ 3 ATOM 1753 H H . LYS A 1 32 ? -5.202 3.361 -16.842 1.00 0.00 ? 32 LYS A H 3 ATOM 1754 H HA . LYS A 1 32 ? -5.468 3.970 -19.562 1.00 0.00 ? 32 LYS A HA 3 ATOM 1755 H HB2 . LYS A 1 32 ? -3.610 2.664 -18.305 1.00 0.00 ? 32 LYS A HB2 3 ATOM 1756 H HB3 . LYS A 1 32 ? -4.621 1.254 -18.596 1.00 0.00 ? 32 LYS A HB3 3 ATOM 1757 H HG2 . LYS A 1 32 ? -4.124 2.915 -20.961 1.00 0.00 ? 32 LYS A HG2 3 ATOM 1758 H HG3 . LYS A 1 32 ? -2.691 2.148 -20.273 1.00 0.00 ? 32 LYS A HG3 3 ATOM 1759 H HD2 . LYS A 1 32 ? -5.239 0.682 -20.950 1.00 0.00 ? 32 LYS A HD2 3 ATOM 1760 H HD3 . LYS A 1 32 ? -3.842 0.789 -22.023 1.00 0.00 ? 32 LYS A HD3 3 ATOM 1761 H HE2 . LYS A 1 32 ? -2.493 -0.171 -20.083 1.00 0.00 ? 32 LYS A HE2 3 ATOM 1762 H HE3 . LYS A 1 32 ? -4.046 -0.559 -19.344 1.00 0.00 ? 32 LYS A HE3 3 ATOM 1763 H HZ1 . LYS A 1 32 ? -2.654 -2.031 -21.244 1.00 0.00 ? 32 LYS A HZ1 3 ATOM 1764 H HZ2 . LYS A 1 32 ? -4.035 -1.438 -22.020 1.00 0.00 ? 32 LYS A HZ2 3 ATOM 1765 H HZ3 . LYS A 1 32 ? -4.187 -2.354 -20.606 1.00 0.00 ? 32 LYS A HZ3 3 ATOM 1766 N N . HIS A 1 33 ? -7.061 2.346 -20.688 1.00 0.00 ? 33 HIS A N 3 ATOM 1767 C CA . HIS A 1 33 ? -8.190 1.628 -21.268 1.00 0.00 ? 33 HIS A CA 3 ATOM 1768 C C . HIS A 1 33 ? -7.749 0.273 -21.813 1.00 0.00 ? 33 HIS A C 3 ATOM 1769 O O . HIS A 1 33 ? -6.908 0.197 -22.709 1.00 0.00 ? 33 HIS A O 3 ATOM 1770 C CB . HIS A 1 33 ? -8.829 2.456 -22.383 1.00 0.00 ? 33 HIS A CB 3 ATOM 1771 C CG . HIS A 1 33 ? -9.749 3.526 -21.882 1.00 0.00 ? 33 HIS A CG 3 ATOM 1772 N ND1 . HIS A 1 33 ? -9.376 4.849 -21.774 1.00 0.00 ? 33 HIS A ND1 3 ATOM 1773 C CD2 . HIS A 1 33 ? -11.034 3.464 -21.461 1.00 0.00 ? 33 HIS A CD2 3 ATOM 1774 C CE1 . HIS A 1 33 ? -10.390 5.554 -21.306 1.00 0.00 ? 33 HIS A CE1 3 ATOM 1775 N NE2 . HIS A 1 33 ? -11.409 4.737 -21.108 1.00 0.00 ? 33 HIS A NE2 3 ATOM 1776 H H . HIS A 1 33 ? -6.461 2.850 -21.276 1.00 0.00 ? 33 HIS A H 3 ATOM 1777 H HA . HIS A 1 33 ? -8.918 1.468 -20.487 1.00 0.00 ? 33 HIS A HA 3 ATOM 1778 H HB2 . HIS A 1 33 ? -8.051 2.932 -22.961 1.00 0.00 ? 33 HIS A HB2 3 ATOM 1779 H HB3 . HIS A 1 33 ? -9.400 1.801 -23.027 1.00 0.00 ? 33 HIS A HB3 3 ATOM 1780 H HD1 . HIS A 1 33 ? -8.497 5.216 -22.004 1.00 0.00 ? 33 HIS A HD1 3 ATOM 1781 H HD2 . HIS A 1 33 ? -11.651 2.577 -21.411 1.00 0.00 ? 33 HIS A HD2 3 ATOM 1782 H HE1 . HIS A 1 33 ? -10.388 6.617 -21.117 1.00 0.00 ? 33 HIS A HE1 3 ATOM 1783 N N . SER A 1 34 ? -8.322 -0.795 -21.266 1.00 0.00 ? 34 SER A N 3 ATOM 1784 C CA . SER A 1 34 ? -7.985 -2.147 -21.694 1.00 0.00 ? 34 SER A CA 3 ATOM 1785 C C . SER A 1 34 ? -8.172 -2.303 -23.200 1.00 0.00 ? 34 SER A C 3 ATOM 1786 O O . SER A 1 34 ? -8.834 -1.487 -23.842 1.00 0.00 ? 34 SER A O 3 ATOM 1787 C CB . SER A 1 34 ? -8.848 -3.170 -20.953 1.00 0.00 ? 34 SER A CB 3 ATOM 1788 O OG . SER A 1 34 ? -8.372 -3.380 -19.635 1.00 0.00 ? 34 SER A OG 3 ATOM 1789 H H . SER A 1 34 ? -8.985 -0.669 -20.555 1.00 0.00 ? 34 SER A H 3 ATOM 1790 H HA . SER A 1 34 ? -6.947 -2.322 -21.452 1.00 0.00 ? 34 SER A HA 3 ATOM 1791 H HB2 . SER A 1 34 ? -9.864 -2.810 -20.902 1.00 0.00 ? 34 SER A HB2 3 ATOM 1792 H HB3 . SER A 1 34 ? -8.825 -4.110 -21.485 1.00 0.00 ? 34 SER A HB3 3 ATOM 1793 H HG . SER A 1 34 ? -7.727 -4.091 -19.637 1.00 0.00 ? 34 SER A HG 3 ATOM 1794 N N . SER A 1 35 ? -7.584 -3.356 -23.757 1.00 0.00 ? 35 SER A N 3 ATOM 1795 C CA . SER A 1 35 ? -7.682 -3.618 -25.189 1.00 0.00 ? 35 SER A CA 3 ATOM 1796 C C . SER A 1 35 ? -9.112 -3.981 -25.578 1.00 0.00 ? 35 SER A C 3 ATOM 1797 O O . SER A 1 35 ? -9.634 -3.501 -26.583 1.00 0.00 ? 35 SER A O 3 ATOM 1798 C CB . SER A 1 35 ? -6.730 -4.748 -25.588 1.00 0.00 ? 35 SER A CB 3 ATOM 1799 O OG . SER A 1 35 ? -6.763 -4.971 -26.987 1.00 0.00 ? 35 SER A OG 3 ATOM 1800 H H . SER A 1 35 ? -7.069 -3.971 -23.193 1.00 0.00 ? 35 SER A H 3 ATOM 1801 H HA . SER A 1 35 ? -7.396 -2.717 -25.711 1.00 0.00 ? 35 SER A HA 3 ATOM 1802 H HB2 . SER A 1 35 ? -5.724 -4.486 -25.301 1.00 0.00 ? 35 SER A HB2 3 ATOM 1803 H HB3 . SER A 1 35 ? -7.024 -5.657 -25.083 1.00 0.00 ? 35 SER A HB3 3 ATOM 1804 H HG . SER A 1 35 ? -7.190 -5.811 -27.168 1.00 0.00 ? 35 SER A HG 3 ATOM 1805 N N . GLY A 1 36 ? -9.740 -4.833 -24.773 1.00 0.00 ? 36 GLY A N 3 ATOM 1806 C CA . GLY A 1 36 ? -11.103 -5.246 -25.049 1.00 0.00 ? 36 GLY A CA 3 ATOM 1807 C C . GLY A 1 36 ? -11.435 -6.593 -24.439 1.00 0.00 ? 36 GLY A C 3 ATOM 1808 O O . GLY A 1 36 ? -12.564 -6.826 -24.008 1.00 0.00 ? 36 GLY A O 3 ATOM 1809 H H . GLY A 1 36 ? -9.273 -5.183 -23.986 1.00 0.00 ? 36 GLY A H 3 ATOM 1810 H HA2 . GLY A 1 36 ? -11.780 -4.505 -24.651 1.00 0.00 ? 36 GLY A HA2 3 ATOM 1811 H HA3 . GLY A 1 36 ? -11.240 -5.305 -26.119 1.00 0.00 ? 36 GLY A HA3 3 ATOM 1812 N N . GLY A 1 37 ? -10.450 -7.485 -24.404 1.00 0.00 ? 37 GLY A N 3 ATOM 1813 C CA . GLY A 1 37 ? -10.664 -8.805 -23.841 1.00 0.00 ? 37 GLY A CA 3 ATOM 1814 C C . GLY A 1 37 ? -10.071 -8.948 -22.454 1.00 0.00 ? 37 GLY A C 3 ATOM 1815 O O . GLY A 1 37 ? -9.630 -7.968 -21.856 1.00 0.00 ? 37 GLY A O 3 ATOM 1816 H H . GLY A 1 37 ? -9.570 -7.243 -24.762 1.00 0.00 ? 37 GLY A H 3 ATOM 1817 H HA2 . GLY A 1 37 ? -11.725 -8.995 -23.789 1.00 0.00 ? 37 GLY A HA2 3 ATOM 1818 H HA3 . GLY A 1 37 ? -10.209 -9.539 -24.492 1.00 0.00 ? 37 GLY A HA3 3 ATOM 1819 N N . GLY A 1 38 ? -10.061 -10.174 -21.939 1.00 0.00 ? 38 GLY A N 3 ATOM 1820 C CA . GLY A 1 38 ? -9.517 -10.419 -20.616 1.00 0.00 ? 38 GLY A CA 3 ATOM 1821 C C . GLY A 1 38 ? -10.132 -9.520 -19.561 1.00 0.00 ? 38 GLY A C 3 ATOM 1822 O O . GLY A 1 38 ? -9.426 -8.782 -18.876 1.00 0.00 ? 38 GLY A O 3 ATOM 1823 H H . GLY A 1 38 ? -10.426 -10.918 -22.462 1.00 0.00 ? 38 GLY A H 3 ATOM 1824 H HA2 . GLY A 1 38 ? -9.701 -11.448 -20.348 1.00 0.00 ? 38 GLY A HA2 3 ATOM 1825 H HA3 . GLY A 1 38 ? -8.451 -10.248 -20.640 1.00 0.00 ? 38 GLY A HA3 3 ATOM 1826 N N . GLY A 1 39 ? -11.454 -9.581 -19.431 1.00 0.00 ? 39 GLY A N 3 ATOM 1827 C CA . GLY A 1 39 ? -12.142 -8.760 -18.451 1.00 0.00 ? 39 GLY A CA 3 ATOM 1828 C C . GLY A 1 39 ? -13.371 -8.083 -19.023 1.00 0.00 ? 39 GLY A C 3 ATOM 1829 O O . GLY A 1 39 ? -13.337 -6.898 -19.357 1.00 0.00 ? 39 GLY A O 3 ATOM 1830 H H . GLY A 1 39 ? -11.966 -10.189 -20.004 1.00 0.00 ? 39 GLY A H 3 ATOM 1831 H HA2 . GLY A 1 39 ? -12.440 -9.383 -17.621 1.00 0.00 ? 39 GLY A HA2 3 ATOM 1832 H HA3 . GLY A 1 39 ? -11.461 -8.002 -18.093 1.00 0.00 ? 39 GLY A HA3 3 ATOM 1833 N N . SER A 1 40 ? -14.460 -8.836 -19.138 1.00 0.00 ? 40 SER A N 3 ATOM 1834 C CA . SER A 1 40 ? -15.705 -8.302 -19.679 1.00 0.00 ? 40 SER A CA 3 ATOM 1835 C C . SER A 1 40 ? -16.723 -8.066 -18.568 1.00 0.00 ? 40 SER A C 3 ATOM 1836 O O . SER A 1 40 ? -17.779 -8.699 -18.534 1.00 0.00 ? 40 SER A O 3 ATOM 1837 C CB . SER A 1 40 ? -16.284 -9.259 -20.723 1.00 0.00 ? 40 SER A CB 3 ATOM 1838 O OG . SER A 1 40 ? -17.401 -8.684 -21.378 1.00 0.00 ? 40 SER A OG 3 ATOM 1839 H H . SER A 1 40 ? -14.425 -9.773 -18.854 1.00 0.00 ? 40 SER A H 3 ATOM 1840 H HA . SER A 1 40 ? -15.482 -7.358 -20.154 1.00 0.00 ? 40 SER A HA 3 ATOM 1841 H HB2 . SER A 1 40 ? -15.528 -9.486 -21.458 1.00 0.00 ? 40 SER A HB2 3 ATOM 1842 H HB3 . SER A 1 40 ? -16.598 -10.171 -20.235 1.00 0.00 ? 40 SER A HB3 3 ATOM 1843 H HG . SER A 1 40 ? -18.025 -9.374 -21.612 1.00 0.00 ? 40 SER A HG 3 ATOM 1844 N N . TYR A 1 41 ? -16.398 -7.152 -17.661 1.00 0.00 ? 41 TYR A N 3 ATOM 1845 C CA . TYR A 1 41 ? -17.283 -6.833 -16.546 1.00 0.00 ? 41 TYR A CA 3 ATOM 1846 C C . TYR A 1 41 ? -18.427 -5.931 -16.999 1.00 0.00 ? 41 TYR A C 3 ATOM 1847 O O . TYR A 1 41 ? -18.333 -5.257 -18.025 1.00 0.00 ? 41 TYR A O 3 ATOM 1848 C CB . TYR A 1 41 ? -16.497 -6.154 -15.423 1.00 0.00 ? 41 TYR A CB 3 ATOM 1849 C CG . TYR A 1 41 ? -17.071 -6.404 -14.046 1.00 0.00 ? 41 TYR A CG 3 ATOM 1850 C CD1 . TYR A 1 41 ? -16.659 -7.493 -13.288 1.00 0.00 ? 41 TYR A CD1 3 ATOM 1851 C CD2 . TYR A 1 41 ? -18.025 -5.552 -13.505 1.00 0.00 ? 41 TYR A CD2 3 ATOM 1852 C CE1 . TYR A 1 41 ? -17.181 -7.726 -12.030 1.00 0.00 ? 41 TYR A CE1 3 ATOM 1853 C CE2 . TYR A 1 41 ? -18.551 -5.776 -12.247 1.00 0.00 ? 41 TYR A CE2 3 ATOM 1854 C CZ . TYR A 1 41 ? -18.126 -6.864 -11.514 1.00 0.00 ? 41 TYR A CZ 3 ATOM 1855 O OH . TYR A 1 41 ? -18.649 -7.092 -10.261 1.00 0.00 ? 41 TYR A OH 3 ATOM 1856 H H . TYR A 1 41 ? -15.543 -6.681 -17.742 1.00 0.00 ? 41 TYR A H 3 ATOM 1857 H HA . TYR A 1 41 ? -17.695 -7.760 -16.175 1.00 0.00 ? 41 TYR A HA 3 ATOM 1858 H HB2 . TYR A 1 41 ? -15.482 -6.521 -15.430 1.00 0.00 ? 41 TYR A HB2 3 ATOM 1859 H HB3 . TYR A 1 41 ? -16.491 -5.087 -15.591 1.00 0.00 ? 41 TYR A HB3 3 ATOM 1860 H HD1 . TYR A 1 41 ? -15.918 -8.166 -13.695 1.00 0.00 ? 41 TYR A HD1 3 ATOM 1861 H HD2 . TYR A 1 41 ? -18.356 -4.701 -14.082 1.00 0.00 ? 41 TYR A HD2 3 ATOM 1862 H HE1 . TYR A 1 41 ? -16.848 -8.577 -11.455 1.00 0.00 ? 41 TYR A HE1 3 ATOM 1863 H HE2 . TYR A 1 41 ? -19.292 -5.102 -11.843 1.00 0.00 ? 41 TYR A HE2 3 ATOM 1864 H HH . TYR A 1 41 ? -19.516 -6.684 -10.198 1.00 0.00 ? 41 TYR A HH 3 ATOM 1865 N N . HIS A 1 42 ? -19.508 -5.924 -16.226 1.00 0.00 ? 42 HIS A N 3 ATOM 1866 C CA . HIS A 1 42 ? -20.671 -5.104 -16.545 1.00 0.00 ? 42 HIS A CA 3 ATOM 1867 C C . HIS A 1 42 ? -20.614 -3.769 -15.809 1.00 0.00 ? 42 HIS A C 3 ATOM 1868 O O . HIS A 1 42 ? -21.632 -3.268 -15.331 1.00 0.00 ? 42 HIS A O 3 ATOM 1869 C CB . HIS A 1 42 ? -21.958 -5.845 -16.182 1.00 0.00 ? 42 HIS A CB 3 ATOM 1870 C CG . HIS A 1 42 ? -22.362 -6.875 -17.192 1.00 0.00 ? 42 HIS A CG 3 ATOM 1871 N ND1 . HIS A 1 42 ? -23.678 -7.182 -17.469 1.00 0.00 ? 42 HIS A ND1 3 ATOM 1872 C CD2 . HIS A 1 42 ? -21.615 -7.668 -17.995 1.00 0.00 ? 42 HIS A CD2 3 ATOM 1873 C CE1 . HIS A 1 42 ? -23.722 -8.121 -18.397 1.00 0.00 ? 42 HIS A CE1 3 ATOM 1874 N NE2 . HIS A 1 42 ? -22.484 -8.433 -18.734 1.00 0.00 ? 42 HIS A NE2 3 ATOM 1875 H H . HIS A 1 42 ? -19.523 -6.483 -15.421 1.00 0.00 ? 42 HIS A H 3 ATOM 1876 H HA . HIS A 1 42 ? -20.662 -4.916 -17.608 1.00 0.00 ? 42 HIS A HA 3 ATOM 1877 H HB2 . HIS A 1 42 ? -21.823 -6.346 -15.235 1.00 0.00 ? 42 HIS A HB2 3 ATOM 1878 H HB3 . HIS A 1 42 ? -22.765 -5.131 -16.094 1.00 0.00 ? 42 HIS A HB3 3 ATOM 1879 H HD1 . HIS A 1 42 ? -24.462 -6.774 -17.046 1.00 0.00 ? 42 HIS A HD1 3 ATOM 1880 H HD2 . HIS A 1 42 ? -20.536 -7.695 -18.046 1.00 0.00 ? 42 HIS A HD2 3 ATOM 1881 H HE1 . HIS A 1 42 ? -24.618 -8.559 -18.811 1.00 0.00 ? 42 HIS A HE1 3 ATOM 1882 N N . CYS A 1 43 ? -19.417 -3.199 -15.721 1.00 0.00 ? 43 CYS A N 3 ATOM 1883 C CA . CYS A 1 43 ? -19.225 -1.923 -15.042 1.00 0.00 ? 43 CYS A CA 3 ATOM 1884 C C . CYS A 1 43 ? -18.860 -0.826 -16.039 1.00 0.00 ? 43 CYS A C 3 ATOM 1885 O O . CYS A 1 43 ? -18.269 -1.126 -17.075 1.00 0.00 ? 43 CYS A O 3 ATOM 1886 C CB . CYS A 1 43 ? -18.132 -2.046 -13.979 1.00 0.00 ? 43 CYS A CB 3 ATOM 1887 S SG . CYS A 1 43 ? -17.871 -0.530 -13.002 1.00 0.00 ? 43 CYS A SG 3 ATOM 1888 H H . CYS A 1 43 ? -18.642 -3.647 -16.122 1.00 0.00 ? 43 CYS A H 3 ATOM 1889 H HA . CYS A 1 43 ? -20.155 -1.660 -14.561 1.00 0.00 ? 43 CYS A HA 3 ATOM 1890 H HB2 . CYS A 1 43 ? -18.396 -2.837 -13.292 1.00 0.00 ? 43 CYS A HB2 3 ATOM 1891 H HB3 . CYS A 1 43 ? -17.198 -2.292 -14.461 1.00 0.00 ? 43 CYS A HB3 3 HETATM 1892 C C1 . NAG B 2 . ? 6.325 19.072 -20.257 1.00 0.00 ? 101 NAG A C1 3 HETATM 1893 C C2 . NAG B 2 . ? 6.708 20.052 -19.146 1.00 0.00 ? 101 NAG A C2 3 HETATM 1894 C C3 . NAG B 2 . ? 7.261 21.334 -19.777 1.00 0.00 ? 101 NAG A C3 3 HETATM 1895 C C4 . NAG B 2 . ? 8.395 20.957 -20.738 1.00 0.00 ? 101 NAG A C4 3 HETATM 1896 C C5 . NAG B 2 . ? 7.884 19.909 -21.728 1.00 0.00 ? 101 NAG A C5 3 HETATM 1897 C C6 . NAG B 2 . ? 9.001 19.552 -22.711 1.00 0.00 ? 101 NAG A C6 3 HETATM 1898 C C7 . NAG B 2 . ? 5.220 19.626 -17.265 1.00 0.00 ? 101 NAG A C7 3 HETATM 1899 C C8 . NAG B 2 . ? 4.003 19.955 -16.440 1.00 0.00 ? 101 NAG A C8 3 HETATM 1900 N N2 . NAG B 2 . ? 5.526 20.372 -18.345 1.00 0.00 ? 101 NAG A N2 3 HETATM 1901 O O3 . NAG B 2 . ? 7.764 22.200 -18.759 1.00 0.00 ? 101 NAG A O3 3 HETATM 1902 O O4 . NAG B 2 . ? 8.826 22.117 -21.451 1.00 0.00 ? 101 NAG A O4 3 HETATM 1903 O O5 . NAG B 2 . ? 7.478 18.737 -21.024 1.00 0.00 ? 101 NAG A O5 3 HETATM 1904 O O6 . NAG B 2 . ? 8.524 18.577 -23.640 1.00 0.00 ? 101 NAG A O6 3 HETATM 1905 O O7 . NAG B 2 . ? 5.925 18.689 -16.957 1.00 0.00 ? 101 NAG A O7 3 HETATM 1906 H H1 . NAG B 2 . ? 5.576 19.541 -20.912 1.00 0.00 ? 101 NAG A H1 3 HETATM 1907 H H2 . NAG B 2 . ? 7.473 19.596 -18.499 1.00 0.00 ? 101 NAG A H2 3 HETATM 1908 H H3 . NAG B 2 . ? 6.460 21.855 -20.323 1.00 0.00 ? 101 NAG A H3 3 HETATM 1909 H H4 . NAG B 2 . ? 9.242 20.549 -20.168 1.00 0.00 ? 101 NAG A H4 3 HETATM 1910 H H5 . NAG B 2 . ? 7.023 20.317 -22.279 1.00 0.00 ? 101 NAG A H5 3 HETATM 1911 H H61 . NAG B 2 . ? 9.335 20.453 -23.247 1.00 0.00 ? 101 NAG A H61 3 HETATM 1912 H H62 . NAG B 2 . ? 9.873 19.160 -22.166 1.00 0.00 ? 101 NAG A H62 3 HETATM 1913 H H81 . NAG B 2 . ? 4.108 20.966 -16.019 1.00 0.00 ? 101 NAG A H81 3 HETATM 1914 H H82 . NAG B 2 . ? 3.107 19.914 -17.075 1.00 0.00 ? 101 NAG A H82 3 HETATM 1915 H H83 . NAG B 2 . ? 3.906 19.226 -15.622 1.00 0.00 ? 101 NAG A H83 3 HETATM 1916 H HN2 . NAG B 2 . ? 4.944 21.144 -18.599 1.00 0.00 ? 101 NAG A HN2 3 HETATM 1917 H HO3 . NAG B 2 . ? 8.125 23.033 -19.178 1.00 0.00 ? 101 NAG A HO3 3 HETATM 1918 H HO4 . NAG B 2 . ? 9.797 22.029 -21.677 1.00 0.00 ? 101 NAG A HO4 3 HETATM 1919 H HO6 . NAG B 2 . ? 7.899 17.950 -23.175 1.00 0.00 ? 101 NAG A HO6 3 HETATM 1920 C C1 . NAG C 2 . ? -16.666 0.365 -11.699 1.00 0.00 ? 102 NAG A C1 3 HETATM 1921 C C2 . NAG C 2 . ? -15.983 0.777 -10.395 1.00 0.00 ? 102 NAG A C2 3 HETATM 1922 C C3 . NAG C 2 . ? -15.288 2.128 -10.597 1.00 0.00 ? 102 NAG A C3 3 HETATM 1923 C C4 . NAG C 2 . ? -14.365 2.026 -11.816 1.00 0.00 ? 102 NAG A C4 3 HETATM 1924 C C5 . NAG C 2 . ? -15.171 1.519 -13.014 1.00 0.00 ? 102 NAG A C5 3 HETATM 1925 C C6 . NAG C 2 . ? -14.263 1.446 -14.243 1.00 0.00 ? 102 NAG A C6 3 HETATM 1926 C C7 . NAG C 2 . ? -17.285 -0.172 -8.567 1.00 0.00 ? 102 NAG A C7 3 HETATM 1927 C C8 . NAG C 2 . ? -18.315 -0.050 -7.474 1.00 0.00 ? 102 NAG A C8 3 HETATM 1928 N N2 . NAG C 2 . ? -16.983 0.896 -9.332 1.00 0.00 ? 102 NAG A N2 3 HETATM 1929 O O3 . NAG C 2 . ? -14.519 2.458 -9.440 1.00 0.00 ? 102 NAG A O3 3 HETATM 1930 O O4 . NAG C 2 . ? -13.821 3.312 -12.117 1.00 0.00 ? 102 NAG A O4 3 HETATM 1931 O O5 . NAG C 2 . ? -15.693 0.223 -12.731 1.00 0.00 ? 102 NAG A O5 3 HETATM 1932 O O6 . NAG C 2 . ? -15.015 0.978 -15.364 1.00 0.00 ? 102 NAG A O6 3 HETATM 1933 O O7 . NAG C 2 . ? -16.728 -1.231 -8.759 1.00 0.00 ? 102 NAG A O7 3 HETATM 1934 H H1 . NAG C 2 . ? -17.392 1.139 -11.989 1.00 0.00 ? 102 NAG A H1 3 HETATM 1935 H H2 . NAG C 2 . ? -15.240 0.016 -10.110 1.00 0.00 ? 102 NAG A H2 3 HETATM 1936 H H3 . NAG C 2 . ? -16.042 2.913 -10.758 1.00 0.00 ? 102 NAG A H3 3 HETATM 1937 H H4 . NAG C 2 . ? -13.542 1.329 -11.599 1.00 0.00 ? 102 NAG A H4 3 HETATM 1938 H H5 . NAG C 2 . ? -16.004 2.210 -13.210 1.00 0.00 ? 102 NAG A H5 3 HETATM 1939 H H61 . NAG C 2 . ? -13.839 2.439 -14.460 1.00 0.00 ? 102 NAG A H61 3 HETATM 1940 H H62 . NAG C 2 . ? -13.417 0.770 -14.047 1.00 0.00 ? 102 NAG A H62 3 HETATM 1941 H H81 . NAG C 2 . ? -18.487 -1.037 -7.021 1.00 0.00 ? 102 NAG A H81 3 HETATM 1942 H H82 . NAG C 2 . ? -17.952 0.648 -6.705 1.00 0.00 ? 102 NAG A H82 3 HETATM 1943 H H83 . NAG C 2 . ? -19.257 0.329 -7.897 1.00 0.00 ? 102 NAG A H83 3 HETATM 1944 H HN2 . NAG C 2 . ? -17.442 1.769 -9.174 1.00 0.00 ? 102 NAG A HN2 3 HETATM 1945 H HO3 . NAG C 2 . ? -14.067 3.339 -9.580 1.00 0.00 ? 102 NAG A HO3 3 HETATM 1946 H HO4 . NAG C 2 . ? -12.917 3.204 -12.530 1.00 0.00 ? 102 NAG A HO4 3 HETATM 1947 H HO6 . NAG C 2 . ? -15.682 0.298 -15.058 1.00 0.00 ? 102 NAG A HO6 3 ATOM 1948 N N . LYS A 1 1 ? 2.375 -1.600 -3.376 1.00 0.00 ? 1 LYS A N 4 ATOM 1949 C CA . LYS A 1 1 ? 2.763 -1.184 -4.719 1.00 0.00 ? 1 LYS A CA 4 ATOM 1950 C C . LYS A 1 1 ? 4.281 -1.105 -4.847 1.00 0.00 ? 1 LYS A C 4 ATOM 1951 O O . LYS A 1 1 ? 5.007 -1.017 -3.857 1.00 0.00 ? 1 LYS A O 4 ATOM 1952 C CB . LYS A 1 1 ? 2.141 0.174 -5.053 1.00 0.00 ? 1 LYS A CB 4 ATOM 1953 C CG . LYS A 1 1 ? 0.746 0.075 -5.645 1.00 0.00 ? 1 LYS A CG 4 ATOM 1954 C CD . LYS A 1 1 ? -0.078 1.315 -5.342 1.00 0.00 ? 1 LYS A CD 4 ATOM 1955 C CE . LYS A 1 1 ? -1.361 1.345 -6.159 1.00 0.00 ? 1 LYS A CE 4 ATOM 1956 N NZ . LYS A 1 1 ? -2.420 0.487 -5.560 1.00 0.00 ? 1 LYS A NZ 4 ATOM 1957 H H1 . LYS A 1 1 ? 3.072 -1.858 -2.736 1.00 0.00 ? 1 LYS A H1 4 ATOM 1958 H HA . LYS A 1 1 ? 2.392 -1.921 -5.414 1.00 0.00 ? 1 LYS A HA 4 ATOM 1959 H HB2 . LYS A 1 1 ? 2.085 0.764 -4.150 1.00 0.00 ? 1 LYS A HB2 4 ATOM 1960 H HB3 . LYS A 1 1 ? 2.776 0.682 -5.765 1.00 0.00 ? 1 LYS A HB3 4 ATOM 1961 H HG2 . LYS A 1 1 ? 0.826 -0.037 -6.717 1.00 0.00 ? 1 LYS A HG2 4 ATOM 1962 H HG3 . LYS A 1 1 ? 0.248 -0.788 -5.227 1.00 0.00 ? 1 LYS A HG3 4 ATOM 1963 H HD2 . LYS A 1 1 ? -0.333 1.320 -4.293 1.00 0.00 ? 1 LYS A HD2 4 ATOM 1964 H HD3 . LYS A 1 1 ? 0.508 2.192 -5.576 1.00 0.00 ? 1 LYS A HD3 4 ATOM 1965 H HE2 . LYS A 1 1 ? -1.718 2.363 -6.206 1.00 0.00 ? 1 LYS A HE2 4 ATOM 1966 H HE3 . LYS A 1 1 ? -1.145 0.993 -7.157 1.00 0.00 ? 1 LYS A HE3 4 ATOM 1967 H HZ1 . LYS A 1 1 ? -2.817 -0.148 -6.282 1.00 0.00 ? 1 LYS A HZ1 4 ATOM 1968 H HZ2 . LYS A 1 1 ? -3.185 1.079 -5.176 1.00 0.00 ? 1 LYS A HZ2 4 ATOM 1969 H HZ3 . LYS A 1 1 ? -2.022 -0.087 -4.790 1.00 0.00 ? 1 LYS A HZ3 4 ATOM 1970 N N . PRO A 1 2 ? 4.772 -1.136 -6.094 1.00 0.00 ? 2 PRO A N 4 ATOM 1971 C CA . PRO A 1 2 ? 6.208 -1.067 -6.381 1.00 0.00 ? 2 PRO A CA 4 ATOM 1972 C C . PRO A 1 2 ? 6.795 0.307 -6.079 1.00 0.00 ? 2 PRO A C 4 ATOM 1973 O O . PRO A 1 2 ? 6.139 1.152 -5.470 1.00 0.00 ? 2 PRO A O 4 ATOM 1974 C CB . PRO A 1 2 ? 6.285 -1.364 -7.881 1.00 0.00 ? 2 PRO A CB 4 ATOM 1975 C CG . PRO A 1 2 ? 4.955 -0.957 -8.416 1.00 0.00 ? 2 PRO A CG 4 ATOM 1976 C CD . PRO A 1 2 ? 3.964 -1.240 -7.321 1.00 0.00 ? 2 PRO A CD 4 ATOM 1977 H HA . PRO A 1 2 ? 6.758 -1.820 -5.835 1.00 0.00 ? 2 PRO A HA 4 ATOM 1978 H HB2 . PRO A 1 2 ? 7.084 -0.786 -8.324 1.00 0.00 ? 2 PRO A HB2 4 ATOM 1979 H HB3 . PRO A 1 2 ? 6.467 -2.417 -8.035 1.00 0.00 ? 2 PRO A HB3 4 ATOM 1980 H HG2 . PRO A 1 2 ? 4.961 0.096 -8.654 1.00 0.00 ? 2 PRO A HG2 4 ATOM 1981 H HG3 . PRO A 1 2 ? 4.719 -1.540 -9.294 1.00 0.00 ? 2 PRO A HG3 4 ATOM 1982 H HD2 . PRO A 1 2 ? 3.175 -0.503 -7.327 1.00 0.00 ? 2 PRO A HD2 4 ATOM 1983 H HD3 . PRO A 1 2 ? 3.555 -2.234 -7.430 1.00 0.00 ? 2 PRO A HD3 4 ATOM 1984 N N . ALA A 1 3 ? 8.033 0.525 -6.510 1.00 0.00 ? 3 ALA A N 4 ATOM 1985 C CA . ALA A 1 3 ? 8.706 1.799 -6.288 1.00 0.00 ? 3 ALA A CA 4 ATOM 1986 C C . ALA A 1 3 ? 8.439 2.768 -7.434 1.00 0.00 ? 3 ALA A C 4 ATOM 1987 O O . ALA A 1 3 ? 9.080 3.814 -7.536 1.00 0.00 ? 3 ALA A O 4 ATOM 1988 C CB . ALA A 1 3 ? 10.202 1.581 -6.115 1.00 0.00 ? 3 ALA A CB 4 ATOM 1989 H H . ALA A 1 3 ? 8.504 -0.187 -6.990 1.00 0.00 ? 3 ALA A H 4 ATOM 1990 H HA . ALA A 1 3 ? 8.321 2.224 -5.372 1.00 0.00 ? 3 ALA A HA 4 ATOM 1991 H HB1 . ALA A 1 3 ? 10.663 1.469 -7.086 1.00 0.00 ? 3 ALA A HB1 4 ATOM 1992 H HB2 . ALA A 1 3 ? 10.633 2.432 -5.609 1.00 0.00 ? 3 ALA A HB2 4 ATOM 1993 H HB3 . ALA A 1 3 ? 10.371 0.690 -5.530 1.00 0.00 ? 3 ALA A HB3 4 ATOM 1994 N N . TRP A 1 4 ? 7.490 2.414 -8.292 1.00 0.00 ? 4 TRP A N 4 ATOM 1995 C CA . TRP A 1 4 ? 7.139 3.254 -9.432 1.00 0.00 ? 4 TRP A CA 4 ATOM 1996 C C . TRP A 1 4 ? 5.841 4.010 -9.172 1.00 0.00 ? 4 TRP A C 4 ATOM 1997 O O . TRP A 1 4 ? 5.780 5.230 -9.324 1.00 0.00 ? 4 TRP A O 4 ATOM 1998 C CB . TRP A 1 4 ? 7.004 2.403 -10.696 1.00 0.00 ? 4 TRP A CB 4 ATOM 1999 C CG . TRP A 1 4 ? 7.731 1.095 -10.612 1.00 0.00 ? 4 TRP A CG 4 ATOM 2000 C CD1 . TRP A 1 4 ? 9.023 0.900 -10.215 1.00 0.00 ? 4 TRP A CD1 4 ATOM 2001 C CD2 . TRP A 1 4 ? 7.209 -0.198 -10.936 1.00 0.00 ? 4 TRP A CD2 4 ATOM 2002 N NE1 . TRP A 1 4 ? 9.335 -0.437 -10.272 1.00 0.00 ? 4 TRP A NE1 4 ATOM 2003 C CE2 . TRP A 1 4 ? 8.239 -1.132 -10.710 1.00 0.00 ? 4 TRP A CE2 4 ATOM 2004 C CE3 . TRP A 1 4 ? 5.971 -0.658 -11.393 1.00 0.00 ? 4 TRP A CE3 4 ATOM 2005 C CZ2 . TRP A 1 4 ? 8.067 -2.496 -10.927 1.00 0.00 ? 4 TRP A CZ2 4 ATOM 2006 C CZ3 . TRP A 1 4 ? 5.802 -2.013 -11.608 1.00 0.00 ? 4 TRP A CZ3 4 ATOM 2007 C CH2 . TRP A 1 4 ? 6.845 -2.919 -11.375 1.00 0.00 ? 4 TRP A CH2 4 ATOM 2008 H H . TRP A 1 4 ? 7.014 1.568 -8.157 1.00 0.00 ? 4 TRP A H 4 ATOM 2009 H HA . TRP A 1 4 ? 7.936 3.969 -9.574 1.00 0.00 ? 4 TRP A HA 4 ATOM 2010 H HB2 . TRP A 1 4 ? 5.959 2.193 -10.871 1.00 0.00 ? 4 TRP A HB2 4 ATOM 2011 H HB3 . TRP A 1 4 ? 7.402 2.954 -11.536 1.00 0.00 ? 4 TRP A HB3 4 ATOM 2012 H HD1 . TRP A 1 4 ? 9.690 1.690 -9.905 1.00 0.00 ? 4 TRP A HD1 4 ATOM 2013 H HE1 . TRP A 1 4 ? 10.202 -0.829 -10.035 1.00 0.00 ? 4 TRP A HE1 4 ATOM 2014 H HE3 . TRP A 1 4 ? 5.155 0.025 -11.578 1.00 0.00 ? 4 TRP A HE3 4 ATOM 2015 H HZ2 . TRP A 1 4 ? 8.861 -3.207 -10.751 1.00 0.00 ? 4 TRP A HZ2 4 ATOM 2016 H HZ3 . TRP A 1 4 ? 4.852 -2.387 -11.961 1.00 0.00 ? 4 TRP A HZ3 4 ATOM 2017 H HH2 . TRP A 1 4 ? 6.668 -3.968 -11.556 1.00 0.00 ? 4 TRP A HH2 4 ATOM 2018 N N . CYS A 1 5 ? 4.804 3.278 -8.779 1.00 0.00 ? 5 CYS A N 4 ATOM 2019 C CA . CYS A 1 5 ? 3.506 3.879 -8.498 1.00 0.00 ? 5 CYS A CA 4 ATOM 2020 C C . CYS A 1 5 ? 3.437 4.375 -7.056 1.00 0.00 ? 5 CYS A C 4 ATOM 2021 O O . CYS A 1 5 ? 4.448 4.423 -6.357 1.00 0.00 ? 5 CYS A O 4 ATOM 2022 C CB . CYS A 1 5 ? 2.386 2.869 -8.756 1.00 0.00 ? 5 CYS A CB 4 ATOM 2023 S SG . CYS A 1 5 ? 2.599 1.897 -10.281 1.00 0.00 ? 5 CYS A SG 4 ATOM 2024 H H . CYS A 1 5 ? 4.914 2.309 -8.675 1.00 0.00 ? 5 CYS A H 4 ATOM 2025 H HA . CYS A 1 5 ? 3.379 4.721 -9.161 1.00 0.00 ? 5 CYS A HA 4 ATOM 2026 H HB2 . CYS A 1 5 ? 2.339 2.176 -7.929 1.00 0.00 ? 5 CYS A HB2 4 ATOM 2027 H HB3 . CYS A 1 5 ? 1.446 3.397 -8.830 1.00 0.00 ? 5 CYS A HB3 4 ATOM 2028 N N . TRP A 1 6 ? 2.237 4.740 -6.619 1.00 0.00 ? 6 TRP A N 4 ATOM 2029 C CA . TRP A 1 6 ? 2.035 5.232 -5.261 1.00 0.00 ? 6 TRP A CA 4 ATOM 2030 C C . TRP A 1 6 ? 0.606 4.978 -4.796 1.00 0.00 ? 6 TRP A C 4 ATOM 2031 O O . TRP A 1 6 ? 0.377 4.554 -3.663 1.00 0.00 ? 6 TRP A O 4 ATOM 2032 C CB . TRP A 1 6 ? 2.351 6.726 -5.185 1.00 0.00 ? 6 TRP A CB 4 ATOM 2033 C CG . TRP A 1 6 ? 3.147 7.104 -3.972 1.00 0.00 ? 6 TRP A CG 4 ATOM 2034 C CD1 . TRP A 1 6 ? 4.490 7.346 -3.916 1.00 0.00 ? 6 TRP A CD1 4 ATOM 2035 C CD2 . TRP A 1 6 ? 2.649 7.282 -2.642 1.00 0.00 ? 6 TRP A CD2 4 ATOM 2036 N NE1 . TRP A 1 6 ? 4.857 7.663 -2.630 1.00 0.00 ? 6 TRP A NE1 4 ATOM 2037 C CE2 . TRP A 1 6 ? 3.746 7.631 -1.830 1.00 0.00 ? 6 TRP A CE2 4 ATOM 2038 C CE3 . TRP A 1 6 ? 1.384 7.182 -2.057 1.00 0.00 ? 6 TRP A CE3 4 ATOM 2039 C CZ2 . TRP A 1 6 ? 3.613 7.879 -0.466 1.00 0.00 ? 6 TRP A CZ2 4 ATOM 2040 C CZ3 . TRP A 1 6 ? 1.254 7.427 -0.704 1.00 0.00 ? 6 TRP A CZ3 4 ATOM 2041 C CH2 . TRP A 1 6 ? 2.363 7.774 0.080 1.00 0.00 ? 6 TRP A CH2 4 ATOM 2042 H H . TRP A 1 6 ? 1.468 4.679 -7.224 1.00 0.00 ? 6 TRP A H 4 ATOM 2043 H HA . TRP A 1 6 ? 2.713 4.696 -4.612 1.00 0.00 ? 6 TRP A HA 4 ATOM 2044 H HB2 . TRP A 1 6 ? 2.918 7.013 -6.058 1.00 0.00 ? 6 TRP A HB2 4 ATOM 2045 H HB3 . TRP A 1 6 ? 1.425 7.282 -5.163 1.00 0.00 ? 6 TRP A HB3 4 ATOM 2046 H HD1 . TRP A 1 6 ? 5.154 7.290 -4.765 1.00 0.00 ? 6 TRP A HD1 4 ATOM 2047 H HE1 . TRP A 1 6 ? 5.767 7.878 -2.335 1.00 0.00 ? 6 TRP A HE1 4 ATOM 2048 H HE3 . TRP A 1 6 ? 0.517 6.916 -2.644 1.00 0.00 ? 6 TRP A HE3 4 ATOM 2049 H HZ2 . TRP A 1 6 ? 4.458 8.148 0.151 1.00 0.00 ? 6 TRP A HZ2 4 ATOM 2050 H HZ3 . TRP A 1 6 ? 0.284 7.354 -0.235 1.00 0.00 ? 6 TRP A HZ3 4 ATOM 2051 H HH2 . TRP A 1 6 ? 2.215 7.957 1.133 1.00 0.00 ? 6 TRP A HH2 4 ATOM 2052 N N . TYR A 1 7 ? -0.353 5.238 -5.678 1.00 0.00 ? 7 TYR A N 4 ATOM 2053 C CA . TYR A 1 7 ? -1.761 5.040 -5.357 1.00 0.00 ? 7 TYR A CA 4 ATOM 2054 C C . TYR A 1 7 ? -2.641 5.312 -6.573 1.00 0.00 ? 7 TYR A C 4 ATOM 2055 O O . TYR A 1 7 ? -2.151 5.420 -7.698 1.00 0.00 ? 7 TYR A O 4 ATOM 2056 C CB . TYR A 1 7 ? -2.176 5.950 -4.200 1.00 0.00 ? 7 TYR A CB 4 ATOM 2057 C CG . TYR A 1 7 ? -3.025 5.258 -3.158 1.00 0.00 ? 7 TYR A CG 4 ATOM 2058 C CD1 . TYR A 1 7 ? -2.586 4.096 -2.535 1.00 0.00 ? 7 TYR A CD1 4 ATOM 2059 C CD2 . TYR A 1 7 ? -4.267 5.766 -2.797 1.00 0.00 ? 7 TYR A CD2 4 ATOM 2060 C CE1 . TYR A 1 7 ? -3.360 3.460 -1.584 1.00 0.00 ? 7 TYR A CE1 4 ATOM 2061 C CE2 . TYR A 1 7 ? -5.047 5.137 -1.845 1.00 0.00 ? 7 TYR A CE2 4 ATOM 2062 C CZ . TYR A 1 7 ? -4.589 3.984 -1.242 1.00 0.00 ? 7 TYR A CZ 4 ATOM 2063 O OH . TYR A 1 7 ? -5.362 3.354 -0.294 1.00 0.00 ? 7 TYR A OH 4 ATOM 2064 H H . TYR A 1 7 ? -0.109 5.574 -6.565 1.00 0.00 ? 7 TYR A H 4 ATOM 2065 H HA . TYR A 1 7 ? -1.891 4.010 -5.056 1.00 0.00 ? 7 TYR A HA 4 ATOM 2066 H HB2 . TYR A 1 7 ? -1.290 6.324 -3.709 1.00 0.00 ? 7 TYR A HB2 4 ATOM 2067 H HB3 . TYR A 1 7 ? -2.743 6.783 -4.591 1.00 0.00 ? 7 TYR A HB3 4 ATOM 2068 H HD1 . TYR A 1 7 ? -1.623 3.689 -2.805 1.00 0.00 ? 7 TYR A HD1 4 ATOM 2069 H HD2 . TYR A 1 7 ? -4.623 6.669 -3.271 1.00 0.00 ? 7 TYR A HD2 4 ATOM 2070 H HE1 . TYR A 1 7 ? -3.001 2.558 -1.111 1.00 0.00 ? 7 TYR A HE1 4 ATOM 2071 H HE2 . TYR A 1 7 ? -6.010 5.547 -1.578 1.00 0.00 ? 7 TYR A HE2 4 ATOM 2072 H HH . TYR A 1 7 ? -5.985 2.767 -0.728 1.00 0.00 ? 7 TYR A HH 4 ATOM 2073 N N . THR A 1 8 ? -3.945 5.422 -6.339 1.00 0.00 ? 8 THR A N 4 ATOM 2074 C CA . THR A 1 8 ? -4.895 5.681 -7.414 1.00 0.00 ? 8 THR A CA 4 ATOM 2075 C C . THR A 1 8 ? -5.314 7.147 -7.436 1.00 0.00 ? 8 THR A C 4 ATOM 2076 O O . THR A 1 8 ? -6.407 7.484 -7.893 1.00 0.00 ? 8 THR A O 4 ATOM 2077 C CB . THR A 1 8 ? -6.153 4.802 -7.276 1.00 0.00 ? 8 THR A CB 4 ATOM 2078 O OG1 . THR A 1 8 ? -5.786 3.487 -6.845 1.00 0.00 ? 8 THR A OG1 4 ATOM 2079 C CG2 . THR A 1 8 ? -6.902 4.718 -8.597 1.00 0.00 ? 8 THR A CG2 4 ATOM 2080 H H . THR A 1 8 ? -4.275 5.326 -5.421 1.00 0.00 ? 8 THR A H 4 ATOM 2081 H HA . THR A 1 8 ? -4.414 5.440 -8.350 1.00 0.00 ? 8 THR A HA 4 ATOM 2082 H HB . THR A 1 8 ? -6.804 5.246 -6.537 1.00 0.00 ? 8 THR A HB 4 ATOM 2083 H HG1 . THR A 1 8 ? -6.296 3.251 -6.067 1.00 0.00 ? 8 THR A HG1 4 ATOM 2084 H HG21 . THR A 1 8 ? -6.425 5.361 -9.322 1.00 0.00 ? 8 THR A HG21 4 ATOM 2085 H HG22 . THR A 1 8 ? -7.924 5.036 -8.453 1.00 0.00 ? 8 THR A HG22 4 ATOM 2086 H HG23 . THR A 1 8 ? -6.888 3.700 -8.955 1.00 0.00 ? 8 THR A HG23 4 ATOM 2087 N N . LEU A 1 9 ? -4.438 8.015 -6.942 1.00 0.00 ? 9 LEU A N 4 ATOM 2088 C CA . LEU A 1 9 ? -4.716 9.446 -6.906 1.00 0.00 ? 9 LEU A CA 4 ATOM 2089 C C . LEU A 1 9 ? -4.773 10.025 -8.316 1.00 0.00 ? 9 LEU A C 4 ATOM 2090 O O . LEU A 1 9 ? -5.455 11.020 -8.562 1.00 0.00 ? 9 LEU A O 4 ATOM 2091 C CB . LEU A 1 9 ? -3.649 10.173 -6.087 1.00 0.00 ? 9 LEU A CB 4 ATOM 2092 C CG . LEU A 1 9 ? -3.984 10.420 -4.616 1.00 0.00 ? 9 LEU A CG 4 ATOM 2093 C CD1 . LEU A 1 9 ? -2.829 9.990 -3.725 1.00 0.00 ? 9 LEU A CD1 4 ATOM 2094 C CD2 . LEU A 1 9 ? -4.321 11.886 -4.384 1.00 0.00 ? 9 LEU A CD2 4 ATOM 2095 H H . LEU A 1 9 ? -3.584 7.687 -6.593 1.00 0.00 ? 9 LEU A H 4 ATOM 2096 H HA . LEU A 1 9 ? -5.678 9.585 -6.434 1.00 0.00 ? 9 LEU A HA 4 ATOM 2097 H HB2 . LEU A 1 9 ? -2.745 9.585 -6.125 1.00 0.00 ? 9 LEU A HB2 4 ATOM 2098 H HB3 . LEU A 1 9 ? -3.472 11.133 -6.553 1.00 0.00 ? 9 LEU A HB3 4 ATOM 2099 H HG . LEU A 1 9 ? -4.850 9.831 -4.347 1.00 0.00 ? 9 LEU A HG 4 ATOM 2100 H HD11 . LEU A 1 9 ? -3.181 9.870 -2.712 1.00 0.00 ? 9 LEU A HD11 4 ATOM 2101 H HD12 . LEU A 1 9 ? -2.055 10.743 -3.751 1.00 0.00 ? 9 LEU A HD12 4 ATOM 2102 H HD13 . LEU A 1 9 ? -2.430 9.052 -4.082 1.00 0.00 ? 9 LEU A HD13 4 ATOM 2103 H HD21 . LEU A 1 9 ? -4.484 12.056 -3.330 1.00 0.00 ? 9 LEU A HD21 4 ATOM 2104 H HD22 . LEU A 1 9 ? -5.216 12.140 -4.932 1.00 0.00 ? 9 LEU A HD22 4 ATOM 2105 H HD23 . LEU A 1 9 ? -3.502 12.502 -4.727 1.00 0.00 ? 9 LEU A HD23 4 ATOM 2106 N N . ALA A 1 10 ? -4.054 9.395 -9.239 1.00 0.00 ? 10 ALA A N 4 ATOM 2107 C CA . ALA A 1 10 ? -4.026 9.844 -10.625 1.00 0.00 ? 10 ALA A CA 4 ATOM 2108 C C . ALA A 1 10 ? -3.388 11.224 -10.742 1.00 0.00 ? 10 ALA A C 4 ATOM 2109 O O . ALA A 1 10 ? -4.036 12.185 -11.155 1.00 0.00 ? 10 ALA A O 4 ATOM 2110 C CB . ALA A 1 10 ? -5.434 9.861 -11.203 1.00 0.00 ? 10 ALA A CB 4 ATOM 2111 H H . ALA A 1 10 ? -3.532 8.607 -8.981 1.00 0.00 ? 10 ALA A H 4 ATOM 2112 H HA . ALA A 1 10 ? -3.439 9.138 -11.194 1.00 0.00 ? 10 ALA A HA 4 ATOM 2113 H HB1 . ALA A 1 10 ? -5.382 9.768 -12.278 1.00 0.00 ? 10 ALA A HB1 4 ATOM 2114 H HB2 . ALA A 1 10 ? -6.000 9.036 -10.796 1.00 0.00 ? 10 ALA A HB2 4 ATOM 2115 H HB3 . ALA A 1 10 ? -5.917 10.792 -10.946 1.00 0.00 ? 10 ALA A HB3 4 ATOM 2116 N N . MET A 1 11 ? -2.114 11.315 -10.374 1.00 0.00 ? 11 MET A N 4 ATOM 2117 C CA . MET A 1 11 ? -1.389 12.578 -10.438 1.00 0.00 ? 11 MET A CA 4 ATOM 2118 C C . MET A 1 11 ? -1.281 13.071 -11.878 1.00 0.00 ? 11 MET A C 4 ATOM 2119 O O . MET A 1 11 ? -1.902 14.066 -12.252 1.00 0.00 ? 11 MET A O 4 ATOM 2120 C CB . MET A 1 11 ? 0.008 12.420 -9.835 1.00 0.00 ? 11 MET A CB 4 ATOM 2121 C CG . MET A 1 11 ? 0.005 11.787 -8.453 1.00 0.00 ? 11 MET A CG 4 ATOM 2122 S SD . MET A 1 11 ? 0.917 10.232 -8.399 1.00 0.00 ? 11 MET A SD 4 ATOM 2123 C CE . MET A 1 11 ? 0.132 9.428 -7.004 1.00 0.00 ? 11 MET A CE 4 ATOM 2124 H H . MET A 1 11 ? -1.650 10.514 -10.052 1.00 0.00 ? 11 MET A H 4 ATOM 2125 H HA . MET A 1 11 ? -1.940 13.306 -9.861 1.00 0.00 ? 11 MET A HA 4 ATOM 2126 H HB2 . MET A 1 11 ? 0.602 11.800 -10.490 1.00 0.00 ? 11 MET A HB2 4 ATOM 2127 H HB3 . MET A 1 11 ? 0.468 13.394 -9.760 1.00 0.00 ? 11 MET A HB3 4 ATOM 2128 H HG2 . MET A 1 11 ? 0.457 12.477 -7.755 1.00 0.00 ? 11 MET A HG2 4 ATOM 2129 H HG3 . MET A 1 11 ? -1.017 11.601 -8.160 1.00 0.00 ? 11 MET A HG3 4 ATOM 2130 H HE1 . MET A 1 11 ? -0.197 8.441 -7.296 1.00 0.00 ? 11 MET A HE1 4 ATOM 2131 H HE2 . MET A 1 11 ? 0.838 9.347 -6.191 1.00 0.00 ? 11 MET A HE2 4 ATOM 2132 H HE3 . MET A 1 11 ? -0.719 10.012 -6.685 1.00 0.00 ? 11 MET A HE3 4 ATOM 2133 N N . CYS A 1 12 ? -0.490 12.368 -12.681 1.00 0.00 ? 12 CYS A N 4 ATOM 2134 C CA . CYS A 1 12 ? -0.300 12.734 -14.080 1.00 0.00 ? 12 CYS A CA 4 ATOM 2135 C C . CYS A 1 12 ? -1.642 12.864 -14.795 1.00 0.00 ? 12 CYS A C 4 ATOM 2136 O O . CYS A 1 12 ? -2.630 12.246 -14.401 1.00 0.00 ? 12 CYS A O 4 ATOM 2137 C CB . CYS A 1 12 ? 0.569 11.692 -14.788 1.00 0.00 ? 12 CYS A CB 4 ATOM 2138 S SG . CYS A 1 12 ? -0.275 10.108 -15.098 1.00 0.00 ? 12 CYS A SG 4 ATOM 2139 H H . CYS A 1 12 ? -0.021 11.584 -12.325 1.00 0.00 ? 12 CYS A H 4 ATOM 2140 H HA . CYS A 1 12 ? 0.203 13.689 -14.108 1.00 0.00 ? 12 CYS A HA 4 ATOM 2141 H HB2 . CYS A 1 12 ? 0.885 12.088 -15.742 1.00 0.00 ? 12 CYS A HB2 4 ATOM 2142 H HB3 . CYS A 1 12 ? 1.439 11.489 -14.182 1.00 0.00 ? 12 CYS A HB3 4 ATOM 2143 N N . GLY A 1 13 ? -1.668 13.674 -15.849 1.00 0.00 ? 13 GLY A N 4 ATOM 2144 C CA . GLY A 1 13 ? -2.892 13.871 -16.603 1.00 0.00 ? 13 GLY A CA 4 ATOM 2145 C C . GLY A 1 13 ? -3.665 15.092 -16.145 1.00 0.00 ? 13 GLY A C 4 ATOM 2146 O O . GLY A 1 13 ? -4.492 15.625 -16.884 1.00 0.00 ? 13 GLY A O 4 ATOM 2147 H H . GLY A 1 13 ? -0.849 14.142 -16.117 1.00 0.00 ? 13 GLY A H 4 ATOM 2148 H HA2 . GLY A 1 13 ? -2.645 13.986 -17.647 1.00 0.00 ? 13 GLY A HA2 4 ATOM 2149 H HA3 . GLY A 1 13 ? -3.518 12.999 -16.485 1.00 0.00 ? 13 GLY A HA3 4 ATOM 2150 N N . ALA A 1 14 ? -3.397 15.535 -14.921 1.00 0.00 ? 14 ALA A N 4 ATOM 2151 C CA . ALA A 1 14 ? -4.073 16.701 -14.365 1.00 0.00 ? 14 ALA A CA 4 ATOM 2152 C C . ALA A 1 14 ? -3.111 17.875 -14.218 1.00 0.00 ? 14 ALA A C 4 ATOM 2153 O O . ALA A 1 14 ? -3.322 18.763 -13.393 1.00 0.00 ? 14 ALA A O 4 ATOM 2154 C CB . ALA A 1 14 ? -4.699 16.357 -13.022 1.00 0.00 ? 14 ALA A CB 4 ATOM 2155 H H . ALA A 1 14 ? -2.728 15.068 -14.379 1.00 0.00 ? 14 ALA A H 4 ATOM 2156 H HA . ALA A 1 14 ? -4.866 16.981 -15.043 1.00 0.00 ? 14 ALA A HA 4 ATOM 2157 H HB1 . ALA A 1 14 ? -3.939 15.966 -12.361 1.00 0.00 ? 14 ALA A HB1 4 ATOM 2158 H HB2 . ALA A 1 14 ? -5.131 17.247 -12.588 1.00 0.00 ? 14 ALA A HB2 4 ATOM 2159 H HB3 . ALA A 1 14 ? -5.471 15.615 -13.164 1.00 0.00 ? 14 ALA A HB3 4 ATOM 2160 N N . GLY A 1 15 ? -2.053 17.872 -15.023 1.00 0.00 ? 15 GLY A N 4 ATOM 2161 C CA . GLY A 1 15 ? -1.074 18.941 -14.965 1.00 0.00 ? 15 GLY A CA 4 ATOM 2162 C C . GLY A 1 15 ? 0.217 18.510 -14.297 1.00 0.00 ? 15 GLY A C 4 ATOM 2163 O O . GLY A 1 15 ? 1.258 19.145 -14.474 1.00 0.00 ? 15 GLY A O 4 ATOM 2164 H H . GLY A 1 15 ? -1.936 17.137 -15.661 1.00 0.00 ? 15 GLY A H 4 ATOM 2165 H HA2 . GLY A 1 15 ? -0.855 19.269 -15.970 1.00 0.00 ? 15 GLY A HA2 4 ATOM 2166 H HA3 . GLY A 1 15 ? -1.493 19.768 -14.411 1.00 0.00 ? 15 GLY A HA3 4 ATOM 2167 N N . TYR A 1 16 ? 0.151 17.431 -13.527 1.00 0.00 ? 16 TYR A N 4 ATOM 2168 C CA . TYR A 1 16 ? 1.323 16.918 -12.827 1.00 0.00 ? 16 TYR A CA 4 ATOM 2169 C C . TYR A 1 16 ? 2.437 16.572 -13.810 1.00 0.00 ? 16 TYR A C 4 ATOM 2170 O O . TYR A 1 16 ? 3.620 16.657 -13.480 1.00 0.00 ? 16 TYR A O 4 ATOM 2171 C CB . TYR A 1 16 ? 0.952 15.682 -12.005 1.00 0.00 ? 16 TYR A CB 4 ATOM 2172 C CG . TYR A 1 16 ? 0.662 15.986 -10.552 1.00 0.00 ? 16 TYR A CG 4 ATOM 2173 C CD1 . TYR A 1 16 ? -0.622 16.311 -10.132 1.00 0.00 ? 16 TYR A CD1 4 ATOM 2174 C CD2 . TYR A 1 16 ? 1.673 15.947 -9.599 1.00 0.00 ? 16 TYR A CD2 4 ATOM 2175 C CE1 . TYR A 1 16 ? -0.890 16.590 -8.806 1.00 0.00 ? 16 TYR A CE1 4 ATOM 2176 C CE2 . TYR A 1 16 ? 1.413 16.223 -8.271 1.00 0.00 ? 16 TYR A CE2 4 ATOM 2177 C CZ . TYR A 1 16 ? 0.130 16.545 -7.879 1.00 0.00 ? 16 TYR A CZ 4 ATOM 2178 O OH . TYR A 1 16 ? -0.133 16.821 -6.557 1.00 0.00 ? 16 TYR A OH 4 ATOM 2179 H H . TYR A 1 16 ? -0.707 16.968 -13.425 1.00 0.00 ? 16 TYR A H 4 ATOM 2180 H HA . TYR A 1 16 ? 1.674 17.690 -12.159 1.00 0.00 ? 16 TYR A HA 4 ATOM 2181 H HB2 . TYR A 1 16 ? 0.070 15.227 -12.429 1.00 0.00 ? 16 TYR A HB2 4 ATOM 2182 H HB3 . TYR A 1 16 ? 1.768 14.976 -12.040 1.00 0.00 ? 16 TYR A HB3 4 ATOM 2183 H HD1 . TYR A 1 16 ? -1.419 16.345 -10.861 1.00 0.00 ? 16 TYR A HD1 4 ATOM 2184 H HD2 . TYR A 1 16 ? 2.677 15.695 -9.909 1.00 0.00 ? 16 TYR A HD2 4 ATOM 2185 H HE1 . TYR A 1 16 ? -1.895 16.841 -8.499 1.00 0.00 ? 16 TYR A HE1 4 ATOM 2186 H HE2 . TYR A 1 16 ? 2.212 16.188 -7.545 1.00 0.00 ? 16 TYR A HE2 4 ATOM 2187 H HH . TYR A 1 16 ? -0.920 16.344 -6.282 1.00 0.00 ? 16 TYR A HH 4 ATOM 2188 N N . ASP A 1 17 ? 2.049 16.184 -15.020 1.00 0.00 ? 17 ASP A N 4 ATOM 2189 C CA . ASP A 1 17 ? 3.014 15.827 -16.054 1.00 0.00 ? 17 ASP A CA 4 ATOM 2190 C C . ASP A 1 17 ? 2.791 16.656 -17.315 1.00 0.00 ? 17 ASP A C 4 ATOM 2191 O O . ASP A 1 17 ? 1.960 17.564 -17.334 1.00 0.00 ? 17 ASP A O 4 ATOM 2192 C CB . ASP A 1 17 ? 2.913 14.337 -16.383 1.00 0.00 ? 17 ASP A CB 4 ATOM 2193 C CG . ASP A 1 17 ? 3.263 13.457 -15.200 1.00 0.00 ? 17 ASP A CG 4 ATOM 2194 O OD1 . ASP A 1 17 ? 2.676 13.659 -14.115 1.00 0.00 ? 17 ASP A OD1 4 ATOM 2195 O OD2 . ASP A 1 17 ? 4.122 12.565 -15.357 1.00 0.00 ? 17 ASP A OD2 4 ATOM 2196 H H . ASP A 1 17 ? 1.092 16.137 -15.223 1.00 0.00 ? 17 ASP A H 4 ATOM 2197 H HA . ASP A 1 17 ? 4.002 16.035 -15.672 1.00 0.00 ? 17 ASP A HA 4 ATOM 2198 H HB2 . ASP A 1 17 ? 1.902 14.110 -16.690 1.00 0.00 ? 17 ASP A HB2 4 ATOM 2199 H HB3 . ASP A 1 17 ? 3.590 14.107 -17.193 1.00 0.00 ? 17 ASP A HB3 4 ATOM 2200 N N . SER A 1 18 ? 3.540 16.338 -18.366 1.00 0.00 ? 18 SER A N 4 ATOM 2201 C CA . SER A 1 18 ? 3.427 17.056 -19.630 1.00 0.00 ? 18 SER A CA 4 ATOM 2202 C C . SER A 1 18 ? 2.309 16.474 -20.489 1.00 0.00 ? 18 SER A C 4 ATOM 2203 O O . SER A 1 18 ? 2.636 15.514 -21.187 1.00 0.00 ? 18 SER A O 4 ATOM 2204 C CB . SER A 1 18 ? 4.753 17.001 -20.392 1.00 0.00 ? 18 SER A CB 4 ATOM 2205 O OG . SER A 1 18 ? 5.543 18.147 -20.125 1.00 0.00 ? 18 SER A OG 4 ATOM 2206 H H . SER A 1 18 ? 4.185 15.604 -18.289 1.00 0.00 ? 18 SER A H 4 ATOM 2207 H HA . SER A 1 18 ? 3.193 18.087 -19.406 1.00 0.00 ? 18 SER A HA 4 ATOM 2208 H HB2 . SER A 1 18 ? 5.302 16.122 -20.091 1.00 0.00 ? 18 SER A HB2 4 ATOM 2209 H HB3 . SER A 1 18 ? 4.553 16.955 -21.453 1.00 0.00 ? 18 SER A HB3 4 ATOM 2210 N N . GLY A 1 19 ? 1.167 16.460 -19.768 1.00 0.00 ? 19 GLY A N 4 ATOM 2211 C CA . GLY A 1 19 ? 0.249 15.338 -19.834 1.00 0.00 ? 19 GLY A CA 4 ATOM 2212 C C . GLY A 1 19 ? 0.907 14.081 -20.367 1.00 0.00 ? 19 GLY A C 4 ATOM 2213 O O . GLY A 1 19 ? 0.736 13.728 -21.535 1.00 0.00 ? 19 GLY A O 4 ATOM 2214 H H . GLY A 1 19 ? 0.952 17.234 -19.207 1.00 0.00 ? 19 GLY A H 4 ATOM 2215 H HA2 . GLY A 1 19 ? -0.131 15.140 -18.843 1.00 0.00 ? 19 GLY A HA2 4 ATOM 2216 H HA3 . GLY A 1 19 ? -0.576 15.600 -20.479 1.00 0.00 ? 19 GLY A HA3 4 ATOM 2217 N N . THR A 1 20 ? 1.664 13.401 -19.511 1.00 0.00 ? 20 THR A N 4 ATOM 2218 C CA . THR A 1 20 ? 2.352 12.178 -19.903 1.00 0.00 ? 20 THR A CA 4 ATOM 2219 C C . THR A 1 20 ? 2.594 11.273 -18.700 1.00 0.00 ? 20 THR A C 4 ATOM 2220 O O . THR A 1 20 ? 2.981 11.739 -17.628 1.00 0.00 ? 20 THR A O 4 ATOM 2221 C CB . THR A 1 20 ? 3.701 12.485 -20.580 1.00 0.00 ? 20 THR A CB 4 ATOM 2222 O OG1 . THR A 1 20 ? 4.428 11.270 -20.797 1.00 0.00 ? 20 THR A OG1 4 ATOM 2223 C CG2 . THR A 1 20 ? 4.531 13.433 -19.728 1.00 0.00 ? 20 THR A CG2 4 ATOM 2224 H H . THR A 1 20 ? 1.761 13.733 -18.594 1.00 0.00 ? 20 THR A H 4 ATOM 2225 H HA . THR A 1 20 ? 1.727 11.657 -20.614 1.00 0.00 ? 20 THR A HA 4 ATOM 2226 H HB . THR A 1 20 ? 3.509 12.956 -21.534 1.00 0.00 ? 20 THR A HB 4 ATOM 2227 H HG1 . THR A 1 20 ? 5.205 11.453 -21.330 1.00 0.00 ? 20 THR A HG1 4 ATOM 2228 H HG21 . THR A 1 20 ? 5.560 13.398 -20.050 1.00 0.00 ? 20 THR A HG21 4 ATOM 2229 H HG22 . THR A 1 20 ? 4.467 13.135 -18.692 1.00 0.00 ? 20 THR A HG22 4 ATOM 2230 H HG23 . THR A 1 20 ? 4.153 14.439 -19.837 1.00 0.00 ? 20 THR A HG23 4 ATOM 2231 N N . CYS A 1 21 ? 2.364 9.978 -18.884 1.00 0.00 ? 21 CYS A N 4 ATOM 2232 C CA . CYS A 1 21 ? 2.557 9.007 -17.814 1.00 0.00 ? 21 CYS A CA 4 ATOM 2233 C C . CYS A 1 21 ? 3.424 7.843 -18.286 1.00 0.00 ? 21 CYS A C 4 ATOM 2234 O O . CYS A 1 21 ? 3.966 7.867 -19.392 1.00 0.00 ? 21 CYS A O 4 ATOM 2235 C CB . CYS A 1 21 ? 1.206 8.484 -17.322 1.00 0.00 ? 21 CYS A CB 4 ATOM 2236 S SG . CYS A 1 21 ? -0.038 9.785 -17.044 1.00 0.00 ? 21 CYS A SG 4 ATOM 2237 H H . CYS A 1 21 ? 2.056 9.666 -19.762 1.00 0.00 ? 21 CYS A H 4 ATOM 2238 H HA . CYS A 1 21 ? 3.059 9.506 -17.000 1.00 0.00 ? 21 CYS A HA 4 ATOM 2239 H HB2 . CYS A 1 21 ? 0.806 7.798 -18.054 1.00 0.00 ? 21 CYS A HB2 4 ATOM 2240 H HB3 . CYS A 1 21 ? 1.350 7.961 -16.388 1.00 0.00 ? 21 CYS A HB3 4 ATOM 2241 N N . ASP A 1 22 ? 3.550 6.826 -17.441 1.00 0.00 ? 22 ASP A N 4 ATOM 2242 C CA . ASP A 1 22 ? 4.350 5.652 -17.771 1.00 0.00 ? 22 ASP A CA 4 ATOM 2243 C C . ASP A 1 22 ? 3.877 4.434 -16.984 1.00 0.00 ? 22 ASP A C 4 ATOM 2244 O O . ASP A 1 22 ? 3.211 3.552 -17.526 1.00 0.00 ? 22 ASP A O 4 ATOM 2245 C CB . ASP A 1 22 ? 5.828 5.918 -17.483 1.00 0.00 ? 22 ASP A CB 4 ATOM 2246 C CG . ASP A 1 22 ? 6.646 6.071 -18.751 1.00 0.00 ? 22 ASP A CG 4 ATOM 2247 O OD1 . ASP A 1 22 ? 6.390 5.322 -19.716 1.00 0.00 ? 22 ASP A OD1 4 ATOM 2248 O OD2 . ASP A 1 22 ? 7.543 6.940 -18.777 1.00 0.00 ? 22 ASP A OD2 4 ATOM 2249 H H . ASP A 1 22 ? 3.094 6.866 -16.574 1.00 0.00 ? 22 ASP A H 4 ATOM 2250 H HA . ASP A 1 22 ? 4.228 5.453 -18.825 1.00 0.00 ? 22 ASP A HA 4 ATOM 2251 H HB2 . ASP A 1 22 ? 5.918 6.827 -16.907 1.00 0.00 ? 22 ASP A HB2 4 ATOM 2252 H HB3 . ASP A 1 22 ? 6.231 5.094 -16.913 1.00 0.00 ? 22 ASP A HB3 4 ATOM 2253 N N . TYR A 1 23 ? 4.227 4.391 -15.703 1.00 0.00 ? 23 TYR A N 4 ATOM 2254 C CA . TYR A 1 23 ? 3.841 3.279 -14.842 1.00 0.00 ? 23 TYR A CA 4 ATOM 2255 C C . TYR A 1 23 ? 2.326 3.220 -14.675 1.00 0.00 ? 23 TYR A C 4 ATOM 2256 O O . TYR A 1 23 ? 1.762 2.161 -14.400 1.00 0.00 ? 23 TYR A O 4 ATOM 2257 C CB . TYR A 1 23 ? 4.512 3.410 -13.473 1.00 0.00 ? 23 TYR A CB 4 ATOM 2258 C CG . TYR A 1 23 ? 5.979 3.769 -13.550 1.00 0.00 ? 23 TYR A CG 4 ATOM 2259 C CD1 . TYR A 1 23 ? 6.879 2.955 -14.226 1.00 0.00 ? 23 TYR A CD1 4 ATOM 2260 C CD2 . TYR A 1 23 ? 6.464 4.923 -12.947 1.00 0.00 ? 23 TYR A CD2 4 ATOM 2261 C CE1 . TYR A 1 23 ? 8.220 3.278 -14.297 1.00 0.00 ? 23 TYR A CE1 4 ATOM 2262 C CE2 . TYR A 1 23 ? 7.803 5.255 -13.014 1.00 0.00 ? 23 TYR A CE2 4 ATOM 2263 C CZ . TYR A 1 23 ? 8.677 4.429 -13.690 1.00 0.00 ? 23 TYR A CZ 4 ATOM 2264 O OH . TYR A 1 23 ? 10.012 4.756 -13.760 1.00 0.00 ? 23 TYR A OH 4 ATOM 2265 H H . TYR A 1 23 ? 4.758 5.124 -15.328 1.00 0.00 ? 23 TYR A H 4 ATOM 2266 H HA . TYR A 1 23 ? 4.177 2.365 -15.310 1.00 0.00 ? 23 TYR A HA 4 ATOM 2267 H HB2 . TYR A 1 23 ? 4.012 4.181 -12.908 1.00 0.00 ? 23 TYR A HB2 4 ATOM 2268 H HB3 . TYR A 1 23 ? 4.427 2.471 -12.947 1.00 0.00 ? 23 TYR A HB3 4 ATOM 2269 H HD1 . TYR A 1 23 ? 6.517 2.054 -14.700 1.00 0.00 ? 23 TYR A HD1 4 ATOM 2270 H HD2 . TYR A 1 23 ? 5.777 5.568 -12.418 1.00 0.00 ? 23 TYR A HD2 4 ATOM 2271 H HE1 . TYR A 1 23 ? 8.905 2.632 -14.827 1.00 0.00 ? 23 TYR A HE1 4 ATOM 2272 H HE2 . TYR A 1 23 ? 8.162 6.156 -12.539 1.00 0.00 ? 23 TYR A HE2 4 ATOM 2273 H HH . TYR A 1 23 ? 10.521 3.975 -13.991 1.00 0.00 ? 23 TYR A HH 4 ATOM 2274 N N . MET A 1 24 ? 1.673 4.365 -14.844 1.00 0.00 ? 24 MET A N 4 ATOM 2275 C CA . MET A 1 24 ? 0.223 4.444 -14.714 1.00 0.00 ? 24 MET A CA 4 ATOM 2276 C C . MET A 1 24 ? -0.465 3.589 -15.774 1.00 0.00 ? 24 MET A C 4 ATOM 2277 O O . MET A 1 24 ? -1.425 2.875 -15.482 1.00 0.00 ? 24 MET A O 4 ATOM 2278 C CB . MET A 1 24 ? -0.243 5.896 -14.832 1.00 0.00 ? 24 MET A CB 4 ATOM 2279 C CG . MET A 1 24 ? 0.070 6.736 -13.604 1.00 0.00 ? 24 MET A CG 4 ATOM 2280 S SD . MET A 1 24 ? 1.713 7.476 -13.670 1.00 0.00 ? 24 MET A SD 4 ATOM 2281 C CE . MET A 1 24 ? 2.617 6.392 -12.567 1.00 0.00 ? 24 MET A CE 4 ATOM 2282 H H . MET A 1 24 ? 2.178 5.176 -15.062 1.00 0.00 ? 24 MET A H 4 ATOM 2283 H HA . MET A 1 24 ? -0.043 4.068 -13.737 1.00 0.00 ? 24 MET A HA 4 ATOM 2284 H HB2 . MET A 1 24 ? 0.241 6.349 -15.684 1.00 0.00 ? 24 MET A HB2 4 ATOM 2285 H HB3 . MET A 1 24 ? -1.312 5.908 -14.986 1.00 0.00 ? 24 MET A HB3 4 ATOM 2286 H HG2 . MET A 1 24 ? -0.661 7.527 -13.529 1.00 0.00 ? 24 MET A HG2 4 ATOM 2287 H HG3 . MET A 1 24 ? 0.008 6.106 -12.729 1.00 0.00 ? 24 MET A HG3 4 ATOM 2288 H HE1 . MET A 1 24 ? 3.666 6.408 -12.826 1.00 0.00 ? 24 MET A HE1 4 ATOM 2289 H HE2 . MET A 1 24 ? 2.493 6.730 -11.548 1.00 0.00 ? 24 MET A HE2 4 ATOM 2290 H HE3 . MET A 1 24 ? 2.237 5.385 -12.661 1.00 0.00 ? 24 MET A HE3 4 ATOM 2291 N N . TYR A 1 25 ? 0.030 3.668 -17.004 1.00 0.00 ? 25 TYR A N 4 ATOM 2292 C CA . TYR A 1 25 ? -0.539 2.903 -18.107 1.00 0.00 ? 25 TYR A CA 4 ATOM 2293 C C . TYR A 1 25 ? -0.316 1.408 -17.906 1.00 0.00 ? 25 TYR A C 4 ATOM 2294 O O . TYR A 1 25 ? -0.884 0.582 -18.621 1.00 0.00 ? 25 TYR A O 4 ATOM 2295 C CB . TYR A 1 25 ? 0.077 3.349 -19.435 1.00 0.00 ? 25 TYR A CB 4 ATOM 2296 C CG . TYR A 1 25 ? -0.508 4.635 -19.972 1.00 0.00 ? 25 TYR A CG 4 ATOM 2297 C CD1 . TYR A 1 25 ? -0.485 5.801 -19.216 1.00 0.00 ? 25 TYR A CD1 4 ATOM 2298 C CD2 . TYR A 1 25 ? -1.084 4.685 -21.236 1.00 0.00 ? 25 TYR A CD2 4 ATOM 2299 C CE1 . TYR A 1 25 ? -1.019 6.978 -19.703 1.00 0.00 ? 25 TYR A CE1 4 ATOM 2300 C CE2 . TYR A 1 25 ? -1.619 5.858 -21.731 1.00 0.00 ? 25 TYR A CE2 4 ATOM 2301 C CZ . TYR A 1 25 ? -1.584 7.002 -20.961 1.00 0.00 ? 25 TYR A CZ 4 ATOM 2302 O OH . TYR A 1 25 ? -2.117 8.172 -21.450 1.00 0.00 ? 25 TYR A OH 4 ATOM 2303 H H . TYR A 1 25 ? 0.796 4.255 -17.174 1.00 0.00 ? 25 TYR A H 4 ATOM 2304 H HA . TYR A 1 25 ? -1.601 3.097 -18.132 1.00 0.00 ? 25 TYR A HA 4 ATOM 2305 H HB2 . TYR A 1 25 ? 1.137 3.498 -19.300 1.00 0.00 ? 25 TYR A HB2 4 ATOM 2306 H HB3 . TYR A 1 25 ? -0.082 2.577 -20.174 1.00 0.00 ? 25 TYR A HB3 4 ATOM 2307 H HD1 . TYR A 1 25 ? -0.042 5.779 -18.231 1.00 0.00 ? 25 TYR A HD1 4 ATOM 2308 H HD2 . TYR A 1 25 ? -1.110 3.787 -21.836 1.00 0.00 ? 25 TYR A HD2 4 ATOM 2309 H HE1 . TYR A 1 25 ? -0.992 7.874 -19.101 1.00 0.00 ? 25 TYR A HE1 4 ATOM 2310 H HE2 . TYR A 1 25 ? -2.062 5.877 -22.716 1.00 0.00 ? 25 TYR A HE2 4 ATOM 2311 H HH . TYR A 1 25 ? -2.914 8.391 -20.960 1.00 0.00 ? 25 TYR A HH 4 ATOM 2312 N N . SER A 1 26 ? 0.516 1.066 -16.927 1.00 0.00 ? 26 SER A N 4 ATOM 2313 C CA . SER A 1 26 ? 0.818 -0.329 -16.633 1.00 0.00 ? 26 SER A CA 4 ATOM 2314 C C . SER A 1 26 ? -0.222 -0.923 -15.688 1.00 0.00 ? 26 SER A C 4 ATOM 2315 O O . SER A 1 26 ? 0.085 -1.799 -14.879 1.00 0.00 ? 26 SER A O 4 ATOM 2316 C CB . SER A 1 26 ? 2.213 -0.452 -16.016 1.00 0.00 ? 26 SER A CB 4 ATOM 2317 O OG . SER A 1 26 ? 2.764 -1.736 -16.253 1.00 0.00 ? 26 SER A OG 4 ATOM 2318 H H . SER A 1 26 ? 0.939 1.771 -16.392 1.00 0.00 ? 26 SER A H 4 ATOM 2319 H HA . SER A 1 26 ? 0.796 -0.877 -17.563 1.00 0.00 ? 26 SER A HA 4 ATOM 2320 H HB2 . SER A 1 26 ? 2.863 0.292 -16.451 1.00 0.00 ? 26 SER A HB2 4 ATOM 2321 H HB3 . SER A 1 26 ? 2.147 -0.293 -14.949 1.00 0.00 ? 26 SER A HB3 4 ATOM 2322 H HG . SER A 1 26 ? 3.471 -1.667 -16.900 1.00 0.00 ? 26 SER A HG 4 ATOM 2323 N N . HIS A 1 27 ? -1.455 -0.439 -15.797 1.00 0.00 ? 27 HIS A N 4 ATOM 2324 C CA . HIS A 1 27 ? -2.543 -0.921 -14.953 1.00 0.00 ? 27 HIS A CA 4 ATOM 2325 C C . HIS A 1 27 ? -2.179 -0.800 -13.476 1.00 0.00 ? 27 HIS A C 4 ATOM 2326 O O . HIS A 1 27 ? -2.269 -1.770 -12.722 1.00 0.00 ? 27 HIS A O 4 ATOM 2327 C CB . HIS A 1 27 ? -2.873 -2.375 -15.291 1.00 0.00 ? 27 HIS A CB 4 ATOM 2328 C CG . HIS A 1 27 ? -4.228 -2.807 -14.820 1.00 0.00 ? 27 HIS A CG 4 ATOM 2329 N ND1 . HIS A 1 27 ? -4.587 -4.130 -14.672 1.00 0.00 ? 27 HIS A ND1 4 ATOM 2330 C CD2 . HIS A 1 27 ? -5.313 -2.082 -14.460 1.00 0.00 ? 27 HIS A CD2 4 ATOM 2331 C CE1 . HIS A 1 27 ? -5.835 -4.200 -14.244 1.00 0.00 ? 27 HIS A CE1 4 ATOM 2332 N NE2 . HIS A 1 27 ? -6.298 -2.971 -14.107 1.00 0.00 ? 27 HIS A NE2 4 ATOM 2333 H H . HIS A 1 27 ? -1.638 0.258 -16.460 1.00 0.00 ? 27 HIS A H 4 ATOM 2334 H HA . HIS A 1 27 ? -3.410 -0.309 -15.148 1.00 0.00 ? 27 HIS A HA 4 ATOM 2335 H HB2 . HIS A 1 27 ? -2.839 -2.505 -16.363 1.00 0.00 ? 27 HIS A HB2 4 ATOM 2336 H HB3 . HIS A 1 27 ? -2.139 -3.021 -14.831 1.00 0.00 ? 27 HIS A HB3 4 ATOM 2337 H HD1 . HIS A 1 27 ? -4.013 -4.902 -14.856 1.00 0.00 ? 27 HIS A HD1 4 ATOM 2338 H HD2 . HIS A 1 27 ? -5.391 -1.003 -14.453 1.00 0.00 ? 27 HIS A HD2 4 ATOM 2339 H HE1 . HIS A 1 27 ? -6.383 -5.108 -14.040 1.00 0.00 ? 27 HIS A HE1 4 ATOM 2340 N N . CYS A 1 28 ? -1.767 0.396 -13.069 1.00 0.00 ? 28 CYS A N 4 ATOM 2341 C CA . CYS A 1 28 ? -1.389 0.644 -11.683 1.00 0.00 ? 28 CYS A CA 4 ATOM 2342 C C . CYS A 1 28 ? -2.326 1.659 -11.036 1.00 0.00 ? 28 CYS A C 4 ATOM 2343 O O . CYS A 1 28 ? -2.418 1.743 -9.811 1.00 0.00 ? 28 CYS A O 4 ATOM 2344 C CB . CYS A 1 28 ? 0.054 1.147 -11.609 1.00 0.00 ? 28 CYS A CB 4 ATOM 2345 S SG . CYS A 1 28 ? 0.965 0.580 -10.137 1.00 0.00 ? 28 CYS A SG 4 ATOM 2346 H H . CYS A 1 28 ? -1.716 1.131 -13.717 1.00 0.00 ? 28 CYS A H 4 ATOM 2347 H HA . CYS A 1 28 ? -1.463 -0.289 -11.146 1.00 0.00 ? 28 CYS A HA 4 ATOM 2348 H HB2 . CYS A 1 28 ? 0.593 0.802 -12.480 1.00 0.00 ? 28 CYS A HB2 4 ATOM 2349 H HB3 . CYS A 1 28 ? 0.051 2.227 -11.599 1.00 0.00 ? 28 CYS A HB3 4 ATOM 2350 N N . PHE A 1 29 ? -3.021 2.428 -11.868 1.00 0.00 ? 29 PHE A N 4 ATOM 2351 C CA . PHE A 1 29 ? -3.952 3.438 -11.378 1.00 0.00 ? 29 PHE A CA 4 ATOM 2352 C C . PHE A 1 29 ? -5.378 3.124 -11.820 1.00 0.00 ? 29 PHE A C 4 ATOM 2353 O O . PHE A 1 29 ? -6.344 3.547 -11.186 1.00 0.00 ? 29 PHE A O 4 ATOM 2354 C CB . PHE A 1 29 ? -3.544 4.825 -11.881 1.00 0.00 ? 29 PHE A CB 4 ATOM 2355 C CG . PHE A 1 29 ? -2.421 5.441 -11.097 1.00 0.00 ? 29 PHE A CG 4 ATOM 2356 C CD1 . PHE A 1 29 ? -1.223 4.765 -10.930 1.00 0.00 ? 29 PHE A CD1 4 ATOM 2357 C CD2 . PHE A 1 29 ? -2.563 6.696 -10.527 1.00 0.00 ? 29 PHE A CD2 4 ATOM 2358 C CE1 . PHE A 1 29 ? -0.188 5.329 -10.208 1.00 0.00 ? 29 PHE A CE1 4 ATOM 2359 C CE2 . PHE A 1 29 ? -1.531 7.265 -9.804 1.00 0.00 ? 29 PHE A CE2 4 ATOM 2360 C CZ . PHE A 1 29 ? -0.342 6.581 -9.645 1.00 0.00 ? 29 PHE A CZ 4 ATOM 2361 H H . PHE A 1 29 ? -2.905 2.314 -12.835 1.00 0.00 ? 29 PHE A H 4 ATOM 2362 H HA . PHE A 1 29 ? -3.911 3.430 -10.300 1.00 0.00 ? 29 PHE A HA 4 ATOM 2363 H HB2 . PHE A 1 29 ? -3.226 4.747 -12.910 1.00 0.00 ? 29 PHE A HB2 4 ATOM 2364 H HB3 . PHE A 1 29 ? -4.395 5.486 -11.820 1.00 0.00 ? 29 PHE A HB3 4 ATOM 2365 H HD1 . PHE A 1 29 ? -1.101 3.786 -11.370 1.00 0.00 ? 29 PHE A HD1 4 ATOM 2366 H HD2 . PHE A 1 29 ? -3.493 7.232 -10.651 1.00 0.00 ? 29 PHE A HD2 4 ATOM 2367 H HE1 . PHE A 1 29 ? 0.741 4.792 -10.085 1.00 0.00 ? 29 PHE A HE1 4 ATOM 2368 H HE2 . PHE A 1 29 ? -1.656 8.244 -9.366 1.00 0.00 ? 29 PHE A HE2 4 ATOM 2369 H HZ . PHE A 1 29 ? 0.464 7.024 -9.081 1.00 0.00 ? 29 PHE A HZ 4 ATOM 2370 N N . GLY A 1 30 ? -5.502 2.378 -12.913 1.00 0.00 ? 30 GLY A N 4 ATOM 2371 C CA . GLY A 1 30 ? -6.813 2.020 -13.423 1.00 0.00 ? 30 GLY A CA 4 ATOM 2372 C C . GLY A 1 30 ? -7.280 2.949 -14.525 1.00 0.00 ? 30 GLY A C 4 ATOM 2373 O O . GLY A 1 30 ? -8.481 3.099 -14.753 1.00 0.00 ? 30 GLY A O 4 ATOM 2374 H H . GLY A 1 30 ? -4.696 2.069 -13.378 1.00 0.00 ? 30 GLY A H 4 ATOM 2375 H HA2 . GLY A 1 30 ? -6.774 1.012 -13.808 1.00 0.00 ? 30 GLY A HA2 4 ATOM 2376 H HA3 . GLY A 1 30 ? -7.524 2.057 -12.611 1.00 0.00 ? 30 GLY A HA3 4 ATOM 2377 N N . VAL A 1 31 ? -6.330 3.576 -15.211 1.00 0.00 ? 31 VAL A N 4 ATOM 2378 C CA . VAL A 1 31 ? -6.651 4.496 -16.295 1.00 0.00 ? 31 VAL A CA 4 ATOM 2379 C C . VAL A 1 31 ? -6.443 3.838 -17.655 1.00 0.00 ? 31 VAL A C 4 ATOM 2380 O O . VAL A 1 31 ? -7.165 4.121 -18.611 1.00 0.00 ? 31 VAL A O 4 ATOM 2381 C CB . VAL A 1 31 ? -5.794 5.774 -16.220 1.00 0.00 ? 31 VAL A CB 4 ATOM 2382 C CG1 . VAL A 1 31 ? -6.086 6.538 -14.937 1.00 0.00 ? 31 VAL A CG1 4 ATOM 2383 C CG2 . VAL A 1 31 ? -4.316 5.430 -16.320 1.00 0.00 ? 31 VAL A CG2 4 ATOM 2384 H H . VAL A 1 31 ? -5.391 3.415 -14.983 1.00 0.00 ? 31 VAL A H 4 ATOM 2385 H HA . VAL A 1 31 ? -7.689 4.779 -16.198 1.00 0.00 ? 31 VAL A HA 4 ATOM 2386 H HB . VAL A 1 31 ? -6.052 6.407 -17.056 1.00 0.00 ? 31 VAL A HB 4 ATOM 2387 H HG11 . VAL A 1 31 ? -7.080 6.958 -14.988 1.00 0.00 ? 31 VAL A HG11 4 ATOM 2388 H HG12 . VAL A 1 31 ? -6.021 5.866 -14.094 1.00 0.00 ? 31 VAL A HG12 4 ATOM 2389 H HG13 . VAL A 1 31 ? -5.365 7.334 -14.820 1.00 0.00 ? 31 VAL A HG13 4 ATOM 2390 H HG21 . VAL A 1 31 ? -4.112 4.992 -17.286 1.00 0.00 ? 31 VAL A HG21 4 ATOM 2391 H HG22 . VAL A 1 31 ? -3.729 6.328 -16.200 1.00 0.00 ? 31 VAL A HG22 4 ATOM 2392 H HG23 . VAL A 1 31 ? -4.056 4.725 -15.543 1.00 0.00 ? 31 VAL A HG23 4 ATOM 2393 N N . LYS A 1 32 ? -5.451 2.958 -17.734 1.00 0.00 ? 32 LYS A N 4 ATOM 2394 C CA . LYS A 1 32 ? -5.148 2.256 -18.975 1.00 0.00 ? 32 LYS A CA 4 ATOM 2395 C C . LYS A 1 32 ? -6.368 1.495 -19.482 1.00 0.00 ? 32 LYS A C 4 ATOM 2396 O O . LYS A 1 32 ? -6.933 0.662 -18.772 1.00 0.00 ? 32 LYS A O 4 ATOM 2397 C CB . LYS A 1 32 ? -3.980 1.289 -18.766 1.00 0.00 ? 32 LYS A CB 4 ATOM 2398 C CG . LYS A 1 32 ? -3.604 0.511 -20.015 1.00 0.00 ? 32 LYS A CG 4 ATOM 2399 C CD . LYS A 1 32 ? -2.643 1.295 -20.893 1.00 0.00 ? 32 LYS A CD 4 ATOM 2400 C CE . LYS A 1 32 ? -3.372 2.345 -21.718 1.00 0.00 ? 32 LYS A CE 4 ATOM 2401 N NZ . LYS A 1 32 ? -2.811 2.457 -23.093 1.00 0.00 ? 32 LYS A NZ 4 ATOM 2402 H H . LYS A 1 32 ? -4.910 2.774 -16.937 1.00 0.00 ? 32 LYS A H 4 ATOM 2403 H HA . LYS A 1 32 ? -4.866 2.993 -19.713 1.00 0.00 ? 32 LYS A HA 4 ATOM 2404 H HB2 . LYS A 1 32 ? -3.116 1.850 -18.443 1.00 0.00 ? 32 LYS A HB2 4 ATOM 2405 H HB3 . LYS A 1 32 ? -4.249 0.582 -17.995 1.00 0.00 ? 32 LYS A HB3 4 ATOM 2406 H HG2 . LYS A 1 32 ? -3.133 -0.416 -19.723 1.00 0.00 ? 32 LYS A HG2 4 ATOM 2407 H HG3 . LYS A 1 32 ? -4.501 0.298 -20.580 1.00 0.00 ? 32 LYS A HG3 4 ATOM 2408 H HD2 . LYS A 1 32 ? -1.917 1.789 -20.264 1.00 0.00 ? 32 LYS A HD2 4 ATOM 2409 H HD3 . LYS A 1 32 ? -2.138 0.611 -21.560 1.00 0.00 ? 32 LYS A HD3 4 ATOM 2410 H HE2 . LYS A 1 32 ? -4.414 2.071 -21.785 1.00 0.00 ? 32 LYS A HE2 4 ATOM 2411 H HE3 . LYS A 1 32 ? -3.282 3.300 -21.222 1.00 0.00 ? 32 LYS A HE3 4 ATOM 2412 H HZ1 . LYS A 1 32 ? -3.421 1.958 -23.770 1.00 0.00 ? 32 LYS A HZ1 4 ATOM 2413 H HZ2 . LYS A 1 32 ? -1.859 2.038 -23.125 1.00 0.00 ? 32 LYS A HZ2 4 ATOM 2414 H HZ3 . LYS A 1 32 ? -2.746 3.457 -23.371 1.00 0.00 ? 32 LYS A HZ3 4 ATOM 2415 N N . HIS A 1 33 ? -6.770 1.784 -20.716 1.00 0.00 ? 33 HIS A N 4 ATOM 2416 C CA . HIS A 1 33 ? -7.923 1.124 -21.319 1.00 0.00 ? 33 HIS A CA 4 ATOM 2417 C C . HIS A 1 33 ? -7.647 -0.361 -21.536 1.00 0.00 ? 33 HIS A C 4 ATOM 2418 O O . HIS A 1 33 ? -6.577 -0.740 -22.013 1.00 0.00 ? 33 HIS A O 4 ATOM 2419 C CB . HIS A 1 33 ? -8.280 1.789 -22.649 1.00 0.00 ? 33 HIS A CB 4 ATOM 2420 C CG . HIS A 1 33 ? -8.787 3.190 -22.501 1.00 0.00 ? 33 HIS A CG 4 ATOM 2421 N ND1 . HIS A 1 33 ? -9.644 3.578 -21.493 1.00 0.00 ? 33 HIS A ND1 4 ATOM 2422 C CD2 . HIS A 1 33 ? -8.552 4.299 -23.240 1.00 0.00 ? 33 HIS A CD2 4 ATOM 2423 C CE1 . HIS A 1 33 ? -9.915 4.865 -21.619 1.00 0.00 ? 33 HIS A CE1 4 ATOM 2424 N NE2 . HIS A 1 33 ? -9.265 5.326 -22.672 1.00 0.00 ? 33 HIS A NE2 4 ATOM 2425 H H . HIS A 1 33 ? -6.280 2.456 -21.233 1.00 0.00 ? 33 HIS A H 4 ATOM 2426 H HA . HIS A 1 33 ? -8.756 1.227 -20.640 1.00 0.00 ? 33 HIS A HA 4 ATOM 2427 H HB2 . HIS A 1 33 ? -7.401 1.819 -23.276 1.00 0.00 ? 33 HIS A HB2 4 ATOM 2428 H HB3 . HIS A 1 33 ? -9.047 1.207 -23.140 1.00 0.00 ? 33 HIS A HB3 4 ATOM 2429 H HD1 . HIS A 1 33 ? -10.001 2.996 -20.790 1.00 0.00 ? 33 HIS A HD1 4 ATOM 2430 H HD2 . HIS A 1 33 ? -7.921 4.365 -24.116 1.00 0.00 ? 33 HIS A HD2 4 ATOM 2431 H HE1 . HIS A 1 33 ? -10.559 5.442 -20.972 1.00 0.00 ? 33 HIS A HE1 4 ATOM 2432 N N . SER A 1 34 ? -8.619 -1.196 -21.184 1.00 0.00 ? 34 SER A N 4 ATOM 2433 C CA . SER A 1 34 ? -8.479 -2.640 -21.336 1.00 0.00 ? 34 SER A CA 4 ATOM 2434 C C . SER A 1 34 ? -9.292 -3.142 -22.525 1.00 0.00 ? 34 SER A C 4 ATOM 2435 O O . SER A 1 34 ? -9.948 -4.180 -22.448 1.00 0.00 ? 34 SER A O 4 ATOM 2436 C CB . SER A 1 34 ? -8.926 -3.354 -20.060 1.00 0.00 ? 34 SER A CB 4 ATOM 2437 O OG . SER A 1 34 ? -8.569 -4.725 -20.091 1.00 0.00 ? 34 SER A OG 4 ATOM 2438 H H . SER A 1 34 ? -9.449 -0.833 -20.809 1.00 0.00 ? 34 SER A H 4 ATOM 2439 H HA . SER A 1 34 ? -7.435 -2.855 -21.512 1.00 0.00 ? 34 SER A HA 4 ATOM 2440 H HB2 . SER A 1 34 ? -8.454 -2.891 -19.206 1.00 0.00 ? 34 SER A HB2 4 ATOM 2441 H HB3 . SER A 1 34 ? -10.000 -3.276 -19.964 1.00 0.00 ? 34 SER A HB3 4 ATOM 2442 H HG . SER A 1 34 ? -8.804 -5.137 -19.256 1.00 0.00 ? 34 SER A HG 4 ATOM 2443 N N . SER A 1 35 ? -9.243 -2.396 -23.625 1.00 0.00 ? 35 SER A N 4 ATOM 2444 C CA . SER A 1 35 ? -9.977 -2.763 -24.830 1.00 0.00 ? 35 SER A CA 4 ATOM 2445 C C . SER A 1 35 ? -9.331 -3.962 -25.516 1.00 0.00 ? 35 SER A C 4 ATOM 2446 O O . SER A 1 35 ? -8.590 -3.812 -26.486 1.00 0.00 ? 35 SER A O 4 ATOM 2447 C CB . SER A 1 35 ? -10.036 -1.578 -25.797 1.00 0.00 ? 35 SER A CB 4 ATOM 2448 O OG . SER A 1 35 ? -10.893 -1.855 -26.891 1.00 0.00 ? 35 SER A OG 4 ATOM 2449 H H . SER A 1 35 ? -8.701 -1.579 -23.624 1.00 0.00 ? 35 SER A H 4 ATOM 2450 H HA . SER A 1 35 ? -10.982 -3.028 -24.538 1.00 0.00 ? 35 SER A HA 4 ATOM 2451 H HB2 . SER A 1 35 ? -10.407 -0.709 -25.275 1.00 0.00 ? 35 SER A HB2 4 ATOM 2452 H HB3 . SER A 1 35 ? -9.044 -1.376 -26.174 1.00 0.00 ? 35 SER A HB3 4 ATOM 2453 H HG . SER A 1 35 ? -11.805 -1.857 -26.591 1.00 0.00 ? 35 SER A HG 4 ATOM 2454 N N . GLY A 1 36 ? -9.620 -5.155 -25.004 1.00 0.00 ? 36 GLY A N 4 ATOM 2455 C CA . GLY A 1 36 ? -9.060 -6.364 -25.579 1.00 0.00 ? 36 GLY A CA 4 ATOM 2456 C C . GLY A 1 36 ? -9.583 -7.620 -24.912 1.00 0.00 ? 36 GLY A C 4 ATOM 2457 O O . GLY A 1 36 ? -10.240 -7.552 -23.874 1.00 0.00 ? 36 GLY A O 4 ATOM 2458 H H . GLY A 1 36 ? -10.218 -5.215 -24.230 1.00 0.00 ? 36 GLY A H 4 ATOM 2459 H HA2 . GLY A 1 36 ? -9.306 -6.398 -26.630 1.00 0.00 ? 36 GLY A HA2 4 ATOM 2460 H HA3 . GLY A 1 36 ? -7.985 -6.335 -25.473 1.00 0.00 ? 36 GLY A HA3 4 ATOM 2461 N N . GLY A 1 37 ? -9.294 -8.772 -25.510 1.00 0.00 ? 37 GLY A N 4 ATOM 2462 C CA . GLY A 1 37 ? -9.749 -10.032 -24.954 1.00 0.00 ? 37 GLY A CA 4 ATOM 2463 C C . GLY A 1 37 ? -8.613 -10.862 -24.390 1.00 0.00 ? 37 GLY A C 4 ATOM 2464 O O . GLY A 1 37 ? -8.260 -10.730 -23.219 1.00 0.00 ? 37 GLY A O 4 ATOM 2465 H H . GLY A 1 37 ? -8.766 -8.765 -26.336 1.00 0.00 ? 37 GLY A H 4 ATOM 2466 H HA2 . GLY A 1 37 ? -10.459 -9.830 -24.165 1.00 0.00 ? 37 GLY A HA2 4 ATOM 2467 H HA3 . GLY A 1 37 ? -10.242 -10.598 -25.731 1.00 0.00 ? 37 GLY A HA3 4 ATOM 2468 N N . GLY A 1 38 ? -8.038 -11.722 -25.226 1.00 0.00 ? 38 GLY A N 4 ATOM 2469 C CA . GLY A 1 38 ? -6.943 -12.565 -24.786 1.00 0.00 ? 38 GLY A CA 4 ATOM 2470 C C . GLY A 1 38 ? -7.421 -13.794 -24.039 1.00 0.00 ? 38 GLY A C 4 ATOM 2471 O O . GLY A 1 38 ? -8.610 -13.936 -23.760 1.00 0.00 ? 38 GLY A O 4 ATOM 2472 H H . GLY A 1 38 ? -8.362 -11.784 -26.150 1.00 0.00 ? 38 GLY A H 4 ATOM 2473 H HA2 . GLY A 1 38 ? -6.375 -12.879 -25.649 1.00 0.00 ? 38 GLY A HA2 4 ATOM 2474 H HA3 . GLY A 1 38 ? -6.300 -11.990 -24.135 1.00 0.00 ? 38 GLY A HA3 4 ATOM 2475 N N . GLY A 1 39 ? -6.491 -14.688 -23.716 1.00 0.00 ? 39 GLY A N 4 ATOM 2476 C CA . GLY A 1 39 ? -6.844 -15.901 -23.002 1.00 0.00 ? 39 GLY A CA 4 ATOM 2477 C C . GLY A 1 39 ? -5.627 -16.703 -22.585 1.00 0.00 ? 39 GLY A C 4 ATOM 2478 O O . GLY A 1 39 ? -5.482 -17.063 -21.417 1.00 0.00 ? 39 GLY A O 4 ATOM 2479 H H . GLY A 1 39 ? -5.557 -14.522 -23.965 1.00 0.00 ? 39 GLY A H 4 ATOM 2480 H HA2 . GLY A 1 39 ? -7.406 -15.635 -22.119 1.00 0.00 ? 39 GLY A HA2 4 ATOM 2481 H HA3 . GLY A 1 39 ? -7.463 -16.514 -23.640 1.00 0.00 ? 39 GLY A HA3 4 ATOM 2482 N N . SER A 1 40 ? -4.750 -16.987 -23.544 1.00 0.00 ? 40 SER A N 4 ATOM 2483 C CA . SER A 1 40 ? -3.543 -17.757 -23.272 1.00 0.00 ? 40 SER A CA 4 ATOM 2484 C C . SER A 1 40 ? -2.297 -16.892 -23.439 1.00 0.00 ? 40 SER A C 4 ATOM 2485 O O . SER A 1 40 ? -1.314 -17.311 -24.051 1.00 0.00 ? 40 SER A O 4 ATOM 2486 C CB . SER A 1 40 ? -3.465 -18.969 -24.202 1.00 0.00 ? 40 SER A CB 4 ATOM 2487 O OG . SER A 1 40 ? -2.738 -20.027 -23.601 1.00 0.00 ? 40 SER A OG 4 ATOM 2488 H H . SER A 1 40 ? -4.922 -16.672 -24.456 1.00 0.00 ? 40 SER A H 4 ATOM 2489 H HA . SER A 1 40 ? -3.592 -18.101 -22.249 1.00 0.00 ? 40 SER A HA 4 ATOM 2490 H HB2 . SER A 1 40 ? -4.463 -19.314 -24.423 1.00 0.00 ? 40 SER A HB2 4 ATOM 2491 H HB3 . SER A 1 40 ? -2.971 -18.684 -25.119 1.00 0.00 ? 40 SER A HB3 4 ATOM 2492 H HG . SER A 1 40 ? -3.107 -20.868 -23.880 1.00 0.00 ? 40 SER A HG 4 ATOM 2493 N N . TYR A 1 41 ? -2.347 -15.683 -22.892 1.00 0.00 ? 41 TYR A N 4 ATOM 2494 C CA . TYR A 1 41 ? -1.224 -14.756 -22.983 1.00 0.00 ? 41 TYR A CA 4 ATOM 2495 C C . TYR A 1 41 ? -0.422 -14.744 -21.685 1.00 0.00 ? 41 TYR A C 4 ATOM 2496 O O . TYR A 1 41 ? -0.914 -15.152 -20.633 1.00 0.00 ? 41 TYR A O 4 ATOM 2497 C CB . TYR A 1 41 ? -1.725 -13.346 -23.299 1.00 0.00 ? 41 TYR A CB 4 ATOM 2498 C CG . TYR A 1 41 ? -0.736 -12.515 -24.085 1.00 0.00 ? 41 TYR A CG 4 ATOM 2499 C CD1 . TYR A 1 41 ? -0.744 -12.521 -25.475 1.00 0.00 ? 41 TYR A CD1 4 ATOM 2500 C CD2 . TYR A 1 41 ? 0.207 -11.725 -23.440 1.00 0.00 ? 41 TYR A CD2 4 ATOM 2501 C CE1 . TYR A 1 41 ? 0.157 -11.764 -26.198 1.00 0.00 ? 41 TYR A CE1 4 ATOM 2502 C CE2 . TYR A 1 41 ? 1.111 -10.964 -24.154 1.00 0.00 ? 41 TYR A CE2 4 ATOM 2503 C CZ . TYR A 1 41 ? 1.083 -10.987 -25.533 1.00 0.00 ? 41 TYR A CZ 4 ATOM 2504 O OH . TYR A 1 41 ? 1.983 -10.231 -26.249 1.00 0.00 ? 41 TYR A OH 4 ATOM 2505 H H . TYR A 1 41 ? -3.158 -15.405 -22.417 1.00 0.00 ? 41 TYR A H 4 ATOM 2506 H HA . TYR A 1 41 ? -0.584 -15.089 -23.786 1.00 0.00 ? 41 TYR A HA 4 ATOM 2507 H HB2 . TYR A 1 41 ? -2.633 -13.414 -23.877 1.00 0.00 ? 41 TYR A HB2 4 ATOM 2508 H HB3 . TYR A 1 41 ? -1.931 -12.828 -22.373 1.00 0.00 ? 41 TYR A HB3 4 ATOM 2509 H HD1 . TYR A 1 41 ? -1.470 -13.131 -25.993 1.00 0.00 ? 41 TYR A HD1 4 ATOM 2510 H HD2 . TYR A 1 41 ? 0.227 -11.709 -22.359 1.00 0.00 ? 41 TYR A HD2 4 ATOM 2511 H HE1 . TYR A 1 41 ? 0.135 -11.781 -27.278 1.00 0.00 ? 41 TYR A HE1 4 ATOM 2512 H HE2 . TYR A 1 41 ? 1.836 -10.355 -23.634 1.00 0.00 ? 41 TYR A HE2 4 ATOM 2513 H HH . TYR A 1 41 ? 2.209 -9.444 -25.748 1.00 0.00 ? 41 TYR A HH 4 ATOM 2514 N N . HIS A 1 42 ? 0.819 -14.273 -21.769 1.00 0.00 ? 42 HIS A N 4 ATOM 2515 C CA . HIS A 1 42 ? 1.691 -14.206 -20.602 1.00 0.00 ? 42 HIS A CA 4 ATOM 2516 C C . HIS A 1 42 ? 1.630 -12.826 -19.956 1.00 0.00 ? 42 HIS A C 4 ATOM 2517 O O . HIS A 1 42 ? 2.638 -12.309 -19.474 1.00 0.00 ? 42 HIS A O 4 ATOM 2518 C CB . HIS A 1 42 ? 3.131 -14.534 -20.996 1.00 0.00 ? 42 HIS A CB 4 ATOM 2519 C CG . HIS A 1 42 ? 3.918 -15.189 -19.903 1.00 0.00 ? 42 HIS A CG 4 ATOM 2520 N ND1 . HIS A 1 42 ? 5.163 -14.752 -19.505 1.00 0.00 ? 42 HIS A ND1 4 ATOM 2521 C CD2 . HIS A 1 42 ? 3.628 -16.256 -19.121 1.00 0.00 ? 42 HIS A CD2 4 ATOM 2522 C CE1 . HIS A 1 42 ? 5.606 -15.521 -18.527 1.00 0.00 ? 42 HIS A CE1 4 ATOM 2523 N NE2 . HIS A 1 42 ? 4.693 -16.441 -18.274 1.00 0.00 ? 42 HIS A NE2 4 ATOM 2524 H H . HIS A 1 42 ? 1.155 -13.963 -22.635 1.00 0.00 ? 42 HIS A H 4 ATOM 2525 H HA . HIS A 1 42 ? 1.347 -14.939 -19.888 1.00 0.00 ? 42 HIS A HA 4 ATOM 2526 H HB2 . HIS A 1 42 ? 3.122 -15.203 -21.844 1.00 0.00 ? 42 HIS A HB2 4 ATOM 2527 H HB3 . HIS A 1 42 ? 3.640 -13.621 -21.270 1.00 0.00 ? 42 HIS A HB3 4 ATOM 2528 H HD1 . HIS A 1 42 ? 5.651 -13.991 -19.884 1.00 0.00 ? 42 HIS A HD1 4 ATOM 2529 H HD2 . HIS A 1 42 ? 2.726 -16.851 -19.155 1.00 0.00 ? 42 HIS A HD2 4 ATOM 2530 H HE1 . HIS A 1 42 ? 6.553 -15.416 -18.019 1.00 0.00 ? 42 HIS A HE1 4 ATOM 2531 N N . CYS A 1 43 ? 0.440 -12.233 -19.951 1.00 0.00 ? 43 CYS A N 4 ATOM 2532 C CA . CYS A 1 43 ? 0.247 -10.911 -19.366 1.00 0.00 ? 43 CYS A CA 4 ATOM 2533 C C . CYS A 1 43 ? -0.063 -11.017 -17.875 1.00 0.00 ? 43 CYS A C 4 ATOM 2534 O O . CYS A 1 43 ? 0.560 -10.316 -17.079 1.00 0.00 ? 43 CYS A O 4 ATOM 2535 C CB . CYS A 1 43 ? -0.886 -10.174 -20.083 1.00 0.00 ? 43 CYS A CB 4 ATOM 2536 S SG . CYS A 1 43 ? -0.875 -8.370 -19.831 1.00 0.00 ? 43 CYS A SG 4 ATOM 2537 H H . CYS A 1 43 ? -0.327 -12.695 -20.350 1.00 0.00 ? 43 CYS A H 4 ATOM 2538 H HA . CYS A 1 43 ? 1.163 -10.355 -19.492 1.00 0.00 ? 43 CYS A HA 4 ATOM 2539 H HB2 . CYS A 1 43 ? -0.809 -10.358 -21.145 1.00 0.00 ? 43 CYS A HB2 4 ATOM 2540 H HB3 . CYS A 1 43 ? -1.833 -10.551 -19.726 1.00 0.00 ? 43 CYS A HB3 4 HETATM 2541 C C1 . NAG B 2 . ? 6.056 19.361 -20.593 1.00 0.00 ? 101 NAG A C1 4 HETATM 2542 C C2 . NAG B 2 . ? 6.482 20.318 -19.479 1.00 0.00 ? 101 NAG A C2 4 HETATM 2543 C C3 . NAG B 2 . ? 6.937 21.642 -20.101 1.00 0.00 ? 101 NAG A C3 4 HETATM 2544 C C4 . NAG B 2 . ? 8.009 21.346 -21.155 1.00 0.00 ? 101 NAG A C4 4 HETATM 2545 C C5 . NAG B 2 . ? 7.467 20.310 -22.143 1.00 0.00 ? 101 NAG A C5 4 HETATM 2546 C C6 . NAG B 2 . ? 8.521 20.033 -23.217 1.00 0.00 ? 101 NAG A C6 4 HETATM 2547 C C7 . NAG B 2 . ? 5.156 19.769 -17.510 1.00 0.00 ? 101 NAG A C7 4 HETATM 2548 C C8 . NAG B 2 . ? 3.992 20.020 -16.587 1.00 0.00 ? 101 NAG A C8 4 HETATM 2549 N N2 . NAG B 2 . ? 5.351 20.563 -18.581 1.00 0.00 ? 101 NAG A N2 4 HETATM 2550 O O3 . NAG B 2 . ? 7.481 22.494 -19.092 1.00 0.00 ? 101 NAG A O3 4 HETATM 2551 O O4 . NAG B 2 . ? 8.341 22.545 -21.856 1.00 0.00 ? 101 NAG A O4 4 HETATM 2552 O O5 . NAG B 2 . ? 7.161 19.100 -21.454 1.00 0.00 ? 101 NAG A O5 4 HETATM 2553 O O6 . NAG B 2 . ? 8.014 19.070 -24.144 1.00 0.00 ? 101 NAG A O6 4 HETATM 2554 O O7 . NAG B 2 . ? 5.918 18.853 -17.288 1.00 0.00 ? 101 NAG A O7 4 HETATM 2555 H H1 . NAG B 2 . ? 5.243 19.821 -21.174 1.00 0.00 ? 101 NAG A H1 4 HETATM 2556 H H2 . NAG B 2 . ? 7.310 19.874 -18.906 1.00 0.00 ? 101 NAG A H2 4 HETATM 2557 H H3 . NAG B 2 . ? 6.078 22.148 -20.568 1.00 0.00 ? 101 NAG A H3 4 HETATM 2558 H H4 . NAG B 2 . ? 8.912 20.954 -20.664 1.00 0.00 ? 101 NAG A H4 4 HETATM 2559 H H5 . NAG B 2 . ? 6.553 20.701 -22.614 1.00 0.00 ? 101 NAG A H5 4 HETATM 2560 H H61 . NAG B 2 . ? 8.779 20.965 -23.743 1.00 0.00 ? 101 NAG A H61 4 HETATM 2561 H H62 . NAG B 2 . ? 9.445 19.659 -22.751 1.00 0.00 ? 101 NAG A H62 4 HETATM 2562 H H81 . NAG B 2 . ? 4.058 21.041 -16.182 1.00 0.00 ? 101 NAG A H81 4 HETATM 2563 H H82 . NAG B 2 . ? 3.051 19.908 -17.144 1.00 0.00 ? 101 NAG A H82 4 HETATM 2564 H H83 . NAG B 2 . ? 4.016 19.296 -15.759 1.00 0.00 ? 101 NAG A H83 4 HETATM 2565 H HN2 . NAG B 2 . ? 4.723 21.319 -18.764 1.00 0.00 ? 101 NAG A HN2 4 HETATM 2566 H HO3 . NAG B 2 . ? 7.777 23.355 -19.505 1.00 0.00 ? 101 NAG A HO3 4 HETATM 2567 H HO4 . NAG B 2 . ? 9.295 22.505 -22.155 1.00 0.00 ? 101 NAG A HO4 4 HETATM 2568 H HO6 . NAG B 2 . ? 7.450 18.403 -23.657 1.00 0.00 ? 101 NAG A HO6 4 HETATM 2569 C C1 . NAG C 2 . ? 0.387 -6.982 -19.176 1.00 0.00 ? 102 NAG A C1 4 HETATM 2570 C C2 . NAG C 2 . ? 1.167 -6.044 -18.253 1.00 0.00 ? 102 NAG A C2 4 HETATM 2571 C C3 . NAG C 2 . ? 1.741 -4.890 -19.081 1.00 0.00 ? 102 NAG A C3 4 HETATM 2572 C C4 . NAG C 2 . ? 2.543 -5.474 -20.249 1.00 0.00 ? 102 NAG A C4 4 HETATM 2573 C C5 . NAG C 2 . ? 1.658 -6.456 -21.021 1.00 0.00 ? 102 NAG A C5 4 HETATM 2574 C C6 . NAG C 2 . ? 2.442 -7.020 -22.208 1.00 0.00 ? 102 NAG A C6 4 HETATM 2575 C C7 . NAG C 2 . ? 0.123 -6.164 -16.055 1.00 0.00 ? 102 NAG A C7 4 HETATM 2576 C C8 . NAG C 2 . ? -0.798 -5.616 -14.996 1.00 0.00 ? 102 NAG A C8 4 HETATM 2577 N N2 . NAG C 2 . ? 0.272 -5.512 -17.225 1.00 0.00 ? 102 NAG A N2 4 HETATM 2578 O O3 . NAG C 2 . ? 2.597 -4.086 -18.267 1.00 0.00 ? 102 NAG A O3 4 HETATM 2579 O O4 . NAG C 2 . ? 2.962 -4.423 -21.119 1.00 0.00 ? 102 NAG A O4 4 HETATM 2580 O O5 . NAG C 2 . ? 1.260 -7.524 -20.164 1.00 0.00 ? 102 NAG A O5 4 HETATM 2581 O O6 . NAG C 2 . ? 1.616 -7.932 -22.934 1.00 0.00 ? 102 NAG A O6 4 HETATM 2582 O O7 . NAG C 2 . ? 0.732 -7.194 -15.855 1.00 0.00 ? 102 NAG A O7 4 HETATM 2583 H H1 . NAG C 2 . ? -0.417 -6.418 -19.672 1.00 0.00 ? 102 NAG A H1 4 HETATM 2584 H H2 . NAG C 2 . ? 1.986 -6.598 -17.770 1.00 0.00 ? 102 NAG A H2 4 HETATM 2585 H H3 . NAG C 2 . ? 0.922 -4.262 -19.461 1.00 0.00 ? 102 NAG A H3 4 HETATM 2586 H H4 . NAG C 2 . ? 3.430 -5.998 -19.862 1.00 0.00 ? 102 NAG A H4 4 HETATM 2587 H H5 . NAG C 2 . ? 0.763 -5.930 -21.385 1.00 0.00 ? 102 NAG A H5 4 HETATM 2588 H H61 . NAG C 2 . ? 2.771 -6.202 -22.866 1.00 0.00 ? 102 NAG A H61 4 HETATM 2589 H H62 . NAG C 2 . ? 3.349 -7.532 -21.852 1.00 0.00 ? 102 NAG A H62 4 HETATM 2590 H H81 . NAG C 2 . ? -1.204 -6.445 -14.399 1.00 0.00 ? 102 NAG A H81 4 HETATM 2591 H H82 . NAG C 2 . ? -0.238 -4.933 -14.341 1.00 0.00 ? 102 NAG A H82 4 HETATM 2592 H H83 . NAG C 2 . ? -1.624 -5.070 -15.475 1.00 0.00 ? 102 NAG A H83 4 HETATM 2593 H HN2 . NAG C 2 . ? -0.230 -4.663 -17.390 1.00 0.00 ? 102 NAG A HN2 4 HETATM 2594 H HO3 . NAG C 2 . ? 2.970 -3.336 -18.813 1.00 0.00 ? 102 NAG A HO3 4 HETATM 2595 H HO4 . NAG C 2 . ? 3.826 -4.675 -21.556 1.00 0.00 ? 102 NAG A HO4 4 HETATM 2596 H HO6 . NAG C 2 . ? 1.033 -8.434 -22.295 1.00 0.00 ? 102 NAG A HO6 4 ATOM 2597 N N . LYS A 1 1 ? 2.354 -1.636 -3.337 1.00 0.00 ? 1 LYS A N 5 ATOM 2598 C CA . LYS A 1 1 ? 2.737 -1.209 -4.678 1.00 0.00 ? 1 LYS A CA 5 ATOM 2599 C C . LYS A 1 1 ? 4.255 -1.153 -4.818 1.00 0.00 ? 1 LYS A C 5 ATOM 2600 O O . LYS A 1 1 ? 4.991 -1.082 -3.833 1.00 0.00 ? 1 LYS A O 5 ATOM 2601 C CB . LYS A 1 1 ? 2.135 0.163 -4.989 1.00 0.00 ? 1 LYS A CB 5 ATOM 2602 C CG . LYS A 1 1 ? 0.716 0.097 -5.526 1.00 0.00 ? 1 LYS A CG 5 ATOM 2603 C CD . LYS A 1 1 ? 0.351 1.354 -6.297 1.00 0.00 ? 1 LYS A CD 5 ATOM 2604 C CE . LYS A 1 1 ? -1.142 1.636 -6.230 1.00 0.00 ? 1 LYS A CE 5 ATOM 2605 N NZ . LYS A 1 1 ? -1.576 2.581 -7.295 1.00 0.00 ? 1 LYS A NZ 5 ATOM 2606 H H1 . LYS A 1 1 ? 2.533 -1.043 -2.577 1.00 0.00 ? 1 LYS A H1 5 ATOM 2607 H HA . LYS A 1 1 ? 2.349 -1.931 -5.380 1.00 0.00 ? 1 LYS A HA 5 ATOM 2608 H HB2 . LYS A 1 1 ? 2.129 0.754 -4.085 1.00 0.00 ? 1 LYS A HB2 5 ATOM 2609 H HB3 . LYS A 1 1 ? 2.753 0.655 -5.727 1.00 0.00 ? 1 LYS A HB3 5 ATOM 2610 H HG2 . LYS A 1 1 ? 0.629 -0.755 -6.185 1.00 0.00 ? 1 LYS A HG2 5 ATOM 2611 H HG3 . LYS A 1 1 ? 0.032 -0.017 -4.696 1.00 0.00 ? 1 LYS A HG3 5 ATOM 2612 H HD2 . LYS A 1 1 ? 0.883 2.193 -5.873 1.00 0.00 ? 1 LYS A HD2 5 ATOM 2613 H HD3 . LYS A 1 1 ? 0.639 1.228 -7.331 1.00 0.00 ? 1 LYS A HD3 5 ATOM 2614 H HE2 . LYS A 1 1 ? -1.676 0.705 -6.347 1.00 0.00 ? 1 LYS A HE2 5 ATOM 2615 H HE3 . LYS A 1 1 ? -1.371 2.064 -5.265 1.00 0.00 ? 1 LYS A HE3 5 ATOM 2616 H HZ1 . LYS A 1 1 ? -1.517 2.123 -8.227 1.00 0.00 ? 1 LYS A HZ1 5 ATOM 2617 H HZ2 . LYS A 1 1 ? -0.966 3.423 -7.296 1.00 0.00 ? 1 LYS A HZ2 5 ATOM 2618 H HZ3 . LYS A 1 1 ? -2.558 2.880 -7.130 1.00 0.00 ? 1 LYS A HZ3 5 ATOM 2619 N N . PRO A 1 2 ? 4.736 -1.184 -6.069 1.00 0.00 ? 2 PRO A N 5 ATOM 2620 C CA . PRO A 1 2 ? 6.171 -1.136 -6.367 1.00 0.00 ? 2 PRO A CA 5 ATOM 2621 C C . PRO A 1 2 ? 6.781 0.228 -6.062 1.00 0.00 ? 2 PRO A C 5 ATOM 2622 O O . PRO A 1 2 ? 6.144 1.078 -5.440 1.00 0.00 ? 2 PRO A O 5 ATOM 2623 C CB . PRO A 1 2 ? 6.231 -1.424 -7.869 1.00 0.00 ? 2 PRO A CB 5 ATOM 2624 C CG . PRO A 1 2 ? 4.904 -0.994 -8.391 1.00 0.00 ? 2 PRO A CG 5 ATOM 2625 C CD . PRO A 1 2 ? 3.917 -1.268 -7.290 1.00 0.00 ? 2 PRO A CD 5 ATOM 2626 H HA . PRO A 1 2 ? 6.714 -1.900 -5.830 1.00 0.00 ? 2 PRO A HA 5 ATOM 2627 H HB2 . PRO A 1 2 ? 7.035 -0.856 -8.316 1.00 0.00 ? 2 PRO A HB2 5 ATOM 2628 H HB3 . PRO A 1 2 ? 6.395 -2.479 -8.031 1.00 0.00 ? 2 PRO A HB3 5 ATOM 2629 H HG2 . PRO A 1 2 ? 4.924 0.060 -8.623 1.00 0.00 ? 2 PRO A HG2 5 ATOM 2630 H HG3 . PRO A 1 2 ? 4.652 -1.568 -9.271 1.00 0.00 ? 2 PRO A HG3 5 ATOM 2631 H HD2 . PRO A 1 2 ? 3.140 -0.518 -7.285 1.00 0.00 ? 2 PRO A HD2 5 ATOM 2632 H HD3 . PRO A 1 2 ? 3.492 -2.254 -7.401 1.00 0.00 ? 2 PRO A HD3 5 ATOM 2633 N N . ALA A 1 3 ? 8.018 0.430 -6.504 1.00 0.00 ? 3 ALA A N 5 ATOM 2634 C CA . ALA A 1 3 ? 8.713 1.692 -6.280 1.00 0.00 ? 3 ALA A CA 5 ATOM 2635 C C . ALA A 1 3 ? 8.444 2.675 -7.413 1.00 0.00 ? 3 ALA A C 5 ATOM 2636 O O . ALA A 1 3 ? 9.087 3.721 -7.506 1.00 0.00 ? 3 ALA A O 5 ATOM 2637 C CB . ALA A 1 3 ? 10.208 1.452 -6.130 1.00 0.00 ? 3 ALA A CB 5 ATOM 2638 H H . ALA A 1 3 ? 8.474 -0.286 -6.993 1.00 0.00 ? 3 ALA A H 5 ATOM 2639 H HA . ALA A 1 3 ? 8.346 2.115 -5.355 1.00 0.00 ? 3 ALA A HA 5 ATOM 2640 H HB1 . ALA A 1 3 ? 10.694 1.610 -7.081 1.00 0.00 ? 3 ALA A HB1 5 ATOM 2641 H HB2 . ALA A 1 3 ? 10.611 2.138 -5.400 1.00 0.00 ? 3 ALA A HB2 5 ATOM 2642 H HB3 . ALA A 1 3 ? 10.378 0.437 -5.803 1.00 0.00 ? 3 ALA A HB3 5 ATOM 2643 N N . TRP A 1 4 ? 7.492 2.333 -8.273 1.00 0.00 ? 4 TRP A N 5 ATOM 2644 C CA . TRP A 1 4 ? 7.139 3.187 -9.402 1.00 0.00 ? 4 TRP A CA 5 ATOM 2645 C C . TRP A 1 4 ? 5.845 3.946 -9.128 1.00 0.00 ? 4 TRP A C 5 ATOM 2646 O O . TRP A 1 4 ? 5.795 5.170 -9.247 1.00 0.00 ? 4 TRP A O 5 ATOM 2647 C CB . TRP A 1 4 ? 6.994 2.351 -10.675 1.00 0.00 ? 4 TRP A CB 5 ATOM 2648 C CG . TRP A 1 4 ? 7.699 1.030 -10.601 1.00 0.00 ? 4 TRP A CG 5 ATOM 2649 C CD1 . TRP A 1 4 ? 8.990 0.811 -10.213 1.00 0.00 ? 4 TRP A CD1 5 ATOM 2650 C CD2 . TRP A 1 4 ? 7.152 -0.252 -10.926 1.00 0.00 ? 4 TRP A CD2 5 ATOM 2651 N NE1 . TRP A 1 4 ? 9.278 -0.531 -10.277 1.00 0.00 ? 4 TRP A NE1 5 ATOM 2652 C CE2 . TRP A 1 4 ? 8.167 -1.205 -10.711 1.00 0.00 ? 4 TRP A CE2 5 ATOM 2653 C CE3 . TRP A 1 4 ? 5.903 -0.689 -11.375 1.00 0.00 ? 4 TRP A CE3 5 ATOM 2654 C CZ2 . TRP A 1 4 ? 7.970 -2.565 -10.932 1.00 0.00 ? 4 TRP A CZ2 5 ATOM 2655 C CZ3 . TRP A 1 4 ? 5.709 -2.040 -11.594 1.00 0.00 ? 4 TRP A CZ3 5 ATOM 2656 C CH2 . TRP A 1 4 ? 6.738 -2.965 -11.372 1.00 0.00 ? 4 TRP A CH2 5 ATOM 2657 H H . TRP A 1 4 ? 7.014 1.487 -8.147 1.00 0.00 ? 4 TRP A H 5 ATOM 2658 H HA . TRP A 1 4 ? 7.939 3.900 -9.540 1.00 0.00 ? 4 TRP A HA 5 ATOM 2659 H HB2 . TRP A 1 4 ? 5.947 2.160 -10.856 1.00 0.00 ? 4 TRP A HB2 5 ATOM 2660 H HB3 . TRP A 1 4 ? 7.405 2.903 -11.508 1.00 0.00 ? 4 TRP A HB3 5 ATOM 2661 H HD1 . TRP A 1 4 ? 9.673 1.588 -9.906 1.00 0.00 ? 4 TRP A HD1 5 ATOM 2662 H HE1 . TRP A 1 4 ? 10.140 -0.939 -10.048 1.00 0.00 ? 4 TRP A HE1 5 ATOM 2663 H HE3 . TRP A 1 4 ? 5.098 0.009 -11.553 1.00 0.00 ? 4 TRP A HE3 5 ATOM 2664 H HZ2 . TRP A 1 4 ? 8.753 -3.291 -10.764 1.00 0.00 ? 4 TRP A HZ2 5 ATOM 2665 H HZ3 . TRP A 1 4 ? 4.750 -2.396 -11.942 1.00 0.00 ? 4 TRP A HZ3 5 ATOM 2666 H HH2 . TRP A 1 4 ? 6.541 -4.010 -11.556 1.00 0.00 ? 4 TRP A HH2 5 ATOM 2667 N N . CYS A 1 5 ? 4.801 3.212 -8.759 1.00 0.00 ? 5 CYS A N 5 ATOM 2668 C CA . CYS A 1 5 ? 3.506 3.815 -8.467 1.00 0.00 ? 5 CYS A CA 5 ATOM 2669 C C . CYS A 1 5 ? 3.449 4.310 -7.025 1.00 0.00 ? 5 CYS A C 5 ATOM 2670 O O . CYS A 1 5 ? 4.467 4.360 -6.334 1.00 0.00 ? 5 CYS A O 5 ATOM 2671 C CB . CYS A 1 5 ? 2.382 2.807 -8.717 1.00 0.00 ? 5 CYS A CB 5 ATOM 2672 S SG . CYS A 1 5 ? 2.577 1.841 -10.249 1.00 0.00 ? 5 CYS A SG 5 ATOM 2673 H H . CYS A 1 5 ? 4.903 2.239 -8.681 1.00 0.00 ? 5 CYS A H 5 ATOM 2674 H HA . CYS A 1 5 ? 3.376 4.657 -9.129 1.00 0.00 ? 5 CYS A HA 5 ATOM 2675 H HB2 . CYS A 1 5 ? 2.345 2.110 -7.892 1.00 0.00 ? 5 CYS A HB2 5 ATOM 2676 H HB3 . CYS A 1 5 ? 1.443 3.335 -8.778 1.00 0.00 ? 5 CYS A HB3 5 ATOM 2677 N N . TRP A 1 6 ? 2.253 4.673 -6.577 1.00 0.00 ? 6 TRP A N 5 ATOM 2678 C CA . TRP A 1 6 ? 2.063 5.164 -5.217 1.00 0.00 ? 6 TRP A CA 5 ATOM 2679 C C . TRP A 1 6 ? 0.629 4.935 -4.751 1.00 0.00 ? 6 TRP A C 5 ATOM 2680 O O . TRP A 1 6 ? 0.394 4.541 -3.608 1.00 0.00 ? 6 TRP A O 5 ATOM 2681 C CB . TRP A 1 6 ? 2.407 6.653 -5.137 1.00 0.00 ? 6 TRP A CB 5 ATOM 2682 C CG . TRP A 1 6 ? 3.147 7.025 -3.888 1.00 0.00 ? 6 TRP A CG 5 ATOM 2683 C CD1 . TRP A 1 6 ? 4.471 7.342 -3.784 1.00 0.00 ? 6 TRP A CD1 5 ATOM 2684 C CD2 . TRP A 1 6 ? 2.605 7.117 -2.566 1.00 0.00 ? 6 TRP A CD2 5 ATOM 2685 N NE1 . TRP A 1 6 ? 4.785 7.626 -2.476 1.00 0.00 ? 6 TRP A NE1 5 ATOM 2686 C CE2 . TRP A 1 6 ? 3.657 7.496 -1.710 1.00 0.00 ? 6 TRP A CE2 5 ATOM 2687 C CE3 . TRP A 1 6 ? 1.332 6.919 -2.023 1.00 0.00 ? 6 TRP A CE3 5 ATOM 2688 C CZ2 . TRP A 1 6 ? 3.474 7.678 -0.341 1.00 0.00 ? 6 TRP A CZ2 5 ATOM 2689 C CZ3 . TRP A 1 6 ? 1.153 7.100 -0.664 1.00 0.00 ? 6 TRP A CZ3 5 ATOM 2690 C CH2 . TRP A 1 6 ? 2.218 7.477 0.164 1.00 0.00 ? 6 TRP A CH2 5 ATOM 2691 H H . TRP A 1 6 ? 1.479 4.611 -7.175 1.00 0.00 ? 6 TRP A H 5 ATOM 2692 H HA . TRP A 1 6 ? 2.732 4.615 -4.571 1.00 0.00 ? 6 TRP A HA 5 ATOM 2693 H HB2 . TRP A 1 6 ? 3.024 6.919 -5.982 1.00 0.00 ? 6 TRP A HB2 5 ATOM 2694 H HB3 . TRP A 1 6 ? 1.492 7.227 -5.168 1.00 0.00 ? 6 TRP A HB3 5 ATOM 2695 H HD1 . TRP A 1 6 ? 5.159 7.361 -4.615 1.00 0.00 ? 6 TRP A HD1 5 ATOM 2696 H HE1 . TRP A 1 6 ? 5.672 7.881 -2.147 1.00 0.00 ? 6 TRP A HE1 5 ATOM 2697 H HE3 . TRP A 1 6 ? 0.499 6.628 -2.644 1.00 0.00 ? 6 TRP A HE3 5 ATOM 2698 H HZ2 . TRP A 1 6 ? 4.285 7.969 0.310 1.00 0.00 ? 6 TRP A HZ2 5 ATOM 2699 H HZ3 . TRP A 1 6 ? 0.177 6.951 -0.226 1.00 0.00 ? 6 TRP A HZ3 5 ATOM 2700 H HH2 . TRP A 1 6 ? 2.032 7.607 1.219 1.00 0.00 ? 6 TRP A HH2 5 ATOM 2701 N N . TYR A 1 7 ? -0.324 5.184 -5.641 1.00 0.00 ? 7 TYR A N 5 ATOM 2702 C CA . TYR A 1 7 ? -1.735 5.006 -5.319 1.00 0.00 ? 7 TYR A CA 5 ATOM 2703 C C . TYR A 1 7 ? -2.611 5.290 -6.536 1.00 0.00 ? 7 TYR A C 5 ATOM 2704 O O . TYR A 1 7 ? -2.121 5.389 -7.661 1.00 0.00 ? 7 TYR A O 5 ATOM 2705 C CB . TYR A 1 7 ? -2.136 5.924 -4.163 1.00 0.00 ? 7 TYR A CB 5 ATOM 2706 C CG . TYR A 1 7 ? -3.026 5.256 -3.140 1.00 0.00 ? 7 TYR A CG 5 ATOM 2707 C CD1 . TYR A 1 7 ? -2.627 4.090 -2.498 1.00 0.00 ? 7 TYR A CD1 5 ATOM 2708 C CD2 . TYR A 1 7 ? -4.268 5.789 -2.816 1.00 0.00 ? 7 TYR A CD2 5 ATOM 2709 C CE1 . TYR A 1 7 ? -3.438 3.475 -1.564 1.00 0.00 ? 7 TYR A CE1 5 ATOM 2710 C CE2 . TYR A 1 7 ? -5.084 5.182 -1.882 1.00 0.00 ? 7 TYR A CE2 5 ATOM 2711 C CZ . TYR A 1 7 ? -4.665 4.026 -1.258 1.00 0.00 ? 7 TYR A CZ 5 ATOM 2712 O OH . TYR A 1 7 ? -5.476 3.417 -0.328 1.00 0.00 ? 7 TYR A OH 5 ATOM 2713 H H . TYR A 1 7 ? -0.074 5.495 -6.536 1.00 0.00 ? 7 TYR A H 5 ATOM 2714 H HA . TYR A 1 7 ? -1.880 3.979 -5.018 1.00 0.00 ? 7 TYR A HA 5 ATOM 2715 H HB2 . TYR A 1 7 ? -1.245 6.262 -3.656 1.00 0.00 ? 7 TYR A HB2 5 ATOM 2716 H HB3 . TYR A 1 7 ? -2.666 6.778 -4.558 1.00 0.00 ? 7 TYR A HB3 5 ATOM 2717 H HD1 . TYR A 1 7 ? -1.665 3.661 -2.739 1.00 0.00 ? 7 TYR A HD1 5 ATOM 2718 H HD2 . TYR A 1 7 ? -4.593 6.695 -3.307 1.00 0.00 ? 7 TYR A HD2 5 ATOM 2719 H HE1 . TYR A 1 7 ? -3.110 2.570 -1.075 1.00 0.00 ? 7 TYR A HE1 5 ATOM 2720 H HE2 . TYR A 1 7 ? -6.046 5.613 -1.643 1.00 0.00 ? 7 TYR A HE2 5 ATOM 2721 H HH . TYR A 1 7 ? -4.990 3.299 0.491 1.00 0.00 ? 7 TYR A HH 5 ATOM 2722 N N . THR A 1 8 ? -3.913 5.422 -6.301 1.00 0.00 ? 8 THR A N 5 ATOM 2723 C CA . THR A 1 8 ? -4.860 5.694 -7.376 1.00 0.00 ? 8 THR A CA 5 ATOM 2724 C C . THR A 1 8 ? -5.272 7.162 -7.386 1.00 0.00 ? 8 THR A C 5 ATOM 2725 O O . THR A 1 8 ? -6.367 7.506 -7.834 1.00 0.00 ? 8 THR A O 5 ATOM 2726 C CB . THR A 1 8 ? -6.121 4.819 -7.249 1.00 0.00 ? 8 THR A CB 5 ATOM 2727 O OG1 . THR A 1 8 ? -5.760 3.497 -6.833 1.00 0.00 ? 8 THR A OG1 5 ATOM 2728 C CG2 . THR A 1 8 ? -6.869 4.753 -8.572 1.00 0.00 ? 8 THR A CG2 5 ATOM 2729 H H . THR A 1 8 ? -4.244 5.332 -5.383 1.00 0.00 ? 8 THR A H 5 ATOM 2730 H HA . THR A 1 8 ? -4.377 5.459 -8.313 1.00 0.00 ? 8 THR A HA 5 ATOM 2731 H HB . THR A 1 8 ? -6.771 5.257 -6.505 1.00 0.00 ? 8 THR A HB 5 ATOM 2732 H HG1 . THR A 1 8 ? -5.645 3.482 -5.880 1.00 0.00 ? 8 THR A HG1 5 ATOM 2733 H HG21 . THR A 1 8 ? -6.380 5.390 -9.293 1.00 0.00 ? 8 THR A HG21 5 ATOM 2734 H HG22 . THR A 1 8 ? -7.886 5.088 -8.427 1.00 0.00 ? 8 THR A HG22 5 ATOM 2735 H HG23 . THR A 1 8 ? -6.873 3.736 -8.933 1.00 0.00 ? 8 THR A HG23 5 ATOM 2736 N N . LEU A 1 9 ? -4.390 8.023 -6.892 1.00 0.00 ? 9 LEU A N 5 ATOM 2737 C CA . LEU A 1 9 ? -4.662 9.455 -6.846 1.00 0.00 ? 9 LEU A CA 5 ATOM 2738 C C . LEU A 1 9 ? -4.743 10.040 -8.252 1.00 0.00 ? 9 LEU A C 5 ATOM 2739 O O . LEU A 1 9 ? -5.429 11.036 -8.482 1.00 0.00 ? 9 LEU A O 5 ATOM 2740 C CB . LEU A 1 9 ? -3.576 10.175 -6.043 1.00 0.00 ? 9 LEU A CB 5 ATOM 2741 C CG . LEU A 1 9 ? -3.883 10.416 -4.565 1.00 0.00 ? 9 LEU A CG 5 ATOM 2742 C CD1 . LEU A 1 9 ? -2.704 9.999 -3.700 1.00 0.00 ? 9 LEU A CD1 5 ATOM 2743 C CD2 . LEU A 1 9 ? -4.233 11.877 -4.324 1.00 0.00 ? 9 LEU A CD2 5 ATOM 2744 H H . LEU A 1 9 ? -3.535 7.689 -6.551 1.00 0.00 ? 9 LEU A H 5 ATOM 2745 H HA . LEU A 1 9 ? -5.614 9.596 -6.355 1.00 0.00 ? 9 LEU A HA 5 ATOM 2746 H HB2 . LEU A 1 9 ? -2.675 9.584 -6.102 1.00 0.00 ? 9 LEU A HB2 5 ATOM 2747 H HB3 . LEU A 1 9 ? -3.405 11.136 -6.508 1.00 0.00 ? 9 LEU A HB3 5 ATOM 2748 H HG . LEU A 1 9 ? -4.736 9.816 -4.278 1.00 0.00 ? 9 LEU A HG 5 ATOM 2749 H HD11 . LEU A 1 9 ? -2.296 9.071 -4.071 1.00 0.00 ? 9 LEU A HD11 5 ATOM 2750 H HD12 . LEU A 1 9 ? -3.035 9.864 -2.681 1.00 0.00 ? 9 LEU A HD12 5 ATOM 2751 H HD13 . LEU A 1 9 ? -1.944 10.766 -3.733 1.00 0.00 ? 9 LEU A HD13 5 ATOM 2752 H HD21 . LEU A 1 9 ? -3.474 12.506 -4.766 1.00 0.00 ? 9 LEU A HD21 5 ATOM 2753 H HD22 . LEU A 1 9 ? -4.282 12.065 -3.262 1.00 0.00 ? 9 LEU A HD22 5 ATOM 2754 H HD23 . LEU A 1 9 ? -5.190 12.097 -4.773 1.00 0.00 ? 9 LEU A HD23 5 ATOM 2755 N N . ALA A 1 10 ? -4.040 9.413 -9.189 1.00 0.00 ? 10 ALA A N 5 ATOM 2756 C CA . ALA A 1 10 ? -4.036 9.869 -10.574 1.00 0.00 ? 10 ALA A CA 5 ATOM 2757 C C . ALA A 1 10 ? -3.404 11.252 -10.695 1.00 0.00 ? 10 ALA A C 5 ATOM 2758 O O . ALA A 1 10 ? -4.063 12.213 -11.091 1.00 0.00 ? 10 ALA A O 5 ATOM 2759 C CB . ALA A 1 10 ? -5.452 9.883 -11.129 1.00 0.00 ? 10 ALA A CB 5 ATOM 2760 H H . ALA A 1 10 ? -3.513 8.625 -8.944 1.00 0.00 ? 10 ALA A H 5 ATOM 2761 H HA . ALA A 1 10 ? -3.455 9.167 -11.155 1.00 0.00 ? 10 ALA A HA 5 ATOM 2762 H HB1 . ALA A 1 10 ? -5.927 10.821 -10.878 1.00 0.00 ? 10 ALA A HB1 5 ATOM 2763 H HB2 . ALA A 1 10 ? -5.419 9.772 -12.203 1.00 0.00 ? 10 ALA A HB2 5 ATOM 2764 H HB3 . ALA A 1 10 ? -6.015 9.069 -10.699 1.00 0.00 ? 10 ALA A HB3 5 ATOM 2765 N N . MET A 1 11 ? -2.124 11.345 -10.350 1.00 0.00 ? 11 MET A N 5 ATOM 2766 C CA . MET A 1 11 ? -1.404 12.611 -10.420 1.00 0.00 ? 11 MET A CA 5 ATOM 2767 C C . MET A 1 11 ? -1.293 13.093 -11.863 1.00 0.00 ? 11 MET A C 5 ATOM 2768 O O . MET A 1 11 ? -1.946 14.060 -12.257 1.00 0.00 ? 11 MET A O 5 ATOM 2769 C CB . MET A 1 11 ? -0.009 12.463 -9.811 1.00 0.00 ? 11 MET A CB 5 ATOM 2770 C CG . MET A 1 11 ? -0.025 12.145 -8.325 1.00 0.00 ? 11 MET A CG 5 ATOM 2771 S SD . MET A 1 11 ? 1.561 11.529 -7.729 1.00 0.00 ? 11 MET A SD 5 ATOM 2772 C CE . MET A 1 11 ? 1.350 9.766 -7.961 1.00 0.00 ? 11 MET A CE 5 ATOM 2773 H H . MET A 1 11 ? -1.652 10.543 -10.041 1.00 0.00 ? 11 MET A H 5 ATOM 2774 H HA . MET A 1 11 ? -1.960 13.340 -9.851 1.00 0.00 ? 11 MET A HA 5 ATOM 2775 H HB2 . MET A 1 11 ? 0.512 11.667 -10.322 1.00 0.00 ? 11 MET A HB2 5 ATOM 2776 H HB3 . MET A 1 11 ? 0.533 13.387 -9.953 1.00 0.00 ? 11 MET A HB3 5 ATOM 2777 H HG2 . MET A 1 11 ? -0.274 13.043 -7.780 1.00 0.00 ? 11 MET A HG2 5 ATOM 2778 H HG3 . MET A 1 11 ? -0.779 11.394 -8.140 1.00 0.00 ? 11 MET A HG3 5 ATOM 2779 H HE1 . MET A 1 11 ? 2.224 9.360 -8.449 1.00 0.00 ? 11 MET A HE1 5 ATOM 2780 H HE2 . MET A 1 11 ? 1.219 9.289 -7.001 1.00 0.00 ? 11 MET A HE2 5 ATOM 2781 H HE3 . MET A 1 11 ? 0.479 9.586 -8.574 1.00 0.00 ? 11 MET A HE3 5 ATOM 2782 N N . CYS A 1 12 ? -0.462 12.415 -12.647 1.00 0.00 ? 12 CYS A N 5 ATOM 2783 C CA . CYS A 1 12 ? -0.265 12.774 -14.046 1.00 0.00 ? 12 CYS A CA 5 ATOM 2784 C C . CYS A 1 12 ? -1.602 12.881 -14.774 1.00 0.00 ? 12 CYS A C 5 ATOM 2785 O O . CYS A 1 12 ? -2.595 12.283 -14.362 1.00 0.00 ? 12 CYS A O 5 ATOM 2786 C CB . CYS A 1 12 ? 0.624 11.740 -14.739 1.00 0.00 ? 12 CYS A CB 5 ATOM 2787 S SG . CYS A 1 12 ? -0.199 10.146 -15.058 1.00 0.00 ? 12 CYS A SG 5 ATOM 2788 H H . CYS A 1 12 ? 0.031 11.652 -12.275 1.00 0.00 ? 12 CYS A H 5 ATOM 2789 H HA . CYS A 1 12 ? 0.226 13.735 -14.076 1.00 0.00 ? 12 CYS A HA 5 ATOM 2790 H HB2 . CYS A 1 12 ? 0.950 12.136 -15.690 1.00 0.00 ? 12 CYS A HB2 5 ATOM 2791 H HB3 . CYS A 1 12 ? 1.488 11.546 -14.121 1.00 0.00 ? 12 CYS A HB3 5 ATOM 2792 N N . GLY A 1 13 ? -1.618 13.649 -15.860 1.00 0.00 ? 13 GLY A N 5 ATOM 2793 C CA . GLY A 1 13 ? -2.837 13.821 -16.628 1.00 0.00 ? 13 GLY A CA 5 ATOM 2794 C C . GLY A 1 13 ? -3.630 15.038 -16.193 1.00 0.00 ? 13 GLY A C 5 ATOM 2795 O O . GLY A 1 13 ? -4.430 15.572 -16.960 1.00 0.00 ? 13 GLY A O 5 ATOM 2796 H H . GLY A 1 13 ? -0.796 14.102 -16.141 1.00 0.00 ? 13 GLY A H 5 ATOM 2797 H HA2 . GLY A 1 13 ? -2.580 13.926 -17.671 1.00 0.00 ? 13 GLY A HA2 5 ATOM 2798 H HA3 . GLY A 1 13 ? -3.453 12.942 -16.506 1.00 0.00 ? 13 GLY A HA3 5 ATOM 2799 N N . ALA A 1 14 ? -3.408 15.476 -14.958 1.00 0.00 ? 14 ALA A N 5 ATOM 2800 C CA . ALA A 1 14 ? -4.108 16.637 -14.422 1.00 0.00 ? 14 ALA A CA 5 ATOM 2801 C C . ALA A 1 14 ? -3.161 17.822 -14.261 1.00 0.00 ? 14 ALA A C 5 ATOM 2802 O O . ALA A 1 14 ? -3.359 18.674 -13.396 1.00 0.00 ? 14 ALA A O 5 ATOM 2803 C CB . ALA A 1 14 ? -4.757 16.293 -13.089 1.00 0.00 ? 14 ALA A CB 5 ATOM 2804 H H . ALA A 1 14 ? -2.758 15.007 -14.394 1.00 0.00 ? 14 ALA A H 5 ATOM 2805 H HA . ALA A 1 14 ? -4.890 16.905 -15.117 1.00 0.00 ? 14 ALA A HA 5 ATOM 2806 H HB1 . ALA A 1 14 ? -5.507 15.531 -13.242 1.00 0.00 ? 14 ALA A HB1 5 ATOM 2807 H HB2 . ALA A 1 14 ? -4.005 15.928 -12.406 1.00 0.00 ? 14 ALA A HB2 5 ATOM 2808 H HB3 . ALA A 1 14 ? -5.220 17.177 -12.677 1.00 0.00 ? 14 ALA A HB3 5 ATOM 2809 N N . GLY A 1 15 ? -2.132 17.869 -15.102 1.00 0.00 ? 15 GLY A N 5 ATOM 2810 C CA . GLY A 1 15 ? -1.170 18.954 -15.035 1.00 0.00 ? 15 GLY A CA 5 ATOM 2811 C C . GLY A 1 15 ? 0.121 18.543 -14.354 1.00 0.00 ? 15 GLY A C 5 ATOM 2812 O O . GLY A 1 15 ? 1.145 19.212 -14.494 1.00 0.00 ? 15 GLY A O 5 ATOM 2813 H H . GLY A 1 15 ? -2.024 17.162 -15.772 1.00 0.00 ? 15 GLY A H 5 ATOM 2814 H HA2 . GLY A 1 15 ? -0.945 19.283 -16.039 1.00 0.00 ? 15 GLY A HA2 5 ATOM 2815 H HA3 . GLY A 1 15 ? -1.607 19.775 -14.487 1.00 0.00 ? 15 GLY A HA3 5 ATOM 2816 N N . TYR A 1 16 ? 0.071 17.443 -13.612 1.00 0.00 ? 16 TYR A N 5 ATOM 2817 C CA . TYR A 1 16 ? 1.244 16.947 -12.902 1.00 0.00 ? 16 TYR A CA 5 ATOM 2818 C C . TYR A 1 16 ? 2.377 16.631 -13.874 1.00 0.00 ? 16 TYR A C 5 ATOM 2819 O O . TYR A 1 16 ? 3.554 16.757 -13.536 1.00 0.00 ? 16 TYR A O 5 ATOM 2820 C CB . TYR A 1 16 ? 0.887 15.698 -12.094 1.00 0.00 ? 16 TYR A CB 5 ATOM 2821 C CG . TYR A 1 16 ? 0.607 15.980 -10.635 1.00 0.00 ? 16 TYR A CG 5 ATOM 2822 C CD1 . TYR A 1 16 ? 1.637 16.004 -9.702 1.00 0.00 ? 16 TYR A CD1 5 ATOM 2823 C CD2 . TYR A 1 16 ? -0.686 16.220 -10.189 1.00 0.00 ? 16 TYR A CD2 5 ATOM 2824 C CE1 . TYR A 1 16 ? 1.386 16.261 -8.368 1.00 0.00 ? 16 TYR A CE1 5 ATOM 2825 C CE2 . TYR A 1 16 ? -0.946 16.479 -8.857 1.00 0.00 ? 16 TYR A CE2 5 ATOM 2826 C CZ . TYR A 1 16 ? 0.093 16.498 -7.951 1.00 0.00 ? 16 TYR A CZ 5 ATOM 2827 O OH . TYR A 1 16 ? -0.162 16.753 -6.623 1.00 0.00 ? 16 TYR A OH 5 ATOM 2828 H H . TYR A 1 16 ? -0.774 16.953 -13.538 1.00 0.00 ? 16 TYR A H 5 ATOM 2829 H HA . TYR A 1 16 ? 1.573 17.720 -12.223 1.00 0.00 ? 16 TYR A HA 5 ATOM 2830 H HB2 . TYR A 1 16 ? 0.006 15.243 -12.518 1.00 0.00 ? 16 TYR A HB2 5 ATOM 2831 H HB3 . TYR A 1 16 ? 1.708 14.997 -12.146 1.00 0.00 ? 16 TYR A HB3 5 ATOM 2832 H HD1 . TYR A 1 16 ? 2.649 15.818 -10.032 1.00 0.00 ? 16 TYR A HD1 5 ATOM 2833 H HD2 . TYR A 1 16 ? -1.498 16.204 -10.902 1.00 0.00 ? 16 TYR A HD2 5 ATOM 2834 H HE1 . TYR A 1 16 ? 2.200 16.276 -7.658 1.00 0.00 ? 16 TYR A HE1 5 ATOM 2835 H HE2 . TYR A 1 16 ? -1.959 16.664 -8.530 1.00 0.00 ? 16 TYR A HE2 5 ATOM 2836 H HH . TYR A 1 16 ? -0.594 15.992 -6.228 1.00 0.00 ? 16 TYR A HH 5 ATOM 2837 N N . ASP A 1 17 ? 2.011 16.220 -15.084 1.00 0.00 ? 17 ASP A N 5 ATOM 2838 C CA . ASP A 1 17 ? 2.995 15.887 -16.108 1.00 0.00 ? 17 ASP A CA 5 ATOM 2839 C C . ASP A 1 17 ? 2.741 16.683 -17.384 1.00 0.00 ? 17 ASP A C 5 ATOM 2840 O O . ASP A 1 17 ? 1.872 17.554 -17.422 1.00 0.00 ? 17 ASP A O 5 ATOM 2841 C CB . ASP A 1 17 ? 2.959 14.388 -16.411 1.00 0.00 ? 17 ASP A CB 5 ATOM 2842 C CG . ASP A 1 17 ? 3.344 13.545 -15.212 1.00 0.00 ? 17 ASP A CG 5 ATOM 2843 O OD1 . ASP A 1 17 ? 2.701 13.694 -14.152 1.00 0.00 ? 17 ASP A OD1 5 ATOM 2844 O OD2 . ASP A 1 17 ? 4.289 12.737 -15.332 1.00 0.00 ? 17 ASP A OD2 5 ATOM 2845 H H . ASP A 1 17 ? 1.057 16.140 -15.293 1.00 0.00 ? 17 ASP A H 5 ATOM 2846 H HA . ASP A 1 17 ? 3.971 16.144 -15.726 1.00 0.00 ? 17 ASP A HA 5 ATOM 2847 H HB2 . ASP A 1 17 ? 1.959 14.113 -16.715 1.00 0.00 ? 17 ASP A HB2 5 ATOM 2848 H HB3 . ASP A 1 17 ? 3.647 14.174 -17.215 1.00 0.00 ? 17 ASP A HB3 5 ATOM 2849 N N . SER A 1 18 ? 3.507 16.380 -18.427 1.00 0.00 ? 18 SER A N 5 ATOM 2850 C CA . SER A 1 18 ? 3.369 17.071 -19.704 1.00 0.00 ? 18 SER A CA 5 ATOM 2851 C C . SER A 1 18 ? 2.261 16.443 -20.544 1.00 0.00 ? 18 SER A C 5 ATOM 2852 O O . SER A 1 18 ? 2.609 15.479 -21.225 1.00 0.00 ? 18 SER A O 5 ATOM 2853 C CB . SER A 1 18 ? 4.691 17.034 -20.473 1.00 0.00 ? 18 SER A CB 5 ATOM 2854 O OG . SER A 1 18 ? 5.635 17.928 -19.907 1.00 0.00 ? 18 SER A OG 5 ATOM 2855 H H . SER A 1 18 ? 4.183 15.676 -18.334 1.00 0.00 ? 18 SER A H 5 ATOM 2856 H HA . SER A 1 18 ? 3.110 18.099 -19.498 1.00 0.00 ? 18 SER A HA 5 ATOM 2857 H HB2 . SER A 1 18 ? 5.096 16.035 -20.440 1.00 0.00 ? 18 SER A HB2 5 ATOM 2858 H HB3 . SER A 1 18 ? 4.515 17.318 -21.500 1.00 0.00 ? 18 SER A HB3 5 ATOM 2859 N N . GLY A 1 19 ? 1.120 16.433 -19.834 1.00 0.00 ? 19 GLY A N 5 ATOM 2860 C CA . GLY A 1 19 ? 0.221 15.295 -19.876 1.00 0.00 ? 19 GLY A CA 5 ATOM 2861 C C . GLY A 1 19 ? 0.898 14.040 -20.390 1.00 0.00 ? 19 GLY A C 5 ATOM 2862 O O . GLY A 1 19 ? 0.719 13.658 -21.547 1.00 0.00 ? 19 GLY A O 5 ATOM 2863 H H . GLY A 1 19 ? 0.890 17.217 -19.293 1.00 0.00 ? 19 GLY A H 5 ATOM 2864 H HA2 . GLY A 1 19 ? -0.152 15.108 -18.879 1.00 0.00 ? 19 GLY A HA2 5 ATOM 2865 H HA3 . GLY A 1 19 ? -0.612 15.531 -20.522 1.00 0.00 ? 19 GLY A HA3 5 ATOM 2866 N N . THR A 1 20 ? 1.679 13.395 -19.529 1.00 0.00 ? 20 THR A N 5 ATOM 2867 C CA . THR A 1 20 ? 2.388 12.178 -19.903 1.00 0.00 ? 20 THR A CA 5 ATOM 2868 C C . THR A 1 20 ? 2.631 11.288 -18.690 1.00 0.00 ? 20 THR A C 5 ATOM 2869 O O . THR A 1 20 ? 2.988 11.771 -17.615 1.00 0.00 ? 20 THR A O 5 ATOM 2870 C CB . THR A 1 20 ? 3.739 12.497 -20.571 1.00 0.00 ? 20 THR A CB 5 ATOM 2871 O OG1 . THR A 1 20 ? 4.268 11.320 -21.192 1.00 0.00 ? 20 THR A OG1 5 ATOM 2872 C CG2 . THR A 1 20 ? 4.734 13.029 -19.551 1.00 0.00 ? 20 THR A CG2 5 ATOM 2873 H H . THR A 1 20 ? 1.782 13.749 -18.621 1.00 0.00 ? 20 THR A H 5 ATOM 2874 H HA . THR A 1 20 ? 1.777 11.641 -20.615 1.00 0.00 ? 20 THR A HA 5 ATOM 2875 H HB . THR A 1 20 ? 3.581 13.254 -21.326 1.00 0.00 ? 20 THR A HB 5 ATOM 2876 H HG1 . THR A 1 20 ? 3.579 10.892 -21.706 1.00 0.00 ? 20 THR A HG1 5 ATOM 2877 H HG21 . THR A 1 20 ? 5.654 13.294 -20.050 1.00 0.00 ? 20 THR A HG21 5 ATOM 2878 H HG22 . THR A 1 20 ? 4.933 12.268 -18.811 1.00 0.00 ? 20 THR A HG22 5 ATOM 2879 H HG23 . THR A 1 20 ? 4.322 13.902 -19.067 1.00 0.00 ? 20 THR A HG23 5 ATOM 2880 N N . CYS A 1 21 ? 2.436 9.986 -18.868 1.00 0.00 ? 21 CYS A N 5 ATOM 2881 C CA . CYS A 1 21 ? 2.635 9.027 -17.788 1.00 0.00 ? 21 CYS A CA 5 ATOM 2882 C C . CYS A 1 21 ? 3.494 7.854 -18.252 1.00 0.00 ? 21 CYS A C 5 ATOM 2883 O O . CYS A 1 21 ? 4.029 7.864 -19.361 1.00 0.00 ? 21 CYS A O 5 ATOM 2884 C CB . CYS A 1 21 ? 1.286 8.516 -17.278 1.00 0.00 ? 21 CYS A CB 5 ATOM 2885 S SG . CYS A 1 21 ? 0.048 9.824 -17.008 1.00 0.00 ? 21 CYS A SG 5 ATOM 2886 H H . CYS A 1 21 ? 2.152 9.661 -19.749 1.00 0.00 ? 21 CYS A H 5 ATOM 2887 H HA . CYS A 1 21 ? 3.145 9.535 -16.983 1.00 0.00 ? 21 CYS A HA 5 ATOM 2888 H HB2 . CYS A 1 21 ? 0.877 7.822 -17.999 1.00 0.00 ? 21 CYS A HB2 5 ATOM 2889 H HB3 . CYS A 1 21 ? 1.435 8.004 -16.339 1.00 0.00 ? 21 CYS A HB3 5 ATOM 2890 N N . ASP A 1 22 ? 3.620 6.846 -17.396 1.00 0.00 ? 22 ASP A N 5 ATOM 2891 C CA . ASP A 1 22 ? 4.412 5.665 -17.719 1.00 0.00 ? 22 ASP A CA 5 ATOM 2892 C C . ASP A 1 22 ? 3.915 4.449 -16.943 1.00 0.00 ? 22 ASP A C 5 ATOM 2893 O O . ASP A 1 22 ? 3.245 3.578 -17.498 1.00 0.00 ? 22 ASP A O 5 ATOM 2894 C CB . ASP A 1 22 ? 5.889 5.915 -17.407 1.00 0.00 ? 22 ASP A CB 5 ATOM 2895 C CG . ASP A 1 22 ? 6.725 6.081 -18.661 1.00 0.00 ? 22 ASP A CG 5 ATOM 2896 O OD1 . ASP A 1 22 ? 6.597 7.131 -19.324 1.00 0.00 ? 22 ASP A OD1 5 ATOM 2897 O OD2 . ASP A 1 22 ? 7.506 5.160 -18.980 1.00 0.00 ? 22 ASP A OD2 5 ATOM 2898 H H . ASP A 1 22 ? 3.169 6.897 -16.528 1.00 0.00 ? 22 ASP A H 5 ATOM 2899 H HA . ASP A 1 22 ? 4.305 5.471 -18.775 1.00 0.00 ? 22 ASP A HA 5 ATOM 2900 H HB2 . ASP A 1 22 ? 5.978 6.815 -16.816 1.00 0.00 ? 22 ASP A HB2 5 ATOM 2901 H HB3 . ASP A 1 22 ? 6.278 5.079 -16.845 1.00 0.00 ? 22 ASP A HB3 5 ATOM 2902 N N . TYR A 1 23 ? 4.249 4.396 -15.658 1.00 0.00 ? 23 TYR A N 5 ATOM 2903 C CA . TYR A 1 23 ? 3.839 3.285 -14.808 1.00 0.00 ? 23 TYR A CA 5 ATOM 2904 C C . TYR A 1 23 ? 2.321 3.245 -14.657 1.00 0.00 ? 23 TYR A C 5 ATOM 2905 O O . TYR A 1 23 ? 1.740 2.192 -14.398 1.00 0.00 ? 23 TYR A O 5 ATOM 2906 C CB . TYR A 1 23 ? 4.496 3.400 -13.431 1.00 0.00 ? 23 TYR A CB 5 ATOM 2907 C CG . TYR A 1 23 ? 5.967 3.747 -13.489 1.00 0.00 ? 23 TYR A CG 5 ATOM 2908 C CD1 . TYR A 1 23 ? 6.874 2.908 -14.124 1.00 0.00 ? 23 TYR A CD1 5 ATOM 2909 C CD2 . TYR A 1 23 ? 6.449 4.914 -12.910 1.00 0.00 ? 23 TYR A CD2 5 ATOM 2910 C CE1 . TYR A 1 23 ? 8.218 3.221 -14.179 1.00 0.00 ? 23 TYR A CE1 5 ATOM 2911 C CE2 . TYR A 1 23 ? 7.791 5.236 -12.961 1.00 0.00 ? 23 TYR A CE2 5 ATOM 2912 C CZ . TYR A 1 23 ? 8.672 4.386 -13.596 1.00 0.00 ? 23 TYR A CZ 5 ATOM 2913 O OH . TYR A 1 23 ? 10.011 4.701 -13.650 1.00 0.00 ? 23 TYR A OH 5 ATOM 2914 H H . TYR A 1 23 ? 4.785 5.120 -15.273 1.00 0.00 ? 23 TYR A H 5 ATOM 2915 H HA . TYR A 1 23 ? 4.167 2.369 -15.277 1.00 0.00 ? 23 TYR A HA 5 ATOM 2916 H HB2 . TYR A 1 23 ? 3.997 4.171 -12.865 1.00 0.00 ? 23 TYR A HB2 5 ATOM 2917 H HB3 . TYR A 1 23 ? 4.397 2.458 -12.913 1.00 0.00 ? 23 TYR A HB3 5 ATOM 2918 H HD1 . TYR A 1 23 ? 6.515 1.997 -14.580 1.00 0.00 ? 23 TYR A HD1 5 ATOM 2919 H HD2 . TYR A 1 23 ? 5.756 5.579 -12.413 1.00 0.00 ? 23 TYR A HD2 5 ATOM 2920 H HE1 . TYR A 1 23 ? 8.908 2.555 -14.677 1.00 0.00 ? 23 TYR A HE1 5 ATOM 2921 H HE2 . TYR A 1 23 ? 8.147 6.148 -12.505 1.00 0.00 ? 23 TYR A HE2 5 ATOM 2922 H HH . TYR A 1 23 ? 10.467 4.067 -14.208 1.00 0.00 ? 23 TYR A HH 5 ATOM 2923 N N . MET A 1 24 ? 1.686 4.400 -14.822 1.00 0.00 ? 24 MET A N 5 ATOM 2924 C CA . MET A 1 24 ? 0.236 4.498 -14.707 1.00 0.00 ? 24 MET A CA 5 ATOM 2925 C C . MET A 1 24 ? -0.452 3.665 -15.784 1.00 0.00 ? 24 MET A C 5 ATOM 2926 O O . MET A 1 24 ? -1.423 2.959 -15.510 1.00 0.00 ? 24 MET A O 5 ATOM 2927 C CB . MET A 1 24 ? -0.209 5.958 -14.813 1.00 0.00 ? 24 MET A CB 5 ATOM 2928 C CG . MET A 1 24 ? 0.105 6.780 -13.574 1.00 0.00 ? 24 MET A CG 5 ATOM 2929 S SD . MET A 1 24 ? 1.758 7.500 -13.618 1.00 0.00 ? 24 MET A SD 5 ATOM 2930 C CE . MET A 1 24 ? 2.625 6.424 -12.478 1.00 0.00 ? 24 MET A CE 5 ATOM 2931 H H . MET A 1 24 ? 2.204 5.207 -15.027 1.00 0.00 ? 24 MET A H 5 ATOM 2932 H HA . MET A 1 24 ? -0.046 4.115 -13.738 1.00 0.00 ? 24 MET A HA 5 ATOM 2933 H HB2 . MET A 1 24 ? 0.289 6.413 -15.657 1.00 0.00 ? 24 MET A HB2 5 ATOM 2934 H HB3 . MET A 1 24 ? -1.276 5.987 -14.977 1.00 0.00 ? 24 MET A HB3 5 ATOM 2935 H HG2 . MET A 1 24 ? -0.617 7.580 -13.496 1.00 0.00 ? 24 MET A HG2 5 ATOM 2936 H HG3 . MET A 1 24 ? 0.027 6.142 -12.707 1.00 0.00 ? 24 MET A HG3 5 ATOM 2937 H HE1 . MET A 1 24 ? 3.691 6.548 -12.606 1.00 0.00 ? 24 MET A HE1 5 ATOM 2938 H HE2 . MET A 1 24 ? 2.353 6.679 -11.464 1.00 0.00 ? 24 MET A HE2 5 ATOM 2939 H HE3 . MET A 1 24 ? 2.355 5.398 -12.676 1.00 0.00 ? 24 MET A HE3 5 ATOM 2940 N N . TYR A 1 25 ? 0.056 3.753 -17.008 1.00 0.00 ? 25 TYR A N 5 ATOM 2941 C CA . TYR A 1 25 ? -0.512 3.010 -18.127 1.00 0.00 ? 25 TYR A CA 5 ATOM 2942 C C . TYR A 1 25 ? -0.307 1.509 -17.944 1.00 0.00 ? 25 TYR A C 5 ATOM 2943 O O . TYR A 1 25 ? -0.881 0.700 -18.672 1.00 0.00 ? 25 TYR A O 5 ATOM 2944 C CB . TYR A 1 25 ? 0.120 3.466 -19.443 1.00 0.00 ? 25 TYR A CB 5 ATOM 2945 C CG . TYR A 1 25 ? -0.449 4.763 -19.971 1.00 0.00 ? 25 TYR A CG 5 ATOM 2946 C CD1 . TYR A 1 25 ? -0.442 5.915 -19.195 1.00 0.00 ? 25 TYR A CD1 5 ATOM 2947 C CD2 . TYR A 1 25 ? -0.993 4.836 -21.248 1.00 0.00 ? 25 TYR A CD2 5 ATOM 2948 C CE1 . TYR A 1 25 ? -0.962 7.102 -19.674 1.00 0.00 ? 25 TYR A CE1 5 ATOM 2949 C CE2 . TYR A 1 25 ? -1.514 6.019 -21.735 1.00 0.00 ? 25 TYR A CE2 5 ATOM 2950 C CZ . TYR A 1 25 ? -1.496 7.149 -20.944 1.00 0.00 ? 25 TYR A CZ 5 ATOM 2951 O OH . TYR A 1 25 ? -2.014 8.330 -21.425 1.00 0.00 ? 25 TYR A OH 5 ATOM 2952 H H . TYR A 1 25 ? 0.830 4.333 -17.164 1.00 0.00 ? 25 TYR A H 5 ATOM 2953 H HA . TYR A 1 25 ? -1.572 3.216 -18.158 1.00 0.00 ? 25 TYR A HA 5 ATOM 2954 H HB2 . TYR A 1 25 ? 1.180 3.605 -19.296 1.00 0.00 ? 25 TYR A HB2 5 ATOM 2955 H HB3 . TYR A 1 25 ? -0.037 2.704 -20.193 1.00 0.00 ? 25 TYR A HB3 5 ATOM 2956 H HD1 . TYR A 1 25 ? -0.023 5.874 -18.200 1.00 0.00 ? 25 TYR A HD1 5 ATOM 2957 H HD2 . TYR A 1 25 ? -1.005 3.950 -21.865 1.00 0.00 ? 25 TYR A HD2 5 ATOM 2958 H HE1 . TYR A 1 25 ? -0.948 7.987 -19.054 1.00 0.00 ? 25 TYR A HE1 5 ATOM 2959 H HE2 . TYR A 1 25 ? -1.932 6.057 -22.730 1.00 0.00 ? 25 TYR A HE2 5 ATOM 2960 H HH . TYR A 1 25 ? -1.781 9.047 -20.831 1.00 0.00 ? 25 TYR A HH 5 ATOM 2961 N N . SER A 1 26 ? 0.514 1.146 -16.964 1.00 0.00 ? 26 SER A N 5 ATOM 2962 C CA . SER A 1 26 ? 0.799 -0.257 -16.685 1.00 0.00 ? 26 SER A CA 5 ATOM 2963 C C . SER A 1 26 ? -0.251 -0.848 -15.749 1.00 0.00 ? 26 SER A C 5 ATOM 2964 O O . SER A 1 26 ? 0.042 -1.743 -14.956 1.00 0.00 ? 26 SER A O 5 ATOM 2965 C CB . SER A 1 26 ? 2.191 -0.404 -16.068 1.00 0.00 ? 26 SER A CB 5 ATOM 2966 O OG . SER A 1 26 ? 2.669 -1.731 -16.199 1.00 0.00 ? 26 SER A OG 5 ATOM 2967 H H . SER A 1 26 ? 0.942 1.839 -16.417 1.00 0.00 ? 26 SER A H 5 ATOM 2968 H HA . SER A 1 26 ? 0.772 -0.793 -17.622 1.00 0.00 ? 26 SER A HA 5 ATOM 2969 H HB2 . SER A 1 26 ? 2.876 0.264 -16.568 1.00 0.00 ? 26 SER A HB2 5 ATOM 2970 H HB3 . SER A 1 26 ? 2.144 -0.152 -15.018 1.00 0.00 ? 26 SER A HB3 5 ATOM 2971 H HG . SER A 1 26 ? 3.103 -1.833 -17.049 1.00 0.00 ? 26 SER A HG 5 ATOM 2972 N N . HIS A 1 27 ? -1.475 -0.341 -15.847 1.00 0.00 ? 27 HIS A N 5 ATOM 2973 C CA . HIS A 1 27 ? -2.570 -0.819 -15.010 1.00 0.00 ? 27 HIS A CA 5 ATOM 2974 C C . HIS A 1 27 ? -2.206 -0.720 -13.532 1.00 0.00 ? 27 HIS A C 5 ATOM 2975 O O . HIS A 1 27 ? -2.298 -1.700 -12.792 1.00 0.00 ? 27 HIS A O 5 ATOM 2976 C CB . HIS A 1 27 ? -2.919 -2.264 -15.366 1.00 0.00 ? 27 HIS A CB 5 ATOM 2977 C CG . HIS A 1 27 ? -4.292 -2.673 -14.930 1.00 0.00 ? 27 HIS A CG 5 ATOM 2978 N ND1 . HIS A 1 27 ? -4.612 -3.963 -14.562 1.00 0.00 ? 27 HIS A ND1 5 ATOM 2979 C CD2 . HIS A 1 27 ? -5.432 -1.954 -14.804 1.00 0.00 ? 27 HIS A CD2 5 ATOM 2980 C CE1 . HIS A 1 27 ? -5.889 -4.020 -14.229 1.00 0.00 ? 27 HIS A CE1 5 ATOM 2981 N NE2 . HIS A 1 27 ? -6.410 -2.814 -14.367 1.00 0.00 ? 27 HIS A NE2 5 ATOM 2982 H H . HIS A 1 27 ? -1.647 0.371 -16.498 1.00 0.00 ? 27 HIS A H 5 ATOM 2983 H HA . HIS A 1 27 ? -3.429 -0.193 -15.199 1.00 0.00 ? 27 HIS A HA 5 ATOM 2984 H HB2 . HIS A 1 27 ? -2.861 -2.388 -16.437 1.00 0.00 ? 27 HIS A HB2 5 ATOM 2985 H HB3 . HIS A 1 27 ? -2.209 -2.926 -14.892 1.00 0.00 ? 27 HIS A HB3 5 ATOM 2986 H HD1 . HIS A 1 27 ? -3.995 -4.724 -14.548 1.00 0.00 ? 27 HIS A HD1 5 ATOM 2987 H HD2 . HIS A 1 27 ? -5.552 -0.899 -15.009 1.00 0.00 ? 27 HIS A HD2 5 ATOM 2988 H HE1 . HIS A 1 27 ? -6.418 -4.901 -13.900 1.00 0.00 ? 27 HIS A HE1 5 ATOM 2989 N N . CYS A 1 28 ? -1.793 0.470 -13.107 1.00 0.00 ? 28 CYS A N 5 ATOM 2990 C CA . CYS A 1 28 ? -1.414 0.697 -11.718 1.00 0.00 ? 28 CYS A CA 5 ATOM 2991 C C . CYS A 1 28 ? -2.343 1.714 -11.060 1.00 0.00 ? 28 CYS A C 5 ATOM 2992 O O . CYS A 1 28 ? -2.433 1.786 -9.835 1.00 0.00 ? 28 CYS A O 5 ATOM 2993 C CB . CYS A 1 28 ? 0.034 1.185 -11.636 1.00 0.00 ? 28 CYS A CB 5 ATOM 2994 S SG . CYS A 1 28 ? 0.948 0.562 -10.188 1.00 0.00 ? 28 CYS A SG 5 ATOM 2995 H H . CYS A 1 28 ? -1.741 1.214 -13.745 1.00 0.00 ? 28 CYS A H 5 ATOM 2996 H HA . CYS A 1 28 ? -1.498 -0.242 -11.193 1.00 0.00 ? 28 CYS A HA 5 ATOM 2997 H HB2 . CYS A 1 28 ? 0.565 0.865 -12.521 1.00 0.00 ? 28 CYS A HB2 5 ATOM 2998 H HB3 . CYS A 1 28 ? 0.040 2.264 -11.590 1.00 0.00 ? 28 CYS A HB3 5 ATOM 2999 N N . PHE A 1 29 ? -3.032 2.496 -11.884 1.00 0.00 ? 29 PHE A N 5 ATOM 3000 C CA . PHE A 1 29 ? -3.954 3.509 -11.383 1.00 0.00 ? 29 PHE A CA 5 ATOM 3001 C C . PHE A 1 29 ? -5.381 3.218 -11.836 1.00 0.00 ? 29 PHE A C 5 ATOM 3002 O O . PHE A 1 29 ? -6.345 3.602 -11.175 1.00 0.00 ? 29 PHE A O 5 ATOM 3003 C CB . PHE A 1 29 ? -3.528 4.899 -11.862 1.00 0.00 ? 29 PHE A CB 5 ATOM 3004 C CG . PHE A 1 29 ? -2.401 5.489 -11.064 1.00 0.00 ? 29 PHE A CG 5 ATOM 3005 C CD1 . PHE A 1 29 ? -1.206 4.803 -10.915 1.00 0.00 ? 29 PHE A CD1 5 ATOM 3006 C CD2 . PHE A 1 29 ? -2.536 6.730 -10.463 1.00 0.00 ? 29 PHE A CD2 5 ATOM 3007 C CE1 . PHE A 1 29 ? -0.167 5.343 -10.181 1.00 0.00 ? 29 PHE A CE1 5 ATOM 3008 C CE2 . PHE A 1 29 ? -1.500 7.275 -9.729 1.00 0.00 ? 29 PHE A CE2 5 ATOM 3009 C CZ . PHE A 1 29 ? -0.314 6.581 -9.587 1.00 0.00 ? 29 PHE A CZ 5 ATOM 3010 H H . PHE A 1 29 ? -2.917 2.391 -12.852 1.00 0.00 ? 29 PHE A H 5 ATOM 3011 H HA . PHE A 1 29 ? -3.919 3.484 -10.305 1.00 0.00 ? 29 PHE A HA 5 ATOM 3012 H HB2 . PHE A 1 29 ? -3.207 4.834 -12.891 1.00 0.00 ? 29 PHE A HB2 5 ATOM 3013 H HB3 . PHE A 1 29 ? -4.371 5.569 -11.794 1.00 0.00 ? 29 PHE A HB3 5 ATOM 3014 H HD1 . PHE A 1 29 ? -1.090 3.834 -11.380 1.00 0.00 ? 29 PHE A HD1 5 ATOM 3015 H HD2 . PHE A 1 29 ? -3.462 7.274 -10.572 1.00 0.00 ? 29 PHE A HD2 5 ATOM 3016 H HE1 . PHE A 1 29 ? 0.759 4.797 -10.073 1.00 0.00 ? 29 PHE A HE1 5 ATOM 3017 H HE2 . PHE A 1 29 ? -1.617 8.243 -9.264 1.00 0.00 ? 29 PHE A HE2 5 ATOM 3018 H HZ . PHE A 1 29 ? 0.497 7.005 -9.014 1.00 0.00 ? 29 PHE A HZ 5 ATOM 3019 N N . GLY A 1 30 ? -5.508 2.535 -12.971 1.00 0.00 ? 30 GLY A N 5 ATOM 3020 C CA . GLY A 1 30 ? -6.820 2.204 -13.495 1.00 0.00 ? 30 GLY A CA 5 ATOM 3021 C C . GLY A 1 30 ? -7.387 3.301 -14.373 1.00 0.00 ? 30 GLY A C 5 ATOM 3022 O O . GLY A 1 30 ? -8.603 3.481 -14.447 1.00 0.00 ? 30 GLY A O 5 ATOM 3023 H H . GLY A 1 30 ? -4.703 2.255 -13.456 1.00 0.00 ? 30 GLY A H 5 ATOM 3024 H HA2 . GLY A 1 30 ? -6.745 1.296 -14.074 1.00 0.00 ? 30 GLY A HA2 5 ATOM 3025 H HA3 . GLY A 1 30 ? -7.493 2.037 -12.667 1.00 0.00 ? 30 GLY A HA3 5 ATOM 3026 N N . VAL A 1 31 ? -6.505 4.039 -15.040 1.00 0.00 ? 31 VAL A N 5 ATOM 3027 C CA . VAL A 1 31 ? -6.925 5.126 -15.917 1.00 0.00 ? 31 VAL A CA 5 ATOM 3028 C C . VAL A 1 31 ? -6.904 4.691 -17.378 1.00 0.00 ? 31 VAL A C 5 ATOM 3029 O O . VAL A 1 31 ? -7.714 5.149 -18.185 1.00 0.00 ? 31 VAL A O 5 ATOM 3030 C CB . VAL A 1 31 ? -6.024 6.364 -15.748 1.00 0.00 ? 31 VAL A CB 5 ATOM 3031 C CG1 . VAL A 1 31 ? -6.206 6.972 -14.366 1.00 0.00 ? 31 VAL A CG1 5 ATOM 3032 C CG2 . VAL A 1 31 ? -4.568 5.999 -15.992 1.00 0.00 ? 31 VAL A CG2 5 ATOM 3033 H H . VAL A 1 31 ? -5.550 3.848 -14.940 1.00 0.00 ? 31 VAL A H 5 ATOM 3034 H HA . VAL A 1 31 ? -7.934 5.401 -15.648 1.00 0.00 ? 31 VAL A HA 5 ATOM 3035 H HB . VAL A 1 31 ? -6.317 7.100 -16.482 1.00 0.00 ? 31 VAL A HB 5 ATOM 3036 H HG11 . VAL A 1 31 ? -5.460 6.571 -13.695 1.00 0.00 ? 31 VAL A HG11 5 ATOM 3037 H HG12 . VAL A 1 31 ? -6.098 8.045 -14.427 1.00 0.00 ? 31 VAL A HG12 5 ATOM 3038 H HG13 . VAL A 1 31 ? -7.191 6.730 -13.993 1.00 0.00 ? 31 VAL A HG13 5 ATOM 3039 H HG21 . VAL A 1 31 ? -4.460 5.590 -16.985 1.00 0.00 ? 31 VAL A HG21 5 ATOM 3040 H HG22 . VAL A 1 31 ? -3.956 6.884 -15.898 1.00 0.00 ? 31 VAL A HG22 5 ATOM 3041 H HG23 . VAL A 1 31 ? -4.253 5.266 -15.264 1.00 0.00 ? 31 VAL A HG23 5 ATOM 3042 N N . LYS A 1 32 ? -5.974 3.804 -17.713 1.00 0.00 ? 32 LYS A N 5 ATOM 3043 C CA . LYS A 1 32 ? -5.847 3.305 -19.077 1.00 0.00 ? 32 LYS A CA 5 ATOM 3044 C C . LYS A 1 32 ? -7.188 2.795 -19.596 1.00 0.00 ? 32 LYS A C 5 ATOM 3045 O O . LYS A 1 32 ? -7.978 2.221 -18.846 1.00 0.00 ? 32 LYS A O 5 ATOM 3046 C CB . LYS A 1 32 ? -4.805 2.185 -19.137 1.00 0.00 ? 32 LYS A CB 5 ATOM 3047 C CG . LYS A 1 32 ? -4.789 1.441 -20.461 1.00 0.00 ? 32 LYS A CG 5 ATOM 3048 C CD . LYS A 1 32 ? -3.416 0.860 -20.757 1.00 0.00 ? 32 LYS A CD 5 ATOM 3049 C CE . LYS A 1 32 ? -2.519 1.874 -21.450 1.00 0.00 ? 32 LYS A CE 5 ATOM 3050 N NZ . LYS A 1 32 ? -1.587 1.224 -22.412 1.00 0.00 ? 32 LYS A NZ 5 ATOM 3051 H H . LYS A 1 32 ? -5.357 3.476 -17.024 1.00 0.00 ? 32 LYS A H 5 ATOM 3052 H HA . LYS A 1 32 ? -5.521 4.123 -19.700 1.00 0.00 ? 32 LYS A HA 5 ATOM 3053 H HB2 . LYS A 1 32 ? -3.826 2.612 -18.975 1.00 0.00 ? 32 LYS A HB2 5 ATOM 3054 H HB3 . LYS A 1 32 ? -5.013 1.474 -18.351 1.00 0.00 ? 32 LYS A HB3 5 ATOM 3055 H HG2 . LYS A 1 32 ? -5.507 0.636 -20.420 1.00 0.00 ? 32 LYS A HG2 5 ATOM 3056 H HG3 . LYS A 1 32 ? -5.058 2.126 -21.252 1.00 0.00 ? 32 LYS A HG3 5 ATOM 3057 H HD2 . LYS A 1 32 ? -2.953 0.562 -19.828 1.00 0.00 ? 32 LYS A HD2 5 ATOM 3058 H HD3 . LYS A 1 32 ? -3.531 -0.003 -21.397 1.00 0.00 ? 32 LYS A HD3 5 ATOM 3059 H HE2 . LYS A 1 32 ? -3.139 2.578 -21.983 1.00 0.00 ? 32 LYS A HE2 5 ATOM 3060 H HE3 . LYS A 1 32 ? -1.943 2.397 -20.701 1.00 0.00 ? 32 LYS A HE3 5 ATOM 3061 H HZ1 . LYS A 1 32 ? -1.228 1.925 -23.091 1.00 0.00 ? 32 LYS A HZ1 5 ATOM 3062 H HZ2 . LYS A 1 32 ? -2.080 0.472 -22.934 1.00 0.00 ? 32 LYS A HZ2 5 ATOM 3063 H HZ3 . LYS A 1 32 ? -0.782 0.806 -21.903 1.00 0.00 ? 32 LYS A HZ3 5 ATOM 3064 N N . HIS A 1 33 ? -7.437 3.006 -20.885 1.00 0.00 ? 33 HIS A N 5 ATOM 3065 C CA . HIS A 1 33 ? -8.681 2.565 -21.505 1.00 0.00 ? 33 HIS A CA 5 ATOM 3066 C C . HIS A 1 33 ? -8.698 1.049 -21.672 1.00 0.00 ? 33 HIS A C 5 ATOM 3067 O O . HIS A 1 33 ? -7.786 0.355 -21.222 1.00 0.00 ? 33 HIS A O 5 ATOM 3068 C CB . HIS A 1 33 ? -8.867 3.242 -22.863 1.00 0.00 ? 33 HIS A CB 5 ATOM 3069 C CG . HIS A 1 33 ? -9.016 4.730 -22.775 1.00 0.00 ? 33 HIS A CG 5 ATOM 3070 N ND1 . HIS A 1 33 ? -9.432 5.378 -21.632 1.00 0.00 ? 33 HIS A ND1 5 ATOM 3071 C CD2 . HIS A 1 33 ? -8.801 5.697 -23.698 1.00 0.00 ? 33 HIS A CD2 5 ATOM 3072 C CE1 . HIS A 1 33 ? -9.467 6.680 -21.855 1.00 0.00 ? 33 HIS A CE1 5 ATOM 3073 N NE2 . HIS A 1 33 ? -9.088 6.900 -23.101 1.00 0.00 ? 33 HIS A NE2 5 ATOM 3074 H H . HIS A 1 33 ? -6.768 3.468 -21.431 1.00 0.00 ? 33 HIS A H 5 ATOM 3075 H HA . HIS A 1 33 ? -9.495 2.852 -20.855 1.00 0.00 ? 33 HIS A HA 5 ATOM 3076 H HB2 . HIS A 1 33 ? -8.008 3.031 -23.483 1.00 0.00 ? 33 HIS A HB2 5 ATOM 3077 H HB3 . HIS A 1 33 ? -9.753 2.846 -23.337 1.00 0.00 ? 33 HIS A HB3 5 ATOM 3078 H HD1 . HIS A 1 33 ? -9.667 4.949 -20.784 1.00 0.00 ? 33 HIS A HD1 5 ATOM 3079 H HD2 . HIS A 1 33 ? -8.465 5.551 -24.715 1.00 0.00 ? 33 HIS A HD2 5 ATOM 3080 H HE1 . HIS A 1 33 ? -9.756 7.436 -21.141 1.00 0.00 ? 33 HIS A HE1 5 ATOM 3081 N N . SER A 1 34 ? -9.740 0.541 -22.322 1.00 0.00 ? 34 SER A N 5 ATOM 3082 C CA . SER A 1 34 ? -9.878 -0.893 -22.545 1.00 0.00 ? 34 SER A CA 5 ATOM 3083 C C . SER A 1 34 ? -8.903 -1.372 -23.617 1.00 0.00 ? 34 SER A C 5 ATOM 3084 O O . SER A 1 34 ? -9.116 -1.151 -24.809 1.00 0.00 ? 34 SER A O 5 ATOM 3085 C CB . SER A 1 34 ? -11.312 -1.232 -22.955 1.00 0.00 ? 34 SER A CB 5 ATOM 3086 O OG . SER A 1 34 ? -11.409 -2.569 -23.415 1.00 0.00 ? 34 SER A OG 5 ATOM 3087 H H . SER A 1 34 ? -10.435 1.146 -22.657 1.00 0.00 ? 34 SER A H 5 ATOM 3088 H HA . SER A 1 34 ? -9.649 -1.396 -21.617 1.00 0.00 ? 34 SER A HA 5 ATOM 3089 H HB2 . SER A 1 34 ? -11.966 -1.108 -22.105 1.00 0.00 ? 34 SER A HB2 5 ATOM 3090 H HB3 . SER A 1 34 ? -11.623 -0.568 -23.749 1.00 0.00 ? 34 SER A HB3 5 ATOM 3091 H HG . SER A 1 34 ? -12.085 -2.626 -24.094 1.00 0.00 ? 34 SER A HG 5 ATOM 3092 N N . SER A 1 35 ? -7.833 -2.031 -23.183 1.00 0.00 ? 35 SER A N 5 ATOM 3093 C CA . SER A 1 35 ? -6.823 -2.538 -24.104 1.00 0.00 ? 35 SER A CA 5 ATOM 3094 C C . SER A 1 35 ? -7.290 -3.832 -24.764 1.00 0.00 ? 35 SER A C 5 ATOM 3095 O O . SER A 1 35 ? -6.815 -4.918 -24.433 1.00 0.00 ? 35 SER A O 5 ATOM 3096 C CB . SER A 1 35 ? -5.504 -2.776 -23.366 1.00 0.00 ? 35 SER A CB 5 ATOM 3097 O OG . SER A 1 35 ? -4.471 -3.130 -24.270 1.00 0.00 ? 35 SER A OG 5 ATOM 3098 H H . SER A 1 35 ? -7.719 -2.176 -22.220 1.00 0.00 ? 35 SER A H 5 ATOM 3099 H HA . SER A 1 35 ? -6.668 -1.793 -24.870 1.00 0.00 ? 35 SER A HA 5 ATOM 3100 H HB2 . SER A 1 35 ? -5.217 -1.875 -22.846 1.00 0.00 ? 35 SER A HB2 5 ATOM 3101 H HB3 . SER A 1 35 ? -5.633 -3.578 -22.654 1.00 0.00 ? 35 SER A HB3 5 ATOM 3102 H HG . SER A 1 35 ? -3.856 -3.726 -23.836 1.00 0.00 ? 35 SER A HG 5 ATOM 3103 N N . GLY A 1 36 ? -8.226 -3.707 -25.700 1.00 0.00 ? 36 GLY A N 5 ATOM 3104 C CA . GLY A 1 36 ? -8.744 -4.873 -26.392 1.00 0.00 ? 36 GLY A CA 5 ATOM 3105 C C . GLY A 1 36 ? -7.645 -5.713 -27.013 1.00 0.00 ? 36 GLY A C 5 ATOM 3106 O O . GLY A 1 36 ? -6.818 -5.205 -27.768 1.00 0.00 ? 36 GLY A O 5 ATOM 3107 H H . GLY A 1 36 ? -8.568 -2.816 -25.922 1.00 0.00 ? 36 GLY A H 5 ATOM 3108 H HA2 . GLY A 1 36 ? -9.294 -5.481 -25.689 1.00 0.00 ? 36 GLY A HA2 5 ATOM 3109 H HA3 . GLY A 1 36 ? -9.415 -4.545 -27.172 1.00 0.00 ? 36 GLY A HA3 5 ATOM 3110 N N . GLY A 1 37 ? -7.637 -7.004 -26.693 1.00 0.00 ? 37 GLY A N 5 ATOM 3111 C CA . GLY A 1 37 ? -6.626 -7.895 -27.232 1.00 0.00 ? 37 GLY A CA 5 ATOM 3112 C C . GLY A 1 37 ? -5.456 -8.084 -26.287 1.00 0.00 ? 37 GLY A C 5 ATOM 3113 O O . GLY A 1 37 ? -4.752 -7.130 -25.961 1.00 0.00 ? 37 GLY A O 5 ATOM 3114 H H . GLY A 1 37 ? -8.322 -7.353 -26.085 1.00 0.00 ? 37 GLY A H 5 ATOM 3115 H HA2 . GLY A 1 37 ? -7.077 -8.856 -27.427 1.00 0.00 ? 37 GLY A HA2 5 ATOM 3116 H HA3 . GLY A 1 37 ? -6.260 -7.485 -28.161 1.00 0.00 ? 37 GLY A HA3 5 ATOM 3117 N N . GLY A 1 38 ? -5.250 -9.321 -25.843 1.00 0.00 ? 38 GLY A N 5 ATOM 3118 C CA . GLY A 1 38 ? -4.157 -9.609 -24.933 1.00 0.00 ? 38 GLY A CA 5 ATOM 3119 C C . GLY A 1 38 ? -4.605 -9.653 -23.485 1.00 0.00 ? 38 GLY A C 5 ATOM 3120 O O . GLY A 1 38 ? -4.928 -8.622 -22.897 1.00 0.00 ? 38 GLY A O 5 ATOM 3121 H H . GLY A 1 38 ? -5.844 -10.043 -26.137 1.00 0.00 ? 38 GLY A H 5 ATOM 3122 H HA2 . GLY A 1 38 ? -3.727 -10.564 -25.195 1.00 0.00 ? 38 GLY A HA2 5 ATOM 3123 H HA3 . GLY A 1 38 ? -3.402 -8.844 -25.040 1.00 0.00 ? 38 GLY A HA3 5 ATOM 3124 N N . GLY A 1 39 ? -4.626 -10.851 -22.910 1.00 0.00 ? 39 GLY A N 5 ATOM 3125 C CA . GLY A 1 39 ? -5.042 -11.003 -21.527 1.00 0.00 ? 39 GLY A CA 5 ATOM 3126 C C . GLY A 1 39 ? -3.895 -11.398 -20.618 1.00 0.00 ? 39 GLY A C 5 ATOM 3127 O O . GLY A 1 39 ? -2.729 -11.307 -21.002 1.00 0.00 ? 39 GLY A O 5 ATOM 3128 H H . GLY A 1 39 ? -4.358 -11.639 -23.428 1.00 0.00 ? 39 GLY A H 5 ATOM 3129 H HA2 . GLY A 1 39 ? -5.455 -10.067 -21.182 1.00 0.00 ? 39 GLY A HA2 5 ATOM 3130 H HA3 . GLY A 1 39 ? -5.806 -11.764 -21.475 1.00 0.00 ? 39 GLY A HA3 5 ATOM 3131 N N . SER A 1 40 ? -4.227 -11.837 -19.408 1.00 0.00 ? 40 SER A N 5 ATOM 3132 C CA . SER A 1 40 ? -3.215 -12.243 -18.438 1.00 0.00 ? 40 SER A CA 5 ATOM 3133 C C . SER A 1 40 ? -3.560 -13.598 -17.828 1.00 0.00 ? 40 SER A C 5 ATOM 3134 O O . SER A 1 40 ? -4.545 -14.231 -18.210 1.00 0.00 ? 40 SER A O 5 ATOM 3135 C CB . SER A 1 40 ? -3.086 -11.191 -17.334 1.00 0.00 ? 40 SER A CB 5 ATOM 3136 O OG . SER A 1 40 ? -4.297 -11.061 -16.610 1.00 0.00 ? 40 SER A OG 5 ATOM 3137 H H . SER A 1 40 ? -5.174 -11.887 -19.160 1.00 0.00 ? 40 SER A H 5 ATOM 3138 H HA . SER A 1 40 ? -2.272 -12.325 -18.958 1.00 0.00 ? 40 SER A HA 5 ATOM 3139 H HB2 . SER A 1 40 ? -2.302 -11.483 -16.652 1.00 0.00 ? 40 SER A HB2 5 ATOM 3140 H HB3 . SER A 1 40 ? -2.841 -10.237 -17.777 1.00 0.00 ? 40 SER A HB3 5 ATOM 3141 H HG . SER A 1 40 ? -4.502 -10.131 -16.493 1.00 0.00 ? 40 SER A HG 5 ATOM 3142 N N . TYR A 1 41 ? -2.742 -14.036 -16.877 1.00 0.00 ? 41 TYR A N 5 ATOM 3143 C CA . TYR A 1 41 ? -2.958 -15.317 -16.215 1.00 0.00 ? 41 TYR A CA 5 ATOM 3144 C C . TYR A 1 41 ? -3.937 -15.172 -15.053 1.00 0.00 ? 41 TYR A C 5 ATOM 3145 O O . TYR A 1 41 ? -4.159 -14.071 -14.547 1.00 0.00 ? 41 TYR A O 5 ATOM 3146 C CB . TYR A 1 41 ? -1.630 -15.884 -15.710 1.00 0.00 ? 41 TYR A CB 5 ATOM 3147 C CG . TYR A 1 41 ? -1.593 -17.395 -15.669 1.00 0.00 ? 41 TYR A CG 5 ATOM 3148 C CD1 . TYR A 1 41 ? -1.995 -18.090 -14.535 1.00 0.00 ? 41 TYR A CD1 5 ATOM 3149 C CD2 . TYR A 1 41 ? -1.157 -18.128 -16.766 1.00 0.00 ? 41 TYR A CD2 5 ATOM 3150 C CE1 . TYR A 1 41 ? -1.961 -19.470 -14.494 1.00 0.00 ? 41 TYR A CE1 5 ATOM 3151 C CE2 . TYR A 1 41 ? -1.122 -19.509 -16.734 1.00 0.00 ? 41 TYR A CE2 5 ATOM 3152 C CZ . TYR A 1 41 ? -1.525 -20.175 -15.596 1.00 0.00 ? 41 TYR A CZ 5 ATOM 3153 O OH . TYR A 1 41 ? -1.492 -21.550 -15.559 1.00 0.00 ? 41 TYR A OH 5 ATOM 3154 H H . TYR A 1 41 ? -1.974 -13.487 -16.616 1.00 0.00 ? 41 TYR A H 5 ATOM 3155 H HA . TYR A 1 41 ? -3.377 -16.000 -16.940 1.00 0.00 ? 41 TYR A HA 5 ATOM 3156 H HB2 . TYR A 1 41 ? -0.835 -15.551 -16.358 1.00 0.00 ? 41 TYR A HB2 5 ATOM 3157 H HB3 . TYR A 1 41 ? -1.449 -15.521 -14.709 1.00 0.00 ? 41 TYR A HB3 5 ATOM 3158 H HD1 . TYR A 1 41 ? -2.337 -17.534 -13.674 1.00 0.00 ? 41 TYR A HD1 5 ATOM 3159 H HD2 . TYR A 1 41 ? -0.842 -17.603 -17.657 1.00 0.00 ? 41 TYR A HD2 5 ATOM 3160 H HE1 . TYR A 1 41 ? -2.277 -19.992 -13.603 1.00 0.00 ? 41 TYR A HE1 5 ATOM 3161 H HE2 . TYR A 1 41 ? -0.780 -20.062 -17.597 1.00 0.00 ? 41 TYR A HE2 5 ATOM 3162 H HH . TYR A 1 41 ? -0.580 -21.849 -15.593 1.00 0.00 ? 41 TYR A HH 5 ATOM 3163 N N . HIS A 1 42 ? -4.519 -16.291 -14.635 1.00 0.00 ? 42 HIS A N 5 ATOM 3164 C CA . HIS A 1 42 ? -5.473 -16.290 -13.532 1.00 0.00 ? 42 HIS A CA 5 ATOM 3165 C C . HIS A 1 42 ? -4.780 -16.623 -12.214 1.00 0.00 ? 42 HIS A C 5 ATOM 3166 O O . HIS A 1 42 ? -5.343 -17.311 -11.361 1.00 0.00 ? 42 HIS A O 5 ATOM 3167 C CB . HIS A 1 42 ? -6.595 -17.293 -13.799 1.00 0.00 ? 42 HIS A CB 5 ATOM 3168 C CG . HIS A 1 42 ? -7.907 -16.901 -13.193 1.00 0.00 ? 42 HIS A CG 5 ATOM 3169 N ND1 . HIS A 1 42 ? -8.974 -16.444 -13.939 1.00 0.00 ? 42 HIS A ND1 5 ATOM 3170 C CD2 . HIS A 1 42 ? -8.322 -16.899 -11.905 1.00 0.00 ? 42 HIS A CD2 5 ATOM 3171 C CE1 . HIS A 1 42 ? -9.988 -16.178 -13.135 1.00 0.00 ? 42 HIS A CE1 5 ATOM 3172 N NE2 . HIS A 1 42 ? -9.618 -16.446 -11.895 1.00 0.00 ? 42 HIS A NE2 5 ATOM 3173 H H . HIS A 1 42 ? -4.301 -17.137 -15.078 1.00 0.00 ? 42 HIS A H 5 ATOM 3174 H HA . HIS A 1 42 ? -5.897 -15.300 -13.461 1.00 0.00 ? 42 HIS A HA 5 ATOM 3175 H HB2 . HIS A 1 42 ? -6.738 -17.388 -14.866 1.00 0.00 ? 42 HIS A HB2 5 ATOM 3176 H HB3 . HIS A 1 42 ? -6.315 -18.254 -13.392 1.00 0.00 ? 42 HIS A HB3 5 ATOM 3177 H HD1 . HIS A 1 42 ? -8.986 -16.331 -14.911 1.00 0.00 ? 42 HIS A HD1 5 ATOM 3178 H HD2 . HIS A 1 42 ? -7.742 -17.199 -11.043 1.00 0.00 ? 42 HIS A HD2 5 ATOM 3179 H HE1 . HIS A 1 42 ? -10.955 -15.805 -13.438 1.00 0.00 ? 42 HIS A HE1 5 ATOM 3180 N N . CYS A 1 43 ? -3.556 -16.132 -12.054 1.00 0.00 ? 43 CYS A N 5 ATOM 3181 C CA . CYS A 1 43 ? -2.785 -16.378 -10.841 1.00 0.00 ? 43 CYS A CA 5 ATOM 3182 C C . CYS A 1 43 ? -3.142 -15.367 -9.755 1.00 0.00 ? 43 CYS A C 5 ATOM 3183 O O . CYS A 1 43 ? -3.147 -15.723 -8.578 1.00 0.00 ? 43 CYS A O 5 ATOM 3184 C CB . CYS A 1 43 ? -1.287 -16.312 -11.142 1.00 0.00 ? 43 CYS A CB 5 ATOM 3185 S SG . CYS A 1 43 ? -0.257 -17.302 -10.010 1.00 0.00 ? 43 CYS A SG 5 ATOM 3186 H H . CYS A 1 43 ? -3.161 -15.590 -12.769 1.00 0.00 ? 43 CYS A H 5 ATOM 3187 H HA . CYS A 1 43 ? -3.030 -17.368 -10.487 1.00 0.00 ? 43 CYS A HA 5 ATOM 3188 H HB2 . CYS A 1 43 ? -1.113 -16.674 -12.145 1.00 0.00 ? 43 CYS A HB2 5 ATOM 3189 H HB3 . CYS A 1 43 ? -0.958 -15.286 -11.073 1.00 0.00 ? 43 CYS A HB3 5 HETATM 3190 C C1 . NAG B 2 . ? 6.309 19.117 -20.202 1.00 0.00 ? 101 NAG A C1 5 HETATM 3191 C C2 . NAG B 2 . ? 6.619 20.141 -19.108 1.00 0.00 ? 101 NAG A C2 5 HETATM 3192 C C3 . NAG B 2 . ? 7.141 21.427 -19.758 1.00 0.00 ? 101 NAG A C3 5 HETATM 3193 C C4 . NAG B 2 . ? 8.317 21.071 -20.674 1.00 0.00 ? 101 NAG A C4 5 HETATM 3194 C C5 . NAG B 2 . ? 7.878 19.976 -21.649 1.00 0.00 ? 101 NAG A C5 5 HETATM 3195 C C6 . NAG B 2 . ? 9.039 19.638 -22.588 1.00 0.00 ? 101 NAG A C6 5 HETATM 3196 C C7 . NAG B 2 . ? 5.092 19.707 -17.260 1.00 0.00 ? 101 NAG A C7 5 HETATM 3197 C C8 . NAG B 2 . ? 3.838 20.009 -16.482 1.00 0.00 ? 101 NAG A C8 5 HETATM 3198 N N2 . NAG B 2 . ? 5.401 20.435 -18.351 1.00 0.00 ? 101 NAG A N2 5 HETATM 3199 O O3 . NAG B 2 . ? 7.578 22.340 -18.751 1.00 0.00 ? 101 NAG A O3 5 HETATM 3200 O O4 . NAG B 2 . ? 8.724 22.228 -21.407 1.00 0.00 ? 101 NAG A O4 5 HETATM 3201 O O5 . NAG B 2 . ? 7.498 18.808 -20.925 1.00 0.00 ? 101 NAG A O5 5 HETATM 3202 O O6 . NAG B 2 . ? 8.629 18.620 -23.504 1.00 0.00 ? 101 NAG A O6 5 HETATM 3203 O O7 . NAG B 2 . ? 5.824 18.808 -16.905 1.00 0.00 ? 101 NAG A O7 5 HETATM 3204 H H1 . NAG B 2 . ? 5.563 19.538 -20.892 1.00 0.00 ? 101 NAG A H1 5 HETATM 3205 H H2 . NAG B 2 . ? 7.381 19.734 -18.426 1.00 0.00 ? 101 NAG A H2 5 HETATM 3206 H H3 . NAG B 2 . ? 6.337 21.901 -20.342 1.00 0.00 ? 101 NAG A H3 5 HETATM 3207 H H4 . NAG B 2 . ? 9.162 20.713 -20.068 1.00 0.00 ? 101 NAG A H4 5 HETATM 3208 H H5 . NAG B 2 . ? 7.020 20.335 -22.236 1.00 0.00 ? 101 NAG A H5 5 HETATM 3209 H H61 . NAG B 2 . ? 9.353 20.538 -23.139 1.00 0.00 ? 101 NAG A H61 5 HETATM 3210 H H62 . NAG B 2 . ? 9.908 19.297 -22.006 1.00 0.00 ? 101 NAG A H62 5 HETATM 3211 H H81 . NAG B 2 . ? 3.902 21.024 -16.063 1.00 0.00 ? 101 NAG A H81 5 HETATM 3212 H H82 . NAG B 2 . ? 2.967 19.942 -17.149 1.00 0.00 ? 101 NAG A H82 5 HETATM 3213 H H83 . NAG B 2 . ? 3.730 19.281 -15.664 1.00 0.00 ? 101 NAG A H83 5 HETATM 3214 H HN2 . NAG B 2 . ? 4.798 21.177 -18.644 1.00 0.00 ? 101 NAG A HN2 5 HETATM 3215 H HO3 . NAG B 2 . ? 7.919 23.176 -19.181 1.00 0.00 ? 101 NAG A HO3 5 HETATM 3216 H HO4 . NAG B 2 . ? 9.704 22.173 -21.601 1.00 0.00 ? 101 NAG A HO4 5 HETATM 3217 H HO6 . NAG B 2 . ? 8.016 17.981 -23.039 1.00 0.00 ? 101 NAG A HO6 5 HETATM 3218 C C1 . NAG C 2 . ? 0.232 -16.820 -8.144 1.00 0.00 ? 102 NAG A C1 5 HETATM 3219 C C2 . NAG C 2 . ? 0.464 -16.902 -6.634 1.00 0.00 ? 102 NAG A C2 5 HETATM 3220 C C3 . NAG C 2 . ? 0.547 -15.482 -6.063 1.00 0.00 ? 102 NAG A C3 5 HETATM 3221 C C4 . NAG C 2 . ? 1.606 -14.699 -6.846 1.00 0.00 ? 102 NAG A C4 5 HETATM 3222 C C5 . NAG C 2 . ? 1.287 -14.785 -8.341 1.00 0.00 ? 102 NAG A C5 5 HETATM 3223 C C6 . NAG C 2 . ? 2.322 -13.978 -9.127 1.00 0.00 ? 102 NAG A C6 5 HETATM 3224 C C7 . NAG C 2 . ? -0.586 -18.957 -5.853 1.00 0.00 ? 102 NAG A C7 5 HETATM 3225 C C8 . NAG C 2 . ? -1.728 -19.695 -5.205 1.00 0.00 ? 102 NAG A C8 5 HETATM 3226 N N2 . NAG C 2 . ? -0.646 -17.619 -6.005 1.00 0.00 ? 102 NAG A N2 5 HETATM 3227 O O3 . NAG C 2 . ? 0.913 -15.534 -4.683 1.00 0.00 ? 102 NAG A O3 5 HETATM 3228 O O4 . NAG C 2 . ? 1.596 -13.332 -6.434 1.00 0.00 ? 102 NAG A O4 5 HETATM 3229 O O5 . NAG C 2 . ? 1.323 -16.145 -8.765 1.00 0.00 ? 102 NAG A O5 5 HETATM 3230 O O6 . NAG C 2 . ? 2.023 -14.051 -10.523 1.00 0.00 ? 102 NAG A O6 5 HETATM 3231 O O7 . NAG C 2 . ? 0.389 -19.566 -6.238 1.00 0.00 ? 102 NAG A O7 5 HETATM 3232 H H1 . NAG C 2 . ? -0.697 -16.265 -8.339 1.00 0.00 ? 102 NAG A H1 5 HETATM 3233 H H2 . NAG C 2 . ? 1.403 -17.439 -6.433 1.00 0.00 ? 102 NAG A H2 5 HETATM 3234 H H3 . NAG C 2 . ? -0.432 -14.989 -6.152 1.00 0.00 ? 102 NAG A H3 5 HETATM 3235 H H4 . NAG C 2 . ? 2.600 -15.127 -6.653 1.00 0.00 ? 102 NAG A H4 5 HETATM 3236 H H5 . NAG C 2 . ? 0.282 -14.375 -8.522 1.00 0.00 ? 102 NAG A H5 5 HETATM 3237 H H61 . NAG C 2 . ? 2.316 -12.929 -8.795 1.00 0.00 ? 102 NAG A H61 5 HETATM 3238 H H62 . NAG C 2 . ? 3.332 -14.371 -8.936 1.00 0.00 ? 102 NAG A H62 5 HETATM 3239 H H81 . NAG C 2 . ? -2.614 -19.641 -5.854 1.00 0.00 ? 102 NAG A H81 5 HETATM 3240 H H82 . NAG C 2 . ? -1.447 -20.748 -5.056 1.00 0.00 ? 102 NAG A H82 5 HETATM 3241 H H83 . NAG C 2 . ? -1.958 -19.236 -4.232 1.00 0.00 ? 102 NAG A H83 5 HETATM 3242 H HN2 . NAG C 2 . ? -1.449 -17.116 -5.687 1.00 0.00 ? 102 NAG A HN2 5 HETATM 3243 H HO3 . NAG C 2 . ? 0.967 -14.605 -4.317 1.00 0.00 ? 102 NAG A HO3 5 HETATM 3244 H HO4 . NAG C 2 . ? 2.514 -12.947 -6.531 1.00 0.00 ? 102 NAG A HO4 5 HETATM 3245 H HO6 . NAG C 2 . ? 1.666 -14.960 -10.740 1.00 0.00 ? 102 NAG A HO6 5 ATOM 3246 N N . LYS A 1 1 ? 2.340 -1.611 -3.535 1.00 0.00 ? 1 LYS A N 6 ATOM 3247 C CA . LYS A 1 1 ? 2.750 -1.161 -4.860 1.00 0.00 ? 1 LYS A CA 6 ATOM 3248 C C . LYS A 1 1 ? 4.269 -1.042 -4.949 1.00 0.00 ? 1 LYS A C 6 ATOM 3249 O O . LYS A 1 1 ? 4.968 -0.952 -3.940 1.00 0.00 ? 1 LYS A O 6 ATOM 3250 C CB . LYS A 1 1 ? 2.103 0.187 -5.186 1.00 0.00 ? 1 LYS A CB 6 ATOM 3251 C CG . LYS A 1 1 ? 0.721 0.064 -5.805 1.00 0.00 ? 1 LYS A CG 6 ATOM 3252 C CD . LYS A 1 1 ? -0.095 1.329 -5.602 1.00 0.00 ? 1 LYS A CD 6 ATOM 3253 C CE . LYS A 1 1 ? -1.420 1.264 -6.347 1.00 0.00 ? 1 LYS A CE 6 ATOM 3254 N NZ . LYS A 1 1 ? -2.479 0.600 -5.538 1.00 0.00 ? 1 LYS A NZ 6 ATOM 3255 H H1 . LYS A 1 1 ? 1.990 -0.956 -2.895 1.00 0.00 ? 1 LYS A H1 6 ATOM 3256 H HA . LYS A 1 1 ? 2.416 -1.894 -5.578 1.00 0.00 ? 1 LYS A HA 6 ATOM 3257 H HB2 . LYS A 1 1 ? 2.017 0.761 -4.276 1.00 0.00 ? 1 LYS A HB2 6 ATOM 3258 H HB3 . LYS A 1 1 ? 2.739 0.720 -5.879 1.00 0.00 ? 1 LYS A HB3 6 ATOM 3259 H HG2 . LYS A 1 1 ? 0.826 -0.117 -6.865 1.00 0.00 ? 1 LYS A HG2 6 ATOM 3260 H HG3 . LYS A 1 1 ? 0.203 -0.766 -5.345 1.00 0.00 ? 1 LYS A HG3 6 ATOM 3261 H HD2 . LYS A 1 1 ? -0.294 1.454 -4.548 1.00 0.00 ? 1 LYS A HD2 6 ATOM 3262 H HD3 . LYS A 1 1 ? 0.471 2.175 -5.966 1.00 0.00 ? 1 LYS A HD3 6 ATOM 3263 H HE2 . LYS A 1 1 ? -1.735 2.268 -6.583 1.00 0.00 ? 1 LYS A HE2 6 ATOM 3264 H HE3 . LYS A 1 1 ? -1.276 0.708 -7.262 1.00 0.00 ? 1 LYS A HE3 6 ATOM 3265 H HZ1 . LYS A 1 1 ? -3.306 0.392 -6.133 1.00 0.00 ? 1 LYS A HZ1 6 ATOM 3266 H HZ2 . LYS A 1 1 ? -2.774 1.221 -4.758 1.00 0.00 ? 1 LYS A HZ2 6 ATOM 3267 H HZ3 . LYS A 1 1 ? -2.119 -0.291 -5.139 1.00 0.00 ? 1 LYS A HZ3 6 ATOM 3268 N N . PRO A 1 2 ? 4.792 -1.040 -6.184 1.00 0.00 ? 2 PRO A N 6 ATOM 3269 C CA . PRO A 1 2 ? 6.232 -0.931 -6.433 1.00 0.00 ? 2 PRO A CA 6 ATOM 3270 C C . PRO A 1 2 ? 6.776 0.453 -6.095 1.00 0.00 ? 2 PRO A C 6 ATOM 3271 O O . PRO A 1 2 ? 6.088 1.267 -5.479 1.00 0.00 ? 2 PRO A O 6 ATOM 3272 C CB . PRO A 1 2 ? 6.354 -1.201 -7.935 1.00 0.00 ? 2 PRO A CB 6 ATOM 3273 C CG . PRO A 1 2 ? 5.028 -0.819 -8.497 1.00 0.00 ? 2 PRO A CG 6 ATOM 3274 C CD . PRO A 1 2 ? 4.017 -1.144 -7.432 1.00 0.00 ? 2 PRO A CD 6 ATOM 3275 H HA . PRO A 1 2 ? 6.788 -1.678 -5.885 1.00 0.00 ? 2 PRO A HA 6 ATOM 3276 H HB2 . PRO A 1 2 ? 7.148 -0.596 -8.349 1.00 0.00 ? 2 PRO A HB2 6 ATOM 3277 H HB3 . PRO A 1 2 ? 6.566 -2.246 -8.100 1.00 0.00 ? 2 PRO A HB3 6 ATOM 3278 H HG2 . PRO A 1 2 ? 5.013 0.237 -8.718 1.00 0.00 ? 2 PRO A HG2 6 ATOM 3279 H HG3 . PRO A 1 2 ? 4.829 -1.393 -9.390 1.00 0.00 ? 2 PRO A HG3 6 ATOM 3280 H HD2 . PRO A 1 2 ? 3.210 -0.427 -7.446 1.00 0.00 ? 2 PRO A HD2 6 ATOM 3281 H HD3 . PRO A 1 2 ? 3.637 -2.146 -7.566 1.00 0.00 ? 2 PRO A HD3 6 ATOM 3282 N N . ALA A 1 3 ? 8.014 0.713 -6.502 1.00 0.00 ? 3 ALA A N 6 ATOM 3283 C CA . ALA A 1 3 ? 8.648 2.000 -6.244 1.00 0.00 ? 3 ALA A CA 6 ATOM 3284 C C . ALA A 1 3 ? 8.366 2.987 -7.372 1.00 0.00 ? 3 ALA A C 6 ATOM 3285 O O . ALA A 1 3 ? 8.969 4.058 -7.437 1.00 0.00 ? 3 ALA A O 6 ATOM 3286 C CB . ALA A 1 3 ? 10.148 1.822 -6.060 1.00 0.00 ? 3 ALA A CB 6 ATOM 3287 H H . ALA A 1 3 ? 8.512 0.024 -6.989 1.00 0.00 ? 3 ALA A H 6 ATOM 3288 H HA . ALA A 1 3 ? 8.241 2.394 -5.324 1.00 0.00 ? 3 ALA A HA 6 ATOM 3289 H HB1 . ALA A 1 3 ? 10.343 0.851 -5.628 1.00 0.00 ? 3 ALA A HB1 6 ATOM 3290 H HB2 . ALA A 1 3 ? 10.639 1.896 -7.018 1.00 0.00 ? 3 ALA A HB2 6 ATOM 3291 H HB3 . ALA A 1 3 ? 10.523 2.591 -5.402 1.00 0.00 ? 3 ALA A HB3 6 ATOM 3292 N N . TRP A 1 4 ? 7.447 2.619 -8.257 1.00 0.00 ? 4 TRP A N 6 ATOM 3293 C CA . TRP A 1 4 ? 7.085 3.473 -9.383 1.00 0.00 ? 4 TRP A CA 6 ATOM 3294 C C . TRP A 1 4 ? 5.741 4.152 -9.142 1.00 0.00 ? 4 TRP A C 6 ATOM 3295 O O . TRP A 1 4 ? 5.586 5.348 -9.389 1.00 0.00 ? 4 TRP A O 6 ATOM 3296 C CB . TRP A 1 4 ? 7.033 2.655 -10.674 1.00 0.00 ? 4 TRP A CB 6 ATOM 3297 C CG . TRP A 1 4 ? 7.794 1.366 -10.592 1.00 0.00 ? 4 TRP A CG 6 ATOM 3298 C CD1 . TRP A 1 4 ? 9.080 1.199 -10.163 1.00 0.00 ? 4 TRP A CD1 6 ATOM 3299 C CD2 . TRP A 1 4 ? 7.316 0.064 -10.948 1.00 0.00 ? 4 TRP A CD2 6 ATOM 3300 N NE1 . TRP A 1 4 ? 9.430 -0.128 -10.232 1.00 0.00 ? 4 TRP A NE1 6 ATOM 3301 C CE2 . TRP A 1 4 ? 8.365 -0.845 -10.710 1.00 0.00 ? 4 TRP A CE2 6 ATOM 3302 C CE3 . TRP A 1 4 ? 6.103 -0.422 -11.444 1.00 0.00 ? 4 TRP A CE3 6 ATOM 3303 C CZ2 . TRP A 1 4 ? 8.237 -2.210 -10.952 1.00 0.00 ? 4 TRP A CZ2 6 ATOM 3304 C CZ3 . TRP A 1 4 ? 5.977 -1.777 -11.683 1.00 0.00 ? 4 TRP A CZ3 6 ATOM 3305 C CH2 . TRP A 1 4 ? 7.038 -2.658 -11.437 1.00 0.00 ? 4 TRP A CH2 6 ATOM 3306 H H . TRP A 1 4 ? 7.000 1.753 -8.152 1.00 0.00 ? 4 TRP A H 6 ATOM 3307 H HA . TRP A 1 4 ? 7.847 4.233 -9.480 1.00 0.00 ? 4 TRP A HA 6 ATOM 3308 H HB2 . TRP A 1 4 ? 6.005 2.420 -10.903 1.00 0.00 ? 4 TRP A HB2 6 ATOM 3309 H HB3 . TRP A 1 4 ? 7.454 3.240 -11.479 1.00 0.00 ? 4 TRP A HB3 6 ATOM 3310 H HD1 . TRP A 1 4 ? 9.717 2.002 -9.825 1.00 0.00 ? 4 TRP A HD1 6 ATOM 3311 H HE1 . TRP A 1 4 ? 10.301 -0.500 -9.979 1.00 0.00 ? 4 TRP A HE1 6 ATOM 3312 H HE3 . TRP A 1 4 ? 5.274 0.241 -11.640 1.00 0.00 ? 4 TRP A HE3 6 ATOM 3313 H HZ2 . TRP A 1 4 ? 9.045 -2.902 -10.766 1.00 0.00 ? 4 TRP A HZ2 6 ATOM 3314 H HZ3 . TRP A 1 4 ? 5.048 -2.172 -12.067 1.00 0.00 ? 4 TRP A HZ3 6 ATOM 3315 H HH2 . TRP A 1 4 ? 6.895 -3.709 -11.639 1.00 0.00 ? 4 TRP A HH2 6 ATOM 3316 N N . CYS A 1 5 ? 4.772 3.381 -8.659 1.00 0.00 ? 5 CYS A N 6 ATOM 3317 C CA . CYS A 1 5 ? 3.441 3.908 -8.385 1.00 0.00 ? 5 CYS A CA 6 ATOM 3318 C C . CYS A 1 5 ? 3.348 4.436 -6.956 1.00 0.00 ? 5 CYS A C 6 ATOM 3319 O O . CYS A 1 5 ? 4.358 4.563 -6.264 1.00 0.00 ? 5 CYS A O 6 ATOM 3320 C CB . CYS A 1 5 ? 2.385 2.824 -8.609 1.00 0.00 ? 5 CYS A CB 6 ATOM 3321 S SG . CYS A 1 5 ? 2.639 1.840 -10.121 1.00 0.00 ? 5 CYS A SG 6 ATOM 3322 H H . CYS A 1 5 ? 4.957 2.434 -8.483 1.00 0.00 ? 5 CYS A H 6 ATOM 3323 H HA . CYS A 1 5 ? 3.259 4.723 -9.069 1.00 0.00 ? 5 CYS A HA 6 ATOM 3324 H HB2 . CYS A 1 5 ? 2.395 2.143 -7.770 1.00 0.00 ? 5 CYS A HB2 6 ATOM 3325 H HB3 . CYS A 1 5 ? 1.412 3.288 -8.678 1.00 0.00 ? 5 CYS A HB3 6 ATOM 3326 N N . TRP A 1 6 ? 2.131 4.741 -6.522 1.00 0.00 ? 6 TRP A N 6 ATOM 3327 C CA . TRP A 1 6 ? 1.906 5.255 -5.176 1.00 0.00 ? 6 TRP A CA 6 ATOM 3328 C C . TRP A 1 6 ? 0.471 4.999 -4.728 1.00 0.00 ? 6 TRP A C 6 ATOM 3329 O O . TRP A 1 6 ? 0.226 4.622 -3.582 1.00 0.00 ? 6 TRP A O 6 ATOM 3330 C CB . TRP A 1 6 ? 2.211 6.753 -5.122 1.00 0.00 ? 6 TRP A CB 6 ATOM 3331 C CG . TRP A 1 6 ? 2.905 7.172 -3.862 1.00 0.00 ? 6 TRP A CG 6 ATOM 3332 C CD1 . TRP A 1 6 ? 4.233 7.452 -3.711 1.00 0.00 ? 6 TRP A CD1 6 ATOM 3333 C CD2 . TRP A 1 6 ? 2.306 7.359 -2.575 1.00 0.00 ? 6 TRP A CD2 6 ATOM 3334 N NE1 . TRP A 1 6 ? 4.496 7.800 -2.408 1.00 0.00 ? 6 TRP A NE1 6 ATOM 3335 C CE2 . TRP A 1 6 ? 3.330 7.752 -1.691 1.00 0.00 ? 6 TRP A CE2 6 ATOM 3336 C CE3 . TRP A 1 6 ? 1.003 7.234 -2.083 1.00 0.00 ? 6 TRP A CE3 6 ATOM 3337 C CZ2 . TRP A 1 6 ? 3.090 8.018 -0.346 1.00 0.00 ? 6 TRP A CZ2 6 ATOM 3338 C CZ3 . TRP A 1 6 ? 0.767 7.498 -0.748 1.00 0.00 ? 6 TRP A CZ3 6 ATOM 3339 C CH2 . TRP A 1 6 ? 1.806 7.888 0.108 1.00 0.00 ? 6 TRP A CH2 6 ATOM 3340 H H . TRP A 1 6 ? 1.364 4.618 -7.121 1.00 0.00 ? 6 TRP A H 6 ATOM 3341 H HA . TRP A 1 6 ? 2.577 4.736 -4.508 1.00 0.00 ? 6 TRP A HA 6 ATOM 3342 H HB2 . TRP A 1 6 ? 2.846 7.015 -5.955 1.00 0.00 ? 6 TRP A HB2 6 ATOM 3343 H HB3 . TRP A 1 6 ? 1.284 7.304 -5.193 1.00 0.00 ? 6 TRP A HB3 6 ATOM 3344 H HD1 . TRP A 1 6 ? 4.959 7.400 -4.508 1.00 0.00 ? 6 TRP A HD1 6 ATOM 3345 H HE1 . TRP A 1 6 ? 5.376 8.045 -2.052 1.00 0.00 ? 6 TRP A HE1 6 ATOM 3346 H HE3 . TRP A 1 6 ? 0.190 6.935 -2.727 1.00 0.00 ? 6 TRP A HE3 6 ATOM 3347 H HZ2 . TRP A 1 6 ? 3.880 8.320 0.327 1.00 0.00 ? 6 TRP A HZ2 6 ATOM 3348 H HZ3 . TRP A 1 6 ? -0.232 7.406 -0.349 1.00 0.00 ? 6 TRP A HZ3 6 ATOM 3349 H HH2 . TRP A 1 6 ? 1.576 8.084 1.144 1.00 0.00 ? 6 TRP A HH2 6 ATOM 3350 N N . TYR A 1 7 ? -0.474 5.206 -5.639 1.00 0.00 ? 7 TYR A N 6 ATOM 3351 C CA . TYR A 1 7 ? -1.885 4.999 -5.336 1.00 0.00 ? 7 TYR A CA 6 ATOM 3352 C C . TYR A 1 7 ? -2.750 5.265 -6.564 1.00 0.00 ? 7 TYR A C 6 ATOM 3353 O O . TYR A 1 7 ? -2.245 5.383 -7.681 1.00 0.00 ? 7 TYR A O 6 ATOM 3354 C CB . TYR A 1 7 ? -2.320 5.909 -4.186 1.00 0.00 ? 7 TYR A CB 6 ATOM 3355 C CG . TYR A 1 7 ? -3.202 5.220 -3.169 1.00 0.00 ? 7 TYR A CG 6 ATOM 3356 C CD1 . TYR A 1 7 ? -2.767 4.084 -2.499 1.00 0.00 ? 7 TYR A CD1 6 ATOM 3357 C CD2 . TYR A 1 7 ? -4.471 5.706 -2.879 1.00 0.00 ? 7 TYR A CD2 6 ATOM 3358 C CE1 . TYR A 1 7 ? -3.570 3.451 -1.570 1.00 0.00 ? 7 TYR A CE1 6 ATOM 3359 C CE2 . TYR A 1 7 ? -5.280 5.080 -1.950 1.00 0.00 ? 7 TYR A CE2 6 ATOM 3360 C CZ . TYR A 1 7 ? -4.825 3.953 -1.299 1.00 0.00 ? 7 TYR A CZ 6 ATOM 3361 O OH . TYR A 1 7 ? -5.628 3.326 -0.373 1.00 0.00 ? 7 TYR A OH 6 ATOM 3362 H H . TYR A 1 7 ? -0.217 5.505 -6.536 1.00 0.00 ? 7 TYR A H 6 ATOM 3363 H HA . TYR A 1 7 ? -2.013 3.969 -5.036 1.00 0.00 ? 7 TYR A HA 6 ATOM 3364 H HB2 . TYR A 1 7 ? -1.443 6.271 -3.672 1.00 0.00 ? 7 TYR A HB2 6 ATOM 3365 H HB3 . TYR A 1 7 ? -2.869 6.748 -4.587 1.00 0.00 ? 7 TYR A HB3 6 ATOM 3366 H HD1 . TYR A 1 7 ? -1.782 3.693 -2.713 1.00 0.00 ? 7 TYR A HD1 6 ATOM 3367 H HD2 . TYR A 1 7 ? -4.824 6.589 -3.391 1.00 0.00 ? 7 TYR A HD2 6 ATOM 3368 H HE1 . TYR A 1 7 ? -3.213 2.568 -1.059 1.00 0.00 ? 7 TYR A HE1 6 ATOM 3369 H HE2 . TYR A 1 7 ? -6.264 5.473 -1.738 1.00 0.00 ? 7 TYR A HE2 6 ATOM 3370 H HH . TYR A 1 7 ? -6.517 3.684 -0.426 1.00 0.00 ? 7 TYR A HH 6 ATOM 3371 N N . THR A 1 8 ? -4.059 5.358 -6.350 1.00 0.00 ? 8 THR A N 6 ATOM 3372 C CA . THR A 1 8 ? -4.996 5.609 -7.437 1.00 0.00 ? 8 THR A CA 6 ATOM 3373 C C . THR A 1 8 ? -5.361 7.087 -7.519 1.00 0.00 ? 8 THR A C 6 ATOM 3374 O O . THR A 1 8 ? -6.420 7.448 -8.032 1.00 0.00 ? 8 THR A O 6 ATOM 3375 C CB . THR A 1 8 ? -6.285 4.783 -7.270 1.00 0.00 ? 8 THR A CB 6 ATOM 3376 O OG1 . THR A 1 8 ? -5.968 3.474 -6.783 1.00 0.00 ? 8 THR A OG1 6 ATOM 3377 C CG2 . THR A 1 8 ? -7.031 4.671 -8.591 1.00 0.00 ? 8 THR A CG2 6 ATOM 3378 H H . THR A 1 8 ? -4.401 5.254 -5.437 1.00 0.00 ? 8 THR A H 6 ATOM 3379 H HA . THR A 1 8 ? -4.521 5.314 -8.361 1.00 0.00 ? 8 THR A HA 6 ATOM 3380 H HB . THR A 1 8 ? -6.923 5.280 -6.554 1.00 0.00 ? 8 THR A HB 6 ATOM 3381 H HG1 . THR A 1 8 ? -6.297 3.378 -5.886 1.00 0.00 ? 8 THR A HG1 6 ATOM 3382 H HG21 . THR A 1 8 ? -7.972 5.195 -8.518 1.00 0.00 ? 8 THR A HG21 6 ATOM 3383 H HG22 . THR A 1 8 ? -7.216 3.630 -8.813 1.00 0.00 ? 8 THR A HG22 6 ATOM 3384 H HG23 . THR A 1 8 ? -6.435 5.107 -9.379 1.00 0.00 ? 8 THR A HG23 6 ATOM 3385 N N . LEU A 1 9 ? -4.476 7.938 -7.010 1.00 0.00 ? 9 LEU A N 6 ATOM 3386 C CA . LEU A 1 9 ? -4.705 9.379 -7.026 1.00 0.00 ? 9 LEU A CA 6 ATOM 3387 C C . LEU A 1 9 ? -4.657 9.922 -8.451 1.00 0.00 ? 9 LEU A C 6 ATOM 3388 O O . LEU A 1 9 ? -5.296 10.926 -8.764 1.00 0.00 ? 9 LEU A O 6 ATOM 3389 C CB . LEU A 1 9 ? -3.662 10.090 -6.162 1.00 0.00 ? 9 LEU A CB 6 ATOM 3390 C CG . LEU A 1 9 ? -4.071 10.377 -4.717 1.00 0.00 ? 9 LEU A CG 6 ATOM 3391 C CD1 . LEU A 1 9 ? -5.147 11.451 -4.669 1.00 0.00 ? 9 LEU A CD1 6 ATOM 3392 C CD2 . LEU A 1 9 ? -4.555 9.104 -4.037 1.00 0.00 ? 9 LEU A CD2 6 ATOM 3393 H H . LEU A 1 9 ? -3.650 7.591 -6.614 1.00 0.00 ? 9 LEU A H 6 ATOM 3394 H HA . LEU A 1 9 ? -5.687 9.563 -6.616 1.00 0.00 ? 9 LEU A HA 6 ATOM 3395 H HB2 . LEU A 1 9 ? -2.777 9.475 -6.139 1.00 0.00 ? 9 LEU A HB2 6 ATOM 3396 H HB3 . LEU A 1 9 ? -3.431 11.034 -6.635 1.00 0.00 ? 9 LEU A HB3 6 ATOM 3397 H HG . LEU A 1 9 ? -3.211 10.742 -4.172 1.00 0.00 ? 9 LEU A HG 6 ATOM 3398 H HD11 . LEU A 1 9 ? -6.119 10.990 -4.755 1.00 0.00 ? 9 LEU A HD11 6 ATOM 3399 H HD12 . LEU A 1 9 ? -5.002 12.142 -5.486 1.00 0.00 ? 9 LEU A HD12 6 ATOM 3400 H HD13 . LEU A 1 9 ? -5.082 11.983 -3.731 1.00 0.00 ? 9 LEU A HD13 6 ATOM 3401 H HD21 . LEU A 1 9 ? -4.180 9.072 -3.025 1.00 0.00 ? 9 LEU A HD21 6 ATOM 3402 H HD22 . LEU A 1 9 ? -4.193 8.245 -4.583 1.00 0.00 ? 9 LEU A HD22 6 ATOM 3403 H HD23 . LEU A 1 9 ? -5.635 9.092 -4.022 1.00 0.00 ? 9 LEU A HD23 6 ATOM 3404 N N . ALA A 1 10 ? -3.898 9.250 -9.310 1.00 0.00 ? 10 ALA A N 6 ATOM 3405 C CA . ALA A 1 10 ? -3.771 9.662 -10.702 1.00 0.00 ? 10 ALA A CA 6 ATOM 3406 C C . ALA A 1 10 ? -3.086 11.020 -10.812 1.00 0.00 ? 10 ALA A C 6 ATOM 3407 O O . ALA A 1 10 ? -3.680 11.989 -11.284 1.00 0.00 ? 10 ALA A O 6 ATOM 3408 C CB . ALA A 1 10 ? -5.139 9.703 -11.367 1.00 0.00 ? 10 ALA A CB 6 ATOM 3409 H H . ALA A 1 10 ? -3.414 8.457 -9.000 1.00 0.00 ? 10 ALA A H 6 ATOM 3410 H HA . ALA A 1 10 ? -3.170 8.925 -11.215 1.00 0.00 ? 10 ALA A HA 6 ATOM 3411 H HB1 . ALA A 1 10 ? -5.026 9.546 -12.430 1.00 0.00 ? 10 ALA A HB1 6 ATOM 3412 H HB2 . ALA A 1 10 ? -5.764 8.927 -10.952 1.00 0.00 ? 10 ALA A HB2 6 ATOM 3413 H HB3 . ALA A 1 10 ? -5.595 10.666 -11.192 1.00 0.00 ? 10 ALA A HB3 6 ATOM 3414 N N . MET A 1 11 ? -1.834 11.083 -10.371 1.00 0.00 ? 11 MET A N 6 ATOM 3415 C CA . MET A 1 11 ? -1.068 12.324 -10.421 1.00 0.00 ? 11 MET A CA 6 ATOM 3416 C C . MET A 1 11 ? -1.084 12.917 -11.826 1.00 0.00 ? 11 MET A C 6 ATOM 3417 O O . MET A 1 11 ? -1.721 13.942 -12.071 1.00 0.00 ? 11 MET A O 6 ATOM 3418 C CB . MET A 1 11 ? 0.375 12.076 -9.976 1.00 0.00 ? 11 MET A CB 6 ATOM 3419 C CG . MET A 1 11 ? 0.486 11.461 -8.590 1.00 0.00 ? 11 MET A CG 6 ATOM 3420 S SD . MET A 1 11 ? 0.251 12.670 -7.273 1.00 0.00 ? 11 MET A SD 6 ATOM 3421 C CE . MET A 1 11 ? -0.986 11.846 -6.274 1.00 0.00 ? 11 MET A CE 6 ATOM 3422 H H . MET A 1 11 ? -1.413 10.277 -10.005 1.00 0.00 ? 11 MET A H 6 ATOM 3423 H HA . MET A 1 11 ? -1.529 13.025 -9.742 1.00 0.00 ? 11 MET A HA 6 ATOM 3424 H HB2 . MET A 1 11 ? 0.847 11.408 -10.681 1.00 0.00 ? 11 MET A HB2 6 ATOM 3425 H HB3 . MET A 1 11 ? 0.905 13.017 -9.972 1.00 0.00 ? 11 MET A HB3 6 ATOM 3426 H HG2 . MET A 1 11 ? -0.265 10.691 -8.491 1.00 0.00 ? 11 MET A HG2 6 ATOM 3427 H HG3 . MET A 1 11 ? 1.466 11.020 -8.485 1.00 0.00 ? 11 MET A HG3 6 ATOM 3428 H HE1 . MET A 1 11 ? -0.578 11.637 -5.296 1.00 0.00 ? 11 MET A HE1 6 ATOM 3429 H HE2 . MET A 1 11 ? -1.852 12.483 -6.174 1.00 0.00 ? 11 MET A HE2 6 ATOM 3430 H HE3 . MET A 1 11 ? -1.274 10.919 -6.749 1.00 0.00 ? 11 MET A HE3 6 ATOM 3431 N N . CYS A 1 12 ? -0.380 12.266 -12.746 1.00 0.00 ? 12 CYS A N 6 ATOM 3432 C CA . CYS A 1 12 ? -0.313 12.729 -14.127 1.00 0.00 ? 12 CYS A CA 6 ATOM 3433 C C . CYS A 1 12 ? -1.712 12.934 -14.701 1.00 0.00 ? 12 CYS A C 6 ATOM 3434 O O . CYS A 1 12 ? -2.687 12.376 -14.201 1.00 0.00 ? 12 CYS A O 6 ATOM 3435 C CB . CYS A 1 12 ? 0.461 11.726 -14.986 1.00 0.00 ? 12 CYS A CB 6 ATOM 3436 S SG . CYS A 1 12 ? -0.439 10.176 -15.311 1.00 0.00 ? 12 CYS A SG 6 ATOM 3437 H H . CYS A 1 12 ? 0.107 11.454 -12.490 1.00 0.00 ? 12 CYS A H 6 ATOM 3438 H HA . CYS A 1 12 ? 0.209 13.674 -14.135 1.00 0.00 ? 12 CYS A HA 6 ATOM 3439 H HB2 . CYS A 1 12 ? 0.687 12.180 -15.940 1.00 0.00 ? 12 CYS A HB2 6 ATOM 3440 H HB3 . CYS A 1 12 ? 1.384 11.473 -14.486 1.00 0.00 ? 12 CYS A HB3 6 ATOM 3441 N N . GLY A 1 13 ? -1.801 13.739 -15.755 1.00 0.00 ? 13 GLY A N 6 ATOM 3442 C CA . GLY A 1 13 ? -3.083 14.004 -16.380 1.00 0.00 ? 13 GLY A CA 6 ATOM 3443 C C . GLY A 1 13 ? -3.698 15.308 -15.912 1.00 0.00 ? 13 GLY A C 6 ATOM 3444 O O . GLY A 1 13 ? -4.365 16.000 -16.681 1.00 0.00 ? 13 GLY A O 6 ATOM 3445 H H . GLY A 1 13 ? -0.989 14.157 -16.112 1.00 0.00 ? 13 GLY A H 6 ATOM 3446 H HA2 . GLY A 1 13 ? -2.948 14.046 -17.451 1.00 0.00 ? 13 GLY A HA2 6 ATOM 3447 H HA3 . GLY A 1 13 ? -3.760 13.196 -16.144 1.00 0.00 ? 13 GLY A HA3 6 ATOM 3448 N N . ALA A 1 14 ? -3.475 15.645 -14.646 1.00 0.00 ? 14 ALA A N 6 ATOM 3449 C CA . ALA A 1 14 ? -4.012 16.874 -14.076 1.00 0.00 ? 14 ALA A CA 6 ATOM 3450 C C . ALA A 1 14 ? -2.965 17.983 -14.078 1.00 0.00 ? 14 ALA A C 6 ATOM 3451 O O . ALA A 1 14 ? -3.037 18.919 -13.283 1.00 0.00 ? 14 ALA A O 6 ATOM 3452 C CB . ALA A 1 14 ? -4.517 16.625 -12.662 1.00 0.00 ? 14 ALA A CB 6 ATOM 3453 H H . ALA A 1 14 ? -2.936 15.052 -14.082 1.00 0.00 ? 14 ALA A H 6 ATOM 3454 H HA . ALA A 1 14 ? -4.851 17.184 -14.682 1.00 0.00 ? 14 ALA A HA 6 ATOM 3455 H HB1 . ALA A 1 14 ? -5.341 15.927 -12.694 1.00 0.00 ? 14 ALA A HB1 6 ATOM 3456 H HB2 . ALA A 1 14 ? -3.719 16.214 -12.063 1.00 0.00 ? 14 ALA A HB2 6 ATOM 3457 H HB3 . ALA A 1 14 ? -4.850 17.556 -12.230 1.00 0.00 ? 14 ALA A HB3 6 ATOM 3458 N N . GLY A 1 15 ? -1.991 17.870 -14.976 1.00 0.00 ? 15 GLY A N 6 ATOM 3459 C CA . GLY A 1 15 ? -0.943 18.869 -15.063 1.00 0.00 ? 15 GLY A CA 6 ATOM 3460 C C . GLY A 1 15 ? 0.347 18.415 -14.409 1.00 0.00 ? 15 GLY A C 6 ATOM 3461 O O . GLY A 1 15 ? 1.414 18.969 -14.675 1.00 0.00 ? 15 GLY A O 6 ATOM 3462 H H . GLY A 1 15 ? -1.985 17.101 -15.585 1.00 0.00 ? 15 GLY A H 6 ATOM 3463 H HA2 . GLY A 1 15 ? -0.751 19.084 -16.104 1.00 0.00 ? 15 GLY A HA2 6 ATOM 3464 H HA3 . GLY A 1 15 ? -1.281 19.772 -14.577 1.00 0.00 ? 15 GLY A HA3 6 ATOM 3465 N N . TYR A 1 16 ? 0.250 17.406 -13.551 1.00 0.00 ? 16 TYR A N 6 ATOM 3466 C CA . TYR A 1 16 ? 1.417 16.880 -12.854 1.00 0.00 ? 16 TYR A CA 6 ATOM 3467 C C . TYR A 1 16 ? 2.527 16.526 -13.840 1.00 0.00 ? 16 TYR A C 6 ATOM 3468 O O . TYR A 1 16 ? 3.711 16.587 -13.507 1.00 0.00 ? 16 TYR A O 6 ATOM 3469 C CB . TYR A 1 16 ? 1.035 15.646 -12.035 1.00 0.00 ? 16 TYR A CB 6 ATOM 3470 C CG . TYR A 1 16 ? 0.706 15.955 -10.592 1.00 0.00 ? 16 TYR A CG 6 ATOM 3471 C CD1 . TYR A 1 16 ? -0.477 16.599 -10.251 1.00 0.00 ? 16 TYR A CD1 6 ATOM 3472 C CD2 . TYR A 1 16 ? 1.578 15.603 -9.569 1.00 0.00 ? 16 TYR A CD2 6 ATOM 3473 C CE1 . TYR A 1 16 ? -0.782 16.884 -8.934 1.00 0.00 ? 16 TYR A CE1 6 ATOM 3474 C CE2 . TYR A 1 16 ? 1.281 15.883 -8.249 1.00 0.00 ? 16 TYR A CE2 6 ATOM 3475 C CZ . TYR A 1 16 ? 0.100 16.524 -7.937 1.00 0.00 ? 16 TYR A CZ 6 ATOM 3476 O OH . TYR A 1 16 ? -0.200 16.805 -6.624 1.00 0.00 ? 16 TYR A OH 6 ATOM 3477 H H . TYR A 1 16 ? -0.628 17.005 -13.381 1.00 0.00 ? 16 TYR A H 6 ATOM 3478 H HA . TYR A 1 16 ? 1.777 17.647 -12.184 1.00 0.00 ? 16 TYR A HA 6 ATOM 3479 H HB2 . TYR A 1 16 ? 0.169 15.181 -12.479 1.00 0.00 ? 16 TYR A HB2 6 ATOM 3480 H HB3 . TYR A 1 16 ? 1.859 14.947 -12.045 1.00 0.00 ? 16 TYR A HB3 6 ATOM 3481 H HD1 . TYR A 1 16 ? -1.166 16.880 -11.035 1.00 0.00 ? 16 TYR A HD1 6 ATOM 3482 H HD2 . TYR A 1 16 ? 2.502 15.101 -9.817 1.00 0.00 ? 16 TYR A HD2 6 ATOM 3483 H HE1 . TYR A 1 16 ? -1.706 17.386 -8.690 1.00 0.00 ? 16 TYR A HE1 6 ATOM 3484 H HE2 . TYR A 1 16 ? 1.971 15.601 -7.468 1.00 0.00 ? 16 TYR A HE2 6 ATOM 3485 H HH . TYR A 1 16 ? 0.292 17.580 -6.342 1.00 0.00 ? 16 TYR A HH 6 ATOM 3486 N N . ASP A 1 17 ? 2.135 16.158 -15.054 1.00 0.00 ? 17 ASP A N 6 ATOM 3487 C CA . ASP A 1 17 ? 3.095 15.796 -16.091 1.00 0.00 ? 17 ASP A CA 6 ATOM 3488 C C . ASP A 1 17 ? 2.874 16.627 -17.350 1.00 0.00 ? 17 ASP A C 6 ATOM 3489 O O . ASP A 1 17 ? 2.049 17.541 -17.366 1.00 0.00 ? 17 ASP A O 6 ATOM 3490 C CB . ASP A 1 17 ? 2.983 14.307 -16.422 1.00 0.00 ? 17 ASP A CB 6 ATOM 3491 C CG . ASP A 1 17 ? 3.325 13.423 -15.238 1.00 0.00 ? 17 ASP A CG 6 ATOM 3492 O OD1 . ASP A 1 17 ? 2.642 13.533 -14.198 1.00 0.00 ? 17 ASP A OD1 6 ATOM 3493 O OD2 . ASP A 1 17 ? 4.274 12.621 -15.352 1.00 0.00 ? 17 ASP A OD2 6 ATOM 3494 H H . ASP A 1 17 ? 1.177 16.129 -15.259 1.00 0.00 ? 17 ASP A H 6 ATOM 3495 H HA . ASP A 1 17 ? 4.085 15.997 -15.710 1.00 0.00 ? 17 ASP A HA 6 ATOM 3496 H HB2 . ASP A 1 17 ? 1.971 14.088 -16.730 1.00 0.00 ? 17 ASP A HB2 6 ATOM 3497 H HB3 . ASP A 1 17 ? 3.660 14.072 -17.230 1.00 0.00 ? 17 ASP A HB3 6 ATOM 3498 N N . SER A 1 18 ? 3.618 16.306 -18.403 1.00 0.00 ? 18 SER A N 6 ATOM 3499 C CA . SER A 1 18 ? 3.508 17.026 -19.666 1.00 0.00 ? 18 SER A CA 6 ATOM 3500 C C . SER A 1 18 ? 2.363 16.472 -20.510 1.00 0.00 ? 18 SER A C 6 ATOM 3501 O O . SER A 1 18 ? 2.656 15.505 -21.211 1.00 0.00 ? 18 SER A O 6 ATOM 3502 C CB . SER A 1 18 ? 4.821 16.936 -20.446 1.00 0.00 ? 18 SER A CB 6 ATOM 3503 O OG . SER A 1 18 ? 5.691 18.002 -20.105 1.00 0.00 ? 18 SER A OG 6 ATOM 3504 H H . SER A 1 18 ? 4.259 15.567 -18.328 1.00 0.00 ? 18 SER A H 6 ATOM 3505 H HA . SER A 1 18 ? 3.304 18.062 -19.440 1.00 0.00 ? 18 SER A HA 6 ATOM 3506 H HB2 . SER A 1 18 ? 5.309 16.002 -20.217 1.00 0.00 ? 18 SER A HB2 6 ATOM 3507 H HB3 . SER A 1 18 ? 4.612 16.983 -21.505 1.00 0.00 ? 18 SER A HB3 6 ATOM 3508 N N . GLY A 1 19 ? 1.227 16.512 -19.795 1.00 0.00 ? 19 GLY A N 6 ATOM 3509 C CA . GLY A 1 19 ? 0.268 15.424 -19.850 1.00 0.00 ? 19 GLY A CA 6 ATOM 3510 C C . GLY A 1 19 ? 0.874 14.145 -20.393 1.00 0.00 ? 19 GLY A C 6 ATOM 3511 O O . GLY A 1 19 ? 0.665 13.793 -21.555 1.00 0.00 ? 19 GLY A O 6 ATOM 3512 H H . GLY A 1 19 ? 1.042 17.297 -19.238 1.00 0.00 ? 19 GLY A H 6 ATOM 3513 H HA2 . GLY A 1 19 ? -0.107 15.238 -18.855 1.00 0.00 ? 19 GLY A HA2 6 ATOM 3514 H HA3 . GLY A 1 19 ? -0.554 15.716 -20.486 1.00 0.00 ? 19 GLY A HA3 6 ATOM 3515 N N . THR A 1 20 ? 1.629 13.445 -19.551 1.00 0.00 ? 20 THR A N 6 ATOM 3516 C CA . THR A 1 20 ? 2.270 12.200 -19.953 1.00 0.00 ? 20 THR A CA 6 ATOM 3517 C C . THR A 1 20 ? 2.469 11.274 -18.759 1.00 0.00 ? 20 THR A C 6 ATOM 3518 O O . THR A 1 20 ? 2.853 11.715 -17.675 1.00 0.00 ? 20 THR A O 6 ATOM 3519 C CB . THR A 1 20 ? 3.634 12.459 -20.620 1.00 0.00 ? 20 THR A CB 6 ATOM 3520 O OG1 . THR A 1 20 ? 4.096 11.269 -21.269 1.00 0.00 ? 20 THR A OG1 6 ATOM 3521 C CG2 . THR A 1 20 ? 4.660 12.915 -19.594 1.00 0.00 ? 20 THR A CG2 6 ATOM 3522 H H . THR A 1 20 ? 1.758 13.777 -18.638 1.00 0.00 ? 20 THR A H 6 ATOM 3523 H HA . THR A 1 20 ? 1.628 11.711 -20.672 1.00 0.00 ? 20 THR A HA 6 ATOM 3524 H HB . THR A 1 20 ? 3.513 13.239 -21.359 1.00 0.00 ? 20 THR A HB 6 ATOM 3525 H HG1 . THR A 1 20 ? 4.718 11.503 -21.962 1.00 0.00 ? 20 THR A HG1 6 ATOM 3526 H HG21 . THR A 1 20 ? 5.592 13.135 -20.092 1.00 0.00 ? 20 THR A HG21 6 ATOM 3527 H HG22 . THR A 1 20 ? 4.817 12.131 -18.869 1.00 0.00 ? 20 THR A HG22 6 ATOM 3528 H HG23 . THR A 1 20 ? 4.300 13.802 -19.095 1.00 0.00 ? 20 THR A HG23 6 ATOM 3529 N N . CYS A 1 21 ? 2.207 9.987 -18.963 1.00 0.00 ? 21 CYS A N 6 ATOM 3530 C CA . CYS A 1 21 ? 2.358 8.997 -17.904 1.00 0.00 ? 21 CYS A CA 6 ATOM 3531 C C . CYS A 1 21 ? 3.262 7.853 -18.353 1.00 0.00 ? 21 CYS A C 6 ATOM 3532 O O . CYS A 1 21 ? 3.816 7.880 -19.452 1.00 0.00 ? 21 CYS A O 6 ATOM 3533 C CB . CYS A 1 21 ? 0.990 8.450 -17.490 1.00 0.00 ? 21 CYS A CB 6 ATOM 3534 S SG . CYS A 1 21 ? -0.280 9.732 -17.243 1.00 0.00 ? 21 CYS A SG 6 ATOM 3535 H H . CYS A 1 21 ? 1.904 9.695 -19.850 1.00 0.00 ? 21 CYS A H 6 ATOM 3536 H HA . CYS A 1 21 ? 2.811 9.486 -17.055 1.00 0.00 ? 21 CYS A HA 6 ATOM 3537 H HB2 . CYS A 1 21 ? 0.633 7.778 -18.258 1.00 0.00 ? 21 CYS A HB2 6 ATOM 3538 H HB3 . CYS A 1 21 ? 1.094 7.906 -16.563 1.00 0.00 ? 21 CYS A HB3 6 ATOM 3539 N N . ASP A 1 22 ? 3.405 6.849 -17.495 1.00 0.00 ? 22 ASP A N 6 ATOM 3540 C CA . ASP A 1 22 ? 4.240 5.694 -17.803 1.00 0.00 ? 22 ASP A CA 6 ATOM 3541 C C . ASP A 1 22 ? 3.800 4.474 -16.999 1.00 0.00 ? 22 ASP A C 6 ATOM 3542 O O . ASP A 1 22 ? 3.169 3.561 -17.532 1.00 0.00 ? 22 ASP A O 6 ATOM 3543 C CB . ASP A 1 22 ? 5.709 6.008 -17.514 1.00 0.00 ? 22 ASP A CB 6 ATOM 3544 C CG . ASP A 1 22 ? 6.529 6.160 -18.780 1.00 0.00 ? 22 ASP A CG 6 ATOM 3545 O OD1 . ASP A 1 22 ? 6.339 5.349 -19.710 1.00 0.00 ? 22 ASP A OD1 6 ATOM 3546 O OD2 . ASP A 1 22 ? 7.361 7.089 -18.840 1.00 0.00 ? 22 ASP A OD2 6 ATOM 3547 H H . ASP A 1 22 ? 2.937 6.885 -16.634 1.00 0.00 ? 22 ASP A H 6 ATOM 3548 H HA . ASP A 1 22 ? 4.129 5.475 -18.854 1.00 0.00 ? 22 ASP A HA 6 ATOM 3549 H HB2 . ASP A 1 22 ? 5.770 6.930 -16.955 1.00 0.00 ? 22 ASP A HB2 6 ATOM 3550 H HB3 . ASP A 1 22 ? 6.132 5.207 -16.926 1.00 0.00 ? 22 ASP A HB3 6 ATOM 3551 N N . TYR A 1 23 ? 4.137 4.466 -15.714 1.00 0.00 ? 23 TYR A N 6 ATOM 3552 C CA . TYR A 1 23 ? 3.780 3.358 -14.837 1.00 0.00 ? 23 TYR A CA 6 ATOM 3553 C C . TYR A 1 23 ? 2.266 3.249 -14.687 1.00 0.00 ? 23 TYR A C 6 ATOM 3554 O O . TYR A 1 23 ? 1.735 2.176 -14.398 1.00 0.00 ? 23 TYR A O 6 ATOM 3555 C CB . TYR A 1 23 ? 4.429 3.537 -13.464 1.00 0.00 ? 23 TYR A CB 6 ATOM 3556 C CG . TYR A 1 23 ? 5.882 3.950 -13.529 1.00 0.00 ? 23 TYR A CG 6 ATOM 3557 C CD1 . TYR A 1 23 ? 6.810 3.187 -14.227 1.00 0.00 ? 23 TYR A CD1 6 ATOM 3558 C CD2 . TYR A 1 23 ? 6.327 5.102 -12.893 1.00 0.00 ? 23 TYR A CD2 6 ATOM 3559 C CE1 . TYR A 1 23 ? 8.139 3.560 -14.289 1.00 0.00 ? 23 TYR A CE1 6 ATOM 3560 C CE2 . TYR A 1 23 ? 7.653 5.483 -12.952 1.00 0.00 ? 23 TYR A CE2 6 ATOM 3561 C CZ . TYR A 1 23 ? 8.555 4.709 -13.651 1.00 0.00 ? 23 TYR A CZ 6 ATOM 3562 O OH . TYR A 1 23 ? 9.878 5.085 -13.710 1.00 0.00 ? 23 TYR A OH 6 ATOM 3563 H H . TYR A 1 23 ? 4.640 5.223 -15.347 1.00 0.00 ? 23 TYR A H 6 ATOM 3564 H HA . TYR A 1 23 ? 4.152 2.448 -15.284 1.00 0.00 ? 23 TYR A HA 6 ATOM 3565 H HB2 . TYR A 1 23 ? 3.893 4.298 -12.916 1.00 0.00 ? 23 TYR A HB2 6 ATOM 3566 H HB3 . TYR A 1 23 ? 4.373 2.604 -12.922 1.00 0.00 ? 23 TYR A HB3 6 ATOM 3567 H HD1 . TYR A 1 23 ? 6.481 2.287 -14.727 1.00 0.00 ? 23 TYR A HD1 6 ATOM 3568 H HD2 . TYR A 1 23 ? 5.617 5.706 -12.346 1.00 0.00 ? 23 TYR A HD2 6 ATOM 3569 H HE1 . TYR A 1 23 ? 8.846 2.954 -14.837 1.00 0.00 ? 23 TYR A HE1 6 ATOM 3570 H HE2 . TYR A 1 23 ? 7.979 6.383 -12.451 1.00 0.00 ? 23 TYR A HE2 6 ATOM 3571 H HH . TYR A 1 23 ? 9.958 6.011 -13.470 1.00 0.00 ? 23 TYR A HH 6 ATOM 3572 N N . MET A 1 24 ? 1.576 4.367 -14.885 1.00 0.00 ? 24 MET A N 6 ATOM 3573 C CA . MET A 1 24 ? 0.122 4.398 -14.773 1.00 0.00 ? 24 MET A CA 6 ATOM 3574 C C . MET A 1 24 ? -0.523 3.498 -15.822 1.00 0.00 ? 24 MET A C 6 ATOM 3575 O O . MET A 1 24 ? -1.460 2.756 -15.526 1.00 0.00 ? 24 MET A O 6 ATOM 3576 C CB . MET A 1 24 ? -0.392 5.831 -14.927 1.00 0.00 ? 24 MET A CB 6 ATOM 3577 C CG . MET A 1 24 ? -0.105 6.713 -13.723 1.00 0.00 ? 24 MET A CG 6 ATOM 3578 S SD . MET A 1 24 ? 1.497 7.534 -13.830 1.00 0.00 ? 24 MET A SD 6 ATOM 3579 C CE . MET A 1 24 ? 2.489 6.478 -12.777 1.00 0.00 ? 24 MET A CE 6 ATOM 3580 H H . MET A 1 24 ? 2.055 5.192 -15.112 1.00 0.00 ? 24 MET A H 6 ATOM 3581 H HA . MET A 1 24 ? -0.142 4.034 -13.792 1.00 0.00 ? 24 MET A HA 6 ATOM 3582 H HB2 . MET A 1 24 ? 0.074 6.277 -15.793 1.00 0.00 ? 24 MET A HB2 6 ATOM 3583 H HB3 . MET A 1 24 ? -1.461 5.803 -15.079 1.00 0.00 ? 24 MET A HB3 6 ATOM 3584 H HG2 . MET A 1 24 ? -0.875 7.466 -13.653 1.00 0.00 ? 24 MET A HG2 6 ATOM 3585 H HG3 . MET A 1 24 ? -0.122 6.100 -12.834 1.00 0.00 ? 24 MET A HG3 6 ATOM 3586 H HE1 . MET A 1 24 ? 2.049 5.492 -12.739 1.00 0.00 ? 24 MET A HE1 6 ATOM 3587 H HE2 . MET A 1 24 ? 3.490 6.410 -13.177 1.00 0.00 ? 24 MET A HE2 6 ATOM 3588 H HE3 . MET A 1 24 ? 2.527 6.896 -11.782 1.00 0.00 ? 24 MET A HE3 6 ATOM 3589 N N . TYR A 1 25 ? -0.016 3.569 -17.048 1.00 0.00 ? 25 TYR A N 6 ATOM 3590 C CA . TYR A 1 25 ? -0.545 2.762 -18.141 1.00 0.00 ? 25 TYR A CA 6 ATOM 3591 C C . TYR A 1 25 ? -0.265 1.280 -17.910 1.00 0.00 ? 25 TYR A C 6 ATOM 3592 O O . TYR A 1 25 ? -0.789 0.420 -18.618 1.00 0.00 ? 25 TYR A O 6 ATOM 3593 C CB . TYR A 1 25 ? 0.065 3.206 -19.472 1.00 0.00 ? 25 TYR A CB 6 ATOM 3594 C CG . TYR A 1 25 ? -0.565 4.458 -20.039 1.00 0.00 ? 25 TYR A CG 6 ATOM 3595 C CD1 . TYR A 1 25 ? -0.609 5.633 -19.300 1.00 0.00 ? 25 TYR A CD1 6 ATOM 3596 C CD2 . TYR A 1 25 ? -1.117 4.465 -21.314 1.00 0.00 ? 25 TYR A CD2 6 ATOM 3597 C CE1 . TYR A 1 25 ? -1.184 6.779 -19.814 1.00 0.00 ? 25 TYR A CE1 6 ATOM 3598 C CE2 . TYR A 1 25 ? -1.693 5.606 -21.837 1.00 0.00 ? 25 TYR A CE2 6 ATOM 3599 C CZ . TYR A 1 25 ? -1.725 6.761 -21.083 1.00 0.00 ? 25 TYR A CZ 6 ATOM 3600 O OH . TYR A 1 25 ? -2.299 7.900 -21.600 1.00 0.00 ? 25 TYR A OH 6 ATOM 3601 H H . TYR A 1 25 ? 0.730 4.179 -17.222 1.00 0.00 ? 25 TYR A H 6 ATOM 3602 H HA . TYR A 1 25 ? -1.614 2.914 -18.178 1.00 0.00 ? 25 TYR A HA 6 ATOM 3603 H HB2 . TYR A 1 25 ? 1.117 3.400 -19.331 1.00 0.00 ? 25 TYR A HB2 6 ATOM 3604 H HB3 . TYR A 1 25 ? -0.056 2.415 -20.197 1.00 0.00 ? 25 TYR A HB3 6 ATOM 3605 H HD1 . TYR A 1 25 ? -0.185 5.645 -18.306 1.00 0.00 ? 25 TYR A HD1 6 ATOM 3606 H HD2 . TYR A 1 25 ? -1.092 3.558 -21.902 1.00 0.00 ? 25 TYR A HD2 6 ATOM 3607 H HE1 . TYR A 1 25 ? -1.209 7.684 -19.224 1.00 0.00 ? 25 TYR A HE1 6 ATOM 3608 H HE2 . TYR A 1 25 ? -2.117 5.592 -22.830 1.00 0.00 ? 25 TYR A HE2 6 ATOM 3609 H HH . TYR A 1 25 ? -2.002 8.026 -22.504 1.00 0.00 ? 25 TYR A HH 6 ATOM 3610 N N . SER A 1 26 ? 0.564 0.990 -16.912 1.00 0.00 ? 26 SER A N 6 ATOM 3611 C CA . SER A 1 26 ? 0.917 -0.387 -16.588 1.00 0.00 ? 26 SER A CA 6 ATOM 3612 C C . SER A 1 26 ? -0.112 -1.004 -15.645 1.00 0.00 ? 26 SER A C 6 ATOM 3613 O O . SER A 1 26 ? 0.207 -1.891 -14.853 1.00 0.00 ? 26 SER A O 6 ATOM 3614 C CB . SER A 1 26 ? 2.307 -0.443 -15.951 1.00 0.00 ? 26 SER A CB 6 ATOM 3615 O OG . SER A 1 26 ? 2.791 -1.774 -15.901 1.00 0.00 ? 26 SER A OG 6 ATOM 3616 H H . SER A 1 26 ? 0.949 1.720 -16.384 1.00 0.00 ? 26 SER A H 6 ATOM 3617 H HA . SER A 1 26 ? 0.929 -0.952 -17.508 1.00 0.00 ? 26 SER A HA 6 ATOM 3618 H HB2 . SER A 1 26 ? 2.991 0.154 -16.534 1.00 0.00 ? 26 SER A HB2 6 ATOM 3619 H HB3 . SER A 1 26 ? 2.254 -0.053 -14.945 1.00 0.00 ? 26 SER A HB3 6 ATOM 3620 H HG . SER A 1 26 ? 2.249 -2.289 -15.299 1.00 0.00 ? 26 SER A HG 6 ATOM 3621 N N . HIS A 1 27 ? -1.350 -0.528 -15.737 1.00 0.00 ? 27 HIS A N 6 ATOM 3622 C CA . HIS A 1 27 ? -2.428 -1.032 -14.893 1.00 0.00 ? 27 HIS A CA 6 ATOM 3623 C C . HIS A 1 27 ? -2.061 -0.918 -13.417 1.00 0.00 ? 27 HIS A C 6 ATOM 3624 O O . HIS A 1 27 ? -2.143 -1.892 -12.669 1.00 0.00 ? 27 HIS A O 6 ATOM 3625 C CB . HIS A 1 27 ? -2.739 -2.488 -15.242 1.00 0.00 ? 27 HIS A CB 6 ATOM 3626 C CG . HIS A 1 27 ? -4.118 -2.917 -14.849 1.00 0.00 ? 27 HIS A CG 6 ATOM 3627 N ND1 . HIS A 1 27 ? -4.398 -3.553 -13.658 1.00 0.00 ? 27 HIS A ND1 6 ATOM 3628 C CD2 . HIS A 1 27 ? -5.301 -2.796 -15.495 1.00 0.00 ? 27 HIS A CD2 6 ATOM 3629 C CE1 . HIS A 1 27 ? -5.692 -3.807 -13.590 1.00 0.00 ? 27 HIS A CE1 6 ATOM 3630 N NE2 . HIS A 1 27 ? -6.264 -3.357 -14.692 1.00 0.00 ? 27 HIS A NE2 6 ATOM 3631 H H . HIS A 1 27 ? -1.543 0.179 -16.388 1.00 0.00 ? 27 HIS A H 6 ATOM 3632 H HA . HIS A 1 27 ? -3.305 -0.431 -15.081 1.00 0.00 ? 27 HIS A HA 6 ATOM 3633 H HB2 . HIS A 1 27 ? -2.641 -2.624 -16.309 1.00 0.00 ? 27 HIS A HB2 6 ATOM 3634 H HB3 . HIS A 1 27 ? -2.033 -3.131 -14.736 1.00 0.00 ? 27 HIS A HB3 6 ATOM 3635 H HD1 . HIS A 1 27 ? -3.744 -3.786 -12.966 1.00 0.00 ? 27 HIS A HD1 6 ATOM 3636 H HD2 . HIS A 1 27 ? -5.460 -2.343 -16.464 1.00 0.00 ? 27 HIS A HD2 6 ATOM 3637 H HE1 . HIS A 1 27 ? -6.198 -4.298 -12.772 1.00 0.00 ? 27 HIS A HE1 6 ATOM 3638 N N . CYS A 1 28 ? -1.654 0.278 -13.004 1.00 0.00 ? 28 CYS A N 6 ATOM 3639 C CA . CYS A 1 28 ? -1.273 0.520 -11.618 1.00 0.00 ? 28 CYS A CA 6 ATOM 3640 C C . CYS A 1 28 ? -2.206 1.537 -10.967 1.00 0.00 ? 28 CYS A C 6 ATOM 3641 O O . CYS A 1 28 ? -2.264 1.648 -9.742 1.00 0.00 ? 28 CYS A O 6 ATOM 3642 C CB . CYS A 1 28 ? 0.172 1.017 -11.544 1.00 0.00 ? 28 CYS A CB 6 ATOM 3643 S SG . CYS A 1 28 ? 1.092 0.416 -10.091 1.00 0.00 ? 28 CYS A SG 6 ATOM 3644 H H . CYS A 1 28 ? -1.609 1.017 -13.648 1.00 0.00 ? 28 CYS A H 6 ATOM 3645 H HA . CYS A 1 28 ? -1.350 -0.414 -11.084 1.00 0.00 ? 28 CYS A HA 6 ATOM 3646 H HB2 . CYS A 1 28 ? 0.703 0.690 -12.427 1.00 0.00 ? 28 CYS A HB2 6 ATOM 3647 H HB3 . CYS A 1 28 ? 0.172 2.097 -11.510 1.00 0.00 ? 28 CYS A HB3 6 ATOM 3648 N N . PHE A 1 29 ? -2.935 2.277 -11.795 1.00 0.00 ? 29 PHE A N 6 ATOM 3649 C CA . PHE A 1 29 ? -3.866 3.286 -11.301 1.00 0.00 ? 29 PHE A CA 6 ATOM 3650 C C . PHE A 1 29 ? -5.297 2.954 -11.713 1.00 0.00 ? 29 PHE A C 6 ATOM 3651 O O . PHE A 1 29 ? -6.255 3.374 -11.065 1.00 0.00 ? 29 PHE A O 6 ATOM 3652 C CB . PHE A 1 29 ? -3.479 4.669 -11.828 1.00 0.00 ? 29 PHE A CB 6 ATOM 3653 C CG . PHE A 1 29 ? -2.329 5.292 -11.089 1.00 0.00 ? 29 PHE A CG 6 ATOM 3654 C CD1 . PHE A 1 29 ? -1.114 4.633 -10.989 1.00 0.00 ? 29 PHE A CD1 6 ATOM 3655 C CD2 . PHE A 1 29 ? -2.462 6.537 -10.496 1.00 0.00 ? 29 PHE A CD2 6 ATOM 3656 C CE1 . PHE A 1 29 ? -0.055 5.203 -10.309 1.00 0.00 ? 29 PHE A CE1 6 ATOM 3657 C CE2 . PHE A 1 29 ? -1.406 7.113 -9.815 1.00 0.00 ? 29 PHE A CE2 6 ATOM 3658 C CZ . PHE A 1 29 ? -0.201 6.445 -9.722 1.00 0.00 ? 29 PHE A CZ 6 ATOM 3659 H H . PHE A 1 29 ? -2.845 2.143 -12.762 1.00 0.00 ? 29 PHE A H 6 ATOM 3660 H HA . PHE A 1 29 ? -3.806 3.291 -10.224 1.00 0.00 ? 29 PHE A HA 6 ATOM 3661 H HB2 . PHE A 1 29 ? -3.199 4.585 -12.867 1.00 0.00 ? 29 PHE A HB2 6 ATOM 3662 H HB3 . PHE A 1 29 ? -4.328 5.330 -11.741 1.00 0.00 ? 29 PHE A HB3 6 ATOM 3663 H HD1 . PHE A 1 29 ? -0.999 3.662 -11.448 1.00 0.00 ? 29 PHE A HD1 6 ATOM 3664 H HD2 . PHE A 1 29 ? -3.405 7.060 -10.568 1.00 0.00 ? 29 PHE A HD2 6 ATOM 3665 H HE1 . PHE A 1 29 ? 0.886 4.679 -10.238 1.00 0.00 ? 29 PHE A HE1 6 ATOM 3666 H HE2 . PHE A 1 29 ? -1.524 8.084 -9.358 1.00 0.00 ? 29 PHE A HE2 6 ATOM 3667 H HZ . PHE A 1 29 ? 0.625 6.893 -9.190 1.00 0.00 ? 29 PHE A HZ 6 ATOM 3668 N N . GLY A 1 30 ? -5.434 2.197 -12.798 1.00 0.00 ? 30 GLY A N 6 ATOM 3669 C CA . GLY A 1 30 ? -6.750 1.822 -13.280 1.00 0.00 ? 30 GLY A CA 6 ATOM 3670 C C . GLY A 1 30 ? -7.377 2.894 -14.148 1.00 0.00 ? 30 GLY A C 6 ATOM 3671 O O . GLY A 1 30 ? -8.599 3.044 -14.178 1.00 0.00 ? 30 GLY A O 6 ATOM 3672 H H . GLY A 1 30 ? -4.634 1.891 -13.275 1.00 0.00 ? 30 GLY A H 6 ATOM 3673 H HA2 . GLY A 1 30 ? -6.666 0.912 -13.854 1.00 0.00 ? 30 GLY A HA2 6 ATOM 3674 H HA3 . GLY A 1 30 ? -7.393 1.642 -12.431 1.00 0.00 ? 30 GLY A HA3 6 ATOM 3675 N N . VAL A 1 31 ? -6.539 3.645 -14.857 1.00 0.00 ? 31 VAL A N 6 ATOM 3676 C CA . VAL A 1 31 ? -7.018 4.710 -15.730 1.00 0.00 ? 31 VAL A CA 6 ATOM 3677 C C . VAL A 1 31 ? -7.005 4.271 -17.190 1.00 0.00 ? 31 VAL A C 6 ATOM 3678 O O . VAL A 1 31 ? -7.847 4.692 -17.984 1.00 0.00 ? 31 VAL A O 6 ATOM 3679 C CB . VAL A 1 31 ? -6.166 5.984 -15.581 1.00 0.00 ? 31 VAL A CB 6 ATOM 3680 C CG1 . VAL A 1 31 ? -6.385 6.616 -14.215 1.00 0.00 ? 31 VAL A CG1 6 ATOM 3681 C CG2 . VAL A 1 31 ? -4.694 5.669 -15.802 1.00 0.00 ? 31 VAL A CG2 6 ATOM 3682 H H . VAL A 1 31 ? -5.576 3.478 -14.791 1.00 0.00 ? 31 VAL A H 6 ATOM 3683 H HA . VAL A 1 31 ? -8.033 4.945 -15.444 1.00 0.00 ? 31 VAL A HA 6 ATOM 3684 H HB . VAL A 1 31 ? -6.478 6.692 -16.335 1.00 0.00 ? 31 VAL A HB 6 ATOM 3685 H HG11 . VAL A 1 31 ? -7.420 6.910 -14.116 1.00 0.00 ? 31 VAL A HG11 6 ATOM 3686 H HG12 . VAL A 1 31 ? -6.137 5.902 -13.443 1.00 0.00 ? 31 VAL A HG12 6 ATOM 3687 H HG13 . VAL A 1 31 ? -5.753 7.487 -14.116 1.00 0.00 ? 31 VAL A HG13 6 ATOM 3688 H HG21 . VAL A 1 31 ? -4.563 5.225 -16.777 1.00 0.00 ? 31 VAL A HG21 6 ATOM 3689 H HG22 . VAL A 1 31 ? -4.118 6.580 -15.740 1.00 0.00 ? 31 VAL A HG22 6 ATOM 3690 H HG23 . VAL A 1 31 ? -4.356 4.977 -15.043 1.00 0.00 ? 31 VAL A HG23 6 ATOM 3691 N N . LYS A 1 32 ? -6.045 3.422 -17.538 1.00 0.00 ? 32 LYS A N 6 ATOM 3692 C CA . LYS A 1 32 ? -5.922 2.923 -18.903 1.00 0.00 ? 32 LYS A CA 6 ATOM 3693 C C . LYS A 1 32 ? -7.249 2.356 -19.397 1.00 0.00 ? 32 LYS A C 6 ATOM 3694 O O . LYS A 1 32 ? -7.959 1.676 -18.656 1.00 0.00 ? 32 LYS A O 6 ATOM 3695 C CB . LYS A 1 32 ? -4.836 1.847 -18.978 1.00 0.00 ? 32 LYS A CB 6 ATOM 3696 C CG . LYS A 1 32 ? -4.828 1.082 -20.291 1.00 0.00 ? 32 LYS A CG 6 ATOM 3697 C CD . LYS A 1 32 ? -3.449 0.524 -20.602 1.00 0.00 ? 32 LYS A CD 6 ATOM 3698 C CE . LYS A 1 32 ? -2.616 1.512 -21.404 1.00 0.00 ? 32 LYS A CE 6 ATOM 3699 N NZ . LYS A 1 32 ? -1.825 0.835 -22.468 1.00 0.00 ? 32 LYS A NZ 6 ATOM 3700 H H . LYS A 1 32 ? -5.403 3.122 -16.860 1.00 0.00 ? 32 LYS A H 6 ATOM 3701 H HA . LYS A 1 32 ? -5.640 3.751 -19.535 1.00 0.00 ? 32 LYS A HA 6 ATOM 3702 H HB2 . LYS A 1 32 ? -3.872 2.316 -18.852 1.00 0.00 ? 32 LYS A HB2 6 ATOM 3703 H HB3 . LYS A 1 32 ? -4.990 1.140 -18.175 1.00 0.00 ? 32 LYS A HB3 6 ATOM 3704 H HG2 . LYS A 1 32 ? -5.529 0.264 -20.225 1.00 0.00 ? 32 LYS A HG2 6 ATOM 3705 H HG3 . LYS A 1 32 ? -5.124 1.750 -21.087 1.00 0.00 ? 32 LYS A HG3 6 ATOM 3706 H HD2 . LYS A 1 32 ? -2.939 0.310 -19.675 1.00 0.00 ? 32 LYS A HD2 6 ATOM 3707 H HD3 . LYS A 1 32 ? -3.560 -0.387 -21.173 1.00 0.00 ? 32 LYS A HD3 6 ATOM 3708 H HE2 . LYS A 1 32 ? -3.277 2.233 -21.861 1.00 0.00 ? 32 LYS A HE2 6 ATOM 3709 H HE3 . LYS A 1 32 ? -1.939 2.020 -20.732 1.00 0.00 ? 32 LYS A HE3 6 ATOM 3710 H HZ1 . LYS A 1 32 ? -1.291 0.039 -22.066 1.00 0.00 ? 32 LYS A HZ1 6 ATOM 3711 H HZ2 . LYS A 1 32 ? -1.156 1.506 -22.897 1.00 0.00 ? 32 LYS A HZ2 6 ATOM 3712 H HZ3 . LYS A 1 32 ? -2.459 0.474 -23.210 1.00 0.00 ? 32 LYS A HZ3 6 ATOM 3713 N N . HIS A 1 33 ? -7.578 2.640 -20.653 1.00 0.00 ? 33 HIS A N 6 ATOM 3714 C CA . HIS A 1 33 ? -8.819 2.157 -21.247 1.00 0.00 ? 33 HIS A CA 6 ATOM 3715 C C . HIS A 1 33 ? -8.534 1.165 -22.370 1.00 0.00 ? 33 HIS A C 6 ATOM 3716 O O . HIS A 1 33 ? -9.247 0.175 -22.533 1.00 0.00 ? 33 HIS A O 6 ATOM 3717 C CB . HIS A 1 33 ? -9.643 3.329 -21.781 1.00 0.00 ? 33 HIS A CB 6 ATOM 3718 C CG . HIS A 1 33 ? -8.846 4.300 -22.596 1.00 0.00 ? 33 HIS A CG 6 ATOM 3719 N ND1 . HIS A 1 33 ? -8.247 5.420 -22.059 1.00 0.00 ? 33 HIS A ND1 6 ATOM 3720 C CD2 . HIS A 1 33 ? -8.547 4.312 -23.917 1.00 0.00 ? 33 HIS A CD2 6 ATOM 3721 C CE1 . HIS A 1 33 ? -7.617 6.080 -23.014 1.00 0.00 ? 33 HIS A CE1 6 ATOM 3722 N NE2 . HIS A 1 33 ? -7.784 5.429 -24.151 1.00 0.00 ? 33 HIS A NE2 6 ATOM 3723 H H . HIS A 1 33 ? -6.971 3.188 -21.194 1.00 0.00 ? 33 HIS A H 6 ATOM 3724 H HA . HIS A 1 33 ? -9.382 1.655 -20.475 1.00 0.00 ? 33 HIS A HA 6 ATOM 3725 H HB2 . HIS A 1 33 ? -10.437 2.946 -22.406 1.00 0.00 ? 33 HIS A HB2 6 ATOM 3726 H HB3 . HIS A 1 33 ? -10.074 3.867 -20.949 1.00 0.00 ? 33 HIS A HB3 6 ATOM 3727 H HD1 . HIS A 1 33 ? -8.281 5.691 -21.118 1.00 0.00 ? 33 HIS A HD1 6 ATOM 3728 H HD2 . HIS A 1 33 ? -8.854 3.580 -24.651 1.00 0.00 ? 33 HIS A HD2 6 ATOM 3729 H HE1 . HIS A 1 33 ? -7.060 6.997 -22.888 1.00 0.00 ? 33 HIS A HE1 6 ATOM 3730 N N . SER A 1 34 ? -7.488 1.439 -23.144 1.00 0.00 ? 34 SER A N 6 ATOM 3731 C CA . SER A 1 34 ? -7.112 0.573 -24.255 1.00 0.00 ? 34 SER A CA 6 ATOM 3732 C C . SER A 1 34 ? -6.642 -0.787 -23.749 1.00 0.00 ? 34 SER A C 6 ATOM 3733 O O . SER A 1 34 ? -6.205 -0.919 -22.606 1.00 0.00 ? 34 SER A O 6 ATOM 3734 C CB . SER A 1 34 ? -6.010 1.229 -25.089 1.00 0.00 ? 34 SER A CB 6 ATOM 3735 O OG . SER A 1 34 ? -4.822 1.386 -24.332 1.00 0.00 ? 34 SER A OG 6 ATOM 3736 H H . SER A 1 34 ? -6.959 2.244 -22.964 1.00 0.00 ? 34 SER A H 6 ATOM 3737 H HA . SER A 1 34 ? -7.985 0.432 -24.875 1.00 0.00 ? 34 SER A HA 6 ATOM 3738 H HB2 . SER A 1 34 ? -5.796 0.610 -25.948 1.00 0.00 ? 34 SER A HB2 6 ATOM 3739 H HB3 . SER A 1 34 ? -6.343 2.202 -25.420 1.00 0.00 ? 34 SER A HB3 6 ATOM 3740 H HG . SER A 1 34 ? -4.163 0.757 -24.636 1.00 0.00 ? 34 SER A HG 6 ATOM 3741 N N . SER A 1 35 ? -6.735 -1.796 -24.609 1.00 0.00 ? 35 SER A N 6 ATOM 3742 C CA . SER A 1 35 ? -6.323 -3.148 -24.249 1.00 0.00 ? 35 SER A CA 6 ATOM 3743 C C . SER A 1 35 ? -4.899 -3.426 -24.722 1.00 0.00 ? 35 SER A C 6 ATOM 3744 O O . SER A 1 35 ? -4.678 -3.819 -25.866 1.00 0.00 ? 35 SER A O 6 ATOM 3745 C CB . SER A 1 35 ? -7.283 -4.174 -24.855 1.00 0.00 ? 35 SER A CB 6 ATOM 3746 O OG . SER A 1 35 ? -8.621 -3.907 -24.474 1.00 0.00 ? 35 SER A OG 6 ATOM 3747 H H . SER A 1 35 ? -7.092 -1.627 -25.506 1.00 0.00 ? 35 SER A H 6 ATOM 3748 H HA . SER A 1 35 ? -6.355 -3.229 -23.173 1.00 0.00 ? 35 SER A HA 6 ATOM 3749 H HB2 . SER A 1 35 ? -7.213 -4.137 -25.931 1.00 0.00 ? 35 SER A HB2 6 ATOM 3750 H HB3 . SER A 1 35 ? -7.013 -5.162 -24.510 1.00 0.00 ? 35 SER A HB3 6 ATOM 3751 H HG . SER A 1 35 ? -8.764 -2.958 -24.449 1.00 0.00 ? 35 SER A HG 6 ATOM 3752 N N . GLY A 1 36 ? -3.935 -3.217 -23.830 1.00 0.00 ? 36 GLY A N 6 ATOM 3753 C CA . GLY A 1 36 ? -2.544 -3.450 -24.173 1.00 0.00 ? 36 GLY A CA 6 ATOM 3754 C C . GLY A 1 36 ? -1.926 -2.279 -24.910 1.00 0.00 ? 36 GLY A C 6 ATOM 3755 O O . GLY A 1 36 ? -2.516 -1.203 -24.987 1.00 0.00 ? 36 GLY A O 6 ATOM 3756 H H . GLY A 1 36 ? -4.171 -2.903 -22.932 1.00 0.00 ? 36 GLY A H 6 ATOM 3757 H HA2 . GLY A 1 36 ? -1.986 -3.626 -23.266 1.00 0.00 ? 36 GLY A HA2 6 ATOM 3758 H HA3 . GLY A 1 36 ? -2.482 -4.328 -24.799 1.00 0.00 ? 36 GLY A HA3 6 ATOM 3759 N N . GLY A 1 37 ? -0.730 -2.488 -25.453 1.00 0.00 ? 37 GLY A N 6 ATOM 3760 C CA . GLY A 1 37 ? -0.050 -1.432 -26.179 1.00 0.00 ? 37 GLY A CA 6 ATOM 3761 C C . GLY A 1 37 ? 0.872 -1.969 -27.256 1.00 0.00 ? 37 GLY A C 6 ATOM 3762 O O . GLY A 1 37 ? 0.500 -2.030 -28.427 1.00 0.00 ? 37 GLY A O 6 ATOM 3763 H H . GLY A 1 37 ? -0.306 -3.367 -25.359 1.00 0.00 ? 37 GLY A H 6 ATOM 3764 H HA2 . GLY A 1 37 ? -0.788 -0.792 -26.638 1.00 0.00 ? 37 GLY A HA2 6 ATOM 3765 H HA3 . GLY A 1 37 ? 0.533 -0.849 -25.481 1.00 0.00 ? 37 GLY A HA3 6 ATOM 3766 N N . GLY A 1 38 ? 2.079 -2.359 -26.860 1.00 0.00 ? 38 GLY A N 6 ATOM 3767 C CA . GLY A 1 38 ? 3.038 -2.887 -27.813 1.00 0.00 ? 38 GLY A CA 6 ATOM 3768 C C . GLY A 1 38 ? 3.744 -1.794 -28.591 1.00 0.00 ? 38 GLY A C 6 ATOM 3769 O O . GLY A 1 38 ? 3.243 -0.676 -28.699 1.00 0.00 ? 38 GLY A O 6 ATOM 3770 H H . GLY A 1 38 ? 2.321 -2.287 -25.913 1.00 0.00 ? 38 GLY A H 6 ATOM 3771 H HA2 . GLY A 1 38 ? 3.775 -3.469 -27.280 1.00 0.00 ? 38 GLY A HA2 6 ATOM 3772 H HA3 . GLY A 1 38 ? 2.520 -3.530 -28.508 1.00 0.00 ? 38 GLY A HA3 6 ATOM 3773 N N . GLY A 1 39 ? 4.914 -2.117 -29.133 1.00 0.00 ? 39 GLY A N 6 ATOM 3774 C CA . GLY A 1 39 ? 5.673 -1.143 -29.897 1.00 0.00 ? 39 GLY A CA 6 ATOM 3775 C C . GLY A 1 39 ? 6.356 -0.118 -29.013 1.00 0.00 ? 39 GLY A C 6 ATOM 3776 O O . GLY A 1 39 ? 6.235 1.086 -29.239 1.00 0.00 ? 39 GLY A O 6 ATOM 3777 H H . GLY A 1 39 ? 5.266 -3.024 -29.014 1.00 0.00 ? 39 GLY A H 6 ATOM 3778 H HA2 . GLY A 1 39 ? 6.422 -1.661 -30.476 1.00 0.00 ? 39 GLY A HA2 6 ATOM 3779 H HA3 . GLY A 1 39 ? 5.002 -0.630 -30.570 1.00 0.00 ? 39 GLY A HA3 6 ATOM 3780 N N . SER A 1 40 ? 7.074 -0.596 -28.001 1.00 0.00 ? 40 SER A N 6 ATOM 3781 C CA . SER A 1 40 ? 7.774 0.287 -27.077 1.00 0.00 ? 40 SER A CA 6 ATOM 3782 C C . SER A 1 40 ? 9.105 0.746 -27.666 1.00 0.00 ? 40 SER A C 6 ATOM 3783 O O . SER A 1 40 ? 10.084 0.000 -27.670 1.00 0.00 ? 40 SER A O 6 ATOM 3784 C CB . SER A 1 40 ? 8.012 -0.422 -25.742 1.00 0.00 ? 40 SER A CB 6 ATOM 3785 O OG . SER A 1 40 ? 8.225 0.513 -24.698 1.00 0.00 ? 40 SER A OG 6 ATOM 3786 H H . SER A 1 40 ? 7.131 -1.566 -27.873 1.00 0.00 ? 40 SER A H 6 ATOM 3787 H HA . SER A 1 40 ? 7.151 1.153 -26.909 1.00 0.00 ? 40 SER A HA 6 ATOM 3788 H HB2 . SER A 1 40 ? 7.150 -1.024 -25.499 1.00 0.00 ? 40 SER A HB2 6 ATOM 3789 H HB3 . SER A 1 40 ? 8.883 -1.056 -25.824 1.00 0.00 ? 40 SER A HB3 6 ATOM 3790 H HG . SER A 1 40 ? 9.064 0.331 -24.271 1.00 0.00 ? 40 SER A HG 6 ATOM 3791 N N . TYR A 1 41 ? 9.131 1.978 -28.162 1.00 0.00 ? 41 TYR A N 6 ATOM 3792 C CA . TYR A 1 41 ? 10.339 2.536 -28.757 1.00 0.00 ? 41 TYR A CA 6 ATOM 3793 C C . TYR A 1 41 ? 10.234 4.053 -28.882 1.00 0.00 ? 41 TYR A C 6 ATOM 3794 O O . TYR A 1 41 ? 9.138 4.614 -28.872 1.00 0.00 ? 41 TYR A O 6 ATOM 3795 C CB . TYR A 1 41 ? 10.590 1.916 -30.132 1.00 0.00 ? 41 TYR A CB 6 ATOM 3796 C CG . TYR A 1 41 ? 12.052 1.865 -30.516 1.00 0.00 ? 41 TYR A CG 6 ATOM 3797 C CD1 . TYR A 1 41 ? 12.655 2.929 -31.176 1.00 0.00 ? 41 TYR A CD1 6 ATOM 3798 C CD2 . TYR A 1 41 ? 12.829 0.752 -30.221 1.00 0.00 ? 41 TYR A CD2 6 ATOM 3799 C CE1 . TYR A 1 41 ? 13.989 2.886 -31.529 1.00 0.00 ? 41 TYR A CE1 6 ATOM 3800 C CE2 . TYR A 1 41 ? 14.165 0.701 -30.569 1.00 0.00 ? 41 TYR A CE2 6 ATOM 3801 C CZ . TYR A 1 41 ? 14.740 1.771 -31.223 1.00 0.00 ? 41 TYR A CZ 6 ATOM 3802 O OH . TYR A 1 41 ? 16.071 1.724 -31.573 1.00 0.00 ? 41 TYR A OH 6 ATOM 3803 H H . TYR A 1 41 ? 8.318 2.524 -28.130 1.00 0.00 ? 41 TYR A H 6 ATOM 3804 H HA . TYR A 1 41 ? 11.169 2.297 -28.108 1.00 0.00 ? 41 TYR A HA 6 ATOM 3805 H HB2 . TYR A 1 41 ? 10.211 0.906 -30.139 1.00 0.00 ? 41 TYR A HB2 6 ATOM 3806 H HB3 . TYR A 1 41 ? 10.070 2.495 -30.881 1.00 0.00 ? 41 TYR A HB3 6 ATOM 3807 H HD1 . TYR A 1 41 ? 12.064 3.801 -31.414 1.00 0.00 ? 41 TYR A HD1 6 ATOM 3808 H HD2 . TYR A 1 41 ? 12.375 -0.084 -29.709 1.00 0.00 ? 41 TYR A HD2 6 ATOM 3809 H HE1 . TYR A 1 41 ? 14.440 3.724 -32.041 1.00 0.00 ? 41 TYR A HE1 6 ATOM 3810 H HE2 . TYR A 1 41 ? 14.753 -0.172 -30.330 1.00 0.00 ? 41 TYR A HE2 6 ATOM 3811 H HH . TYR A 1 41 ? 16.491 2.555 -31.343 1.00 0.00 ? 41 TYR A HH 6 ATOM 3812 N N . HIS A 1 42 ? 11.382 4.712 -29.001 1.00 0.00 ? 42 HIS A N 6 ATOM 3813 C CA . HIS A 1 42 ? 11.421 6.164 -29.130 1.00 0.00 ? 42 HIS A CA 6 ATOM 3814 C C . HIS A 1 42 ? 11.480 6.578 -30.598 1.00 0.00 ? 42 HIS A C 6 ATOM 3815 O O . HIS A 1 42 ? 12.187 7.519 -30.960 1.00 0.00 ? 42 HIS A O 6 ATOM 3816 C CB . HIS A 1 42 ? 12.625 6.732 -28.379 1.00 0.00 ? 42 HIS A CB 6 ATOM 3817 C CG . HIS A 1 42 ? 12.415 6.833 -26.899 1.00 0.00 ? 42 HIS A CG 6 ATOM 3818 N ND1 . HIS A 1 42 ? 13.411 7.205 -26.021 1.00 0.00 ? 42 HIS A ND1 6 ATOM 3819 C CD2 . HIS A 1 42 ? 11.314 6.609 -26.144 1.00 0.00 ? 42 HIS A CD2 6 ATOM 3820 C CE1 . HIS A 1 42 ? 12.932 7.203 -24.790 1.00 0.00 ? 42 HIS A CE1 6 ATOM 3821 N NE2 . HIS A 1 42 ? 11.662 6.846 -24.837 1.00 0.00 ? 42 HIS A NE2 6 ATOM 3822 H H . HIS A 1 42 ? 12.223 4.209 -29.003 1.00 0.00 ? 42 HIS A H 6 ATOM 3823 H HA . HIS A 1 42 ? 10.516 6.560 -28.694 1.00 0.00 ? 42 HIS A HA 6 ATOM 3824 H HB2 . HIS A 1 42 ? 13.481 6.095 -28.549 1.00 0.00 ? 42 HIS A HB2 6 ATOM 3825 H HB3 . HIS A 1 42 ? 12.840 7.723 -28.752 1.00 0.00 ? 42 HIS A HB3 6 ATOM 3826 H HD1 . HIS A 1 42 ? 14.332 7.434 -26.264 1.00 0.00 ? 42 HIS A HD1 6 ATOM 3827 H HD2 . HIS A 1 42 ? 10.342 6.300 -26.503 1.00 0.00 ? 42 HIS A HD2 6 ATOM 3828 H HE1 . HIS A 1 42 ? 13.485 7.453 -23.897 1.00 0.00 ? 42 HIS A HE1 6 ATOM 3829 N N . CYS A 1 43 ? 10.734 5.869 -31.438 1.00 0.00 ? 43 CYS A N 6 ATOM 3830 C CA . CYS A 1 43 ? 10.703 6.161 -32.866 1.00 0.00 ? 43 CYS A CA 6 ATOM 3831 C C . CYS A 1 43 ? 9.712 7.281 -33.170 1.00 0.00 ? 43 CYS A C 6 ATOM 3832 O O . CYS A 1 43 ? 9.977 8.097 -34.052 1.00 0.00 ? 43 CYS A O 6 ATOM 3833 C CB . CYS A 1 43 ? 10.329 4.905 -33.656 1.00 0.00 ? 43 CYS A CB 6 ATOM 3834 S SG . CYS A 1 43 ? 10.843 4.945 -35.403 1.00 0.00 ? 43 CYS A SG 6 ATOM 3835 H H . CYS A 1 43 ? 10.192 5.130 -31.089 1.00 0.00 ? 43 CYS A H 6 ATOM 3836 H HA . CYS A 1 43 ? 11.690 6.480 -33.162 1.00 0.00 ? 43 CYS A HA 6 ATOM 3837 H HB2 . CYS A 1 43 ? 10.797 4.047 -33.196 1.00 0.00 ? 43 CYS A HB2 6 ATOM 3838 H HB3 . CYS A 1 43 ? 9.256 4.780 -33.632 1.00 0.00 ? 43 CYS A HB3 6 HETATM 3839 C C1 . NAG B 2 . ? 6.124 19.225 -20.630 1.00 0.00 ? 101 NAG A C1 6 HETATM 3840 C C2 . NAG B 2 . ? 6.512 20.278 -19.591 1.00 0.00 ? 101 NAG A C2 6 HETATM 3841 C C3 . NAG B 2 . ? 6.849 21.590 -20.307 1.00 0.00 ? 101 NAG A C3 6 HETATM 3842 C C4 . NAG B 2 . ? 7.908 21.306 -21.378 1.00 0.00 ? 101 NAG A C4 6 HETATM 3843 C C5 . NAG B 2 . ? 7.413 20.175 -22.282 1.00 0.00 ? 101 NAG A C5 6 HETATM 3844 C C6 . NAG B 2 . ? 8.451 19.907 -23.374 1.00 0.00 ? 101 NAG A C6 6 HETATM 3845 C C7 . NAG B 2 . ? 5.291 19.758 -17.547 1.00 0.00 ? 101 NAG A C7 6 HETATM 3846 C C8 . NAG B 2 . ? 4.141 19.982 -16.601 1.00 0.00 ? 101 NAG A C8 6 HETATM 3847 N N2 . NAG B 2 . ? 5.394 20.496 -18.671 1.00 0.00 ? 101 NAG A N2 6 HETATM 3848 O O3 . NAG B 2 . ? 7.359 22.539 -19.370 1.00 0.00 ? 101 NAG A O3 6 HETATM 3849 O O4 . NAG B 2 . ? 8.129 22.480 -22.160 1.00 0.00 ? 101 NAG A O4 6 HETATM 3850 O O5 . NAG B 2 . ? 7.218 18.991 -21.513 1.00 0.00 ? 101 NAG A O5 6 HETATM 3851 O O6 . NAG B 2 . ? 7.989 18.855 -24.224 1.00 0.00 ? 101 NAG A O6 6 HETATM 3852 O O7 . NAG B 2 . ? 6.125 18.914 -17.298 1.00 0.00 ? 101 NAG A O7 6 HETATM 3853 H H1 . NAG B 2 . ? 5.262 19.588 -21.209 1.00 0.00 ? 101 NAG A H1 6 HETATM 3854 H H2 . NAG B 2 . ? 7.388 19.930 -19.021 1.00 0.00 ? 101 NAG A H2 6 HETATM 3855 H H3 . NAG B 2 . ? 5.942 22.003 -20.772 1.00 0.00 ? 101 NAG A H3 6 HETATM 3856 H H4 . NAG B 2 . ? 8.851 21.011 -20.896 1.00 0.00 ? 101 NAG A H4 6 HETATM 3857 H H5 . NAG B 2 . ? 6.459 20.469 -22.744 1.00 0.00 ? 101 NAG A H5 6 HETATM 3858 H H61 . NAG B 2 . ? 8.624 20.821 -23.964 1.00 0.00 ? 101 NAG A H61 6 HETATM 3859 H H62 . NAG B 2 . ? 9.414 19.630 -22.920 1.00 0.00 ? 101 NAG A H62 6 HETATM 3860 H H81 . NAG B 2 . ? 4.340 20.872 -15.986 1.00 0.00 ? 101 NAG A H81 6 HETATM 3861 H H82 . NAG B 2 . ? 3.216 20.134 -17.176 1.00 0.00 ? 101 NAG A H82 6 HETATM 3862 H H83 . NAG B 2 . ? 4.025 19.104 -15.948 1.00 0.00 ? 101 NAG A H83 6 HETATM 3863 H HN2 . NAG B 2 . ? 4.707 21.192 -18.876 1.00 0.00 ? 101 NAG A HN2 6 HETATM 3864 H HO3 . NAG B 2 . ? 7.579 23.392 -19.844 1.00 0.00 ? 101 NAG A HO3 6 HETATM 3865 H HO4 . NAG B 2 . ? 9.073 22.490 -22.489 1.00 0.00 ? 101 NAG A HO4 6 HETATM 3866 H HO6 . NAG B 2 . ? 7.491 18.181 -23.679 1.00 0.00 ? 101 NAG A HO6 6 HETATM 3867 C C1 . NAG C 2 . ? 10.018 4.448 -37.142 1.00 0.00 ? 102 NAG A C1 6 HETATM 3868 C C2 . NAG C 2 . ? 9.575 3.642 -38.364 1.00 0.00 ? 102 NAG A C2 6 HETATM 3869 C C3 . NAG C 2 . ? 9.222 4.608 -39.500 1.00 0.00 ? 102 NAG A C3 6 HETATM 3870 C C4 . NAG C 2 . ? 8.200 5.625 -38.980 1.00 0.00 ? 102 NAG A C4 6 HETATM 3871 C C5 . NAG C 2 . ? 8.748 6.280 -37.711 1.00 0.00 ? 102 NAG A C5 6 HETATM 3872 C C6 . NAG C 2 . ? 7.746 7.320 -37.203 1.00 0.00 ? 102 NAG A C6 6 HETATM 3873 C C7 . NAG C 2 . ? 10.756 1.512 -38.291 1.00 0.00 ? 102 NAG A C7 6 HETATM 3874 C C8 . NAG C 2 . ? 11.874 0.604 -38.731 1.00 0.00 ? 102 NAG A C8 6 HETATM 3875 N N2 . NAG C 2 . ? 10.662 2.760 -38.792 1.00 0.00 ? 102 NAG A N2 6 HETATM 3876 O O3 . NAG C 2 . ? 8.663 3.886 -40.598 1.00 0.00 ? 102 NAG A O3 6 HETATM 3877 O O4 . NAG C 2 . ? 7.968 6.626 -39.972 1.00 0.00 ? 102 NAG A O4 6 HETATM 3878 O O5 . NAG C 2 . ? 8.954 5.290 -36.706 1.00 0.00 ? 102 NAG A O5 6 HETATM 3879 O O6 . NAG C 2 . ? 8.258 7.938 -36.021 1.00 0.00 ? 102 NAG A O6 6 HETATM 3880 O O7 . NAG C 2 . ? 9.938 1.120 -37.486 1.00 0.00 ? 102 NAG A O7 6 HETATM 3881 H H1 . NAG C 2 . ? 10.885 5.069 -37.412 1.00 0.00 ? 102 NAG A H1 6 HETATM 3882 H H2 . NAG C 2 . ? 8.694 3.034 -38.107 1.00 0.00 ? 102 NAG A H2 6 HETATM 3883 H H3 . NAG C 2 . ? 10.130 5.126 -39.843 1.00 0.00 ? 102 NAG A H3 6 HETATM 3884 H H4 . NAG C 2 . ? 7.252 5.113 -38.756 1.00 0.00 ? 102 NAG A H4 6 HETATM 3885 H H5 . NAG C 2 . ? 9.706 6.770 -37.939 1.00 0.00 ? 102 NAG A H5 6 HETATM 3886 H H61 . NAG C 2 . ? 7.565 8.080 -37.979 1.00 0.00 ? 102 NAG A H61 6 HETATM 3887 H H62 . NAG C 2 . ? 6.779 6.840 -36.990 1.00 0.00 ? 102 NAG A H62 6 HETATM 3888 H H81 . NAG C 2 . ? 11.973 0.648 -39.825 1.00 0.00 ? 102 NAG A H81 6 HETATM 3889 H H82 . NAG C 2 . ? 12.816 0.930 -38.265 1.00 0.00 ? 102 NAG A H82 6 HETATM 3890 H H83 . NAG C 2 . ? 11.652 -0.428 -38.423 1.00 0.00 ? 102 NAG A H83 6 HETATM 3891 H HN2 . NAG C 2 . ? 11.336 3.083 -39.456 1.00 0.00 ? 102 NAG A HN2 6 HETATM 3892 H HO3 . NAG C 2 . ? 8.433 4.522 -41.335 1.00 0.00 ? 102 NAG A HO3 6 HETATM 3893 H HO4 . NAG C 2 . ? 7.033 6.970 -39.888 1.00 0.00 ? 102 NAG A HO4 6 HETATM 3894 H HO6 . NAG C 2 . ? 8.760 7.261 -35.481 1.00 0.00 ? 102 NAG A HO6 6 ATOM 3895 N N . LYS A 1 1 ? 2.367 -1.618 -3.414 1.00 0.00 ? 1 LYS A N 7 ATOM 3896 C CA . LYS A 1 1 ? 2.761 -1.199 -4.754 1.00 0.00 ? 1 LYS A CA 7 ATOM 3897 C C . LYS A 1 1 ? 4.280 -1.134 -4.878 1.00 0.00 ? 1 LYS A C 7 ATOM 3898 O O . LYS A 1 1 ? 5.005 -1.057 -3.887 1.00 0.00 ? 1 LYS A O 7 ATOM 3899 C CB . LYS A 1 1 ? 2.152 0.166 -5.083 1.00 0.00 ? 1 LYS A CB 7 ATOM 3900 C CG . LYS A 1 1 ? 0.769 0.080 -5.705 1.00 0.00 ? 1 LYS A CG 7 ATOM 3901 C CD . LYS A 1 1 ? -0.097 1.263 -5.302 1.00 0.00 ? 1 LYS A CD 7 ATOM 3902 C CE . LYS A 1 1 ? -0.547 1.156 -3.854 1.00 0.00 ? 1 LYS A CE 7 ATOM 3903 N NZ . LYS A 1 1 ? -1.898 0.540 -3.737 1.00 0.00 ? 1 LYS A NZ 7 ATOM 3904 H H1 . LYS A 1 1 ? 1.597 -2.217 -3.308 1.00 0.00 ? 1 LYS A H1 7 ATOM 3905 H HA . LYS A 1 1 ? 2.386 -1.930 -5.454 1.00 0.00 ? 1 LYS A HA 7 ATOM 3906 H HB2 . LYS A 1 1 ? 2.081 0.744 -4.174 1.00 0.00 ? 1 LYS A HB2 7 ATOM 3907 H HB3 . LYS A 1 1 ? 2.804 0.679 -5.776 1.00 0.00 ? 1 LYS A HB3 7 ATOM 3908 H HG2 . LYS A 1 1 ? 0.867 0.069 -6.780 1.00 0.00 ? 1 LYS A HG2 7 ATOM 3909 H HG3 . LYS A 1 1 ? 0.292 -0.832 -5.375 1.00 0.00 ? 1 LYS A HG3 7 ATOM 3910 H HD2 . LYS A 1 1 ? 0.472 2.173 -5.424 1.00 0.00 ? 1 LYS A HD2 7 ATOM 3911 H HD3 . LYS A 1 1 ? -0.969 1.293 -5.941 1.00 0.00 ? 1 LYS A HD3 7 ATOM 3912 H HE2 . LYS A 1 1 ? 0.163 0.551 -3.313 1.00 0.00 ? 1 LYS A HE2 7 ATOM 3913 H HE3 . LYS A 1 1 ? -0.575 2.147 -3.425 1.00 0.00 ? 1 LYS A HE3 7 ATOM 3914 H HZ1 . LYS A 1 1 ? -2.557 0.995 -4.399 1.00 0.00 ? 1 LYS A HZ1 7 ATOM 3915 H HZ2 . LYS A 1 1 ? -2.260 0.655 -2.769 1.00 0.00 ? 1 LYS A HZ2 7 ATOM 3916 H HZ3 . LYS A 1 1 ? -1.848 -0.475 -3.957 1.00 0.00 ? 1 LYS A HZ3 7 ATOM 3917 N N . PRO A 1 2 ? 4.774 -1.163 -6.125 1.00 0.00 ? 2 PRO A N 7 ATOM 3918 C CA . PRO A 1 2 ? 6.212 -1.106 -6.408 1.00 0.00 ? 2 PRO A CA 7 ATOM 3919 C C . PRO A 1 2 ? 6.809 0.262 -6.098 1.00 0.00 ? 2 PRO A C 7 ATOM 3920 O O . PRO A 1 2 ? 6.162 1.108 -5.482 1.00 0.00 ? 2 PRO A O 7 ATOM 3921 C CB . PRO A 1 2 ? 6.289 -1.396 -7.909 1.00 0.00 ? 2 PRO A CB 7 ATOM 3922 C CG . PRO A 1 2 ? 4.964 -0.975 -8.445 1.00 0.00 ? 2 PRO A CG 7 ATOM 3923 C CD . PRO A 1 2 ? 3.968 -1.254 -7.354 1.00 0.00 ? 2 PRO A CD 7 ATOM 3924 H HA . PRO A 1 2 ? 6.754 -1.866 -5.865 1.00 0.00 ? 2 PRO A HA 7 ATOM 3925 H HB2 . PRO A 1 2 ? 7.094 -0.823 -8.348 1.00 0.00 ? 2 PRO A HB2 7 ATOM 3926 H HB3 . PRO A 1 2 ? 6.462 -2.450 -8.067 1.00 0.00 ? 2 PRO A HB3 7 ATOM 3927 H HG2 . PRO A 1 2 ? 4.981 0.079 -8.678 1.00 0.00 ? 2 PRO A HG2 7 ATOM 3928 H HG3 . PRO A 1 2 ? 4.726 -1.551 -9.327 1.00 0.00 ? 2 PRO A HG3 7 ATOM 3929 H HD2 . PRO A 1 2 ? 3.186 -0.510 -7.358 1.00 0.00 ? 2 PRO A HD2 7 ATOM 3930 H HD3 . PRO A 1 2 ? 3.551 -2.244 -7.468 1.00 0.00 ? 2 PRO A HD3 7 ATOM 3931 N N . ALA A 1 3 ? 8.048 0.473 -6.531 1.00 0.00 ? 3 ALA A N 7 ATOM 3932 C CA . ALA A 1 3 ? 8.732 1.740 -6.302 1.00 0.00 ? 3 ALA A CA 7 ATOM 3933 C C . ALA A 1 3 ? 8.468 2.720 -7.439 1.00 0.00 ? 3 ALA A C 7 ATOM 3934 O O . ALA A 1 3 ? 9.119 3.760 -7.539 1.00 0.00 ? 3 ALA A O 7 ATOM 3935 C CB . ALA A 1 3 ? 10.227 1.511 -6.137 1.00 0.00 ? 3 ALA A CB 7 ATOM 3936 H H . ALA A 1 3 ? 8.513 -0.239 -7.017 1.00 0.00 ? 3 ALA A H 7 ATOM 3937 H HA . ALA A 1 3 ? 8.354 2.162 -5.381 1.00 0.00 ? 3 ALA A HA 7 ATOM 3938 H HB1 . ALA A 1 3 ? 10.418 0.453 -6.028 1.00 0.00 ? 3 ALA A HB1 7 ATOM 3939 H HB2 . ALA A 1 3 ? 10.746 1.883 -7.007 1.00 0.00 ? 3 ALA A HB2 7 ATOM 3940 H HB3 . ALA A 1 3 ? 10.576 2.032 -5.258 1.00 0.00 ? 3 ALA A HB3 7 ATOM 3941 N N . TRP A 1 4 ? 7.510 2.382 -8.295 1.00 0.00 ? 4 TRP A N 7 ATOM 3942 C CA . TRP A 1 4 ? 7.160 3.233 -9.426 1.00 0.00 ? 4 TRP A CA 7 ATOM 3943 C C . TRP A 1 4 ? 5.860 3.983 -9.162 1.00 0.00 ? 4 TRP A C 7 ATOM 3944 O O . TRP A 1 4 ? 5.796 5.205 -9.305 1.00 0.00 ? 4 TRP A O 7 ATOM 3945 C CB . TRP A 1 4 ? 7.031 2.396 -10.700 1.00 0.00 ? 4 TRP A CB 7 ATOM 3946 C CG . TRP A 1 4 ? 7.750 1.083 -10.623 1.00 0.00 ? 4 TRP A CG 7 ATOM 3947 C CD1 . TRP A 1 4 ? 9.039 0.877 -10.223 1.00 0.00 ? 4 TRP A CD1 7 ATOM 3948 C CD2 . TRP A 1 4 ? 7.221 -0.205 -10.957 1.00 0.00 ? 4 TRP A CD2 7 ATOM 3949 N NE1 . TRP A 1 4 ? 9.344 -0.462 -10.289 1.00 0.00 ? 4 TRP A NE1 7 ATOM 3950 C CE2 . TRP A 1 4 ? 8.245 -1.147 -10.735 1.00 0.00 ? 4 TRP A CE2 7 ATOM 3951 C CE3 . TRP A 1 4 ? 5.981 -0.655 -11.420 1.00 0.00 ? 4 TRP A CE3 7 ATOM 3952 C CZ2 . TRP A 1 4 ? 8.065 -2.508 -10.962 1.00 0.00 ? 4 TRP A CZ2 7 ATOM 3953 C CZ3 . TRP A 1 4 ? 5.805 -2.007 -11.645 1.00 0.00 ? 4 TRP A CZ3 7 ATOM 3954 C CH2 . TRP A 1 4 ? 6.842 -2.921 -11.415 1.00 0.00 ? 4 TRP A CH2 7 ATOM 3955 H H . TRP A 1 4 ? 7.026 1.540 -8.163 1.00 0.00 ? 4 TRP A H 7 ATOM 3956 H HA . TRP A 1 4 ? 7.956 3.951 -9.558 1.00 0.00 ? 4 TRP A HA 7 ATOM 3957 H HB2 . TRP A 1 4 ? 5.987 2.193 -10.885 1.00 0.00 ? 4 TRP A HB2 7 ATOM 3958 H HB3 . TRP A 1 4 ? 7.439 2.952 -11.531 1.00 0.00 ? 4 TRP A HB3 7 ATOM 3959 H HD1 . TRP A 1 4 ? 9.710 1.661 -9.907 1.00 0.00 ? 4 TRP A HD1 7 ATOM 3960 H HE1 . TRP A 1 4 ? 10.207 -0.861 -10.052 1.00 0.00 ? 4 TRP A HE1 7 ATOM 3961 H HE3 . TRP A 1 4 ? 5.170 0.035 -11.603 1.00 0.00 ? 4 TRP A HE3 7 ATOM 3962 H HZ2 . TRP A 1 4 ? 8.854 -3.226 -10.789 1.00 0.00 ? 4 TRP A HZ2 7 ATOM 3963 H HZ3 . TRP A 1 4 ? 4.854 -2.373 -12.003 1.00 0.00 ? 4 TRP A HZ3 7 ATOM 3964 H HH2 . TRP A 1 4 ? 6.659 -3.967 -11.604 1.00 0.00 ? 4 TRP A HH2 7 ATOM 3965 N N . CYS A 1 5 ? 4.824 3.246 -8.776 1.00 0.00 ? 5 CYS A N 7 ATOM 3966 C CA . CYS A 1 5 ? 3.524 3.841 -8.492 1.00 0.00 ? 5 CYS A CA 7 ATOM 3967 C C . CYS A 1 5 ? 3.453 4.327 -7.047 1.00 0.00 ? 5 CYS A C 7 ATOM 3968 O O . CYS A 1 5 ? 4.464 4.374 -6.347 1.00 0.00 ? 5 CYS A O 7 ATOM 3969 C CB . CYS A 1 5 ? 2.407 2.830 -8.757 1.00 0.00 ? 5 CYS A CB 7 ATOM 3970 S SG . CYS A 1 5 ? 2.606 1.892 -10.306 1.00 0.00 ? 5 CYS A SG 7 ATOM 3971 H H . CYS A 1 5 ? 4.937 2.276 -8.680 1.00 0.00 ? 5 CYS A H 7 ATOM 3972 H HA . CYS A 1 5 ? 3.396 4.687 -9.150 1.00 0.00 ? 5 CYS A HA 7 ATOM 3973 H HB2 . CYS A 1 5 ? 2.376 2.118 -7.945 1.00 0.00 ? 5 CYS A HB2 7 ATOM 3974 H HB3 . CYS A 1 5 ? 1.463 3.352 -8.807 1.00 0.00 ? 5 CYS A HB3 7 ATOM 3975 N N . TRP A 1 6 ? 2.252 4.687 -6.609 1.00 0.00 ? 6 TRP A N 7 ATOM 3976 C CA . TRP A 1 6 ? 2.048 5.169 -5.247 1.00 0.00 ? 6 TRP A CA 7 ATOM 3977 C C . TRP A 1 6 ? 0.618 4.911 -4.787 1.00 0.00 ? 6 TRP A C 7 ATOM 3978 O O . TRP A 1 6 ? 0.391 4.414 -3.683 1.00 0.00 ? 6 TRP A O 7 ATOM 3979 C CB . TRP A 1 6 ? 2.363 6.663 -5.161 1.00 0.00 ? 6 TRP A CB 7 ATOM 3980 C CG . TRP A 1 6 ? 3.145 7.036 -3.938 1.00 0.00 ? 6 TRP A CG 7 ATOM 3981 C CD1 . TRP A 1 6 ? 4.485 7.288 -3.867 1.00 0.00 ? 6 TRP A CD1 7 ATOM 3982 C CD2 . TRP A 1 6 ? 2.634 7.196 -2.610 1.00 0.00 ? 6 TRP A CD2 7 ATOM 3983 N NE1 . TRP A 1 6 ? 4.838 7.595 -2.575 1.00 0.00 ? 6 TRP A NE1 7 ATOM 3984 C CE2 . TRP A 1 6 ? 3.721 7.546 -1.785 1.00 0.00 ? 6 TRP A CE2 7 ATOM 3985 C CE3 . TRP A 1 6 ? 1.364 7.079 -2.038 1.00 0.00 ? 6 TRP A CE3 7 ATOM 3986 C CZ2 . TRP A 1 6 ? 3.574 7.779 -0.420 1.00 0.00 ? 6 TRP A CZ2 7 ATOM 3987 C CZ3 . TRP A 1 6 ? 1.220 7.310 -0.683 1.00 0.00 ? 6 TRP A CZ3 7 ATOM 3988 C CH2 . TRP A 1 6 ? 2.320 7.657 0.114 1.00 0.00 ? 6 TRP A CH2 7 ATOM 3989 H H . TRP A 1 6 ? 1.484 4.627 -7.215 1.00 0.00 ? 6 TRP A H 7 ATOM 3990 H HA . TRP A 1 6 ? 2.725 4.630 -4.601 1.00 0.00 ? 6 TRP A HA 7 ATOM 3991 H HB2 . TRP A 1 6 ? 2.939 6.954 -6.026 1.00 0.00 ? 6 TRP A HB2 7 ATOM 3992 H HB3 . TRP A 1 6 ? 1.436 7.218 -5.147 1.00 0.00 ? 6 TRP A HB3 7 ATOM 3993 H HD1 . TRP A 1 6 ? 5.157 7.247 -4.711 1.00 0.00 ? 6 TRP A HD1 7 ATOM 3994 H HE1 . TRP A 1 6 ? 5.744 7.816 -2.270 1.00 0.00 ? 6 TRP A HE1 7 ATOM 3995 H HE3 . TRP A 1 6 ? 0.505 6.812 -2.635 1.00 0.00 ? 6 TRP A HE3 7 ATOM 3996 H HZ2 . TRP A 1 6 ? 4.411 8.049 0.207 1.00 0.00 ? 6 TRP A HZ2 7 ATOM 3997 H HZ3 . TRP A 1 6 ? 0.247 7.224 -0.223 1.00 0.00 ? 6 TRP A HZ3 7 ATOM 3998 H HH2 . TRP A 1 6 ? 2.161 7.829 1.167 1.00 0.00 ? 6 TRP A HH2 7 ATOM 3999 N N . TYR A 1 7 ? -0.344 5.250 -5.638 1.00 0.00 ? 7 TYR A N 7 ATOM 4000 C CA . TYR A 1 7 ? -1.753 5.056 -5.317 1.00 0.00 ? 7 TYR A CA 7 ATOM 4001 C C . TYR A 1 7 ? -2.632 5.331 -6.533 1.00 0.00 ? 7 TYR A C 7 ATOM 4002 O O . TYR A 1 7 ? -2.142 5.433 -7.659 1.00 0.00 ? 7 TYR A O 7 ATOM 4003 C CB . TYR A 1 7 ? -2.163 5.968 -4.160 1.00 0.00 ? 7 TYR A CB 7 ATOM 4004 C CG . TYR A 1 7 ? -3.039 5.286 -3.133 1.00 0.00 ? 7 TYR A CG 7 ATOM 4005 C CD1 . TYR A 1 7 ? -2.629 4.112 -2.512 1.00 0.00 ? 7 TYR A CD1 7 ATOM 4006 C CD2 . TYR A 1 7 ? -4.275 5.815 -2.783 1.00 0.00 ? 7 TYR A CD2 7 ATOM 4007 C CE1 . TYR A 1 7 ? -3.426 3.485 -1.574 1.00 0.00 ? 7 TYR A CE1 7 ATOM 4008 C CE2 . TYR A 1 7 ? -5.077 5.196 -1.845 1.00 0.00 ? 7 TYR A CE2 7 ATOM 4009 C CZ . TYR A 1 7 ? -4.649 4.031 -1.243 1.00 0.00 ? 7 TYR A CZ 7 ATOM 4010 O OH . TYR A 1 7 ? -5.446 3.411 -0.309 1.00 0.00 ? 7 TYR A OH 7 ATOM 4011 H H . TYR A 1 7 ? -0.100 5.641 -6.503 1.00 0.00 ? 7 TYR A H 7 ATOM 4012 H HA . TYR A 1 7 ? -1.886 4.027 -5.016 1.00 0.00 ? 7 TYR A HA 7 ATOM 4013 H HB2 . TYR A 1 7 ? -1.277 6.322 -3.657 1.00 0.00 ? 7 TYR A HB2 7 ATOM 4014 H HB3 . TYR A 1 7 ? -2.710 6.813 -4.553 1.00 0.00 ? 7 TYR A HB3 7 ATOM 4015 H HD1 . TYR A 1 7 ? -1.671 3.687 -2.773 1.00 0.00 ? 7 TYR A HD1 7 ATOM 4016 H HD2 . TYR A 1 7 ? -4.608 6.728 -3.257 1.00 0.00 ? 7 TYR A HD2 7 ATOM 4017 H HE1 . TYR A 1 7 ? -3.091 2.573 -1.102 1.00 0.00 ? 7 TYR A HE1 7 ATOM 4018 H HE2 . TYR A 1 7 ? -6.035 5.623 -1.586 1.00 0.00 ? 7 TYR A HE2 7 ATOM 4019 H HH . TYR A 1 7 ? -5.002 3.413 0.543 1.00 0.00 ? 7 TYR A HH 7 ATOM 4020 N N . THR A 1 8 ? -3.935 5.453 -6.298 1.00 0.00 ? 8 THR A N 7 ATOM 4021 C CA . THR A 1 8 ? -4.884 5.716 -7.373 1.00 0.00 ? 8 THR A CA 7 ATOM 4022 C C . THR A 1 8 ? -5.296 7.183 -7.394 1.00 0.00 ? 8 THR A C 7 ATOM 4023 O O . THR A 1 8 ? -6.391 7.524 -7.845 1.00 0.00 ? 8 THR A O 7 ATOM 4024 C CB . THR A 1 8 ? -6.144 4.842 -7.235 1.00 0.00 ? 8 THR A CB 7 ATOM 4025 O OG1 . THR A 1 8 ? -5.782 3.524 -6.807 1.00 0.00 ? 8 THR A OG1 7 ATOM 4026 C CG2 . THR A 1 8 ? -6.895 4.763 -8.556 1.00 0.00 ? 8 THR A CG2 7 ATOM 4027 H H . THR A 1 8 ? -4.264 5.362 -5.380 1.00 0.00 ? 8 THR A H 7 ATOM 4028 H HA . THR A 1 8 ? -4.403 5.473 -8.309 1.00 0.00 ? 8 THR A HA 7 ATOM 4029 H HB . THR A 1 8 ? -6.794 5.287 -6.495 1.00 0.00 ? 8 THR A HB 7 ATOM 4030 H HG1 . THR A 1 8 ? -6.558 3.076 -6.461 1.00 0.00 ? 8 THR A HG1 7 ATOM 4031 H HG21 . THR A 1 8 ? -7.907 5.109 -8.415 1.00 0.00 ? 8 THR A HG21 7 ATOM 4032 H HG22 . THR A 1 8 ? -6.910 3.740 -8.901 1.00 0.00 ? 8 THR A HG22 7 ATOM 4033 H HG23 . THR A 1 8 ? -6.400 5.383 -9.288 1.00 0.00 ? 8 THR A HG23 7 ATOM 4034 N N . LEU A 1 9 ? -4.415 8.048 -6.905 1.00 0.00 ? 9 LEU A N 7 ATOM 4035 C CA . LEU A 1 9 ? -4.687 9.481 -6.869 1.00 0.00 ? 9 LEU A CA 7 ATOM 4036 C C . LEU A 1 9 ? -4.764 10.056 -8.280 1.00 0.00 ? 9 LEU A C 7 ATOM 4037 O O . LEU A 1 9 ? -5.452 11.048 -8.520 1.00 0.00 ? 9 LEU A O 7 ATOM 4038 C CB . LEU A 1 9 ? -3.605 10.206 -6.068 1.00 0.00 ? 9 LEU A CB 7 ATOM 4039 C CG . LEU A 1 9 ? -3.919 10.462 -4.594 1.00 0.00 ? 9 LEU A CG 7 ATOM 4040 C CD1 . LEU A 1 9 ? -2.795 9.944 -3.711 1.00 0.00 ? 9 LEU A CD1 7 ATOM 4041 C CD2 . LEU A 1 9 ? -4.151 11.946 -4.348 1.00 0.00 ? 9 LEU A CD2 7 ATOM 4042 H H . LEU A 1 9 ? -3.560 7.717 -6.560 1.00 0.00 ? 9 LEU A H 7 ATOM 4043 H HA . LEU A 1 9 ? -5.641 9.624 -6.383 1.00 0.00 ? 9 LEU A HA 7 ATOM 4044 H HB2 . LEU A 1 9 ? -2.705 9.612 -6.116 1.00 0.00 ? 9 LEU A HB2 7 ATOM 4045 H HB3 . LEU A 1 9 ? -3.429 11.162 -6.541 1.00 0.00 ? 9 LEU A HB3 7 ATOM 4046 H HG . LEU A 1 9 ? -4.823 9.932 -4.328 1.00 0.00 ? 9 LEU A HG 7 ATOM 4047 H HD11 . LEU A 1 9 ? -3.167 9.784 -2.710 1.00 0.00 ? 9 LEU A HD11 7 ATOM 4048 H HD12 . LEU A 1 9 ? -1.994 10.668 -3.686 1.00 0.00 ? 9 LEU A HD12 7 ATOM 4049 H HD13 . LEU A 1 9 ? -2.424 9.011 -4.111 1.00 0.00 ? 9 LEU A HD13 7 ATOM 4050 H HD21 . LEU A 1 9 ? -5.126 12.224 -4.722 1.00 0.00 ? 9 LEU A HD21 7 ATOM 4051 H HD22 . LEU A 1 9 ? -3.392 12.518 -4.860 1.00 0.00 ? 9 LEU A HD22 7 ATOM 4052 H HD23 . LEU A 1 9 ? -4.100 12.147 -3.288 1.00 0.00 ? 9 LEU A HD23 7 ATOM 4053 N N . ALA A 1 10 ? -4.054 9.425 -9.210 1.00 0.00 ? 10 ALA A N 7 ATOM 4054 C CA . ALA A 1 10 ? -4.045 9.872 -10.597 1.00 0.00 ? 10 ALA A CA 7 ATOM 4055 C C . ALA A 1 10 ? -3.413 11.254 -10.725 1.00 0.00 ? 10 ALA A C 7 ATOM 4056 O O . ALA A 1 10 ? -4.069 12.211 -11.135 1.00 0.00 ? 10 ALA A O 7 ATOM 4057 C CB . ALA A 1 10 ? -5.459 9.882 -11.158 1.00 0.00 ? 10 ALA A CB 7 ATOM 4058 H H . ALA A 1 10 ? -3.525 8.640 -8.957 1.00 0.00 ? 10 ALA A H 7 ATOM 4059 H HA . ALA A 1 10 ? -3.462 9.166 -11.171 1.00 0.00 ? 10 ALA A HA 7 ATOM 4060 H HB1 . ALA A 1 10 ? -5.923 10.835 -10.946 1.00 0.00 ? 10 ALA A HB1 7 ATOM 4061 H HB2 . ALA A 1 10 ? -5.424 9.728 -12.226 1.00 0.00 ? 10 ALA A HB2 7 ATOM 4062 H HB3 . ALA A 1 10 ? -6.034 9.092 -10.699 1.00 0.00 ? 10 ALA A HB3 7 ATOM 4063 N N . MET A 1 11 ? -2.136 11.350 -10.371 1.00 0.00 ? 11 MET A N 7 ATOM 4064 C CA . MET A 1 11 ? -1.416 12.616 -10.447 1.00 0.00 ? 11 MET A CA 7 ATOM 4065 C C . MET A 1 11 ? -1.304 13.092 -11.892 1.00 0.00 ? 11 MET A C 7 ATOM 4066 O O . MET A 1 11 ? -1.963 14.053 -12.293 1.00 0.00 ? 11 MET A O 7 ATOM 4067 C CB . MET A 1 11 ? -0.021 12.472 -9.836 1.00 0.00 ? 11 MET A CB 7 ATOM 4068 C CG . MET A 1 11 ? -0.037 12.206 -8.340 1.00 0.00 ? 11 MET A CG 7 ATOM 4069 S SD . MET A 1 11 ? 1.499 11.470 -7.748 1.00 0.00 ? 11 MET A SD 7 ATOM 4070 C CE . MET A 1 11 ? 0.916 9.868 -7.197 1.00 0.00 ? 11 MET A CE 7 ATOM 4071 H H . MET A 1 11 ? -1.666 10.552 -10.052 1.00 0.00 ? 11 MET A H 7 ATOM 4072 H HA . MET A 1 11 ? -1.973 13.348 -9.881 1.00 0.00 ? 11 MET A HA 7 ATOM 4073 H HB2 . MET A 1 11 ? 0.488 11.651 -10.320 1.00 0.00 ? 11 MET A HB2 7 ATOM 4074 H HB3 . MET A 1 11 ? 0.533 13.382 -10.012 1.00 0.00 ? 11 MET A HB3 7 ATOM 4075 H HG2 . MET A 1 11 ? -0.194 13.141 -7.823 1.00 0.00 ? 11 MET A HG2 7 ATOM 4076 H HG3 . MET A 1 11 ? -0.853 11.533 -8.117 1.00 0.00 ? 11 MET A HG3 7 ATOM 4077 H HE1 . MET A 1 11 ? 1.648 9.428 -6.535 1.00 0.00 ? 11 MET A HE1 7 ATOM 4078 H HE2 . MET A 1 11 ? -0.020 9.986 -6.672 1.00 0.00 ? 11 MET A HE2 7 ATOM 4079 H HE3 . MET A 1 11 ? 0.771 9.225 -8.053 1.00 0.00 ? 11 MET A HE3 7 ATOM 4080 N N . CYS A 1 12 ? -0.467 12.415 -12.670 1.00 0.00 ? 12 CYS A N 7 ATOM 4081 C CA . CYS A 1 12 ? -0.268 12.769 -14.070 1.00 0.00 ? 12 CYS A CA 7 ATOM 4082 C C . CYS A 1 12 ? -1.604 12.870 -14.801 1.00 0.00 ? 12 CYS A C 7 ATOM 4083 O O . CYS A 1 12 ? -2.592 12.260 -14.397 1.00 0.00 ? 12 CYS A O 7 ATOM 4084 C CB . CYS A 1 12 ? 0.624 11.733 -14.758 1.00 0.00 ? 12 CYS A CB 7 ATOM 4085 S SG . CYS A 1 12 ? -0.194 10.136 -15.069 1.00 0.00 ? 12 CYS A SG 7 ATOM 4086 H H . CYS A 1 12 ? 0.031 11.658 -12.293 1.00 0.00 ? 12 CYS A H 7 ATOM 4087 H HA . CYS A 1 12 ? 0.221 13.731 -14.104 1.00 0.00 ? 12 CYS A HA 7 ATOM 4088 H HB2 . CYS A 1 12 ? 0.950 12.126 -15.710 1.00 0.00 ? 12 CYS A HB2 7 ATOM 4089 H HB3 . CYS A 1 12 ? 1.488 11.545 -14.138 1.00 0.00 ? 12 CYS A HB3 7 ATOM 4090 N N . GLY A 1 13 ? -1.624 13.647 -15.880 1.00 0.00 ? 13 GLY A N 7 ATOM 4091 C CA . GLY A 1 13 ? -2.843 13.815 -16.650 1.00 0.00 ? 13 GLY A CA 7 ATOM 4092 C C . GLY A 1 13 ? -3.647 15.021 -16.208 1.00 0.00 ? 13 GLY A C 7 ATOM 4093 O O . GLY A 1 13 ? -4.462 15.544 -16.967 1.00 0.00 ? 13 GLY A O 7 ATOM 4094 H H . GLY A 1 13 ? -0.806 14.110 -16.155 1.00 0.00 ? 13 GLY A H 7 ATOM 4095 H HA2 . GLY A 1 13 ? -2.585 13.929 -17.692 1.00 0.00 ? 13 GLY A HA2 7 ATOM 4096 H HA3 . GLY A 1 13 ? -3.452 12.930 -16.536 1.00 0.00 ? 13 GLY A HA3 7 ATOM 4097 N N . ALA A 1 14 ? -3.418 15.463 -14.975 1.00 0.00 ? 14 ALA A N 7 ATOM 4098 C CA . ALA A 1 14 ? -4.127 16.616 -14.433 1.00 0.00 ? 14 ALA A CA 7 ATOM 4099 C C . ALA A 1 14 ? -3.192 17.809 -14.270 1.00 0.00 ? 14 ALA A C 7 ATOM 4100 O O . ALA A 1 14 ? -3.421 18.679 -13.431 1.00 0.00 ? 14 ALA A O 7 ATOM 4101 C CB . ALA A 1 14 ? -4.771 16.261 -13.101 1.00 0.00 ? 14 ALA A CB 7 ATOM 4102 H H . ALA A 1 14 ? -2.756 15.004 -14.418 1.00 0.00 ? 14 ALA A H 7 ATOM 4103 H HA . ALA A 1 14 ? -4.914 16.880 -15.126 1.00 0.00 ? 14 ALA A HA 7 ATOM 4104 H HB1 . ALA A 1 14 ? -4.011 15.914 -12.416 1.00 0.00 ? 14 ALA A HB1 7 ATOM 4105 H HB2 . ALA A 1 14 ? -5.255 17.135 -12.691 1.00 0.00 ? 14 ALA A HB2 7 ATOM 4106 H HB3 . ALA A 1 14 ? -5.503 15.481 -13.252 1.00 0.00 ? 14 ALA A HB3 7 ATOM 4107 N N . GLY A 1 15 ? -2.136 17.842 -15.077 1.00 0.00 ? 15 GLY A N 7 ATOM 4108 C CA . GLY A 1 15 ? -1.181 18.932 -15.005 1.00 0.00 ? 15 GLY A CA 7 ATOM 4109 C C . GLY A 1 15 ? 0.107 18.530 -14.314 1.00 0.00 ? 15 GLY A C 7 ATOM 4110 O O . GLY A 1 15 ? 1.128 19.206 -14.446 1.00 0.00 ? 15 GLY A O 7 ATOM 4111 H H . GLY A 1 15 ? -2.004 17.120 -15.727 1.00 0.00 ? 15 GLY A H 7 ATOM 4112 H HA2 . GLY A 1 15 ? -0.952 19.263 -16.007 1.00 0.00 ? 15 GLY A HA2 7 ATOM 4113 H HA3 . GLY A 1 15 ? -1.627 19.751 -14.460 1.00 0.00 ? 15 GLY A HA3 7 ATOM 4114 N N . TYR A 1 16 ? 0.060 17.428 -13.573 1.00 0.00 ? 16 TYR A N 7 ATOM 4115 C CA . TYR A 1 16 ? 1.231 16.940 -12.855 1.00 0.00 ? 16 TYR A CA 7 ATOM 4116 C C . TYR A 1 16 ? 2.365 16.612 -13.822 1.00 0.00 ? 16 TYR A C 7 ATOM 4117 O O . TYR A 1 16 ? 3.542 16.741 -13.482 1.00 0.00 ? 16 TYR A O 7 ATOM 4118 C CB . TYR A 1 16 ? 0.872 15.700 -12.035 1.00 0.00 ? 16 TYR A CB 7 ATOM 4119 C CG . TYR A 1 16 ? 0.559 16.002 -10.586 1.00 0.00 ? 16 TYR A CG 7 ATOM 4120 C CD1 . TYR A 1 16 ? -0.706 16.431 -10.203 1.00 0.00 ? 16 TYR A CD1 7 ATOM 4121 C CD2 . TYR A 1 16 ? 1.529 15.858 -9.601 1.00 0.00 ? 16 TYR A CD2 7 ATOM 4122 C CE1 . TYR A 1 16 ? -0.995 16.709 -8.881 1.00 0.00 ? 16 TYR A CE1 7 ATOM 4123 C CE2 . TYR A 1 16 ? 1.248 16.133 -8.277 1.00 0.00 ? 16 TYR A CE2 7 ATOM 4124 C CZ . TYR A 1 16 ? -0.016 16.558 -7.922 1.00 0.00 ? 16 TYR A CZ 7 ATOM 4125 O OH . TYR A 1 16 ? -0.301 16.833 -6.604 1.00 0.00 ? 16 TYR A OH 7 ATOM 4126 H H . TYR A 1 16 ? -0.782 16.932 -13.507 1.00 0.00 ? 16 TYR A H 7 ATOM 4127 H HA . TYR A 1 16 ? 1.559 17.721 -12.185 1.00 0.00 ? 16 TYR A HA 7 ATOM 4128 H HB2 . TYR A 1 16 ? 0.004 15.228 -12.469 1.00 0.00 ? 16 TYR A HB2 7 ATOM 4129 H HB3 . TYR A 1 16 ? 1.701 15.008 -12.058 1.00 0.00 ? 16 TYR A HB3 7 ATOM 4130 H HD1 . TYR A 1 16 ? -1.471 16.547 -10.957 1.00 0.00 ? 16 TYR A HD1 7 ATOM 4131 H HD2 . TYR A 1 16 ? 2.517 15.525 -9.883 1.00 0.00 ? 16 TYR A HD2 7 ATOM 4132 H HE1 . TYR A 1 16 ? -1.984 17.042 -8.603 1.00 0.00 ? 16 TYR A HE1 7 ATOM 4133 H HE2 . TYR A 1 16 ? 2.014 16.015 -7.525 1.00 0.00 ? 16 TYR A HE2 7 ATOM 4134 H HH . TYR A 1 16 ? -1.228 17.066 -6.519 1.00 0.00 ? 16 TYR A HH 7 ATOM 4135 N N . ASP A 1 17 ? 2.003 16.189 -15.027 1.00 0.00 ? 17 ASP A N 7 ATOM 4136 C CA . ASP A 1 17 ? 2.988 15.844 -16.045 1.00 0.00 ? 17 ASP A CA 7 ATOM 4137 C C . ASP A 1 17 ? 2.772 16.667 -17.312 1.00 0.00 ? 17 ASP A C 7 ATOM 4138 O O . ASP A 1 17 ? 1.929 17.563 -17.345 1.00 0.00 ? 17 ASP A O 7 ATOM 4139 C CB . ASP A 1 17 ? 2.914 14.352 -16.373 1.00 0.00 ? 17 ASP A CB 7 ATOM 4140 C CG . ASP A 1 17 ? 3.269 13.480 -15.185 1.00 0.00 ? 17 ASP A CG 7 ATOM 4141 O OD1 . ASP A 1 17 ? 2.674 13.678 -14.105 1.00 0.00 ? 17 ASP A OD1 7 ATOM 4142 O OD2 . ASP A 1 17 ? 4.142 12.600 -15.335 1.00 0.00 ? 17 ASP A OD2 7 ATOM 4143 H H . ASP A 1 17 ? 1.049 16.107 -15.238 1.00 0.00 ? 17 ASP A H 7 ATOM 4144 H HA . ASP A 1 17 ? 3.967 16.068 -15.648 1.00 0.00 ? 17 ASP A HA 7 ATOM 4145 H HB2 . ASP A 1 17 ? 1.909 14.109 -16.687 1.00 0.00 ? 17 ASP A HB2 7 ATOM 4146 H HB3 . ASP A 1 17 ? 3.601 14.132 -17.177 1.00 0.00 ? 17 ASP A HB3 7 ATOM 4147 N N . SER A 1 18 ? 3.541 16.357 -18.351 1.00 0.00 ? 18 SER A N 7 ATOM 4148 C CA . SER A 1 18 ? 3.437 17.072 -19.618 1.00 0.00 ? 18 SER A CA 7 ATOM 4149 C C . SER A 1 18 ? 2.338 16.474 -20.490 1.00 0.00 ? 18 SER A C 7 ATOM 4150 O O . SER A 1 18 ? 2.685 15.517 -21.181 1.00 0.00 ? 18 SER A O 7 ATOM 4151 C CB . SER A 1 18 ? 4.774 17.029 -20.362 1.00 0.00 ? 18 SER A CB 7 ATOM 4152 O OG . SER A 1 18 ? 5.524 18.209 -20.129 1.00 0.00 ? 18 SER A OG 7 ATOM 4153 H H . SER A 1 18 ? 4.195 15.633 -18.262 1.00 0.00 ? 18 SER A H 7 ATOM 4154 H HA . SER A 1 18 ? 3.189 18.099 -19.400 1.00 0.00 ? 18 SER A HA 7 ATOM 4155 H HB2 . SER A 1 18 ? 5.346 16.180 -20.022 1.00 0.00 ? 18 SER A HB2 7 ATOM 4156 H HB3 . SER A 1 18 ? 4.589 16.938 -21.423 1.00 0.00 ? 18 SER A HB3 7 ATOM 4157 N N . GLY A 1 19 ? 1.187 16.448 -19.785 1.00 0.00 ? 19 GLY A N 7 ATOM 4158 C CA . GLY A 1 19 ? 0.283 15.315 -19.859 1.00 0.00 ? 19 GLY A CA 7 ATOM 4159 C C . GLY A 1 19 ? 0.962 14.064 -20.380 1.00 0.00 ? 19 GLY A C 7 ATOM 4160 O O . GLY A 1 19 ? 0.813 13.708 -21.550 1.00 0.00 ? 19 GLY A O 7 ATOM 4161 H H . GLY A 1 19 ? 0.955 17.221 -19.228 1.00 0.00 ? 19 GLY A H 7 ATOM 4162 H HA2 . GLY A 1 19 ? -0.109 15.115 -18.873 1.00 0.00 ? 19 GLY A HA2 7 ATOM 4163 H HA3 . GLY A 1 19 ? -0.537 15.565 -20.517 1.00 0.00 ? 19 GLY A HA3 7 ATOM 4164 N N . THR A 1 20 ? 1.714 13.395 -19.512 1.00 0.00 ? 20 THR A N 7 ATOM 4165 C CA . THR A 1 20 ? 2.422 12.179 -19.891 1.00 0.00 ? 20 THR A CA 7 ATOM 4166 C C . THR A 1 20 ? 2.660 11.281 -18.682 1.00 0.00 ? 20 THR A C 7 ATOM 4167 O O . THR A 1 20 ? 3.028 11.755 -17.607 1.00 0.00 ? 20 THR A O 7 ATOM 4168 C CB . THR A 1 20 ? 3.776 12.500 -20.552 1.00 0.00 ? 20 THR A CB 7 ATOM 4169 O OG1 . THR A 1 20 ? 4.519 11.293 -20.756 1.00 0.00 ? 20 THR A OG1 7 ATOM 4170 C CG2 . THR A 1 20 ? 4.584 13.460 -19.693 1.00 0.00 ? 20 THR A CG2 7 ATOM 4171 H H . THR A 1 20 ? 1.794 13.729 -18.594 1.00 0.00 ? 20 THR A H 7 ATOM 4172 H HA . THR A 1 20 ? 1.812 11.648 -20.607 1.00 0.00 ? 20 THR A HA 7 ATOM 4173 H HB . THR A 1 20 ? 3.590 12.965 -21.510 1.00 0.00 ? 20 THR A HB 7 ATOM 4174 H HG1 . THR A 1 20 ? 5.327 11.492 -21.237 1.00 0.00 ? 20 THR A HG1 7 ATOM 4175 H HG21 . THR A 1 20 ? 4.515 13.161 -18.658 1.00 0.00 ? 20 THR A HG21 7 ATOM 4176 H HG22 . THR A 1 20 ? 4.191 14.460 -19.804 1.00 0.00 ? 20 THR A HG22 7 ATOM 4177 H HG23 . THR A 1 20 ? 5.617 13.441 -20.006 1.00 0.00 ? 20 THR A HG23 7 ATOM 4178 N N . CYS A 1 21 ? 2.448 9.982 -18.865 1.00 0.00 ? 21 CYS A N 7 ATOM 4179 C CA . CYS A 1 21 ? 2.640 9.017 -17.789 1.00 0.00 ? 21 CYS A CA 7 ATOM 4180 C C . CYS A 1 21 ? 3.497 7.844 -18.257 1.00 0.00 ? 21 CYS A C 7 ATOM 4181 O O . CYS A 1 21 ? 4.064 7.873 -19.349 1.00 0.00 ? 21 CYS A O 7 ATOM 4182 C CB . CYS A 1 21 ? 1.288 8.507 -17.287 1.00 0.00 ? 21 CYS A CB 7 ATOM 4183 S SG . CYS A 1 21 ? 0.052 9.817 -17.016 1.00 0.00 ? 21 CYS A SG 7 ATOM 4184 H H . CYS A 1 21 ? 2.156 9.664 -19.745 1.00 0.00 ? 21 CYS A H 7 ATOM 4185 H HA . CYS A 1 21 ? 3.149 9.518 -16.980 1.00 0.00 ? 21 CYS A HA 7 ATOM 4186 H HB2 . CYS A 1 21 ? 0.881 7.817 -18.011 1.00 0.00 ? 21 CYS A HB2 7 ATOM 4187 H HB3 . CYS A 1 21 ? 1.432 7.991 -16.349 1.00 0.00 ? 21 CYS A HB3 7 ATOM 4188 N N . ASP A 1 22 ? 3.586 6.814 -17.423 1.00 0.00 ? 22 ASP A N 7 ATOM 4189 C CA . ASP A 1 22 ? 4.372 5.630 -17.751 1.00 0.00 ? 22 ASP A CA 7 ATOM 4190 C C . ASP A 1 22 ? 3.884 4.418 -16.963 1.00 0.00 ? 22 ASP A C 7 ATOM 4191 O O . ASP A 1 22 ? 3.209 3.543 -17.506 1.00 0.00 ? 22 ASP A O 7 ATOM 4192 C CB . ASP A 1 22 ? 5.853 5.879 -17.462 1.00 0.00 ? 22 ASP A CB 7 ATOM 4193 C CG . ASP A 1 22 ? 6.676 6.006 -18.728 1.00 0.00 ? 22 ASP A CG 7 ATOM 4194 O OD1 . ASP A 1 22 ? 6.601 5.094 -19.578 1.00 0.00 ? 22 ASP A OD1 7 ATOM 4195 O OD2 . ASP A 1 22 ? 7.397 7.017 -18.869 1.00 0.00 ? 22 ASP A OD2 7 ATOM 4196 H H . ASP A 1 22 ? 3.110 6.850 -16.566 1.00 0.00 ? 22 ASP A H 7 ATOM 4197 H HA . ASP A 1 22 ? 4.248 5.432 -18.805 1.00 0.00 ? 22 ASP A HA 7 ATOM 4198 H HB2 . ASP A 1 22 ? 5.954 6.794 -16.896 1.00 0.00 ? 22 ASP A HB2 7 ATOM 4199 H HB3 . ASP A 1 22 ? 6.243 5.056 -16.881 1.00 0.00 ? 22 ASP A HB3 7 ATOM 4200 N N . TYR A 1 23 ? 4.230 4.374 -15.681 1.00 0.00 ? 23 TYR A N 7 ATOM 4201 C CA . TYR A 1 23 ? 3.830 3.268 -14.819 1.00 0.00 ? 23 TYR A CA 7 ATOM 4202 C C . TYR A 1 23 ? 2.314 3.227 -14.654 1.00 0.00 ? 23 TYR A C 7 ATOM 4203 O O . TYR A 1 23 ? 1.737 2.174 -14.383 1.00 0.00 ? 23 TYR A O 7 ATOM 4204 C CB . TYR A 1 23 ? 4.500 3.393 -13.450 1.00 0.00 ? 23 TYR A CB 7 ATOM 4205 C CG . TYR A 1 23 ? 5.971 3.738 -13.525 1.00 0.00 ? 23 TYR A CG 7 ATOM 4206 C CD1 . TYR A 1 23 ? 6.869 2.901 -14.175 1.00 0.00 ? 23 TYR A CD1 7 ATOM 4207 C CD2 . TYR A 1 23 ? 6.461 4.902 -12.946 1.00 0.00 ? 23 TYR A CD2 7 ATOM 4208 C CE1 . TYR A 1 23 ? 8.213 3.211 -14.245 1.00 0.00 ? 23 TYR A CE1 7 ATOM 4209 C CE2 . TYR A 1 23 ? 7.804 5.221 -13.012 1.00 0.00 ? 23 TYR A CE2 7 ATOM 4210 C CZ . TYR A 1 23 ? 8.675 4.373 -13.662 1.00 0.00 ? 23 TYR A CZ 7 ATOM 4211 O OH . TYR A 1 23 ? 10.014 4.687 -13.731 1.00 0.00 ? 23 TYR A OH 7 ATOM 4212 H H . TYR A 1 23 ? 4.768 5.102 -15.306 1.00 0.00 ? 23 TYR A H 7 ATOM 4213 H HA . TYR A 1 23 ? 4.155 2.350 -15.286 1.00 0.00 ? 23 TYR A HA 7 ATOM 4214 H HB2 . TYR A 1 23 ? 4.007 4.168 -12.885 1.00 0.00 ? 23 TYR A HB2 7 ATOM 4215 H HB3 . TYR A 1 23 ? 4.406 2.454 -12.924 1.00 0.00 ? 23 TYR A HB3 7 ATOM 4216 H HD1 . TYR A 1 23 ? 6.503 1.992 -14.631 1.00 0.00 ? 23 TYR A HD1 7 ATOM 4217 H HD2 . TYR A 1 23 ? 5.776 5.564 -12.437 1.00 0.00 ? 23 TYR A HD2 7 ATOM 4218 H HE1 . TYR A 1 23 ? 8.895 2.547 -14.755 1.00 0.00 ? 23 TYR A HE1 7 ATOM 4219 H HE2 . TYR A 1 23 ? 8.167 6.131 -12.556 1.00 0.00 ? 23 TYR A HE2 7 ATOM 4220 H HH . TYR A 1 23 ? 10.452 4.085 -14.337 1.00 0.00 ? 23 TYR A HH 7 ATOM 4221 N N . MET A 1 24 ? 1.675 4.380 -14.820 1.00 0.00 ? 24 MET A N 7 ATOM 4222 C CA . MET A 1 24 ? 0.226 4.477 -14.691 1.00 0.00 ? 24 MET A CA 7 ATOM 4223 C C . MET A 1 24 ? -0.471 3.637 -15.757 1.00 0.00 ? 24 MET A C 7 ATOM 4224 O O . MET A 1 24 ? -1.439 2.931 -15.470 1.00 0.00 ? 24 MET A O 7 ATOM 4225 C CB . MET A 1 24 ? -0.221 5.935 -14.801 1.00 0.00 ? 24 MET A CB 7 ATOM 4226 C CG . MET A 1 24 ? 0.100 6.764 -13.569 1.00 0.00 ? 24 MET A CG 7 ATOM 4227 S SD . MET A 1 24 ? 1.753 7.482 -13.626 1.00 0.00 ? 24 MET A SD 7 ATOM 4228 C CE . MET A 1 24 ? 2.622 6.427 -12.469 1.00 0.00 ? 24 MET A CE 7 ATOM 4229 H H . MET A 1 24 ? 2.190 5.186 -15.035 1.00 0.00 ? 24 MET A H 7 ATOM 4230 H HA . MET A 1 24 ? -0.046 4.099 -13.717 1.00 0.00 ? 24 MET A HA 7 ATOM 4231 H HB2 . MET A 1 24 ? 0.269 6.387 -15.651 1.00 0.00 ? 24 MET A HB2 7 ATOM 4232 H HB3 . MET A 1 24 ? -1.290 5.962 -14.957 1.00 0.00 ? 24 MET A HB3 7 ATOM 4233 H HG2 . MET A 1 24 ? -0.621 7.564 -13.490 1.00 0.00 ? 24 MET A HG2 7 ATOM 4234 H HG3 . MET A 1 24 ? 0.028 6.131 -12.697 1.00 0.00 ? 24 MET A HG3 7 ATOM 4235 H HE1 . MET A 1 24 ? 2.389 5.393 -12.680 1.00 0.00 ? 24 MET A HE1 7 ATOM 4236 H HE2 . MET A 1 24 ? 3.686 6.584 -12.567 1.00 0.00 ? 24 MET A HE2 7 ATOM 4237 H HE3 . MET A 1 24 ? 2.314 6.667 -11.462 1.00 0.00 ? 24 MET A HE3 7 ATOM 4238 N N . TYR A 1 25 ? 0.025 3.718 -16.986 1.00 0.00 ? 25 TYR A N 7 ATOM 4239 C CA . TYR A 1 25 ? -0.553 2.967 -18.095 1.00 0.00 ? 25 TYR A CA 7 ATOM 4240 C C . TYR A 1 25 ? -0.345 1.468 -17.904 1.00 0.00 ? 25 TYR A C 7 ATOM 4241 O O . TYR A 1 25 ? -0.925 0.653 -18.621 1.00 0.00 ? 25 TYR A O 7 ATOM 4242 C CB . TYR A 1 25 ? 0.067 3.416 -19.419 1.00 0.00 ? 25 TYR A CB 7 ATOM 4243 C CG . TYR A 1 25 ? -0.501 4.714 -19.945 1.00 0.00 ? 25 TYR A CG 7 ATOM 4244 C CD1 . TYR A 1 25 ? -0.452 5.876 -19.184 1.00 0.00 ? 25 TYR A CD1 7 ATOM 4245 C CD2 . TYR A 1 25 ? -1.086 4.780 -21.204 1.00 0.00 ? 25 TYR A CD2 7 ATOM 4246 C CE1 . TYR A 1 25 ? -0.971 7.064 -19.661 1.00 0.00 ? 25 TYR A CE1 7 ATOM 4247 C CE2 . TYR A 1 25 ? -1.606 5.964 -21.689 1.00 0.00 ? 25 TYR A CE2 7 ATOM 4248 C CZ . TYR A 1 25 ? -1.546 7.103 -20.913 1.00 0.00 ? 25 TYR A CZ 7 ATOM 4249 O OH . TYR A 1 25 ? -2.063 8.286 -21.392 1.00 0.00 ? 25 TYR A OH 7 ATOM 4250 H H . TYR A 1 25 ? 0.797 4.298 -17.153 1.00 0.00 ? 25 TYR A H 7 ATOM 4251 H HA . TYR A 1 25 ? -1.613 3.172 -18.117 1.00 0.00 ? 25 TYR A HA 7 ATOM 4252 H HB2 . TYR A 1 25 ? 1.130 3.550 -19.285 1.00 0.00 ? 25 TYR A HB2 7 ATOM 4253 H HB3 . TYR A 1 25 ? -0.103 2.653 -20.165 1.00 0.00 ? 25 TYR A HB3 7 ATOM 4254 H HD1 . TYR A 1 25 ? 0.000 5.841 -18.204 1.00 0.00 ? 25 TYR A HD1 7 ATOM 4255 H HD2 . TYR A 1 25 ? -1.132 3.886 -21.809 1.00 0.00 ? 25 TYR A HD2 7 ATOM 4256 H HE1 . TYR A 1 25 ? -0.923 7.956 -19.054 1.00 0.00 ? 25 TYR A HE1 7 ATOM 4257 H HE2 . TYR A 1 25 ? -2.058 5.996 -22.670 1.00 0.00 ? 25 TYR A HE2 7 ATOM 4258 H HH . TYR A 1 25 ? -1.350 8.831 -21.733 1.00 0.00 ? 25 TYR A HH 7 ATOM 4259 N N . SER A 1 26 ? 0.488 1.112 -16.932 1.00 0.00 ? 26 SER A N 7 ATOM 4260 C CA . SER A 1 26 ? 0.777 -0.289 -16.648 1.00 0.00 ? 26 SER A CA 7 ATOM 4261 C C . SER A 1 26 ? -0.265 -0.877 -15.700 1.00 0.00 ? 26 SER A C 7 ATOM 4262 O O . SER A 1 26 ? 0.039 -1.757 -14.894 1.00 0.00 ? 26 SER A O 7 ATOM 4263 C CB . SER A 1 26 ? 2.173 -0.431 -16.040 1.00 0.00 ? 26 SER A CB 7 ATOM 4264 O OG . SER A 1 26 ? 2.606 -1.780 -16.066 1.00 0.00 ? 26 SER A OG 7 ATOM 4265 H H . SER A 1 26 ? 0.921 1.808 -16.394 1.00 0.00 ? 26 SER A H 7 ATOM 4266 H HA . SER A 1 26 ? 0.743 -0.831 -17.581 1.00 0.00 ? 26 SER A HA 7 ATOM 4267 H HB2 . SER A 1 26 ? 2.871 0.169 -16.603 1.00 0.00 ? 26 SER A HB2 7 ATOM 4268 H HB3 . SER A 1 26 ? 2.153 -0.092 -15.014 1.00 0.00 ? 26 SER A HB3 7 ATOM 4269 H HG . SER A 1 26 ? 3.544 -1.820 -15.862 1.00 0.00 ? 26 SER A HG 7 ATOM 4270 N N . HIS A 1 27 ? -1.495 -0.384 -15.804 1.00 0.00 ? 27 HIS A N 7 ATOM 4271 C CA . HIS A 1 27 ? -2.583 -0.860 -14.957 1.00 0.00 ? 27 HIS A CA 7 ATOM 4272 C C . HIS A 1 27 ? -2.212 -0.748 -13.481 1.00 0.00 ? 27 HIS A C 7 ATOM 4273 O O . HIS A 1 27 ? -2.303 -1.722 -12.732 1.00 0.00 ? 27 HIS A O 7 ATOM 4274 C CB . HIS A 1 27 ? -2.928 -2.309 -15.300 1.00 0.00 ? 27 HIS A CB 7 ATOM 4275 C CG . HIS A 1 27 ? -3.881 -2.442 -16.448 1.00 0.00 ? 27 HIS A CG 7 ATOM 4276 N ND1 . HIS A 1 27 ? -5.210 -2.774 -16.289 1.00 0.00 ? 27 HIS A ND1 7 ATOM 4277 C CD2 . HIS A 1 27 ? -3.691 -2.284 -17.779 1.00 0.00 ? 27 HIS A CD2 7 ATOM 4278 C CE1 . HIS A 1 27 ? -5.796 -2.816 -17.472 1.00 0.00 ? 27 HIS A CE1 7 ATOM 4279 N NE2 . HIS A 1 27 ? -4.896 -2.522 -18.393 1.00 0.00 ? 27 HIS A NE2 7 ATOM 4280 H H . HIS A 1 27 ? -1.675 0.316 -16.465 1.00 0.00 ? 27 HIS A H 7 ATOM 4281 H HA . HIS A 1 27 ? -3.446 -0.239 -15.146 1.00 0.00 ? 27 HIS A HA 7 ATOM 4282 H HB2 . HIS A 1 27 ? -2.022 -2.836 -15.559 1.00 0.00 ? 27 HIS A HB2 7 ATOM 4283 H HB3 . HIS A 1 27 ? -3.379 -2.779 -14.438 1.00 0.00 ? 27 HIS A HB3 7 ATOM 4284 H HD1 . HIS A 1 27 ? -5.656 -2.954 -15.435 1.00 0.00 ? 27 HIS A HD1 7 ATOM 4285 H HD2 . HIS A 1 27 ? -2.764 -2.020 -18.268 1.00 0.00 ? 27 HIS A HD2 7 ATOM 4286 H HE1 . HIS A 1 27 ? -6.834 -3.050 -17.655 1.00 0.00 ? 27 HIS A HE1 7 ATOM 4287 N N . CYS A 1 28 ? -1.791 0.443 -13.070 1.00 0.00 ? 28 CYS A N 7 ATOM 4288 C CA . CYS A 1 28 ? -1.405 0.682 -11.685 1.00 0.00 ? 28 CYS A CA 7 ATOM 4289 C C . CYS A 1 28 ? -2.335 1.698 -11.028 1.00 0.00 ? 28 CYS A C 7 ATOM 4290 O O . CYS A 1 28 ? -2.420 1.776 -9.802 1.00 0.00 ? 28 CYS A O 7 ATOM 4291 C CB . CYS A 1 28 ? 0.041 1.178 -11.615 1.00 0.00 ? 28 CYS A CB 7 ATOM 4292 S SG . CYS A 1 28 ? 0.957 0.596 -10.153 1.00 0.00 ? 28 CYS A SG 7 ATOM 4293 H H . CYS A 1 28 ? -1.740 1.181 -13.714 1.00 0.00 ? 28 CYS A H 7 ATOM 4294 H HA . CYS A 1 28 ? -1.481 -0.254 -11.153 1.00 0.00 ? 28 CYS A HA 7 ATOM 4295 H HB2 . CYS A 1 28 ? 0.573 0.838 -12.492 1.00 0.00 ? 28 CYS A HB2 7 ATOM 4296 H HB3 . CYS A 1 28 ? 0.042 2.258 -11.596 1.00 0.00 ? 28 CYS A HB3 7 ATOM 4297 N N . PHE A 1 29 ? -3.030 2.475 -11.852 1.00 0.00 ? 29 PHE A N 7 ATOM 4298 C CA . PHE A 1 29 ? -3.954 3.486 -11.352 1.00 0.00 ? 29 PHE A CA 7 ATOM 4299 C C . PHE A 1 29 ? -5.383 3.182 -11.791 1.00 0.00 ? 29 PHE A C 7 ATOM 4300 O O . PHE A 1 29 ? -6.345 3.608 -11.152 1.00 0.00 ? 29 PHE A O 7 ATOM 4301 C CB . PHE A 1 29 ? -3.540 4.874 -11.846 1.00 0.00 ? 29 PHE A CB 7 ATOM 4302 C CG . PHE A 1 29 ? -2.413 5.479 -11.059 1.00 0.00 ? 29 PHE A CG 7 ATOM 4303 C CD1 . PHE A 1 29 ? -1.217 4.798 -10.900 1.00 0.00 ? 29 PHE A CD1 7 ATOM 4304 C CD2 . PHE A 1 29 ? -2.550 6.730 -10.479 1.00 0.00 ? 29 PHE A CD2 7 ATOM 4305 C CE1 . PHE A 1 29 ? -0.179 5.353 -10.176 1.00 0.00 ? 29 PHE A CE1 7 ATOM 4306 C CE2 . PHE A 1 29 ? -1.515 7.290 -9.753 1.00 0.00 ? 29 PHE A CE2 7 ATOM 4307 C CZ . PHE A 1 29 ? -0.328 6.601 -9.603 1.00 0.00 ? 29 PHE A CZ 7 ATOM 4308 H H . PHE A 1 29 ? -2.919 2.365 -12.820 1.00 0.00 ? 29 PHE A H 7 ATOM 4309 H HA . PHE A 1 29 ? -3.910 3.470 -10.274 1.00 0.00 ? 29 PHE A HA 7 ATOM 4310 H HB2 . PHE A 1 29 ? -3.224 4.802 -12.876 1.00 0.00 ? 29 PHE A HB2 7 ATOM 4311 H HB3 . PHE A 1 29 ? -4.388 5.539 -11.780 1.00 0.00 ? 29 PHE A HB3 7 ATOM 4312 H HD1 . PHE A 1 29 ? -1.099 3.823 -11.349 1.00 0.00 ? 29 PHE A HD1 7 ATOM 4313 H HD2 . PHE A 1 29 ? -3.479 7.270 -10.596 1.00 0.00 ? 29 PHE A HD2 7 ATOM 4314 H HE1 . PHE A 1 29 ? 0.748 4.812 -10.060 1.00 0.00 ? 29 PHE A HE1 7 ATOM 4315 H HE2 . PHE A 1 29 ? -1.635 8.266 -9.307 1.00 0.00 ? 29 PHE A HE2 7 ATOM 4316 H HZ . PHE A 1 29 ? 0.482 7.036 -9.036 1.00 0.00 ? 29 PHE A HZ 7 ATOM 4317 N N . GLY A 1 30 ? -5.514 2.443 -12.889 1.00 0.00 ? 30 GLY A N 7 ATOM 4318 C CA . GLY A 1 30 ? -6.829 2.096 -13.397 1.00 0.00 ? 30 GLY A CA 7 ATOM 4319 C C . GLY A 1 30 ? -7.295 3.035 -14.490 1.00 0.00 ? 30 GLY A C 7 ATOM 4320 O O . GLY A 1 30 ? -8.495 3.189 -14.717 1.00 0.00 ? 30 GLY A O 7 ATOM 4321 H H . GLY A 1 30 ? -4.712 2.132 -13.358 1.00 0.00 ? 30 GLY A H 7 ATOM 4322 H HA2 . GLY A 1 30 ? -6.796 1.090 -13.789 1.00 0.00 ? 30 GLY A HA2 7 ATOM 4323 H HA3 . GLY A 1 30 ? -7.537 2.131 -12.582 1.00 0.00 ? 30 GLY A HA3 7 ATOM 4324 N N . VAL A 1 31 ? -6.344 3.668 -15.170 1.00 0.00 ? 31 VAL A N 7 ATOM 4325 C CA . VAL A 1 31 ? -6.664 4.599 -16.246 1.00 0.00 ? 31 VAL A CA 7 ATOM 4326 C C . VAL A 1 31 ? -6.462 3.951 -17.611 1.00 0.00 ? 31 VAL A C 7 ATOM 4327 O O . VAL A 1 31 ? -7.186 4.243 -18.563 1.00 0.00 ? 31 VAL A O 7 ATOM 4328 C CB . VAL A 1 31 ? -5.801 5.872 -16.162 1.00 0.00 ? 31 VAL A CB 7 ATOM 4329 C CG1 . VAL A 1 31 ? -6.085 6.626 -14.872 1.00 0.00 ? 31 VAL A CG1 7 ATOM 4330 C CG2 . VAL A 1 31 ? -4.324 5.522 -16.271 1.00 0.00 ? 31 VAL A CG2 7 ATOM 4331 H H . VAL A 1 31 ? -5.405 3.505 -14.943 1.00 0.00 ? 31 VAL A H 7 ATOM 4332 H HA . VAL A 1 31 ? -7.701 4.885 -16.144 1.00 0.00 ? 31 VAL A HA 7 ATOM 4333 H HB . VAL A 1 31 ? -6.059 6.513 -16.992 1.00 0.00 ? 31 VAL A HB 7 ATOM 4334 H HG11 . VAL A 1 31 ? -5.313 7.363 -14.708 1.00 0.00 ? 31 VAL A HG11 7 ATOM 4335 H HG12 . VAL A 1 31 ? -7.044 7.118 -14.946 1.00 0.00 ? 31 VAL A HG12 7 ATOM 4336 H HG13 . VAL A 1 31 ? -6.099 5.931 -14.045 1.00 0.00 ? 31 VAL A HG13 7 ATOM 4337 H HG21 . VAL A 1 31 ? -3.732 6.418 -16.154 1.00 0.00 ? 31 VAL A HG21 7 ATOM 4338 H HG22 . VAL A 1 31 ? -4.065 4.815 -15.497 1.00 0.00 ? 31 VAL A HG22 7 ATOM 4339 H HG23 . VAL A 1 31 ? -4.128 5.084 -17.239 1.00 0.00 ? 31 VAL A HG23 7 ATOM 4340 N N . LYS A 1 32 ? -5.474 3.068 -17.701 1.00 0.00 ? 32 LYS A N 7 ATOM 4341 C CA . LYS A 1 32 ? -5.176 2.375 -18.949 1.00 0.00 ? 32 LYS A CA 7 ATOM 4342 C C . LYS A 1 32 ? -6.404 1.629 -19.463 1.00 0.00 ? 32 LYS A C 7 ATOM 4343 O O . LYS A 1 32 ? -6.986 0.808 -18.753 1.00 0.00 ? 32 LYS A O 7 ATOM 4344 C CB . LYS A 1 32 ? -4.018 1.395 -18.749 1.00 0.00 ? 32 LYS A CB 7 ATOM 4345 C CG . LYS A 1 32 ? -3.646 0.628 -20.006 1.00 0.00 ? 32 LYS A CG 7 ATOM 4346 C CD . LYS A 1 32 ? -2.680 1.415 -20.875 1.00 0.00 ? 32 LYS A CD 7 ATOM 4347 C CE . LYS A 1 32 ? -3.403 2.472 -21.696 1.00 0.00 ? 32 LYS A CE 7 ATOM 4348 N NZ . LYS A 1 32 ? -2.847 2.580 -23.074 1.00 0.00 ? 32 LYS A NZ 7 ATOM 4349 H H . LYS A 1 32 ? -4.931 2.876 -16.907 1.00 0.00 ? 32 LYS A H 7 ATOM 4350 H HA . LYS A 1 32 ? -4.888 3.116 -19.679 1.00 0.00 ? 32 LYS A HA 7 ATOM 4351 H HB2 . LYS A 1 32 ? -3.149 1.946 -18.419 1.00 0.00 ? 32 LYS A HB2 7 ATOM 4352 H HB3 . LYS A 1 32 ? -4.293 0.682 -17.985 1.00 0.00 ? 32 LYS A HB3 7 ATOM 4353 H HG2 . LYS A 1 32 ? -3.181 -0.305 -19.723 1.00 0.00 ? 32 LYS A HG2 7 ATOM 4354 H HG3 . LYS A 1 32 ? -4.544 0.427 -20.573 1.00 0.00 ? 32 LYS A HG3 7 ATOM 4355 H HD2 . LYS A 1 32 ? -1.954 1.903 -20.241 1.00 0.00 ? 32 LYS A HD2 7 ATOM 4356 H HD3 . LYS A 1 32 ? -2.175 0.734 -21.545 1.00 0.00 ? 32 LYS A HD3 7 ATOM 4357 H HE2 . LYS A 1 32 ? -4.447 2.208 -21.759 1.00 0.00 ? 32 LYS A HE2 7 ATOM 4358 H HE3 . LYS A 1 32 ? -3.302 3.426 -21.201 1.00 0.00 ? 32 LYS A HE3 7 ATOM 4359 H HZ1 . LYS A 1 32 ? -2.639 3.573 -23.298 1.00 0.00 ? 32 LYS A HZ1 7 ATOM 4360 H HZ2 . LYS A 1 32 ? -3.533 2.215 -23.765 1.00 0.00 ? 32 LYS A HZ2 7 ATOM 4361 H HZ3 . LYS A 1 32 ? -1.970 2.027 -23.149 1.00 0.00 ? 32 LYS A HZ3 7 ATOM 4362 N N . HIS A 1 33 ? -6.791 1.918 -20.701 1.00 0.00 ? 33 HIS A N 7 ATOM 4363 C CA . HIS A 1 33 ? -7.948 1.273 -21.311 1.00 0.00 ? 33 HIS A CA 7 ATOM 4364 C C . HIS A 1 33 ? -7.602 -0.140 -21.772 1.00 0.00 ? 33 HIS A C 7 ATOM 4365 O O . HIS A 1 33 ? -6.482 -0.611 -21.573 1.00 0.00 ? 33 HIS A O 7 ATOM 4366 C CB . HIS A 1 33 ? -8.454 2.098 -22.494 1.00 0.00 ? 33 HIS A CB 7 ATOM 4367 C CG . HIS A 1 33 ? -7.407 2.361 -23.533 1.00 0.00 ? 33 HIS A CG 7 ATOM 4368 N ND1 . HIS A 1 33 ? -6.778 3.580 -23.675 1.00 0.00 ? 33 HIS A ND1 7 ATOM 4369 C CD2 . HIS A 1 33 ? -6.879 1.553 -24.481 1.00 0.00 ? 33 HIS A CD2 7 ATOM 4370 C CE1 . HIS A 1 33 ? -5.909 3.510 -24.668 1.00 0.00 ? 33 HIS A CE1 7 ATOM 4371 N NE2 . HIS A 1 33 ? -5.950 2.291 -25.174 1.00 0.00 ? 33 HIS A NE2 7 ATOM 4372 H H . HIS A 1 33 ? -6.286 2.581 -21.217 1.00 0.00 ? 33 HIS A H 7 ATOM 4373 H HA . HIS A 1 33 ? -8.726 1.214 -20.565 1.00 0.00 ? 33 HIS A HA 7 ATOM 4374 H HB2 . HIS A 1 33 ? -9.268 1.571 -22.970 1.00 0.00 ? 33 HIS A HB2 7 ATOM 4375 H HB3 . HIS A 1 33 ? -8.811 3.052 -22.133 1.00 0.00 ? 33 HIS A HB3 7 ATOM 4376 H HD1 . HIS A 1 33 ? -6.945 4.377 -23.131 1.00 0.00 ? 33 HIS A HD1 7 ATOM 4377 H HD2 . HIS A 1 33 ? -7.139 0.519 -24.662 1.00 0.00 ? 33 HIS A HD2 7 ATOM 4378 H HE1 . HIS A 1 33 ? -5.272 4.313 -25.008 1.00 0.00 ? 33 HIS A HE1 7 ATOM 4379 N N . SER A 1 34 ? -8.571 -0.810 -22.387 1.00 0.00 ? 34 SER A N 7 ATOM 4380 C CA . SER A 1 34 ? -8.370 -2.171 -22.872 1.00 0.00 ? 34 SER A CA 7 ATOM 4381 C C . SER A 1 34 ? -8.213 -2.189 -24.390 1.00 0.00 ? 34 SER A C 7 ATOM 4382 O O . SER A 1 34 ? -9.103 -1.755 -25.122 1.00 0.00 ? 34 SER A O 7 ATOM 4383 C CB . SER A 1 34 ? -9.544 -3.061 -22.458 1.00 0.00 ? 34 SER A CB 7 ATOM 4384 O OG . SER A 1 34 ? -10.768 -2.349 -22.513 1.00 0.00 ? 34 SER A OG 7 ATOM 4385 H H . SER A 1 34 ? -9.442 -0.380 -22.516 1.00 0.00 ? 34 SER A H 7 ATOM 4386 H HA . SER A 1 34 ? -7.464 -2.552 -22.424 1.00 0.00 ? 34 SER A HA 7 ATOM 4387 H HB2 . SER A 1 34 ? -9.603 -3.907 -23.126 1.00 0.00 ? 34 SER A HB2 7 ATOM 4388 H HB3 . SER A 1 34 ? -9.388 -3.409 -21.447 1.00 0.00 ? 34 SER A HB3 7 ATOM 4389 H HG . SER A 1 34 ? -10.983 -2.014 -21.640 1.00 0.00 ? 34 SER A HG 7 ATOM 4390 N N . SER A 1 35 ? -7.076 -2.695 -24.855 1.00 0.00 ? 35 SER A N 7 ATOM 4391 C CA . SER A 1 35 ? -6.799 -2.767 -26.285 1.00 0.00 ? 35 SER A CA 7 ATOM 4392 C C . SER A 1 35 ? -7.337 -4.066 -26.877 1.00 0.00 ? 35 SER A C 7 ATOM 4393 O O . SER A 1 35 ? -7.661 -4.134 -28.062 1.00 0.00 ? 35 SER A O 7 ATOM 4394 C CB . SER A 1 35 ? -5.295 -2.660 -26.541 1.00 0.00 ? 35 SER A CB 7 ATOM 4395 O OG . SER A 1 35 ? -4.778 -1.438 -26.044 1.00 0.00 ? 35 SER A OG 7 ATOM 4396 H H . SER A 1 35 ? -6.405 -3.025 -24.221 1.00 0.00 ? 35 SER A H 7 ATOM 4397 H HA . SER A 1 35 ? -7.297 -1.935 -26.761 1.00 0.00 ? 35 SER A HA 7 ATOM 4398 H HB2 . SER A 1 35 ? -4.790 -3.477 -26.049 1.00 0.00 ? 35 SER A HB2 7 ATOM 4399 H HB3 . SER A 1 35 ? -5.109 -2.710 -27.604 1.00 0.00 ? 35 SER A HB3 7 ATOM 4400 H HG . SER A 1 35 ? -4.754 -1.467 -25.085 1.00 0.00 ? 35 SER A HG 7 ATOM 4401 N N . GLY A 1 36 ? -7.428 -5.097 -26.042 1.00 0.00 ? 36 GLY A N 7 ATOM 4402 C CA . GLY A 1 36 ? -7.926 -6.381 -26.500 1.00 0.00 ? 36 GLY A CA 7 ATOM 4403 C C . GLY A 1 36 ? -6.846 -7.223 -27.150 1.00 0.00 ? 36 GLY A C 7 ATOM 4404 O O . GLY A 1 36 ? -6.652 -7.167 -28.364 1.00 0.00 ? 36 GLY A O 7 ATOM 4405 H H . GLY A 1 36 ? -7.154 -4.985 -25.107 1.00 0.00 ? 36 GLY A H 7 ATOM 4406 H HA2 . GLY A 1 36 ? -8.329 -6.920 -25.656 1.00 0.00 ? 36 GLY A HA2 7 ATOM 4407 H HA3 . GLY A 1 36 ? -8.715 -6.213 -27.217 1.00 0.00 ? 36 GLY A HA3 7 ATOM 4408 N N . GLY A 1 37 ? -6.139 -8.006 -26.340 1.00 0.00 ? 37 GLY A N 7 ATOM 4409 C CA . GLY A 1 37 ? -5.081 -8.851 -26.861 1.00 0.00 ? 37 GLY A CA 7 ATOM 4410 C C . GLY A 1 37 ? -5.198 -10.286 -26.388 1.00 0.00 ? 37 GLY A C 7 ATOM 4411 O O . GLY A 1 37 ? -4.217 -11.028 -26.386 1.00 0.00 ? 37 GLY A O 7 ATOM 4412 H H . GLY A 1 37 ? -6.338 -8.009 -25.380 1.00 0.00 ? 37 GLY A H 7 ATOM 4413 H HA2 . GLY A 1 37 ? -5.120 -8.834 -27.940 1.00 0.00 ? 37 GLY A HA2 7 ATOM 4414 H HA3 . GLY A 1 37 ? -4.129 -8.455 -26.540 1.00 0.00 ? 37 GLY A HA3 7 ATOM 4415 N N . GLY A 1 38 ? -6.402 -10.677 -25.983 1.00 0.00 ? 38 GLY A N 7 ATOM 4416 C CA . GLY A 1 38 ? -6.622 -12.031 -25.509 1.00 0.00 ? 38 GLY A CA 7 ATOM 4417 C C . GLY A 1 38 ? -6.652 -12.118 -23.996 1.00 0.00 ? 38 GLY A C 7 ATOM 4418 O O . GLY A 1 38 ? -7.172 -13.080 -23.432 1.00 0.00 ? 38 GLY A O 7 ATOM 4419 H H . GLY A 1 38 ? -7.148 -10.042 -26.006 1.00 0.00 ? 38 GLY A H 7 ATOM 4420 H HA2 . GLY A 1 38 ? -7.563 -12.390 -25.898 1.00 0.00 ? 38 GLY A HA2 7 ATOM 4421 H HA3 . GLY A 1 38 ? -5.827 -12.663 -25.878 1.00 0.00 ? 38 GLY A HA3 7 ATOM 4422 N N . GLY A 1 39 ? -6.091 -11.109 -23.335 1.00 0.00 ? 39 GLY A N 7 ATOM 4423 C CA . GLY A 1 39 ? -6.065 -11.096 -21.884 1.00 0.00 ? 39 GLY A CA 7 ATOM 4424 C C . GLY A 1 39 ? -7.150 -10.218 -21.293 1.00 0.00 ? 39 GLY A C 7 ATOM 4425 O O . GLY A 1 39 ? -8.334 -10.549 -21.365 1.00 0.00 ? 39 GLY A O 7 ATOM 4426 H H . GLY A 1 39 ? -5.692 -10.368 -23.837 1.00 0.00 ? 39 GLY A H 7 ATOM 4427 H HA2 . GLY A 1 39 ? -6.196 -12.105 -21.523 1.00 0.00 ? 39 GLY A HA2 7 ATOM 4428 H HA3 . GLY A 1 39 ? -5.103 -10.729 -21.556 1.00 0.00 ? 39 GLY A HA3 7 ATOM 4429 N N . SER A 1 40 ? -6.747 -9.096 -20.705 1.00 0.00 ? 40 SER A N 7 ATOM 4430 C CA . SER A 1 40 ? -7.694 -8.171 -20.094 1.00 0.00 ? 40 SER A CA 7 ATOM 4431 C C . SER A 1 40 ? -8.558 -8.883 -19.058 1.00 0.00 ? 40 SER A C 7 ATOM 4432 O O . SER A 1 40 ? -9.772 -8.686 -19.005 1.00 0.00 ? 40 SER A O 7 ATOM 4433 C CB . SER A 1 40 ? -8.582 -7.535 -21.165 1.00 0.00 ? 40 SER A CB 7 ATOM 4434 O OG . SER A 1 40 ? -7.864 -6.570 -21.915 1.00 0.00 ? 40 SER A OG 7 ATOM 4435 H H . SER A 1 40 ? -5.790 -8.888 -20.680 1.00 0.00 ? 40 SER A H 7 ATOM 4436 H HA . SER A 1 40 ? -7.127 -7.395 -19.600 1.00 0.00 ? 40 SER A HA 7 ATOM 4437 H HB2 . SER A 1 40 ? -8.939 -8.302 -21.835 1.00 0.00 ? 40 SER A HB2 7 ATOM 4438 H HB3 . SER A 1 40 ? -9.423 -7.051 -20.690 1.00 0.00 ? 40 SER A HB3 7 ATOM 4439 H HG . SER A 1 40 ? -7.211 -7.012 -22.464 1.00 0.00 ? 40 SER A HG 7 ATOM 4440 N N . TYR A 1 41 ? -7.924 -9.712 -18.237 1.00 0.00 ? 41 TYR A N 7 ATOM 4441 C CA . TYR A 1 41 ? -8.634 -10.457 -17.204 1.00 0.00 ? 41 TYR A CA 7 ATOM 4442 C C . TYR A 1 41 ? -9.105 -9.528 -16.089 1.00 0.00 ? 41 TYR A C 7 ATOM 4443 O O . TYR A 1 41 ? -8.574 -8.431 -15.912 1.00 0.00 ? 41 TYR A O 7 ATOM 4444 C CB . TYR A 1 41 ? -7.735 -11.551 -16.625 1.00 0.00 ? 41 TYR A CB 7 ATOM 4445 C CG . TYR A 1 41 ? -8.495 -12.759 -16.126 1.00 0.00 ? 41 TYR A CG 7 ATOM 4446 C CD1 . TYR A 1 41 ? -8.962 -12.819 -14.819 1.00 0.00 ? 41 TYR A CD1 7 ATOM 4447 C CD2 . TYR A 1 41 ? -8.746 -13.840 -16.961 1.00 0.00 ? 41 TYR A CD2 7 ATOM 4448 C CE1 . TYR A 1 41 ? -9.656 -13.921 -14.358 1.00 0.00 ? 41 TYR A CE1 7 ATOM 4449 C CE2 . TYR A 1 41 ? -9.441 -14.945 -16.510 1.00 0.00 ? 41 TYR A CE2 7 ATOM 4450 C CZ . TYR A 1 41 ? -9.894 -14.981 -15.208 1.00 0.00 ? 41 TYR A CZ 7 ATOM 4451 O OH . TYR A 1 41 ? -10.585 -16.081 -14.754 1.00 0.00 ? 41 TYR A OH 7 ATOM 4452 H H . TYR A 1 41 ? -6.955 -9.828 -18.328 1.00 0.00 ? 41 TYR A H 7 ATOM 4453 H HA . TYR A 1 41 ? -9.496 -10.919 -17.661 1.00 0.00 ? 41 TYR A HA 7 ATOM 4454 H HB2 . TYR A 1 41 ? -7.048 -11.884 -17.387 1.00 0.00 ? 41 TYR A HB2 7 ATOM 4455 H HB3 . TYR A 1 41 ? -7.175 -11.145 -15.795 1.00 0.00 ? 41 TYR A HB3 7 ATOM 4456 H HD1 . TYR A 1 41 ? -8.774 -11.987 -14.155 1.00 0.00 ? 41 TYR A HD1 7 ATOM 4457 H HD2 . TYR A 1 41 ? -8.389 -13.809 -17.981 1.00 0.00 ? 41 TYR A HD2 7 ATOM 4458 H HE1 . TYR A 1 41 ? -10.011 -13.949 -13.338 1.00 0.00 ? 41 TYR A HE1 7 ATOM 4459 H HE2 . TYR A 1 41 ? -9.626 -15.776 -17.175 1.00 0.00 ? 41 TYR A HE2 7 ATOM 4460 H HH . TYR A 1 41 ? -10.159 -16.423 -13.965 1.00 0.00 ? 41 TYR A HH 7 ATOM 4461 N N . HIS A 1 42 ? -10.107 -9.976 -15.339 1.00 0.00 ? 42 HIS A N 7 ATOM 4462 C CA . HIS A 1 42 ? -10.651 -9.186 -14.239 1.00 0.00 ? 42 HIS A CA 7 ATOM 4463 C C . HIS A 1 42 ? -9.999 -9.576 -12.916 1.00 0.00 ? 42 HIS A C 7 ATOM 4464 O O . HIS A 1 42 ? -10.663 -9.643 -11.881 1.00 0.00 ? 42 HIS A O 7 ATOM 4465 C CB . HIS A 1 42 ? -12.166 -9.373 -14.150 1.00 0.00 ? 42 HIS A CB 7 ATOM 4466 C CG . HIS A 1 42 ? -12.929 -8.564 -15.152 1.00 0.00 ? 42 HIS A CG 7 ATOM 4467 N ND1 . HIS A 1 42 ? -12.421 -8.220 -16.387 1.00 0.00 ? 42 HIS A ND1 7 ATOM 4468 C CD2 . HIS A 1 42 ? -14.172 -8.031 -15.097 1.00 0.00 ? 42 HIS A CD2 7 ATOM 4469 C CE1 . HIS A 1 42 ? -13.317 -7.510 -17.048 1.00 0.00 ? 42 HIS A CE1 7 ATOM 4470 N NE2 . HIS A 1 42 ? -14.389 -7.381 -16.287 1.00 0.00 ? 42 HIS A NE2 7 ATOM 4471 H H . HIS A 1 42 ? -10.489 -10.858 -15.528 1.00 0.00 ? 42 HIS A H 7 ATOM 4472 H HA . HIS A 1 42 ? -10.436 -8.147 -14.440 1.00 0.00 ? 42 HIS A HA 7 ATOM 4473 H HB2 . HIS A 1 42 ? -12.403 -10.414 -14.314 1.00 0.00 ? 42 HIS A HB2 7 ATOM 4474 H HB3 . HIS A 1 42 ? -12.500 -9.083 -13.164 1.00 0.00 ? 42 HIS A HB3 7 ATOM 4475 H HD1 . HIS A 1 42 ? -11.534 -8.461 -16.728 1.00 0.00 ? 42 HIS A HD1 7 ATOM 4476 H HD2 . HIS A 1 42 ? -14.866 -8.102 -14.271 1.00 0.00 ? 42 HIS A HD2 7 ATOM 4477 H HE1 . HIS A 1 42 ? -13.195 -7.104 -18.041 1.00 0.00 ? 42 HIS A HE1 7 ATOM 4478 N N . CYS A 1 43 ? -8.696 -9.832 -12.957 1.00 0.00 ? 43 CYS A N 7 ATOM 4479 C CA . CYS A 1 43 ? -7.954 -10.216 -11.762 1.00 0.00 ? 43 CYS A CA 7 ATOM 4480 C C . CYS A 1 43 ? -7.093 -9.060 -11.261 1.00 0.00 ? 43 CYS A C 7 ATOM 4481 O O . CYS A 1 43 ? -6.033 -8.806 -11.831 1.00 0.00 ? 43 CYS A O 7 ATOM 4482 C CB . CYS A 1 43 ? -7.073 -11.433 -12.053 1.00 0.00 ? 43 CYS A CB 7 ATOM 4483 S SG . CYS A 1 43 ? -6.200 -12.085 -10.593 1.00 0.00 ? 43 CYS A SG 7 ATOM 4484 H H . CYS A 1 43 ? -8.221 -9.761 -13.812 1.00 0.00 ? 43 CYS A H 7 ATOM 4485 H HA . CYS A 1 43 ? -8.669 -10.475 -10.996 1.00 0.00 ? 43 CYS A HA 7 ATOM 4486 H HB2 . CYS A 1 43 ? -7.689 -12.228 -12.448 1.00 0.00 ? 43 CYS A HB2 7 ATOM 4487 H HB3 . CYS A 1 43 ? -6.329 -11.162 -12.788 1.00 0.00 ? 43 CYS A HB3 7 HETATM 4488 C C1 . NAG B 2 . ? 6.028 19.371 -20.718 1.00 0.00 ? 101 NAG A C1 7 HETATM 4489 C C2 . NAG B 2 . ? 6.449 20.440 -19.709 1.00 0.00 ? 101 NAG A C2 7 HETATM 4490 C C3 . NAG B 2 . ? 6.892 21.697 -20.466 1.00 0.00 ? 101 NAG A C3 7 HETATM 4491 C C4 . NAG B 2 . ? 7.965 21.302 -21.487 1.00 0.00 ? 101 NAG A C4 7 HETATM 4492 C C5 . NAG B 2 . ? 7.428 20.166 -22.362 1.00 0.00 ? 101 NAG A C5 7 HETATM 4493 C C6 . NAG B 2 . ? 8.482 19.788 -23.405 1.00 0.00 ? 101 NAG A C6 7 HETATM 4494 C C7 . NAG B 2 . ? 5.131 20.086 -17.691 1.00 0.00 ? 101 NAG A C7 7 HETATM 4495 C C8 . NAG B 2 . ? 3.968 20.422 -16.795 1.00 0.00 ? 101 NAG A C8 7 HETATM 4496 N N2 . NAG B 2 . ? 5.318 20.767 -18.838 1.00 0.00 ? 101 NAG A N2 7 HETATM 4497 O O3 . NAG B 2 . ? 7.432 22.652 -19.550 1.00 0.00 ? 101 NAG A O3 7 HETATM 4498 O O4 . NAG B 2 . ? 8.286 22.426 -22.307 1.00 0.00 ? 101 NAG A O4 7 HETATM 4499 O O5 . NAG B 2 . ? 7.133 19.031 -21.552 1.00 0.00 ? 101 NAG A O5 7 HETATM 4500 O O6 . NAG B 2 . ? 7.981 18.732 -24.227 1.00 0.00 ? 101 NAG A O6 7 HETATM 4501 O O7 . NAG B 2 . ? 5.901 19.202 -17.379 1.00 0.00 ? 101 NAG A O7 7 HETATM 4502 H H1 . NAG B 2 . ? 5.210 19.762 -21.341 1.00 0.00 ? 101 NAG A H1 7 HETATM 4503 H H2 . NAG B 2 . ? 7.281 20.063 -19.096 1.00 0.00 ? 101 NAG A H2 7 HETATM 4504 H H3 . NAG B 2 . ? 6.028 22.146 -20.979 1.00 0.00 ? 101 NAG A H3 7 HETATM 4505 H H4 . NAG B 2 . ? 8.871 20.969 -20.960 1.00 0.00 ? 101 NAG A H4 7 HETATM 4506 H H5 . NAG B 2 . ? 6.510 20.500 -22.867 1.00 0.00 ? 101 NAG A H5 7 HETATM 4507 H H61 . NAG B 2 . ? 8.732 20.663 -24.024 1.00 0.00 ? 101 NAG A H61 7 HETATM 4508 H H62 . NAG B 2 . ? 9.410 19.471 -22.906 1.00 0.00 ? 101 NAG A H62 7 HETATM 4509 H H81 . NAG B 2 . ? 3.921 21.510 -16.647 1.00 0.00 ? 101 NAG A H81 7 HETATM 4510 H H82 . NAG B 2 . ? 3.034 20.075 -17.261 1.00 0.00 ? 101 NAG A H82 7 HETATM 4511 H H83 . NAG B 2 . ? 4.098 19.925 -15.822 1.00 0.00 ? 101 NAG A H83 7 HETATM 4512 H HN2 . NAG B 2 . ? 4.684 21.495 -19.096 1.00 0.00 ? 101 NAG A HN2 7 HETATM 4513 H HO3 . NAG B 2 . ? 7.720 23.468 -20.051 1.00 0.00 ? 101 NAG A HO3 7 HETATM 4514 H HO4 . NAG B 2 . ? 9.239 22.362 -22.603 1.00 0.00 ? 101 NAG A HO4 7 HETATM 4515 H HO6 . NAG B 2 . ? 7.423 18.114 -23.672 1.00 0.00 ? 101 NAG A HO6 7 HETATM 4516 C C1 . NAG C 2 . ? -6.460 -12.228 -8.628 1.00 0.00 ? 102 NAG A C1 7 HETATM 4517 C C2 . NAG C 2 . ? -6.335 -11.987 -7.123 1.00 0.00 ? 102 NAG A C2 7 HETATM 4518 C C3 . NAG C 2 . ? -6.860 -13.215 -6.372 1.00 0.00 ? 102 NAG A C3 7 HETATM 4519 C C4 . NAG C 2 . ? -8.276 -13.525 -6.870 1.00 0.00 ? 102 NAG A C4 7 HETATM 4520 C C5 . NAG C 2 . ? -8.254 -13.650 -8.395 1.00 0.00 ? 102 NAG A C5 7 HETATM 4521 C C6 . NAG C 2 . ? -9.659 -13.991 -8.896 1.00 0.00 ? 102 NAG A C6 7 HETATM 4522 C C7 . NAG C 2 . ? -4.420 -10.518 -6.785 1.00 0.00 ? 102 NAG A C7 7 HETATM 4523 C C8 . NAG C 2 . ? -2.974 -10.291 -6.429 1.00 0.00 ? 102 NAG A C8 7 HETATM 4524 N N2 . NAG C 2 . ? -4.929 -11.766 -6.776 1.00 0.00 ? 102 NAG A N2 7 HETATM 4525 O O3 . NAG C 2 . ? -6.893 -12.951 -4.969 1.00 0.00 ? 102 NAG A O3 7 HETATM 4526 O O4 . NAG C 2 . ? -8.730 -14.752 -6.297 1.00 0.00 ? 102 NAG A O4 7 HETATM 4527 O O5 . NAG C 2 . ? -7.830 -12.418 -8.974 1.00 0.00 ? 102 NAG A O5 7 HETATM 4528 O O6 . NAG C 2 . ? -9.640 -14.114 -10.320 1.00 0.00 ? 102 NAG A O6 7 HETATM 4529 O O7 . NAG C 2 . ? -5.127 -9.578 -7.080 1.00 0.00 ? 102 NAG A O7 7 HETATM 4530 H H1 . NAG C 2 . ? -5.888 -13.128 -8.900 1.00 0.00 ? 102 NAG A H1 7 HETATM 4531 H H2 . NAG C 2 . ? -6.921 -11.100 -6.840 1.00 0.00 ? 102 NAG A H2 7 HETATM 4532 H H3 . NAG C 2 . ? -6.198 -14.074 -6.557 1.00 0.00 ? 102 NAG A H3 7 HETATM 4533 H H4 . NAG C 2 . ? -8.958 -12.714 -6.572 1.00 0.00 ? 102 NAG A H4 7 HETATM 4534 H H5 . NAG C 2 . ? -7.555 -14.447 -8.685 1.00 0.00 ? 102 NAG A H5 7 HETATM 4535 H H61 . NAG C 2 . ? -10.005 -14.931 -8.440 1.00 0.00 ? 102 NAG A H61 7 HETATM 4536 H H62 . NAG C 2 . ? -10.369 -13.206 -8.594 1.00 0.00 ? 102 NAG A H62 7 HETATM 4537 H H81 . NAG C 2 . ? -2.671 -9.284 -6.751 1.00 0.00 ? 102 NAG A H81 7 HETATM 4538 H H82 . NAG C 2 . ? -2.846 -10.381 -5.340 1.00 0.00 ? 102 NAG A H82 7 HETATM 4539 H H83 . NAG C 2 . ? -2.348 -11.041 -6.934 1.00 0.00 ? 102 NAG A H83 7 HETATM 4540 H HN2 . NAG C 2 . ? -4.347 -12.541 -6.533 1.00 0.00 ? 102 NAG A HN2 7 HETATM 4541 H HO3 . NAG C 2 . ? -7.238 -13.756 -4.485 1.00 0.00 ? 102 NAG A HO3 7 HETATM 4542 H HO4 . NAG C 2 . ? -9.725 -14.725 -6.195 1.00 0.00 ? 102 NAG A HO4 7 HETATM 4543 H HO6 . NAG C 2 . ? -9.002 -13.446 -10.704 1.00 0.00 ? 102 NAG A HO6 7 ATOM 4544 N N . LYS A 1 1 ? 2.353 -1.742 -3.462 1.00 0.00 ? 1 LYS A N 8 ATOM 4545 C CA . LYS A 1 1 ? 2.750 -1.293 -4.791 1.00 0.00 ? 1 LYS A CA 8 ATOM 4546 C C . LYS A 1 1 ? 4.269 -1.218 -4.909 1.00 0.00 ? 1 LYS A C 8 ATOM 4547 O O . LYS A 1 1 ? 4.991 -1.158 -3.914 1.00 0.00 ? 1 LYS A O 8 ATOM 4548 C CB . LYS A 1 1 ? 2.136 0.076 -5.093 1.00 0.00 ? 1 LYS A CB 8 ATOM 4549 C CG . LYS A 1 1 ? 0.744 -0.001 -5.696 1.00 0.00 ? 1 LYS A CG 8 ATOM 4550 C CD . LYS A 1 1 ? -0.053 1.264 -5.421 1.00 0.00 ? 1 LYS A CD 8 ATOM 4551 C CE . LYS A 1 1 ? -1.406 1.231 -6.115 1.00 0.00 ? 1 LYS A CE 8 ATOM 4552 N NZ . LYS A 1 1 ? -2.492 0.796 -5.194 1.00 0.00 ? 1 LYS A NZ 8 ATOM 4553 H H1 . LYS A 1 1 ? 1.510 -2.230 -3.354 1.00 0.00 ? 1 LYS A H1 8 ATOM 4554 H HA . LYS A 1 1 ? 2.380 -2.010 -5.508 1.00 0.00 ? 1 LYS A HA 8 ATOM 4555 H HB2 . LYS A 1 1 ? 2.078 0.642 -4.175 1.00 0.00 ? 1 LYS A HB2 8 ATOM 4556 H HB3 . LYS A 1 1 ? 2.778 0.600 -5.788 1.00 0.00 ? 1 LYS A HB3 8 ATOM 4557 H HG2 . LYS A 1 1 ? 0.831 -0.134 -6.764 1.00 0.00 ? 1 LYS A HG2 8 ATOM 4558 H HG3 . LYS A 1 1 ? 0.223 -0.844 -5.267 1.00 0.00 ? 1 LYS A HG3 8 ATOM 4559 H HD2 . LYS A 1 1 ? -0.209 1.356 -4.357 1.00 0.00 ? 1 LYS A HD2 8 ATOM 4560 H HD3 . LYS A 1 1 ? 0.506 2.116 -5.780 1.00 0.00 ? 1 LYS A HD3 8 ATOM 4561 H HE2 . LYS A 1 1 ? -1.631 2.221 -6.482 1.00 0.00 ? 1 LYS A HE2 8 ATOM 4562 H HE3 . LYS A 1 1 ? -1.353 0.543 -6.946 1.00 0.00 ? 1 LYS A HE3 8 ATOM 4563 H HZ1 . LYS A 1 1 ? -2.744 1.570 -4.547 1.00 0.00 ? 1 LYS A HZ1 8 ATOM 4564 H HZ2 . LYS A 1 1 ? -2.177 -0.022 -4.633 1.00 0.00 ? 1 LYS A HZ2 8 ATOM 4565 H HZ3 . LYS A 1 1 ? -3.335 0.524 -5.739 1.00 0.00 ? 1 LYS A HZ3 8 ATOM 4566 N N . PRO A 1 2 ? 4.767 -1.220 -6.155 1.00 0.00 ? 2 PRO A N 8 ATOM 4567 C CA . PRO A 1 2 ? 6.205 -1.151 -6.432 1.00 0.00 ? 2 PRO A CA 8 ATOM 4568 C C . PRO A 1 2 ? 6.796 0.213 -6.093 1.00 0.00 ? 2 PRO A C 8 ATOM 4569 O O . PRO A 1 2 ? 6.143 1.043 -5.462 1.00 0.00 ? 2 PRO A O 8 ATOM 4570 C CB . PRO A 1 2 ? 6.288 -1.411 -7.938 1.00 0.00 ? 2 PRO A CB 8 ATOM 4571 C CG . PRO A 1 2 ? 4.963 -0.985 -8.470 1.00 0.00 ? 2 PRO A CG 8 ATOM 4572 C CD . PRO A 1 2 ? 3.965 -1.290 -7.388 1.00 0.00 ? 2 PRO A CD 8 ATOM 4573 H HA . PRO A 1 2 ? 6.749 -1.920 -5.902 1.00 0.00 ? 2 PRO A HA 8 ATOM 4574 H HB2 . PRO A 1 2 ? 7.092 -0.826 -8.363 1.00 0.00 ? 2 PRO A HB2 8 ATOM 4575 H HB3 . PRO A 1 2 ? 6.466 -2.461 -8.117 1.00 0.00 ? 2 PRO A HB3 8 ATOM 4576 H HG2 . PRO A 1 2 ? 4.976 0.073 -8.681 1.00 0.00 ? 2 PRO A HG2 8 ATOM 4577 H HG3 . PRO A 1 2 ? 4.730 -1.545 -9.363 1.00 0.00 ? 2 PRO A HG3 8 ATOM 4578 H HD2 . PRO A 1 2 ? 3.180 -0.549 -7.379 1.00 0.00 ? 2 PRO A HD2 8 ATOM 4579 H HD3 . PRO A 1 2 ? 3.553 -2.279 -7.523 1.00 0.00 ? 2 PRO A HD3 8 ATOM 4580 N N . ALA A 1 3 ? 8.035 0.437 -6.517 1.00 0.00 ? 3 ALA A N 8 ATOM 4581 C CA . ALA A 1 3 ? 8.713 1.702 -6.260 1.00 0.00 ? 3 ALA A CA 8 ATOM 4582 C C . ALA A 1 3 ? 8.449 2.704 -7.379 1.00 0.00 ? 3 ALA A C 8 ATOM 4583 O O . ALA A 1 3 ? 9.094 3.749 -7.454 1.00 0.00 ? 3 ALA A O 8 ATOM 4584 C CB . ALA A 1 3 ? 10.208 1.475 -6.094 1.00 0.00 ? 3 ALA A CB 8 ATOM 4585 H H . ALA A 1 3 ? 8.504 -0.264 -7.015 1.00 0.00 ? 3 ALA A H 8 ATOM 4586 H HA . ALA A 1 3 ? 8.330 2.104 -5.333 1.00 0.00 ? 3 ALA A HA 8 ATOM 4587 H HB1 . ALA A 1 3 ? 10.608 2.206 -5.406 1.00 0.00 ? 3 ALA A HB1 8 ATOM 4588 H HB2 . ALA A 1 3 ? 10.381 0.482 -5.707 1.00 0.00 ? 3 ALA A HB2 8 ATOM 4589 H HB3 . ALA A 1 3 ? 10.696 1.579 -7.052 1.00 0.00 ? 3 ALA A HB3 8 ATOM 4590 N N . TRP A 1 4 ? 7.497 2.377 -8.247 1.00 0.00 ? 4 TRP A N 8 ATOM 4591 C CA . TRP A 1 4 ? 7.149 3.248 -9.363 1.00 0.00 ? 4 TRP A CA 8 ATOM 4592 C C . TRP A 1 4 ? 5.843 3.987 -9.090 1.00 0.00 ? 4 TRP A C 8 ATOM 4593 O O . TRP A 1 4 ? 5.771 5.209 -9.217 1.00 0.00 ? 4 TRP A O 8 ATOM 4594 C CB . TRP A 1 4 ? 7.030 2.436 -10.653 1.00 0.00 ? 4 TRP A CB 8 ATOM 4595 C CG . TRP A 1 4 ? 7.752 1.124 -10.598 1.00 0.00 ? 4 TRP A CG 8 ATOM 4596 C CD1 . TRP A 1 4 ? 9.041 0.915 -10.198 1.00 0.00 ? 4 TRP A CD1 8 ATOM 4597 C CD2 . TRP A 1 4 ? 7.228 -0.159 -10.957 1.00 0.00 ? 4 TRP A CD2 8 ATOM 4598 N NE1 . TRP A 1 4 ? 9.350 -0.421 -10.286 1.00 0.00 ? 4 TRP A NE1 8 ATOM 4599 C CE2 . TRP A 1 4 ? 8.254 -1.101 -10.749 1.00 0.00 ? 4 TRP A CE2 8 ATOM 4600 C CE3 . TRP A 1 4 ? 5.992 -0.604 -11.432 1.00 0.00 ? 4 TRP A CE3 8 ATOM 4601 C CZ2 . TRP A 1 4 ? 8.080 -2.459 -11.001 1.00 0.00 ? 4 TRP A CZ2 8 ATOM 4602 C CZ3 . TRP A 1 4 ? 5.820 -1.952 -11.682 1.00 0.00 ? 4 TRP A CZ3 8 ATOM 4603 C CH2 . TRP A 1 4 ? 6.859 -2.867 -11.466 1.00 0.00 ? 4 TRP A CH2 8 ATOM 4604 H H . TRP A 1 4 ? 7.018 1.529 -8.134 1.00 0.00 ? 4 TRP A H 8 ATOM 4605 H HA . TRP A 1 4 ? 7.942 3.973 -9.476 1.00 0.00 ? 4 TRP A HA 8 ATOM 4606 H HB2 . TRP A 1 4 ? 5.987 2.234 -10.849 1.00 0.00 ? 4 TRP A HB2 8 ATOM 4607 H HB3 . TRP A 1 4 ? 7.441 3.010 -11.471 1.00 0.00 ? 4 TRP A HB3 8 ATOM 4608 H HD1 . TRP A 1 4 ? 9.709 1.695 -9.865 1.00 0.00 ? 4 TRP A HD1 8 ATOM 4609 H HE1 . TRP A 1 4 ? 10.214 -0.822 -10.054 1.00 0.00 ? 4 TRP A HE1 8 ATOM 4610 H HE3 . TRP A 1 4 ? 5.179 0.086 -11.605 1.00 0.00 ? 4 TRP A HE3 8 ATOM 4611 H HZ2 . TRP A 1 4 ? 8.870 -3.177 -10.838 1.00 0.00 ? 4 TRP A HZ2 8 ATOM 4612 H HZ3 . TRP A 1 4 ? 4.871 -2.314 -12.050 1.00 0.00 ? 4 TRP A HZ3 8 ATOM 4613 H HH2 . TRP A 1 4 ? 6.680 -3.910 -11.674 1.00 0.00 ? 4 TRP A HH2 8 ATOM 4614 N N . CYS A 1 5 ? 4.812 3.237 -8.714 1.00 0.00 ? 5 CYS A N 8 ATOM 4615 C CA . CYS A 1 5 ? 3.508 3.820 -8.423 1.00 0.00 ? 5 CYS A CA 8 ATOM 4616 C C . CYS A 1 5 ? 3.442 4.313 -6.980 1.00 0.00 ? 5 CYS A C 8 ATOM 4617 O O . CYS A 1 5 ? 4.459 4.377 -6.288 1.00 0.00 ? 5 CYS A O 8 ATOM 4618 C CB . CYS A 1 5 ? 2.400 2.796 -8.675 1.00 0.00 ? 5 CYS A CB 8 ATOM 4619 S SG . CYS A 1 5 ? 2.606 1.841 -10.213 1.00 0.00 ? 5 CYS A SG 8 ATOM 4620 H H . CYS A 1 5 ? 4.931 2.267 -8.630 1.00 0.00 ? 5 CYS A H 8 ATOM 4621 H HA . CYS A 1 5 ? 3.366 4.662 -9.084 1.00 0.00 ? 5 CYS A HA 8 ATOM 4622 H HB2 . CYS A 1 5 ? 2.377 2.094 -7.854 1.00 0.00 ? 5 CYS A HB2 8 ATOM 4623 H HB3 . CYS A 1 5 ? 1.452 3.309 -8.730 1.00 0.00 ? 5 CYS A HB3 8 ATOM 4624 N N . TRP A 1 6 ? 2.240 4.658 -6.533 1.00 0.00 ? 6 TRP A N 8 ATOM 4625 C CA . TRP A 1 6 ? 2.041 5.144 -5.172 1.00 0.00 ? 6 TRP A CA 8 ATOM 4626 C C . TRP A 1 6 ? 0.604 4.918 -4.718 1.00 0.00 ? 6 TRP A C 8 ATOM 4627 O O . TRP A 1 6 ? 0.358 4.518 -3.579 1.00 0.00 ? 6 TRP A O 8 ATOM 4628 C CB . TRP A 1 6 ? 2.389 6.631 -5.084 1.00 0.00 ? 6 TRP A CB 8 ATOM 4629 C CG . TRP A 1 6 ? 3.160 6.989 -3.850 1.00 0.00 ? 6 TRP A CG 8 ATOM 4630 C CD1 . TRP A 1 6 ? 4.507 7.195 -3.757 1.00 0.00 ? 6 TRP A CD1 8 ATOM 4631 C CD2 . TRP A 1 6 ? 2.630 7.181 -2.534 1.00 0.00 ? 6 TRP A CD2 8 ATOM 4632 N NE1 . TRP A 1 6 ? 4.846 7.503 -2.461 1.00 0.00 ? 6 TRP A NE1 8 ATOM 4633 C CE2 . TRP A 1 6 ? 3.713 7.502 -1.692 1.00 0.00 ? 6 TRP A CE2 8 ATOM 4634 C CE3 . TRP A 1 6 ? 1.347 7.116 -1.985 1.00 0.00 ? 6 TRP A CE3 8 ATOM 4635 C CZ2 . TRP A 1 6 ? 3.549 7.755 -0.333 1.00 0.00 ? 6 TRP A CZ2 8 ATOM 4636 C CZ3 . TRP A 1 6 ? 1.186 7.366 -0.636 1.00 0.00 ? 6 TRP A CZ3 8 ATOM 4637 C CH2 . TRP A 1 6 ? 2.281 7.683 0.178 1.00 0.00 ? 6 TRP A CH2 8 ATOM 4638 H H . TRP A 1 6 ? 1.468 4.584 -7.132 1.00 0.00 ? 6 TRP A H 8 ATOM 4639 H HA . TRP A 1 6 ? 2.703 4.590 -4.523 1.00 0.00 ? 6 TRP A HA 8 ATOM 4640 H HB2 . TRP A 1 6 ? 2.984 6.907 -5.942 1.00 0.00 ? 6 TRP A HB2 8 ATOM 4641 H HB3 . TRP A 1 6 ? 1.474 7.207 -5.086 1.00 0.00 ? 6 TRP A HB3 8 ATOM 4642 H HD1 . TRP A 1 6 ? 5.192 7.120 -4.587 1.00 0.00 ? 6 TRP A HD1 8 ATOM 4643 H HE1 . TRP A 1 6 ? 5.753 7.694 -2.141 1.00 0.00 ? 6 TRP A HE1 8 ATOM 4644 H HE3 . TRP A 1 6 ? 0.490 6.873 -2.596 1.00 0.00 ? 6 TRP A HE3 8 ATOM 4645 H HZ2 . TRP A 1 6 ? 4.383 8.001 0.308 1.00 0.00 ? 6 TRP A HZ2 8 ATOM 4646 H HZ3 . TRP A 1 6 ? 0.201 7.320 -0.194 1.00 0.00 ? 6 TRP A HZ3 8 ATOM 4647 H HH2 . TRP A 1 6 ? 2.109 7.871 1.226 1.00 0.00 ? 6 TRP A HH2 8 ATOM 4648 N N . TYR A 1 7 ? -0.343 5.174 -5.614 1.00 0.00 ? 7 TYR A N 8 ATOM 4649 C CA . TYR A 1 7 ? -1.757 5.000 -5.303 1.00 0.00 ? 7 TYR A CA 8 ATOM 4650 C C . TYR A 1 7 ? -2.622 5.275 -6.530 1.00 0.00 ? 7 TYR A C 8 ATOM 4651 O O . TYR A 1 7 ? -2.119 5.376 -7.650 1.00 0.00 ? 7 TYR A O 8 ATOM 4652 C CB . TYR A 1 7 ? -2.167 5.926 -4.158 1.00 0.00 ? 7 TYR A CB 8 ATOM 4653 C CG . TYR A 1 7 ? -3.049 5.260 -3.126 1.00 0.00 ? 7 TYR A CG 8 ATOM 4654 C CD1 . TYR A 1 7 ? -2.648 4.091 -2.492 1.00 0.00 ? 7 TYR A CD1 8 ATOM 4655 C CD2 . TYR A 1 7 ? -4.284 5.799 -2.787 1.00 0.00 ? 7 TYR A CD2 8 ATOM 4656 C CE1 . TYR A 1 7 ? -3.451 3.478 -1.549 1.00 0.00 ? 7 TYR A CE1 8 ATOM 4657 C CE2 . TYR A 1 7 ? -5.093 5.194 -1.845 1.00 0.00 ? 7 TYR A CE2 8 ATOM 4658 C CZ . TYR A 1 7 ? -4.672 4.033 -1.229 1.00 0.00 ? 7 TYR A CZ 8 ATOM 4659 O OH . TYR A 1 7 ? -5.476 3.427 -0.291 1.00 0.00 ? 7 TYR A OH 8 ATOM 4660 H H . TYR A 1 7 ? -0.085 5.490 -6.505 1.00 0.00 ? 7 TYR A H 8 ATOM 4661 H HA . TYR A 1 7 ? -1.905 3.975 -4.995 1.00 0.00 ? 7 TYR A HA 8 ATOM 4662 H HB2 . TYR A 1 7 ? -1.280 6.281 -3.655 1.00 0.00 ? 7 TYR A HB2 8 ATOM 4663 H HB3 . TYR A 1 7 ? -2.707 6.770 -4.562 1.00 0.00 ? 7 TYR A HB3 8 ATOM 4664 H HD1 . TYR A 1 7 ? -1.691 3.658 -2.744 1.00 0.00 ? 7 TYR A HD1 8 ATOM 4665 H HD2 . TYR A 1 7 ? -4.611 6.707 -3.272 1.00 0.00 ? 7 TYR A HD2 8 ATOM 4666 H HE1 . TYR A 1 7 ? -3.122 2.570 -1.066 1.00 0.00 ? 7 TYR A HE1 8 ATOM 4667 H HE2 . TYR A 1 7 ? -6.049 5.628 -1.595 1.00 0.00 ? 7 TYR A HE2 8 ATOM 4668 H HH . TYR A 1 7 ? -4.990 3.330 0.531 1.00 0.00 ? 7 TYR A HH 8 ATOM 4669 N N . THR A 1 8 ? -3.927 5.397 -6.309 1.00 0.00 ? 8 THR A N 8 ATOM 4670 C CA . THR A 1 8 ? -4.864 5.660 -7.395 1.00 0.00 ? 8 THR A CA 8 ATOM 4671 C C . THR A 1 8 ? -5.269 7.129 -7.427 1.00 0.00 ? 8 THR A C 8 ATOM 4672 O O . THR A 1 8 ? -6.351 7.475 -7.903 1.00 0.00 ? 8 THR A O 8 ATOM 4673 C CB . THR A 1 8 ? -6.130 4.793 -7.266 1.00 0.00 ? 8 THR A CB 8 ATOM 4674 O OG1 . THR A 1 8 ? -5.779 3.475 -6.829 1.00 0.00 ? 8 THR A OG1 8 ATOM 4675 C CG2 . THR A 1 8 ? -6.868 4.712 -8.594 1.00 0.00 ? 8 THR A CG2 8 ATOM 4676 H H . THR A 1 8 ? -4.267 5.306 -5.395 1.00 0.00 ? 8 THR A H 8 ATOM 4677 H HA . THR A 1 8 ? -4.375 5.411 -8.325 1.00 0.00 ? 8 THR A HA 8 ATOM 4678 H HB . THR A 1 8 ? -6.785 5.244 -6.535 1.00 0.00 ? 8 THR A HB 8 ATOM 4679 H HG1 . THR A 1 8 ? -4.991 3.183 -7.294 1.00 0.00 ? 8 THR A HG1 8 ATOM 4680 H HG21 . THR A 1 8 ? -7.867 5.102 -8.475 1.00 0.00 ? 8 THR A HG21 8 ATOM 4681 H HG22 . THR A 1 8 ? -6.919 3.682 -8.916 1.00 0.00 ? 8 THR A HG22 8 ATOM 4682 H HG23 . THR A 1 8 ? -6.340 5.295 -9.335 1.00 0.00 ? 8 THR A HG23 8 ATOM 4683 N N . LEU A 1 9 ? -4.395 7.991 -6.918 1.00 0.00 ? 9 LEU A N 8 ATOM 4684 C CA . LEU A 1 9 ? -4.662 9.425 -6.889 1.00 0.00 ? 9 LEU A CA 8 ATOM 4685 C C . LEU A 1 9 ? -4.729 9.994 -8.302 1.00 0.00 ? 9 LEU A C 8 ATOM 4686 O O . LEU A 1 9 ? -5.435 10.970 -8.556 1.00 0.00 ? 9 LEU A O 8 ATOM 4687 C CB . LEU A 1 9 ? -3.579 10.149 -6.086 1.00 0.00 ? 9 LEU A CB 8 ATOM 4688 C CG . LEU A 1 9 ? -3.866 10.344 -4.597 1.00 0.00 ? 9 LEU A CG 8 ATOM 4689 C CD1 . LEU A 1 9 ? -2.659 9.943 -3.764 1.00 0.00 ? 9 LEU A CD1 8 ATOM 4690 C CD2 . LEU A 1 9 ? -4.256 11.788 -4.315 1.00 0.00 ? 9 LEU A CD2 8 ATOM 4691 H H . LEU A 1 9 ? -3.550 7.655 -6.554 1.00 0.00 ? 9 LEU A H 8 ATOM 4692 H HA . LEU A 1 9 ? -5.616 9.574 -6.408 1.00 0.00 ? 9 LEU A HA 8 ATOM 4693 H HB2 . LEU A 1 9 ? -2.666 9.580 -6.175 1.00 0.00 ? 9 LEU A HB2 8 ATOM 4694 H HB3 . LEU A 1 9 ? -3.438 11.125 -6.528 1.00 0.00 ? 9 LEU A HB3 8 ATOM 4695 H HG . LEU A 1 9 ? -4.695 9.711 -4.311 1.00 0.00 ? 9 LEU A HG 8 ATOM 4696 H HD11 . LEU A 1 9 ? -2.244 9.025 -4.151 1.00 0.00 ? 9 LEU A HD11 8 ATOM 4697 H HD12 . LEU A 1 9 ? -2.963 9.797 -2.738 1.00 0.00 ? 9 LEU A HD12 8 ATOM 4698 H HD13 . LEU A 1 9 ? -1.915 10.724 -3.810 1.00 0.00 ? 9 LEU A HD13 8 ATOM 4699 H HD21 . LEU A 1 9 ? -5.187 12.014 -4.813 1.00 0.00 ? 9 LEU A HD21 8 ATOM 4700 H HD22 . LEU A 1 9 ? -3.482 12.447 -4.680 1.00 0.00 ? 9 LEU A HD22 8 ATOM 4701 H HD23 . LEU A 1 9 ? -4.374 11.927 -3.250 1.00 0.00 ? 9 LEU A HD23 8 ATOM 4702 N N . ALA A 1 10 ? -3.991 9.377 -9.220 1.00 0.00 ? 10 ALA A N 8 ATOM 4703 C CA . ALA A 1 10 ? -3.971 9.820 -10.608 1.00 0.00 ? 10 ALA A CA 8 ATOM 4704 C C . ALA A 1 10 ? -3.380 11.221 -10.729 1.00 0.00 ? 10 ALA A C 8 ATOM 4705 O O . ALA A 1 10 ? -4.066 12.162 -11.129 1.00 0.00 ? 10 ALA A O 8 ATOM 4706 C CB . ALA A 1 10 ? -5.375 9.785 -11.194 1.00 0.00 ? 10 ALA A CB 8 ATOM 4707 H H . ALA A 1 10 ? -3.449 8.605 -8.956 1.00 0.00 ? 10 ALA A H 8 ATOM 4708 H HA . ALA A 1 10 ? -3.356 9.132 -11.169 1.00 0.00 ? 10 ALA A HA 8 ATOM 4709 H HB1 . ALA A 1 10 ? -5.863 10.731 -11.013 1.00 0.00 ? 10 ALA A HB1 8 ATOM 4710 H HB2 . ALA A 1 10 ? -5.316 9.608 -12.258 1.00 0.00 ? 10 ALA A HB2 8 ATOM 4711 H HB3 . ALA A 1 10 ? -5.940 8.993 -10.727 1.00 0.00 ? 10 ALA A HB3 8 ATOM 4712 N N . MET A 1 11 ? -2.104 11.352 -10.380 1.00 0.00 ? 11 MET A N 8 ATOM 4713 C CA . MET A 1 11 ? -1.422 12.639 -10.450 1.00 0.00 ? 11 MET A CA 8 ATOM 4714 C C . MET A 1 11 ? -1.311 13.117 -11.894 1.00 0.00 ? 11 MET A C 8 ATOM 4715 O O . MET A 1 11 ? -1.949 14.094 -12.287 1.00 0.00 ? 11 MET A O 8 ATOM 4716 C CB . MET A 1 11 ? -0.029 12.536 -9.826 1.00 0.00 ? 11 MET A CB 8 ATOM 4717 C CG . MET A 1 11 ? -0.052 12.236 -8.336 1.00 0.00 ? 11 MET A CG 8 ATOM 4718 S SD . MET A 1 11 ? 1.498 11.528 -7.746 1.00 0.00 ? 11 MET A SD 8 ATOM 4719 C CE . MET A 1 11 ? 1.215 9.787 -8.055 1.00 0.00 ? 11 MET A CE 8 ATOM 4720 H H . MET A 1 11 ? -1.610 10.566 -10.069 1.00 0.00 ? 11 MET A H 8 ATOM 4721 H HA . MET A 1 11 ? -2.006 13.354 -9.890 1.00 0.00 ? 11 MET A HA 8 ATOM 4722 H HB2 . MET A 1 11 ? 0.518 11.749 -10.322 1.00 0.00 ? 11 MET A HB2 8 ATOM 4723 H HB3 . MET A 1 11 ? 0.489 13.472 -9.974 1.00 0.00 ? 11 MET A HB3 8 ATOM 4724 H HG2 . MET A 1 11 ? -0.238 13.154 -7.799 1.00 0.00 ? 11 MET A HG2 8 ATOM 4725 H HG3 . MET A 1 11 ? -0.850 11.537 -8.136 1.00 0.00 ? 11 MET A HG3 8 ATOM 4726 H HE1 . MET A 1 11 ? 2.017 9.394 -8.662 1.00 0.00 ? 11 MET A HE1 8 ATOM 4727 H HE2 . MET A 1 11 ? 1.181 9.255 -7.116 1.00 0.00 ? 11 MET A HE2 8 ATOM 4728 H HE3 . MET A 1 11 ? 0.276 9.662 -8.574 1.00 0.00 ? 11 MET A HE3 8 ATOM 4729 N N . CYS A 1 12 ? -0.495 12.423 -12.682 1.00 0.00 ? 12 CYS A N 8 ATOM 4730 C CA . CYS A 1 12 ? -0.299 12.777 -14.082 1.00 0.00 ? 12 CYS A CA 8 ATOM 4731 C C . CYS A 1 12 ? -1.638 12.906 -14.803 1.00 0.00 ? 12 CYS A C 8 ATOM 4732 O O . CYS A 1 12 ? -2.638 12.324 -14.387 1.00 0.00 ? 12 CYS A O 8 ATOM 4733 C CB . CYS A 1 12 ? 0.568 11.727 -14.779 1.00 0.00 ? 12 CYS A CB 8 ATOM 4734 S SG . CYS A 1 12 ? -0.285 10.150 -15.097 1.00 0.00 ? 12 CYS A SG 8 ATOM 4735 H H . CYS A 1 12 ? -0.013 11.654 -12.311 1.00 0.00 ? 12 CYS A H 8 ATOM 4736 H HA . CYS A 1 12 ? 0.207 13.730 -14.116 1.00 0.00 ? 12 CYS A HA 8 ATOM 4737 H HB2 . CYS A 1 12 ? 0.900 12.118 -15.730 1.00 0.00 ? 12 CYS A HB2 8 ATOM 4738 H HB3 . CYS A 1 12 ? 1.430 11.517 -14.162 1.00 0.00 ? 12 CYS A HB3 8 ATOM 4739 N N . GLY A 1 13 ? -1.648 13.674 -15.889 1.00 0.00 ? 13 GLY A N 8 ATOM 4740 C CA . GLY A 1 13 ? -2.868 13.866 -16.651 1.00 0.00 ? 13 GLY A CA 8 ATOM 4741 C C . GLY A 1 13 ? -3.637 15.097 -16.214 1.00 0.00 ? 13 GLY A C 8 ATOM 4742 O O . GLY A 1 13 ? -4.413 15.659 -16.986 1.00 0.00 ? 13 GLY A O 8 ATOM 4743 H H . GLY A 1 13 ? -0.820 14.114 -16.174 1.00 0.00 ? 13 GLY A H 8 ATOM 4744 H HA2 . GLY A 1 13 ? -2.615 13.964 -17.696 1.00 0.00 ? 13 GLY A HA2 8 ATOM 4745 H HA3 . GLY A 1 13 ? -3.499 12.998 -16.523 1.00 0.00 ? 13 GLY A HA3 8 ATOM 4746 N N . ALA A 1 14 ? -3.423 15.517 -14.971 1.00 0.00 ? 14 ALA A N 8 ATOM 4747 C CA . ALA A 1 14 ? -4.101 16.689 -14.433 1.00 0.00 ? 14 ALA A CA 8 ATOM 4748 C C . ALA A 1 14 ? -3.140 17.866 -14.297 1.00 0.00 ? 14 ALA A C 8 ATOM 4749 O O . ALA A 1 14 ? -3.347 18.758 -13.476 1.00 0.00 ? 14 ALA A O 8 ATOM 4750 C CB . ALA A 1 14 ? -4.732 16.363 -13.088 1.00 0.00 ? 14 ALA A CB 8 ATOM 4751 H H . ALA A 1 14 ? -2.792 15.027 -14.403 1.00 0.00 ? 14 ALA A H 8 ATOM 4752 H HA . ALA A 1 14 ? -4.892 16.961 -15.118 1.00 0.00 ? 14 ALA A HA 8 ATOM 4753 H HB1 . ALA A 1 14 ? -5.184 17.255 -12.678 1.00 0.00 ? 14 ALA A HB1 8 ATOM 4754 H HB2 . ALA A 1 14 ? -5.488 15.604 -13.220 1.00 0.00 ? 14 ALA A HB2 8 ATOM 4755 H HB3 . ALA A 1 14 ? -3.972 16.001 -12.412 1.00 0.00 ? 14 ALA A HB3 8 ATOM 4756 N N . GLY A 1 15 ? -2.087 17.861 -15.109 1.00 0.00 ? 15 GLY A N 8 ATOM 4757 C CA . GLY A 1 15 ? -1.109 18.932 -15.062 1.00 0.00 ? 15 GLY A CA 8 ATOM 4758 C C . GLY A 1 15 ? 0.180 18.512 -14.385 1.00 0.00 ? 15 GLY A C 8 ATOM 4759 O O . GLY A 1 15 ? 1.220 19.146 -14.565 1.00 0.00 ? 15 GLY A O 8 ATOM 4760 H H . GLY A 1 15 ? -1.973 17.123 -15.745 1.00 0.00 ? 15 GLY A H 8 ATOM 4761 H HA2 . GLY A 1 15 ? -0.887 19.246 -16.071 1.00 0.00 ? 15 GLY A HA2 8 ATOM 4762 H HA3 . GLY A 1 15 ? -1.531 19.766 -14.521 1.00 0.00 ? 15 GLY A HA3 8 ATOM 4763 N N . TYR A 1 16 ? 0.112 17.441 -13.602 1.00 0.00 ? 16 TYR A N 8 ATOM 4764 C CA . TYR A 1 16 ? 1.282 16.939 -12.891 1.00 0.00 ? 16 TYR A CA 8 ATOM 4765 C C . TYR A 1 16 ? 2.408 16.601 -13.864 1.00 0.00 ? 16 TYR A C 8 ATOM 4766 O O . TYR A 1 16 ? 3.586 16.666 -13.514 1.00 0.00 ? 16 TYR A O 8 ATOM 4767 C CB . TYR A 1 16 ? 0.914 15.701 -12.070 1.00 0.00 ? 16 TYR A CB 8 ATOM 4768 C CG . TYR A 1 16 ? 0.634 16.002 -10.615 1.00 0.00 ? 16 TYR A CG 8 ATOM 4769 C CD1 . TYR A 1 16 ? 1.662 16.027 -9.680 1.00 0.00 ? 16 TYR A CD1 8 ATOM 4770 C CD2 . TYR A 1 16 ? -0.658 16.259 -10.174 1.00 0.00 ? 16 TYR A CD2 8 ATOM 4771 C CE1 . TYR A 1 16 ? 1.410 16.300 -8.349 1.00 0.00 ? 16 TYR A CE1 8 ATOM 4772 C CE2 . TYR A 1 16 ? -0.919 16.534 -8.846 1.00 0.00 ? 16 TYR A CE2 8 ATOM 4773 C CZ . TYR A 1 16 ? 0.119 16.553 -7.937 1.00 0.00 ? 16 TYR A CZ 8 ATOM 4774 O OH . TYR A 1 16 ? -0.137 16.826 -6.613 1.00 0.00 ? 16 TYR A OH 8 ATOM 4775 H H . TYR A 1 16 ? -0.745 16.977 -13.498 1.00 0.00 ? 16 TYR A H 8 ATOM 4776 H HA . TYR A 1 16 ? 1.622 17.715 -12.221 1.00 0.00 ? 16 TYR A HA 8 ATOM 4777 H HB2 . TYR A 1 16 ? 0.030 15.249 -12.491 1.00 0.00 ? 16 TYR A HB2 8 ATOM 4778 H HB3 . TYR A 1 16 ? 1.730 14.994 -12.112 1.00 0.00 ? 16 TYR A HB3 8 ATOM 4779 H HD1 . TYR A 1 16 ? 2.673 15.828 -10.006 1.00 0.00 ? 16 TYR A HD1 8 ATOM 4780 H HD2 . TYR A 1 16 ? -1.469 16.243 -10.889 1.00 0.00 ? 16 TYR A HD2 8 ATOM 4781 H HE1 . TYR A 1 16 ? 2.222 16.315 -7.637 1.00 0.00 ? 16 TYR A HE1 8 ATOM 4782 H HE2 . TYR A 1 16 ? -1.930 16.732 -8.523 1.00 0.00 ? 16 TYR A HE2 8 ATOM 4783 H HH . TYR A 1 16 ? -0.531 17.698 -6.536 1.00 0.00 ? 16 TYR A HH 8 ATOM 4784 N N . ASP A 1 17 ? 2.035 16.242 -15.087 1.00 0.00 ? 17 ASP A N 8 ATOM 4785 C CA . ASP A 1 17 ? 3.012 15.895 -16.113 1.00 0.00 ? 17 ASP A CA 8 ATOM 4786 C C . ASP A 1 17 ? 2.768 16.697 -17.388 1.00 0.00 ? 17 ASP A C 8 ATOM 4787 O O . ASP A 1 17 ? 1.915 17.584 -17.422 1.00 0.00 ? 17 ASP A O 8 ATOM 4788 C CB . ASP A 1 17 ? 2.952 14.398 -16.419 1.00 0.00 ? 17 ASP A CB 8 ATOM 4789 C CG . ASP A 1 17 ? 3.319 13.547 -15.219 1.00 0.00 ? 17 ASP A CG 8 ATOM 4790 O OD1 . ASP A 1 17 ? 2.688 13.719 -14.154 1.00 0.00 ? 17 ASP A OD1 8 ATOM 4791 O OD2 . ASP A 1 17 ? 4.235 12.708 -15.344 1.00 0.00 ? 17 ASP A OD2 8 ATOM 4792 H H . ASP A 1 17 ? 1.080 16.209 -15.306 1.00 0.00 ? 17 ASP A H 8 ATOM 4793 H HA . ASP A 1 17 ? 3.992 16.137 -15.733 1.00 0.00 ? 17 ASP A HA 8 ATOM 4794 H HB2 . ASP A 1 17 ? 1.950 14.139 -16.727 1.00 0.00 ? 17 ASP A HB2 8 ATOM 4795 H HB3 . ASP A 1 17 ? 3.641 14.173 -17.221 1.00 0.00 ? 17 ASP A HB3 8 ATOM 4796 N N . SER A 1 18 ? 3.525 16.380 -18.434 1.00 0.00 ? 18 SER A N 8 ATOM 4797 C CA . SER A 1 18 ? 3.395 17.075 -19.710 1.00 0.00 ? 18 SER A CA 8 ATOM 4798 C C . SER A 1 18 ? 2.279 16.462 -20.551 1.00 0.00 ? 18 SER A C 8 ATOM 4799 O O . SER A 1 18 ? 2.614 15.495 -21.233 1.00 0.00 ? 18 SER A O 8 ATOM 4800 C CB . SER A 1 18 ? 4.716 17.023 -20.479 1.00 0.00 ? 18 SER A CB 8 ATOM 4801 O OG . SER A 1 18 ? 4.755 18.012 -21.493 1.00 0.00 ? 18 SER A OG 8 ATOM 4802 H H . SER A 1 18 ? 4.188 15.664 -18.344 1.00 0.00 ? 18 SER A H 8 ATOM 4803 H HA . SER A 1 18 ? 3.149 18.105 -19.502 1.00 0.00 ? 18 SER A HA 8 ATOM 4804 H HB2 . SER A 1 18 ? 5.534 17.193 -19.796 1.00 0.00 ? 18 SER A HB2 8 ATOM 4805 H HB3 . SER A 1 18 ? 4.825 16.051 -20.937 1.00 0.00 ? 18 SER A HB3 8 ATOM 4806 N N . GLY A 1 19 ? 1.138 16.464 -19.840 1.00 0.00 ? 19 GLY A N 8 ATOM 4807 C CA . GLY A 1 19 ? 0.226 15.336 -19.882 1.00 0.00 ? 19 GLY A CA 8 ATOM 4808 C C . GLY A 1 19 ? 0.888 14.074 -20.398 1.00 0.00 ? 19 GLY A C 8 ATOM 4809 O O . GLY A 1 19 ? 0.708 13.698 -21.557 1.00 0.00 ? 19 GLY A O 8 ATOM 4810 H H . GLY A 1 19 ? 0.918 17.249 -19.296 1.00 0.00 ? 19 GLY A H 8 ATOM 4811 H HA2 . GLY A 1 19 ? -0.149 15.153 -18.886 1.00 0.00 ? 19 GLY A HA2 8 ATOM 4812 H HA3 . GLY A 1 19 ? -0.604 15.583 -20.528 1.00 0.00 ? 19 GLY A HA3 8 ATOM 4813 N N . THR A 1 20 ? 1.658 13.417 -19.536 1.00 0.00 ? 20 THR A N 8 ATOM 4814 C CA . THR A 1 20 ? 2.351 12.191 -19.912 1.00 0.00 ? 20 THR A CA 8 ATOM 4815 C C . THR A 1 20 ? 2.586 11.298 -18.698 1.00 0.00 ? 20 THR A C 8 ATOM 4816 O O . THR A 1 20 ? 2.946 11.778 -17.623 1.00 0.00 ? 20 THR A O 8 ATOM 4817 C CB . THR A 1 20 ? 3.705 12.494 -20.581 1.00 0.00 ? 20 THR A CB 8 ATOM 4818 O OG1 . THR A 1 20 ? 4.217 11.313 -21.208 1.00 0.00 ? 20 THR A OG1 8 ATOM 4819 C CG2 . THR A 1 20 ? 4.710 13.010 -19.562 1.00 0.00 ? 20 THR A CG2 8 ATOM 4820 H H . THR A 1 20 ? 1.762 13.766 -18.627 1.00 0.00 ? 20 THR A H 8 ATOM 4821 H HA . THR A 1 20 ? 1.733 11.662 -20.622 1.00 0.00 ? 20 THR A HA 8 ATOM 4822 H HB . THR A 1 20 ? 3.555 13.255 -21.334 1.00 0.00 ? 20 THR A HB 8 ATOM 4823 H HG1 . THR A 1 20 ? 4.261 11.447 -22.157 1.00 0.00 ? 20 THR A HG1 8 ATOM 4824 H HG21 . THR A 1 20 ? 4.308 13.884 -19.072 1.00 0.00 ? 20 THR A HG21 8 ATOM 4825 H HG22 . THR A 1 20 ? 5.630 13.270 -20.064 1.00 0.00 ? 20 THR A HG22 8 ATOM 4826 H HG23 . THR A 1 20 ? 4.903 12.243 -18.828 1.00 0.00 ? 20 THR A HG23 8 ATOM 4827 N N . CYS A 1 21 ? 2.381 9.998 -18.878 1.00 0.00 ? 21 CYS A N 8 ATOM 4828 C CA . CYS A 1 21 ? 2.571 9.037 -17.798 1.00 0.00 ? 21 CYS A CA 8 ATOM 4829 C C . CYS A 1 21 ? 3.438 7.868 -18.256 1.00 0.00 ? 21 CYS A C 8 ATOM 4830 O O . CYS A 1 21 ? 3.968 7.873 -19.367 1.00 0.00 ? 21 CYS A O 8 ATOM 4831 C CB . CYS A 1 21 ? 1.218 8.520 -17.304 1.00 0.00 ? 21 CYS A CB 8 ATOM 4832 S SG . CYS A 1 21 ? -0.026 9.825 -17.042 1.00 0.00 ? 21 CYS A SG 8 ATOM 4833 H H . CYS A 1 21 ? 2.095 9.676 -19.759 1.00 0.00 ? 21 CYS A H 8 ATOM 4834 H HA . CYS A 1 21 ? 3.071 9.544 -16.987 1.00 0.00 ? 21 CYS A HA 8 ATOM 4835 H HB2 . CYS A 1 21 ? 0.819 7.828 -18.030 1.00 0.00 ? 21 CYS A HB2 8 ATOM 4836 H HB3 . CYS A 1 21 ? 1.359 8.007 -16.364 1.00 0.00 ? 21 CYS A HB3 8 ATOM 4837 N N . ASP A 1 22 ? 3.577 6.868 -17.393 1.00 0.00 ? 22 ASP A N 8 ATOM 4838 C CA . ASP A 1 22 ? 4.378 5.691 -17.708 1.00 0.00 ? 22 ASP A CA 8 ATOM 4839 C C . ASP A 1 22 ? 3.894 4.477 -16.922 1.00 0.00 ? 22 ASP A C 8 ATOM 4840 O O . ASP A 1 22 ? 3.228 3.597 -17.468 1.00 0.00 ? 22 ASP A O 8 ATOM 4841 C CB . ASP A 1 22 ? 5.854 5.956 -17.404 1.00 0.00 ? 22 ASP A CB 8 ATOM 4842 C CG . ASP A 1 22 ? 6.683 6.123 -18.662 1.00 0.00 ? 22 ASP A CG 8 ATOM 4843 O OD1 . ASP A 1 22 ? 6.917 5.112 -19.358 1.00 0.00 ? 22 ASP A OD1 8 ATOM 4844 O OD2 . ASP A 1 22 ? 7.099 7.264 -18.951 1.00 0.00 ? 22 ASP A OD2 8 ATOM 4845 H H . ASP A 1 22 ? 3.130 6.923 -16.522 1.00 0.00 ? 22 ASP A H 8 ATOM 4846 H HA . ASP A 1 22 ? 4.269 5.488 -18.763 1.00 0.00 ? 22 ASP A HA 8 ATOM 4847 H HB2 . ASP A 1 22 ? 5.937 6.859 -16.817 1.00 0.00 ? 22 ASP A HB2 8 ATOM 4848 H HB3 . ASP A 1 22 ? 6.252 5.126 -16.839 1.00 0.00 ? 22 ASP A HB3 8 ATOM 4849 N N . TYR A 1 23 ? 4.233 4.436 -15.638 1.00 0.00 ? 23 TYR A N 8 ATOM 4850 C CA . TYR A 1 23 ? 3.836 3.328 -14.778 1.00 0.00 ? 23 TYR A CA 8 ATOM 4851 C C . TYR A 1 23 ? 2.319 3.276 -14.623 1.00 0.00 ? 23 TYR A C 8 ATOM 4852 O O . TYR A 1 23 ? 1.748 2.220 -14.351 1.00 0.00 ? 23 TYR A O 8 ATOM 4853 C CB . TYR A 1 23 ? 4.496 3.460 -13.404 1.00 0.00 ? 23 TYR A CB 8 ATOM 4854 C CG . TYR A 1 23 ? 5.964 3.814 -13.470 1.00 0.00 ? 23 TYR A CG 8 ATOM 4855 C CD1 . TYR A 1 23 ? 6.867 2.996 -14.137 1.00 0.00 ? 23 TYR A CD1 8 ATOM 4856 C CD2 . TYR A 1 23 ? 6.449 4.966 -12.864 1.00 0.00 ? 23 TYR A CD2 8 ATOM 4857 C CE1 . TYR A 1 23 ? 8.210 3.315 -14.199 1.00 0.00 ? 23 TYR A CE1 8 ATOM 4858 C CE2 . TYR A 1 23 ? 7.790 5.294 -12.922 1.00 0.00 ? 23 TYR A CE2 8 ATOM 4859 C CZ . TYR A 1 23 ? 8.666 4.465 -13.590 1.00 0.00 ? 23 TYR A CZ 8 ATOM 4860 O OH . TYR A 1 23 ? 10.003 4.788 -13.649 1.00 0.00 ? 23 TYR A OH 8 ATOM 4861 H H . TYR A 1 23 ? 4.765 5.167 -15.261 1.00 0.00 ? 23 TYR A H 8 ATOM 4862 H HA . TYR A 1 23 ? 4.170 2.412 -15.241 1.00 0.00 ? 23 TYR A HA 8 ATOM 4863 H HB2 . TYR A 1 23 ? 3.994 4.233 -12.843 1.00 0.00 ? 23 TYR A HB2 8 ATOM 4864 H HB3 . TYR A 1 23 ? 4.404 2.521 -12.877 1.00 0.00 ? 23 TYR A HB3 8 ATOM 4865 H HD1 . TYR A 1 23 ? 6.507 2.095 -14.613 1.00 0.00 ? 23 TYR A HD1 8 ATOM 4866 H HD2 . TYR A 1 23 ? 5.760 5.613 -12.340 1.00 0.00 ? 23 TYR A HD2 8 ATOM 4867 H HE1 . TYR A 1 23 ? 8.897 2.666 -14.723 1.00 0.00 ? 23 TYR A HE1 8 ATOM 4868 H HE2 . TYR A 1 23 ? 8.147 6.195 -12.444 1.00 0.00 ? 23 TYR A HE2 8 ATOM 4869 H HH . TYR A 1 23 ? 10.454 4.421 -12.885 1.00 0.00 ? 23 TYR A HH 8 ATOM 4870 N N . MET A 1 24 ? 1.673 4.424 -14.797 1.00 0.00 ? 24 MET A N 8 ATOM 4871 C CA . MET A 1 24 ? 0.222 4.510 -14.679 1.00 0.00 ? 24 MET A CA 8 ATOM 4872 C C . MET A 1 24 ? -0.462 3.658 -15.743 1.00 0.00 ? 24 MET A C 8 ATOM 4873 O O . MET A 1 24 ? -1.427 2.948 -15.458 1.00 0.00 ? 24 MET A O 8 ATOM 4874 C CB . MET A 1 24 ? -0.236 5.965 -14.802 1.00 0.00 ? 24 MET A CB 8 ATOM 4875 C CG . MET A 1 24 ? 0.075 6.806 -13.575 1.00 0.00 ? 24 MET A CG 8 ATOM 4876 S SD . MET A 1 24 ? 1.719 7.544 -13.637 1.00 0.00 ? 24 MET A SD 8 ATOM 4877 C CE . MET A 1 24 ? 2.617 6.464 -12.525 1.00 0.00 ? 24 MET A CE 8 ATOM 4878 H H . MET A 1 24 ? 2.183 5.233 -15.012 1.00 0.00 ? 24 MET A H 8 ATOM 4879 H HA . MET A 1 24 ? -0.053 4.137 -13.704 1.00 0.00 ? 24 MET A HA 8 ATOM 4880 H HB2 . MET A 1 24 ? 0.254 6.413 -15.653 1.00 0.00 ? 24 MET A HB2 8 ATOM 4881 H HB3 . MET A 1 24 ? -1.304 5.981 -14.962 1.00 0.00 ? 24 MET A HB3 8 ATOM 4882 H HG2 . MET A 1 24 ? -0.656 7.597 -13.501 1.00 0.00 ? 24 MET A HG2 8 ATOM 4883 H HG3 . MET A 1 24 ? 0.010 6.177 -12.699 1.00 0.00 ? 24 MET A HG3 8 ATOM 4884 H HE1 . MET A 1 24 ? 2.263 5.450 -12.645 1.00 0.00 ? 24 MET A HE1 8 ATOM 4885 H HE2 . MET A 1 24 ? 3.671 6.507 -12.755 1.00 0.00 ? 24 MET A HE2 8 ATOM 4886 H HE3 . MET A 1 24 ? 2.457 6.784 -11.506 1.00 0.00 ? 24 MET A HE3 8 ATOM 4887 N N . TYR A 1 25 ? 0.043 3.733 -16.969 1.00 0.00 ? 25 TYR A N 8 ATOM 4888 C CA . TYR A 1 25 ? -0.521 2.970 -18.076 1.00 0.00 ? 25 TYR A CA 8 ATOM 4889 C C . TYR A 1 25 ? -0.298 1.474 -17.877 1.00 0.00 ? 25 TYR A C 8 ATOM 4890 O O . TYR A 1 25 ? -0.852 0.650 -18.604 1.00 0.00 ? 25 TYR A O 8 ATOM 4891 C CB . TYR A 1 25 ? 0.100 3.417 -19.400 1.00 0.00 ? 25 TYR A CB 8 ATOM 4892 C CG . TYR A 1 25 ? -0.488 4.700 -19.942 1.00 0.00 ? 25 TYR A CG 8 ATOM 4893 C CD1 . TYR A 1 25 ? -0.494 5.862 -19.180 1.00 0.00 ? 25 TYR A CD1 8 ATOM 4894 C CD2 . TYR A 1 25 ? -1.037 4.751 -21.218 1.00 0.00 ? 25 TYR A CD2 8 ATOM 4895 C CE1 . TYR A 1 25 ? -1.031 7.036 -19.671 1.00 0.00 ? 25 TYR A CE1 8 ATOM 4896 C CE2 . TYR A 1 25 ? -1.575 5.922 -21.717 1.00 0.00 ? 25 TYR A CE2 8 ATOM 4897 C CZ . TYR A 1 25 ? -1.570 7.061 -20.940 1.00 0.00 ? 25 TYR A CZ 8 ATOM 4898 O OH . TYR A 1 25 ? -2.105 8.229 -21.433 1.00 0.00 ? 25 TYR A OH 8 ATOM 4899 H H . TYR A 1 25 ? 0.813 4.316 -17.134 1.00 0.00 ? 25 TYR A H 8 ATOM 4900 H HA . TYR A 1 25 ? -1.583 3.163 -18.105 1.00 0.00 ? 25 TYR A HA 8 ATOM 4901 H HB2 . TYR A 1 25 ? 1.159 3.572 -19.259 1.00 0.00 ? 25 TYR A HB2 8 ATOM 4902 H HB3 . TYR A 1 25 ? -0.050 2.645 -20.140 1.00 0.00 ? 25 TYR A HB3 8 ATOM 4903 H HD1 . TYR A 1 25 ? -0.071 5.839 -18.186 1.00 0.00 ? 25 TYR A HD1 8 ATOM 4904 H HD2 . TYR A 1 25 ? -1.039 3.857 -21.824 1.00 0.00 ? 25 TYR A HD2 8 ATOM 4905 H HE1 . TYR A 1 25 ? -1.027 7.928 -19.062 1.00 0.00 ? 25 TYR A HE1 8 ATOM 4906 H HE2 . TYR A 1 25 ? -1.998 5.942 -22.711 1.00 0.00 ? 25 TYR A HE2 8 ATOM 4907 H HH . TYR A 1 25 ? -1.724 8.416 -22.294 1.00 0.00 ? 25 TYR A HH 8 ATOM 4908 N N . SER A 1 26 ? 0.518 1.131 -16.885 1.00 0.00 ? 26 SER A N 8 ATOM 4909 C CA . SER A 1 26 ? 0.818 -0.265 -16.590 1.00 0.00 ? 26 SER A CA 8 ATOM 4910 C C . SER A 1 26 ? -0.236 -0.864 -15.664 1.00 0.00 ? 26 SER A C 8 ATOM 4911 O O . SER A 1 26 ? 0.058 -1.749 -14.860 1.00 0.00 ? 26 SER A O 8 ATOM 4912 C CB . SER A 1 26 ? 2.203 -0.387 -15.951 1.00 0.00 ? 26 SER A CB 8 ATOM 4913 O OG . SER A 1 26 ? 2.760 -1.670 -16.182 1.00 0.00 ? 26 SER A OG 8 ATOM 4914 H H . SER A 1 26 ? 0.930 1.834 -16.341 1.00 0.00 ? 26 SER A H 8 ATOM 4915 H HA . SER A 1 26 ? 0.812 -0.810 -17.523 1.00 0.00 ? 26 SER A HA 8 ATOM 4916 H HB2 . SER A 1 26 ? 2.859 0.358 -16.375 1.00 0.00 ? 26 SER A HB2 8 ATOM 4917 H HB3 . SER A 1 26 ? 2.120 -0.230 -14.886 1.00 0.00 ? 26 SER A HB3 8 ATOM 4918 H HG . SER A 1 26 ? 3.395 -1.872 -15.491 1.00 0.00 ? 26 SER A HG 8 ATOM 4919 N N . HIS A 1 27 ? -1.466 -0.373 -15.782 1.00 0.00 ? 27 HIS A N 8 ATOM 4920 C CA . HIS A 1 27 ? -2.566 -0.859 -14.956 1.00 0.00 ? 27 HIS A CA 8 ATOM 4921 C C . HIS A 1 27 ? -2.221 -0.750 -13.474 1.00 0.00 ? 27 HIS A C 8 ATOM 4922 O O . HIS A 1 27 ? -2.381 -1.707 -12.717 1.00 0.00 ? 27 HIS A O 8 ATOM 4923 C CB . HIS A 1 27 ? -2.894 -2.310 -15.310 1.00 0.00 ? 27 HIS A CB 8 ATOM 4924 C CG . HIS A 1 27 ? -4.308 -2.696 -15.001 1.00 0.00 ? 27 HIS A CG 8 ATOM 4925 N ND1 . HIS A 1 27 ? -4.691 -3.991 -14.724 1.00 0.00 ? 27 HIS A ND1 8 ATOM 4926 C CD2 . HIS A 1 27 ? -5.433 -1.948 -14.925 1.00 0.00 ? 27 HIS A CD2 8 ATOM 4927 C CE1 . HIS A 1 27 ? -5.991 -4.024 -14.492 1.00 0.00 ? 27 HIS A CE1 8 ATOM 4928 N NE2 . HIS A 1 27 ? -6.466 -2.797 -14.608 1.00 0.00 ? 27 HIS A NE2 8 ATOM 4929 H H . HIS A 1 27 ? -1.638 0.332 -16.441 1.00 0.00 ? 27 HIS A H 8 ATOM 4930 H HA . HIS A 1 27 ? -3.429 -0.244 -15.159 1.00 0.00 ? 27 HIS A HA 8 ATOM 4931 H HB2 . HIS A 1 27 ? -2.733 -2.461 -16.367 1.00 0.00 ? 27 HIS A HB2 8 ATOM 4932 H HB3 . HIS A 1 27 ? -2.241 -2.966 -14.753 1.00 0.00 ? 27 HIS A HB3 8 ATOM 4933 H HD1 . HIS A 1 27 ? -4.098 -4.771 -14.702 1.00 0.00 ? 27 HIS A HD1 8 ATOM 4934 H HD2 . HIS A 1 27 ? -5.507 -0.881 -15.084 1.00 0.00 ? 27 HIS A HD2 8 ATOM 4935 H HE1 . HIS A 1 27 ? -6.568 -4.903 -14.250 1.00 0.00 ? 27 HIS A HE1 8 ATOM 4936 N N . CYS A 1 28 ? -1.748 0.423 -13.067 1.00 0.00 ? 28 CYS A N 8 ATOM 4937 C CA . CYS A 1 28 ? -1.380 0.658 -11.676 1.00 0.00 ? 28 CYS A CA 8 ATOM 4938 C C . CYS A 1 28 ? -2.308 1.686 -11.034 1.00 0.00 ? 28 CYS A C 8 ATOM 4939 O O . CYS A 1 28 ? -2.400 1.775 -9.809 1.00 0.00 ? 28 CYS A O 8 ATOM 4940 C CB . CYS A 1 28 ? 0.071 1.137 -11.584 1.00 0.00 ? 28 CYS A CB 8 ATOM 4941 S SG . CYS A 1 28 ? 0.966 0.522 -10.122 1.00 0.00 ? 28 CYS A SG 8 ATOM 4942 H H . CYS A 1 28 ? -1.643 1.149 -13.718 1.00 0.00 ? 28 CYS A H 8 ATOM 4943 H HA . CYS A 1 28 ? -1.475 -0.276 -11.145 1.00 0.00 ? 28 CYS A HA 8 ATOM 4944 H HB2 . CYS A 1 28 ? 0.607 0.805 -12.461 1.00 0.00 ? 28 CYS A HB2 8 ATOM 4945 H HB3 . CYS A 1 28 ? 0.084 2.217 -11.548 1.00 0.00 ? 28 CYS A HB3 8 ATOM 4946 N N . PHE A 1 29 ? -2.994 2.459 -11.869 1.00 0.00 ? 29 PHE A N 8 ATOM 4947 C CA . PHE A 1 29 ? -3.914 3.480 -11.384 1.00 0.00 ? 29 PHE A CA 8 ATOM 4948 C C . PHE A 1 29 ? -5.339 3.193 -11.848 1.00 0.00 ? 29 PHE A C 8 ATOM 4949 O O . PHE A 1 29 ? -6.307 3.599 -11.206 1.00 0.00 ? 29 PHE A O 8 ATOM 4950 C CB . PHE A 1 29 ? -3.476 4.864 -11.869 1.00 0.00 ? 29 PHE A CB 8 ATOM 4951 C CG . PHE A 1 29 ? -2.349 5.451 -11.069 1.00 0.00 ? 29 PHE A CG 8 ATOM 4952 C CD1 . PHE A 1 29 ? -1.157 4.762 -10.918 1.00 0.00 ? 29 PHE A CD1 8 ATOM 4953 C CD2 . PHE A 1 29 ? -2.482 6.692 -10.467 1.00 0.00 ? 29 PHE A CD2 8 ATOM 4954 C CE1 . PHE A 1 29 ? -0.117 5.300 -10.182 1.00 0.00 ? 29 PHE A CE1 8 ATOM 4955 C CE2 . PHE A 1 29 ? -1.446 7.235 -9.730 1.00 0.00 ? 29 PHE A CE2 8 ATOM 4956 C CZ . PHE A 1 29 ? -0.263 6.537 -9.587 1.00 0.00 ? 29 PHE A CZ 8 ATOM 4957 H H . PHE A 1 29 ? -2.877 2.340 -12.835 1.00 0.00 ? 29 PHE A H 8 ATOM 4958 H HA . PHE A 1 29 ? -3.889 3.462 -10.305 1.00 0.00 ? 29 PHE A HA 8 ATOM 4959 H HB2 . PHE A 1 29 ? -3.150 4.791 -12.896 1.00 0.00 ? 29 PHE A HB2 8 ATOM 4960 H HB3 . PHE A 1 29 ? -4.315 5.540 -11.809 1.00 0.00 ? 29 PHE A HB3 8 ATOM 4961 H HD1 . PHE A 1 29 ? -1.042 3.793 -11.383 1.00 0.00 ? 29 PHE A HD1 8 ATOM 4962 H HD2 . PHE A 1 29 ? -3.408 7.238 -10.577 1.00 0.00 ? 29 PHE A HD2 8 ATOM 4963 H HE1 . PHE A 1 29 ? 0.807 4.751 -10.072 1.00 0.00 ? 29 PHE A HE1 8 ATOM 4964 H HE2 . PHE A 1 29 ? -1.563 8.203 -9.266 1.00 0.00 ? 29 PHE A HE2 8 ATOM 4965 H HZ . PHE A 1 29 ? 0.548 6.960 -9.012 1.00 0.00 ? 29 PHE A HZ 8 ATOM 4966 N N . GLY A 1 30 ? -5.459 2.490 -12.970 1.00 0.00 ? 30 GLY A N 8 ATOM 4967 C CA . GLY A 1 30 ? -6.768 2.161 -13.503 1.00 0.00 ? 30 GLY A CA 8 ATOM 4968 C C . GLY A 1 30 ? -7.357 3.286 -14.332 1.00 0.00 ? 30 GLY A C 8 ATOM 4969 O O . GLY A 1 30 ? -8.572 3.481 -14.353 1.00 0.00 ? 30 GLY A O 8 ATOM 4970 H H . GLY A 1 30 ? -4.652 2.193 -13.440 1.00 0.00 ? 30 GLY A H 8 ATOM 4971 H HA2 . GLY A 1 30 ? -6.683 1.280 -14.120 1.00 0.00 ? 30 GLY A HA2 8 ATOM 4972 H HA3 . GLY A 1 30 ? -7.436 1.949 -12.680 1.00 0.00 ? 30 GLY A HA3 8 ATOM 4973 N N . VAL A 1 31 ? -6.493 4.030 -15.015 1.00 0.00 ? 31 VAL A N 8 ATOM 4974 C CA . VAL A 1 31 ? -6.933 5.142 -15.849 1.00 0.00 ? 31 VAL A CA 8 ATOM 4975 C C . VAL A 1 31 ? -6.936 4.755 -17.324 1.00 0.00 ? 31 VAL A C 8 ATOM 4976 O O . VAL A 1 31 ? -7.741 5.258 -18.107 1.00 0.00 ? 31 VAL A O 8 ATOM 4977 C CB . VAL A 1 31 ? -6.036 6.379 -15.655 1.00 0.00 ? 31 VAL A CB 8 ATOM 4978 C CG1 . VAL A 1 31 ? -6.250 6.983 -14.275 1.00 0.00 ? 31 VAL A CG1 8 ATOM 4979 C CG2 . VAL A 1 31 ? -4.574 6.014 -15.865 1.00 0.00 ? 31 VAL A CG2 8 ATOM 4980 H H . VAL A 1 31 ? -5.536 3.825 -14.958 1.00 0.00 ? 31 VAL A H 8 ATOM 4981 H HA . VAL A 1 31 ? -7.939 5.403 -15.553 1.00 0.00 ? 31 VAL A HA 8 ATOM 4982 H HB . VAL A 1 31 ? -6.311 7.117 -16.393 1.00 0.00 ? 31 VAL A HB 8 ATOM 4983 H HG11 . VAL A 1 31 ? -6.346 6.191 -13.547 1.00 0.00 ? 31 VAL A HG11 8 ATOM 4984 H HG12 . VAL A 1 31 ? -5.407 7.608 -14.021 1.00 0.00 ? 31 VAL A HG12 8 ATOM 4985 H HG13 . VAL A 1 31 ? -7.152 7.578 -14.279 1.00 0.00 ? 31 VAL A HG13 8 ATOM 4986 H HG21 . VAL A 1 31 ? -4.025 6.186 -14.952 1.00 0.00 ? 31 VAL A HG21 8 ATOM 4987 H HG22 . VAL A 1 31 ? -4.500 4.973 -16.141 1.00 0.00 ? 31 VAL A HG22 8 ATOM 4988 H HG23 . VAL A 1 31 ? -4.160 6.626 -16.654 1.00 0.00 ? 31 VAL A HG23 8 ATOM 4989 N N . LYS A 1 32 ? -6.028 3.859 -17.696 1.00 0.00 ? 32 LYS A N 8 ATOM 4990 C CA . LYS A 1 32 ? -5.925 3.402 -19.077 1.00 0.00 ? 32 LYS A CA 8 ATOM 4991 C C . LYS A 1 32 ? -7.273 2.900 -19.586 1.00 0.00 ? 32 LYS A C 8 ATOM 4992 O O . LYS A 1 32 ? -7.932 2.090 -18.933 1.00 0.00 ? 32 LYS A O 8 ATOM 4993 C CB . LYS A 1 32 ? -4.879 2.291 -19.191 1.00 0.00 ? 32 LYS A CB 8 ATOM 4994 C CG . LYS A 1 32 ? -4.479 1.978 -20.623 1.00 0.00 ? 32 LYS A CG 8 ATOM 4995 C CD . LYS A 1 32 ? -4.380 0.480 -20.859 1.00 0.00 ? 32 LYS A CD 8 ATOM 4996 C CE . LYS A 1 32 ? -3.101 -0.094 -20.271 1.00 0.00 ? 32 LYS A CE 8 ATOM 4997 N NZ . LYS A 1 32 ? -2.694 -1.355 -20.951 1.00 0.00 ? 32 LYS A NZ 8 ATOM 4998 H H . LYS A 1 32 ? -5.413 3.494 -17.025 1.00 0.00 ? 32 LYS A H 8 ATOM 4999 H HA . LYS A 1 32 ? -5.615 4.241 -19.681 1.00 0.00 ? 32 LYS A HA 8 ATOM 5000 H HB2 . LYS A 1 32 ? -3.994 2.589 -18.649 1.00 0.00 ? 32 LYS A HB2 8 ATOM 5001 H HB3 . LYS A 1 32 ? -5.277 1.391 -18.746 1.00 0.00 ? 32 LYS A HB3 8 ATOM 5002 H HG2 . LYS A 1 32 ? -5.219 2.389 -21.293 1.00 0.00 ? 32 LYS A HG2 8 ATOM 5003 H HG3 . LYS A 1 32 ? -3.517 2.429 -20.825 1.00 0.00 ? 32 LYS A HG3 8 ATOM 5004 H HD2 . LYS A 1 32 ? -5.226 -0.005 -20.396 1.00 0.00 ? 32 LYS A HD2 8 ATOM 5005 H HD3 . LYS A 1 32 ? -4.393 0.291 -21.924 1.00 0.00 ? 32 LYS A HD3 8 ATOM 5006 H HE2 . LYS A 1 32 ? -2.312 0.634 -20.378 1.00 0.00 ? 32 LYS A HE2 8 ATOM 5007 H HE3 . LYS A 1 32 ? -3.263 -0.297 -19.222 1.00 0.00 ? 32 LYS A HE3 8 ATOM 5008 H HZ1 . LYS A 1 32 ? -1.710 -1.282 -21.279 1.00 0.00 ? 32 LYS A HZ1 8 ATOM 5009 H HZ2 . LYS A 1 32 ? -3.309 -1.532 -21.771 1.00 0.00 ? 32 LYS A HZ2 8 ATOM 5010 H HZ3 . LYS A 1 32 ? -2.772 -2.157 -20.294 1.00 0.00 ? 32 LYS A HZ3 8 ATOM 5011 N N . HIS A 1 33 ? -7.676 3.385 -20.756 1.00 0.00 ? 33 HIS A N 8 ATOM 5012 C CA . HIS A 1 33 ? -8.945 2.983 -21.353 1.00 0.00 ? 33 HIS A CA 8 ATOM 5013 C C . HIS A 1 33 ? -8.990 1.473 -21.570 1.00 0.00 ? 33 HIS A C 8 ATOM 5014 O O . HIS A 1 33 ? -8.027 0.765 -21.273 1.00 0.00 ? 33 HIS A O 8 ATOM 5015 C CB . HIS A 1 33 ? -9.158 3.707 -22.683 1.00 0.00 ? 33 HIS A CB 8 ATOM 5016 C CG . HIS A 1 33 ? -9.002 5.194 -22.588 1.00 0.00 ? 33 HIS A CG 8 ATOM 5017 N ND1 . HIS A 1 33 ? -9.989 6.025 -22.103 1.00 0.00 ? 33 HIS A ND1 8 ATOM 5018 C CD2 . HIS A 1 33 ? -7.963 5.997 -22.917 1.00 0.00 ? 33 HIS A CD2 8 ATOM 5019 C CE1 . HIS A 1 33 ? -9.566 7.276 -22.139 1.00 0.00 ? 33 HIS A CE1 8 ATOM 5020 N NE2 . HIS A 1 33 ? -8.339 7.286 -22.629 1.00 0.00 ? 33 HIS A NE2 8 ATOM 5021 H H . HIS A 1 33 ? -7.107 4.027 -21.229 1.00 0.00 ? 33 HIS A H 8 ATOM 5022 H HA . HIS A 1 33 ? -9.735 3.260 -20.672 1.00 0.00 ? 33 HIS A HA 8 ATOM 5023 H HB2 . HIS A 1 33 ? -8.439 3.344 -23.403 1.00 0.00 ? 33 HIS A HB2 8 ATOM 5024 H HB3 . HIS A 1 33 ? -10.156 3.500 -23.042 1.00 0.00 ? 33 HIS A HB3 8 ATOM 5025 H HD1 . HIS A 1 33 ? -10.870 5.740 -21.781 1.00 0.00 ? 33 HIS A HD1 8 ATOM 5026 H HD2 . HIS A 1 33 ? -7.015 5.684 -23.330 1.00 0.00 ? 33 HIS A HD2 8 ATOM 5027 H HE1 . HIS A 1 33 ? -10.126 8.142 -21.823 1.00 0.00 ? 33 HIS A HE1 8 ATOM 5028 N N . SER A 1 34 ? -10.113 0.988 -22.087 1.00 0.00 ? 34 SER A N 8 ATOM 5029 C CA . SER A 1 34 ? -10.285 -0.438 -22.339 1.00 0.00 ? 34 SER A CA 8 ATOM 5030 C C . SER A 1 34 ? -9.939 -1.254 -21.097 1.00 0.00 ? 34 SER A C 8 ATOM 5031 O O . SER A 1 34 ? -9.227 -2.255 -21.177 1.00 0.00 ? 34 SER A O 8 ATOM 5032 C CB . SER A 1 34 ? -9.410 -0.880 -23.513 1.00 0.00 ? 34 SER A CB 8 ATOM 5033 O OG . SER A 1 34 ? -9.923 -0.394 -24.742 1.00 0.00 ? 34 SER A OG 8 ATOM 5034 H H . SER A 1 34 ? -10.845 1.603 -22.303 1.00 0.00 ? 34 SER A H 8 ATOM 5035 H HA . SER A 1 34 ? -11.322 -0.608 -22.589 1.00 0.00 ? 34 SER A HA 8 ATOM 5036 H HB2 . SER A 1 34 ? -8.410 -0.497 -23.378 1.00 0.00 ? 34 SER A HB2 8 ATOM 5037 H HB3 . SER A 1 34 ? -9.381 -1.959 -23.551 1.00 0.00 ? 34 SER A HB3 8 ATOM 5038 H HG . SER A 1 34 ? -9.635 0.513 -24.873 1.00 0.00 ? 34 SER A HG 8 ATOM 5039 N N . SER A 1 35 ? -10.450 -0.819 -19.949 1.00 0.00 ? 35 SER A N 8 ATOM 5040 C CA . SER A 1 35 ? -10.193 -1.506 -18.689 1.00 0.00 ? 35 SER A CA 8 ATOM 5041 C C . SER A 1 35 ? -11.114 -2.711 -18.529 1.00 0.00 ? 35 SER A C 8 ATOM 5042 O O . SER A 1 35 ? -12.029 -2.702 -17.707 1.00 0.00 ? 35 SER A O 8 ATOM 5043 C CB . SER A 1 35 ? -10.381 -0.546 -17.513 1.00 0.00 ? 35 SER A CB 8 ATOM 5044 O OG . SER A 1 35 ? -11.548 0.240 -17.678 1.00 0.00 ? 35 SER A OG 8 ATOM 5045 H H . SER A 1 35 ? -11.011 -0.015 -19.950 1.00 0.00 ? 35 SER A H 8 ATOM 5046 H HA . SER A 1 35 ? -9.169 -1.850 -18.702 1.00 0.00 ? 35 SER A HA 8 ATOM 5047 H HB2 . SER A 1 35 ? -10.470 -1.114 -16.599 1.00 0.00 ? 35 SER A HB2 8 ATOM 5048 H HB3 . SER A 1 35 ? -9.525 0.110 -17.447 1.00 0.00 ? 35 SER A HB3 8 ATOM 5049 H HG . SER A 1 35 ? -11.314 1.081 -18.079 1.00 0.00 ? 35 SER A HG 8 ATOM 5050 N N . GLY A 1 36 ? -10.866 -3.749 -19.323 1.00 0.00 ? 36 GLY A N 8 ATOM 5051 C CA . GLY A 1 36 ? -11.681 -4.947 -19.255 1.00 0.00 ? 36 GLY A CA 8 ATOM 5052 C C . GLY A 1 36 ? -10.854 -6.216 -19.322 1.00 0.00 ? 36 GLY A C 8 ATOM 5053 O O . GLY A 1 36 ? -11.000 -7.012 -20.248 1.00 0.00 ? 36 GLY A O 8 ATOM 5054 H H . GLY A 1 36 ? -10.122 -3.699 -19.960 1.00 0.00 ? 36 GLY A H 8 ATOM 5055 H HA2 . GLY A 1 36 ? -12.236 -4.940 -18.329 1.00 0.00 ? 36 GLY A HA2 8 ATOM 5056 H HA3 . GLY A 1 36 ? -12.378 -4.942 -20.081 1.00 0.00 ? 36 GLY A HA3 8 ATOM 5057 N N . GLY A 1 37 ? -9.980 -6.403 -18.337 1.00 0.00 ? 37 GLY A N 8 ATOM 5058 C CA . GLY A 1 37 ? -9.138 -7.585 -18.308 1.00 0.00 ? 37 GLY A CA 8 ATOM 5059 C C . GLY A 1 37 ? -8.943 -8.123 -16.905 1.00 0.00 ? 37 GLY A C 8 ATOM 5060 O O . GLY A 1 37 ? -7.996 -8.863 -16.642 1.00 0.00 ? 37 GLY A O 8 ATOM 5061 H H . GLY A 1 37 ? -9.907 -5.734 -17.625 1.00 0.00 ? 37 GLY A H 8 ATOM 5062 H HA2 . GLY A 1 37 ? -9.592 -8.352 -18.917 1.00 0.00 ? 37 GLY A HA2 8 ATOM 5063 H HA3 . GLY A 1 37 ? -8.172 -7.335 -18.722 1.00 0.00 ? 37 GLY A HA3 8 ATOM 5064 N N . GLY A 1 38 ? -9.842 -7.750 -15.999 1.00 0.00 ? 38 GLY A N 8 ATOM 5065 C CA . GLY A 1 38 ? -9.746 -8.208 -14.625 1.00 0.00 ? 38 GLY A CA 8 ATOM 5066 C C . GLY A 1 38 ? -10.777 -9.268 -14.294 1.00 0.00 ? 38 GLY A C 8 ATOM 5067 O O . GLY A 1 38 ? -10.567 -10.452 -14.553 1.00 0.00 ? 38 GLY A O 8 ATOM 5068 H H . GLY A 1 38 ? -10.577 -7.158 -16.265 1.00 0.00 ? 38 GLY A H 8 ATOM 5069 H HA2 . GLY A 1 38 ? -8.760 -8.617 -14.462 1.00 0.00 ? 38 GLY A HA2 8 ATOM 5070 H HA3 . GLY A 1 38 ? -9.889 -7.365 -13.965 1.00 0.00 ? 38 GLY A HA3 8 ATOM 5071 N N . GLY A 1 39 ? -11.897 -8.842 -13.716 1.00 0.00 ? 39 GLY A N 8 ATOM 5072 C CA . GLY A 1 39 ? -12.948 -9.776 -13.357 1.00 0.00 ? 39 GLY A CA 8 ATOM 5073 C C . GLY A 1 39 ? -13.848 -9.242 -12.260 1.00 0.00 ? 39 GLY A C 8 ATOM 5074 O O . GLY A 1 39 ? -14.575 -8.269 -12.464 1.00 0.00 ? 39 GLY A O 8 ATOM 5075 H H . GLY A 1 39 ? -12.010 -7.886 -13.533 1.00 0.00 ? 39 GLY A H 8 ATOM 5076 H HA2 . GLY A 1 39 ? -13.546 -9.982 -14.231 1.00 0.00 ? 39 GLY A HA2 8 ATOM 5077 H HA3 . GLY A 1 39 ? -12.495 -10.696 -13.018 1.00 0.00 ? 39 GLY A HA3 8 ATOM 5078 N N . SER A 1 40 ? -13.801 -9.879 -11.095 1.00 0.00 ? 40 SER A N 8 ATOM 5079 C CA . SER A 1 40 ? -14.623 -9.466 -9.964 1.00 0.00 ? 40 SER A CA 8 ATOM 5080 C C . SER A 1 40 ? -14.231 -8.070 -9.489 1.00 0.00 ? 40 SER A C 8 ATOM 5081 O O . SER A 1 40 ? -13.056 -7.703 -9.508 1.00 0.00 ? 40 SER A O 8 ATOM 5082 C CB . SER A 1 40 ? -14.486 -10.465 -8.814 1.00 0.00 ? 40 SER A CB 8 ATOM 5083 O OG . SER A 1 40 ? -14.415 -11.795 -9.299 1.00 0.00 ? 40 SER A OG 8 ATOM 5084 H H . SER A 1 40 ? -13.201 -10.648 -10.995 1.00 0.00 ? 40 SER A H 8 ATOM 5085 H HA . SER A 1 40 ? -15.652 -9.446 -10.291 1.00 0.00 ? 40 SER A HA 8 ATOM 5086 H HB2 . SER A 1 40 ? -13.586 -10.250 -8.258 1.00 0.00 ? 40 SER A HB2 8 ATOM 5087 H HB3 . SER A 1 40 ? -15.342 -10.378 -8.161 1.00 0.00 ? 40 SER A HB3 8 ATOM 5088 H HG . SER A 1 40 ? -14.646 -12.405 -8.596 1.00 0.00 ? 40 SER A HG 8 ATOM 5089 N N . TYR A 1 41 ? -15.224 -7.296 -9.063 1.00 0.00 ? 41 TYR A N 8 ATOM 5090 C CA . TYR A 1 41 ? -14.984 -5.940 -8.586 1.00 0.00 ? 41 TYR A CA 8 ATOM 5091 C C . TYR A 1 41 ? -16.128 -5.467 -7.694 1.00 0.00 ? 41 TYR A C 8 ATOM 5092 O O . TYR A 1 41 ? -17.226 -6.023 -7.725 1.00 0.00 ? 41 TYR A O 8 ATOM 5093 C CB . TYR A 1 41 ? -14.814 -4.983 -9.767 1.00 0.00 ? 41 TYR A CB 8 ATOM 5094 C CG . TYR A 1 41 ? -13.924 -3.799 -9.464 1.00 0.00 ? 41 TYR A CG 8 ATOM 5095 C CD1 . TYR A 1 41 ? -12.551 -3.869 -9.661 1.00 0.00 ? 41 TYR A CD1 8 ATOM 5096 C CD2 . TYR A 1 41 ? -14.457 -2.610 -8.980 1.00 0.00 ? 41 TYR A CD2 8 ATOM 5097 C CE1 . TYR A 1 41 ? -11.733 -2.790 -9.385 1.00 0.00 ? 41 TYR A CE1 8 ATOM 5098 C CE2 . TYR A 1 41 ? -13.647 -1.526 -8.703 1.00 0.00 ? 41 TYR A CE2 8 ATOM 5099 C CZ . TYR A 1 41 ? -12.286 -1.620 -8.906 1.00 0.00 ? 41 TYR A CZ 8 ATOM 5100 O OH . TYR A 1 41 ? -11.477 -0.543 -8.630 1.00 0.00 ? 41 TYR A OH 8 ATOM 5101 H H . TYR A 1 41 ? -16.139 -7.645 -9.072 1.00 0.00 ? 41 TYR A H 8 ATOM 5102 H HA . TYR A 1 41 ? -14.072 -5.948 -8.007 1.00 0.00 ? 41 TYR A HA 8 ATOM 5103 H HB2 . TYR A 1 41 ? -14.380 -5.519 -10.596 1.00 0.00 ? 41 TYR A HB2 8 ATOM 5104 H HB3 . TYR A 1 41 ? -15.784 -4.604 -10.057 1.00 0.00 ? 41 TYR A HB3 8 ATOM 5105 H HD1 . TYR A 1 41 ? -12.120 -4.786 -10.036 1.00 0.00 ? 41 TYR A HD1 8 ATOM 5106 H HD2 . TYR A 1 41 ? -15.523 -2.540 -8.821 1.00 0.00 ? 41 TYR A HD2 8 ATOM 5107 H HE1 . TYR A 1 41 ? -10.668 -2.864 -9.544 1.00 0.00 ? 41 TYR A HE1 8 ATOM 5108 H HE2 . TYR A 1 41 ? -14.080 -0.610 -8.327 1.00 0.00 ? 41 TYR A HE2 8 ATOM 5109 H HH . TYR A 1 41 ? -10.583 -0.729 -8.928 1.00 0.00 ? 41 TYR A HH 8 ATOM 5110 N N . HIS A 1 42 ? -15.863 -4.434 -6.900 1.00 0.00 ? 42 HIS A N 8 ATOM 5111 C CA . HIS A 1 42 ? -16.869 -3.883 -5.999 1.00 0.00 ? 42 HIS A CA 8 ATOM 5112 C C . HIS A 1 42 ? -17.592 -2.706 -6.647 1.00 0.00 ? 42 HIS A C 8 ATOM 5113 O O . HIS A 1 42 ? -17.891 -1.709 -5.988 1.00 0.00 ? 42 HIS A O 8 ATOM 5114 C CB . HIS A 1 42 ? -16.222 -3.440 -4.687 1.00 0.00 ? 42 HIS A CB 8 ATOM 5115 C CG . HIS A 1 42 ? -15.889 -4.577 -3.770 1.00 0.00 ? 42 HIS A CG 8 ATOM 5116 N ND1 . HIS A 1 42 ? -16.845 -5.397 -3.209 1.00 0.00 ? 42 HIS A ND1 8 ATOM 5117 C CD2 . HIS A 1 42 ? -14.695 -5.030 -3.319 1.00 0.00 ? 42 HIS A CD2 8 ATOM 5118 C CE1 . HIS A 1 42 ? -16.254 -6.303 -2.451 1.00 0.00 ? 42 HIS A CE1 8 ATOM 5119 N NE2 . HIS A 1 42 ? -14.950 -6.103 -2.501 1.00 0.00 ? 42 HIS A NE2 8 ATOM 5120 H H . HIS A 1 42 ? -14.969 -4.033 -6.920 1.00 0.00 ? 42 HIS A H 8 ATOM 5121 H HA . HIS A 1 42 ? -17.589 -4.661 -5.792 1.00 0.00 ? 42 HIS A HA 8 ATOM 5122 H HB2 . HIS A 1 42 ? -15.306 -2.911 -4.905 1.00 0.00 ? 42 HIS A HB2 8 ATOM 5123 H HB3 . HIS A 1 42 ? -16.899 -2.779 -4.164 1.00 0.00 ? 42 HIS A HB3 8 ATOM 5124 H HD1 . HIS A 1 42 ? -17.812 -5.324 -3.344 1.00 0.00 ? 42 HIS A HD1 8 ATOM 5125 H HD2 . HIS A 1 42 ? -13.723 -4.623 -3.558 1.00 0.00 ? 42 HIS A HD2 8 ATOM 5126 H HE1 . HIS A 1 42 ? -16.753 -7.077 -1.886 1.00 0.00 ? 42 HIS A HE1 8 ATOM 5127 N N . CYS A 1 43 ? -17.867 -2.826 -7.941 1.00 0.00 ? 43 CYS A N 8 ATOM 5128 C CA . CYS A 1 43 ? -18.553 -1.772 -8.679 1.00 0.00 ? 43 CYS A CA 8 ATOM 5129 C C . CYS A 1 43 ? -19.867 -2.283 -9.263 1.00 0.00 ? 43 CYS A C 8 ATOM 5130 O O . CYS A 1 43 ? -19.882 -3.357 -9.864 1.00 0.00 ? 43 CYS A O 8 ATOM 5131 C CB . CYS A 1 43 ? -17.657 -1.239 -9.799 1.00 0.00 ? 43 CYS A CB 8 ATOM 5132 S SG . CYS A 1 43 ? -16.594 0.153 -9.301 1.00 0.00 ? 43 CYS A SG 8 ATOM 5133 H H . CYS A 1 43 ? -17.603 -3.645 -8.413 1.00 0.00 ? 43 CYS A H 8 ATOM 5134 H HA . CYS A 1 43 ? -18.768 -0.970 -7.989 1.00 0.00 ? 43 CYS A HA 8 ATOM 5135 H HB2 . CYS A 1 43 ? -17.014 -2.035 -10.145 1.00 0.00 ? 43 CYS A HB2 8 ATOM 5136 H HB3 . CYS A 1 43 ? -18.278 -0.904 -10.617 1.00 0.00 ? 43 CYS A HB3 8 HETATM 5137 C C1 . NAG B 2 . ? 5.483 19.198 -21.707 1.00 0.00 ? 101 NAG A C1 8 HETATM 5138 C C2 . NAG B 2 . ? 5.977 20.281 -20.746 1.00 0.00 ? 101 NAG A C2 8 HETATM 5139 C C3 . NAG B 2 . ? 6.228 21.572 -21.532 1.00 0.00 ? 101 NAG A C3 8 HETATM 5140 C C4 . NAG B 2 . ? 7.167 21.258 -22.703 1.00 0.00 ? 101 NAG A C4 8 HETATM 5141 C C5 . NAG B 2 . ? 6.582 20.101 -23.515 1.00 0.00 ? 101 NAG A C5 8 HETATM 5142 C C6 . NAG B 2 . ? 7.498 19.803 -24.705 1.00 0.00 ? 101 NAG A C6 8 HETATM 5143 C C7 . NAG B 2 . ? 4.985 19.820 -18.569 1.00 0.00 ? 101 NAG A C7 8 HETATM 5144 C C8 . NAG B 2 . ? 3.943 20.070 -17.510 1.00 0.00 ? 101 NAG A C8 8 HETATM 5145 N N2 . NAG B 2 . ? 4.964 20.525 -19.717 1.00 0.00 ? 101 NAG A N2 8 HETATM 5146 O O3 . NAG B 2 . ? 6.832 22.549 -20.683 1.00 0.00 ? 101 NAG A O3 8 HETATM 5147 O O4 . NAG B 2 . ? 7.297 22.410 -23.537 1.00 0.00 ? 101 NAG A O4 8 HETATM 5148 O O5 . NAG B 2 . ? 6.477 18.939 -22.695 1.00 0.00 ? 101 NAG A O5 8 HETATM 5149 O O6 . NAG B 2 . ? 6.951 18.726 -25.469 1.00 0.00 ? 101 NAG A O6 8 HETATM 5150 O O7 . NAG B 2 . ? 5.845 18.985 -18.387 1.00 0.00 ? 101 NAG A O7 8 HETATM 5151 H H1 . NAG B 2 . ? 4.562 19.543 -22.200 1.00 0.00 ? 101 NAG A H1 8 HETATM 5152 H H2 . NAG B 2 . ? 6.910 19.951 -20.265 1.00 0.00 ? 101 NAG A H2 8 HETATM 5153 H H3 . NAG B 2 . ? 5.274 21.970 -21.908 1.00 0.00 ? 101 NAG A H3 8 HETATM 5154 H H4 . NAG B 2 . ? 8.158 20.979 -22.317 1.00 0.00 ? 101 NAG A H4 8 HETATM 5155 H H5 . NAG B 2 . ? 5.582 20.380 -23.879 1.00 0.00 ? 101 NAG A H5 8 HETATM 5156 H H61 . NAG B 2 . ? 7.602 20.699 -25.335 1.00 0.00 ? 101 NAG A H61 8 HETATM 5157 H H62 . NAG B 2 . ? 8.505 19.541 -24.349 1.00 0.00 ? 101 NAG A H62 8 HETATM 5158 H H81 . NAG B 2 . ? 3.972 21.127 -17.209 1.00 0.00 ? 101 NAG A H81 8 HETATM 5159 H H82 . NAG B 2 . ? 2.947 19.832 -17.913 1.00 0.00 ? 101 NAG A H82 8 HETATM 5160 H H83 . NAG B 2 . ? 4.146 19.433 -16.637 1.00 0.00 ? 101 NAG A H83 8 HETATM 5161 H HN2 . NAG B 2 . ? 4.255 21.214 -19.867 1.00 0.00 ? 101 NAG A HN2 8 HETATM 5162 H HO3 . NAG B 2 . ? 6.996 23.388 -21.203 1.00 0.00 ? 101 NAG A HO3 8 HETATM 5163 H HO4 . NAG B 2 . ? 8.200 22.411 -23.967 1.00 0.00 ? 101 NAG A HO4 8 HETATM 5164 H HO6 . NAG B 2 . ? 6.518 18.067 -24.854 1.00 0.00 ? 101 NAG A HO6 8 HETATM 5165 C C1 . NAG C 2 . ? -16.758 2.135 -9.284 1.00 0.00 ? 102 NAG A C1 8 HETATM 5166 C C2 . NAG C 2 . ? -17.206 3.560 -9.611 1.00 0.00 ? 102 NAG A C2 8 HETATM 5167 C C3 . NAG C 2 . ? -16.142 4.546 -9.117 1.00 0.00 ? 102 NAG A C3 8 HETATM 5168 C C4 . NAG C 2 . ? -15.868 4.269 -7.634 1.00 0.00 ? 102 NAG A C4 8 HETATM 5169 C C5 . NAG C 2 . ? -15.522 2.789 -7.457 1.00 0.00 ? 102 NAG A C5 8 HETATM 5170 C C6 . NAG C 2 . ? -15.217 2.513 -5.983 1.00 0.00 ? 102 NAG A C6 8 HETATM 5171 C C7 . NAG C 2 . ? -18.562 3.445 -11.632 1.00 0.00 ? 102 NAG A C7 8 HETATM 5172 C C8 . NAG C 2 . ? -18.731 3.592 -13.121 1.00 0.00 ? 102 NAG A C8 8 HETATM 5173 N N2 . NAG C 2 . ? -17.370 3.704 -11.059 1.00 0.00 ? 102 NAG A N2 8 HETATM 5174 O O3 . NAG C 2 . ? -16.608 5.887 -9.276 1.00 0.00 ? 102 NAG A O3 8 HETATM 5175 O O4 . NAG C 2 . ? -14.774 5.072 -7.188 1.00 0.00 ? 102 NAG A O4 8 HETATM 5176 O O5 . NAG C 2 . ? -16.622 1.983 -7.873 1.00 0.00 ? 102 NAG A O5 8 HETATM 5177 O O6 . NAG C 2 . ? -14.887 1.133 -5.816 1.00 0.00 ? 102 NAG A O6 8 HETATM 5178 O O7 . NAG C 2 . ? -19.499 3.093 -10.947 1.00 0.00 ? 102 NAG A O7 8 HETATM 5179 H H1 . NAG C 2 . ? -15.789 1.939 -9.766 1.00 0.00 ? 102 NAG A H1 8 HETATM 5180 H H2 . NAG C 2 . ? -18.165 3.770 -9.115 1.00 0.00 ? 102 NAG A H2 8 HETATM 5181 H H3 . NAG C 2 . ? -15.218 4.420 -9.701 1.00 0.00 ? 102 NAG A H3 8 HETATM 5182 H H4 . NAG C 2 . ? -16.762 4.517 -7.042 1.00 0.00 ? 102 NAG A H4 8 HETATM 5183 H H5 . NAG C 2 . ? -14.642 2.546 -8.069 1.00 0.00 ? 102 NAG A H5 8 HETATM 5184 H H61 . NAG C 2 . ? -14.381 3.144 -5.645 1.00 0.00 ? 102 NAG A H61 8 HETATM 5185 H H62 . NAG C 2 . ? -16.087 2.772 -5.362 1.00 0.00 ? 102 NAG A H62 8 HETATM 5186 H H81 . NAG C 2 . ? -17.841 4.079 -13.545 1.00 0.00 ? 102 NAG A H81 8 HETATM 5187 H H82 . NAG C 2 . ? -18.856 2.598 -13.576 1.00 0.00 ? 102 NAG A H82 8 HETATM 5188 H H83 . NAG C 2 . ? -19.620 4.205 -13.331 1.00 0.00 ? 102 NAG A H83 8 HETATM 5189 H HN2 . NAG C 2 . ? -16.597 3.993 -11.623 1.00 0.00 ? 102 NAG A HN2 8 HETATM 5190 H HO3 . NAG C 2 . ? -15.910 6.524 -8.950 1.00 0.00 ? 102 NAG A HO3 8 HETATM 5191 H HO4 . NAG C 2 . ? -14.889 5.284 -6.217 1.00 0.00 ? 102 NAG A HO4 8 HETATM 5192 H HO6 . NAG C 2 . ? -15.443 0.579 -6.437 1.00 0.00 ? 102 NAG A HO6 8 ATOM 5193 N N . LYS A 1 1 ? 2.315 -1.606 -3.504 1.00 0.00 ? 1 LYS A N 9 ATOM 5194 C CA . LYS A 1 1 ? 2.724 -1.161 -4.831 1.00 0.00 ? 1 LYS A CA 9 ATOM 5195 C C . LYS A 1 1 ? 4.244 -1.073 -4.930 1.00 0.00 ? 1 LYS A C 9 ATOM 5196 O O . LYS A 1 1 ? 4.953 -1.004 -3.926 1.00 0.00 ? 1 LYS A O 9 ATOM 5197 C CB . LYS A 1 1 ? 2.102 0.201 -5.149 1.00 0.00 ? 1 LYS A CB 9 ATOM 5198 C CG . LYS A 1 1 ? 0.732 0.106 -5.800 1.00 0.00 ? 1 LYS A CG 9 ATOM 5199 C CD . LYS A 1 1 ? -0.074 1.376 -5.588 1.00 0.00 ? 1 LYS A CD 9 ATOM 5200 C CE . LYS A 1 1 ? -1.569 1.094 -5.584 1.00 0.00 ? 1 LYS A CE 9 ATOM 5201 N NZ . LYS A 1 1 ? -2.039 0.618 -4.254 1.00 0.00 ? 1 LYS A NZ 9 ATOM 5202 H H1 . LYS A 1 1 ? 2.291 -2.566 -3.308 1.00 0.00 ? 1 LYS A H1 9 ATOM 5203 H HA . LYS A 1 1 ? 2.370 -1.886 -5.548 1.00 0.00 ? 1 LYS A HA 9 ATOM 5204 H HB2 . LYS A 1 1 ? 2.004 0.762 -4.232 1.00 0.00 ? 1 LYS A HB2 9 ATOM 5205 H HB3 . LYS A 1 1 ? 2.759 0.735 -5.820 1.00 0.00 ? 1 LYS A HB3 9 ATOM 5206 H HG2 . LYS A 1 1 ? 0.857 -0.056 -6.860 1.00 0.00 ? 1 LYS A HG2 9 ATOM 5207 H HG3 . LYS A 1 1 ? 0.195 -0.726 -5.367 1.00 0.00 ? 1 LYS A HG3 9 ATOM 5208 H HD2 . LYS A 1 1 ? 0.200 1.814 -4.640 1.00 0.00 ? 1 LYS A HD2 9 ATOM 5209 H HD3 . LYS A 1 1 ? 0.150 2.071 -6.385 1.00 0.00 ? 1 LYS A HD3 9 ATOM 5210 H HE2 . LYS A 1 1 ? -2.094 2.001 -5.839 1.00 0.00 ? 1 LYS A HE2 9 ATOM 5211 H HE3 . LYS A 1 1 ? -1.780 0.336 -6.324 1.00 0.00 ? 1 LYS A HE3 9 ATOM 5212 H HZ1 . LYS A 1 1 ? -1.928 -0.414 -4.184 1.00 0.00 ? 1 LYS A HZ1 9 ATOM 5213 H HZ2 . LYS A 1 1 ? -3.043 0.858 -4.124 1.00 0.00 ? 1 LYS A HZ2 9 ATOM 5214 H HZ3 . LYS A 1 1 ? -1.486 1.068 -3.497 1.00 0.00 ? 1 LYS A HZ3 9 ATOM 5215 N N . PRO A 1 2 ? 4.757 -1.073 -6.169 1.00 0.00 ? 2 PRO A N 9 ATOM 5216 C CA . PRO A 1 2 ? 6.198 -0.992 -6.429 1.00 0.00 ? 2 PRO A CA 9 ATOM 5217 C C . PRO A 1 2 ? 6.772 0.379 -6.086 1.00 0.00 ? 2 PRO A C 9 ATOM 5218 O O . PRO A 1 2 ? 6.108 1.200 -5.455 1.00 0.00 ? 2 PRO A O 9 ATOM 5219 C CB . PRO A 1 2 ? 6.302 -1.253 -7.934 1.00 0.00 ? 2 PRO A CB 9 ATOM 5220 C CG . PRO A 1 2 ? 4.980 -0.840 -8.483 1.00 0.00 ? 2 PRO A CG 9 ATOM 5221 C CD . PRO A 1 2 ? 3.972 -1.152 -7.412 1.00 0.00 ? 2 PRO A CD 9 ATOM 5222 H HA . PRO A 1 2 ? 6.742 -1.754 -5.891 1.00 0.00 ? 2 PRO A HA 9 ATOM 5223 H HB2 . PRO A 1 2 ? 7.106 -0.662 -8.349 1.00 0.00 ? 2 PRO A HB2 9 ATOM 5224 H HB3 . PRO A 1 2 ? 6.492 -2.302 -8.108 1.00 0.00 ? 2 PRO A HB3 9 ATOM 5225 H HG2 . PRO A 1 2 ? 4.986 0.218 -8.696 1.00 0.00 ? 2 PRO A HG2 9 ATOM 5226 H HG3 . PRO A 1 2 ? 4.763 -1.404 -9.378 1.00 0.00 ? 2 PRO A HG3 9 ATOM 5227 H HD2 . PRO A 1 2 ? 3.179 -0.419 -7.415 1.00 0.00 ? 2 PRO A HD2 9 ATOM 5228 H HD3 . PRO A 1 2 ? 3.570 -2.145 -7.550 1.00 0.00 ? 2 PRO A HD3 9 ATOM 5229 N N . ALA A 1 3 ? 8.010 0.618 -6.505 1.00 0.00 ? 3 ALA A N 9 ATOM 5230 C CA . ALA A 1 3 ? 8.673 1.890 -6.244 1.00 0.00 ? 3 ALA A CA 9 ATOM 5231 C C . ALA A 1 3 ? 8.394 2.893 -7.358 1.00 0.00 ? 3 ALA A C 9 ATOM 5232 O O . ALA A 1 3 ? 9.012 3.956 -7.418 1.00 0.00 ? 3 ALA A O 9 ATOM 5233 C CB . ALA A 1 3 ? 10.171 1.681 -6.082 1.00 0.00 ? 3 ALA A CB 9 ATOM 5234 H H . ALA A 1 3 ? 8.489 -0.077 -7.003 1.00 0.00 ? 3 ALA A H 9 ATOM 5235 H HA . ALA A 1 3 ? 8.286 2.283 -5.314 1.00 0.00 ? 3 ALA A HA 9 ATOM 5236 H HB1 . ALA A 1 3 ? 10.428 0.675 -6.381 1.00 0.00 ? 3 ALA A HB1 9 ATOM 5237 H HB2 . ALA A 1 3 ? 10.702 2.388 -6.701 1.00 0.00 ? 3 ALA A HB2 9 ATOM 5238 H HB3 . ALA A 1 3 ? 10.445 1.830 -5.048 1.00 0.00 ? 3 ALA A HB3 9 ATOM 5239 N N . TRP A 1 4 ? 7.461 2.548 -8.238 1.00 0.00 ? 4 TRP A N 9 ATOM 5240 C CA . TRP A 1 4 ? 7.102 3.420 -9.351 1.00 0.00 ? 4 TRP A CA 9 ATOM 5241 C C . TRP A 1 4 ? 5.746 4.076 -9.113 1.00 0.00 ? 4 TRP A C 9 ATOM 5242 O O . TRP A 1 4 ? 5.567 5.265 -9.375 1.00 0.00 ? 4 TRP A O 9 ATOM 5243 C CB . TRP A 1 4 ? 7.076 2.626 -10.659 1.00 0.00 ? 4 TRP A CB 9 ATOM 5244 C CG . TRP A 1 4 ? 7.803 1.319 -10.575 1.00 0.00 ? 4 TRP A CG 9 ATOM 5245 C CD1 . TRP A 1 4 ? 9.084 1.120 -10.145 1.00 0.00 ? 4 TRP A CD1 9 ATOM 5246 C CD2 . TRP A 1 4 ? 7.293 0.029 -10.932 1.00 0.00 ? 4 TRP A CD2 9 ATOM 5247 N NE1 . TRP A 1 4 ? 9.401 -0.216 -10.214 1.00 0.00 ? 4 TRP A NE1 9 ATOM 5248 C CE2 . TRP A 1 4 ? 8.319 -0.906 -10.692 1.00 0.00 ? 4 TRP A CE2 9 ATOM 5249 C CE3 . TRP A 1 4 ? 6.069 -0.426 -11.428 1.00 0.00 ? 4 TRP A CE3 9 ATOM 5250 C CZ2 . TRP A 1 4 ? 8.156 -2.267 -10.933 1.00 0.00 ? 4 TRP A CZ2 9 ATOM 5251 C CZ3 . TRP A 1 4 ? 5.909 -1.778 -11.667 1.00 0.00 ? 4 TRP A CZ3 9 ATOM 5252 C CH2 . TRP A 1 4 ? 6.947 -2.686 -11.419 1.00 0.00 ? 4 TRP A CH2 9 ATOM 5253 H H . TRP A 1 4 ? 7.003 1.687 -8.138 1.00 0.00 ? 4 TRP A H 9 ATOM 5254 H HA . TRP A 1 4 ? 7.854 4.191 -9.424 1.00 0.00 ? 4 TRP A HA 9 ATOM 5255 H HB2 . TRP A 1 4 ? 6.050 2.420 -10.927 1.00 0.00 ? 4 TRP A HB2 9 ATOM 5256 H HB3 . TRP A 1 4 ? 7.537 3.216 -11.438 1.00 0.00 ? 4 TRP A HB3 9 ATOM 5257 H HD1 . TRP A 1 4 ? 9.741 1.906 -9.807 1.00 0.00 ? 4 TRP A HD1 9 ATOM 5258 H HE1 . TRP A 1 4 ? 10.262 -0.609 -9.959 1.00 0.00 ? 4 TRP A HE1 9 ATOM 5259 H HE3 . TRP A 1 4 ? 5.257 0.258 -11.625 1.00 0.00 ? 4 TRP A HE3 9 ATOM 5260 H HZ2 . TRP A 1 4 ? 8.946 -2.979 -10.747 1.00 0.00 ? 4 TRP A HZ2 9 ATOM 5261 H HZ3 . TRP A 1 4 ? 4.970 -2.149 -12.051 1.00 0.00 ? 4 TRP A HZ3 9 ATOM 5262 H HH2 . TRP A 1 4 ? 6.778 -3.732 -11.621 1.00 0.00 ? 4 TRP A HH2 9 ATOM 5263 N N . CYS A 1 5 ? 4.794 3.293 -8.616 1.00 0.00 ? 5 CYS A N 9 ATOM 5264 C CA . CYS A 1 5 ? 3.454 3.798 -8.342 1.00 0.00 ? 5 CYS A CA 9 ATOM 5265 C C . CYS A 1 5 ? 3.355 4.332 -6.916 1.00 0.00 ? 5 CYS A C 9 ATOM 5266 O O . CYS A 1 5 ? 4.364 4.484 -6.228 1.00 0.00 ? 5 CYS A O 9 ATOM 5267 C CB . CYS A 1 5 ? 2.417 2.694 -8.559 1.00 0.00 ? 5 CYS A CB 9 ATOM 5268 S SG . CYS A 1 5 ? 2.671 1.722 -10.078 1.00 0.00 ? 5 CYS A SG 9 ATOM 5269 H H . CYS A 1 5 ? 4.998 2.352 -8.428 1.00 0.00 ? 5 CYS A H 9 ATOM 5270 H HA . CYS A 1 5 ? 3.257 4.605 -9.031 1.00 0.00 ? 5 CYS A HA 9 ATOM 5271 H HB2 . CYS A 1 5 ? 2.450 2.011 -7.723 1.00 0.00 ? 5 CYS A HB2 9 ATOM 5272 H HB3 . CYS A 1 5 ? 1.434 3.140 -8.613 1.00 0.00 ? 5 CYS A HB3 9 ATOM 5273 N N . TRP A 1 6 ? 2.132 4.615 -6.481 1.00 0.00 ? 6 TRP A N 9 ATOM 5274 C CA . TRP A 1 6 ? 1.901 5.133 -5.137 1.00 0.00 ? 6 TRP A CA 9 ATOM 5275 C C . TRP A 1 6 ? 0.461 4.888 -4.700 1.00 0.00 ? 6 TRP A C 9 ATOM 5276 O O . TRP A 1 6 ? 0.210 4.426 -3.587 1.00 0.00 ? 6 TRP A O 9 ATOM 5277 C CB . TRP A 1 6 ? 2.215 6.629 -5.083 1.00 0.00 ? 6 TRP A CB 9 ATOM 5278 C CG . TRP A 1 6 ? 2.945 7.038 -3.839 1.00 0.00 ? 6 TRP A CG 9 ATOM 5279 C CD1 . TRP A 1 6 ? 4.277 7.312 -3.723 1.00 0.00 ? 6 TRP A CD1 9 ATOM 5280 C CD2 . TRP A 1 6 ? 2.381 7.216 -2.535 1.00 0.00 ? 6 TRP A CD2 9 ATOM 5281 N NE1 . TRP A 1 6 ? 4.577 7.650 -2.425 1.00 0.00 ? 6 TRP A NE1 9 ATOM 5282 C CE2 . TRP A 1 6 ? 3.430 7.600 -1.677 1.00 0.00 ? 6 TRP A CE2 9 ATOM 5283 C CE3 . TRP A 1 6 ? 1.092 7.092 -2.009 1.00 0.00 ? 6 TRP A CE3 9 ATOM 5284 C CZ2 . TRP A 1 6 ? 3.228 7.858 -0.324 1.00 0.00 ? 6 TRP A CZ2 9 ATOM 5285 C CZ3 . TRP A 1 6 ? 0.894 7.348 -0.666 1.00 0.00 ? 6 TRP A CZ3 9 ATOM 5286 C CH2 . TRP A 1 6 ? 1.956 7.728 0.164 1.00 0.00 ? 6 TRP A CH2 9 ATOM 5287 H H . TRP A 1 6 ? 1.367 4.473 -7.077 1.00 0.00 ? 6 TRP A H 9 ATOM 5288 H HA . TRP A 1 6 ? 2.563 4.610 -4.463 1.00 0.00 ? 6 TRP A HA 9 ATOM 5289 H HB2 . TRP A 1 6 ? 2.830 6.892 -5.931 1.00 0.00 ? 6 TRP A HB2 9 ATOM 5290 H HB3 . TRP A 1 6 ? 1.290 7.185 -5.126 1.00 0.00 ? 6 TRP A HB3 9 ATOM 5291 H HD1 . TRP A 1 6 ? 4.981 7.263 -4.540 1.00 0.00 ? 6 TRP A HD1 9 ATOM 5292 H HE1 . TRP A 1 6 ? 5.466 7.890 -2.091 1.00 0.00 ? 6 TRP A HE1 9 ATOM 5293 H HE3 . TRP A 1 6 ? 0.261 6.800 -2.633 1.00 0.00 ? 6 TRP A HE3 9 ATOM 5294 H HZ2 . TRP A 1 6 ? 4.037 8.152 0.329 1.00 0.00 ? 6 TRP A HZ2 9 ATOM 5295 H HZ3 . TRP A 1 6 ? -0.095 7.256 -0.241 1.00 0.00 ? 6 TRP A HZ3 9 ATOM 5296 H HH2 . TRP A 1 6 ? 1.755 7.918 1.207 1.00 0.00 ? 6 TRP A HH2 9 ATOM 5297 N N . TYR A 1 7 ? -0.482 5.199 -5.583 1.00 0.00 ? 7 TYR A N 9 ATOM 5298 C CA . TYR A 1 7 ? -1.898 5.014 -5.287 1.00 0.00 ? 7 TYR A CA 9 ATOM 5299 C C . TYR A 1 7 ? -2.751 5.269 -6.525 1.00 0.00 ? 7 TYR A C 9 ATOM 5300 O O . TYR A 1 7 ? -2.236 5.377 -7.639 1.00 0.00 ? 7 TYR A O 9 ATOM 5301 C CB . TYR A 1 7 ? -2.329 5.948 -4.155 1.00 0.00 ? 7 TYR A CB 9 ATOM 5302 C CG . TYR A 1 7 ? -3.233 5.288 -3.137 1.00 0.00 ? 7 TYR A CG 9 ATOM 5303 C CD1 . TYR A 1 7 ? -2.850 4.117 -2.495 1.00 0.00 ? 7 TYR A CD1 9 ATOM 5304 C CD2 . TYR A 1 7 ? -4.468 5.838 -2.817 1.00 0.00 ? 7 TYR A CD2 9 ATOM 5305 C CE1 . TYR A 1 7 ? -3.673 3.511 -1.565 1.00 0.00 ? 7 TYR A CE1 9 ATOM 5306 C CE2 . TYR A 1 7 ? -5.296 5.239 -1.887 1.00 0.00 ? 7 TYR A CE2 9 ATOM 5307 C CZ . TYR A 1 7 ? -4.894 4.076 -1.264 1.00 0.00 ? 7 TYR A CZ 9 ATOM 5308 O OH . TYR A 1 7 ? -5.716 3.476 -0.338 1.00 0.00 ? 7 TYR A OH 9 ATOM 5309 H H . TYR A 1 7 ? -0.220 5.563 -6.454 1.00 0.00 ? 7 TYR A H 9 ATOM 5310 H HA . TYR A 1 7 ? -2.039 3.991 -4.970 1.00 0.00 ? 7 TYR A HA 9 ATOM 5311 H HB2 . TYR A 1 7 ? -1.452 6.304 -3.637 1.00 0.00 ? 7 TYR A HB2 9 ATOM 5312 H HB3 . TYR A 1 7 ? -2.861 6.789 -4.575 1.00 0.00 ? 7 TYR A HB3 9 ATOM 5313 H HD1 . TYR A 1 7 ? -1.892 3.677 -2.733 1.00 0.00 ? 7 TYR A HD1 9 ATOM 5314 H HD2 . TYR A 1 7 ? -4.780 6.749 -3.306 1.00 0.00 ? 7 TYR A HD2 9 ATOM 5315 H HE1 . TYR A 1 7 ? -3.358 2.600 -1.078 1.00 0.00 ? 7 TYR A HE1 9 ATOM 5316 H HE2 . TYR A 1 7 ? -6.253 5.681 -1.651 1.00 0.00 ? 7 TYR A HE2 9 ATOM 5317 H HH . TYR A 1 7 ? -6.597 3.380 -0.706 1.00 0.00 ? 7 TYR A HH 9 ATOM 5318 N N . THR A 1 8 ? -4.062 5.365 -6.323 1.00 0.00 ? 8 THR A N 9 ATOM 5319 C CA . THR A 1 8 ? -4.989 5.607 -7.422 1.00 0.00 ? 8 THR A CA 9 ATOM 5320 C C . THR A 1 8 ? -5.349 7.084 -7.522 1.00 0.00 ? 8 THR A C 9 ATOM 5321 O O . THR A 1 8 ? -6.402 7.443 -8.051 1.00 0.00 ? 8 THR A O 9 ATOM 5322 C CB . THR A 1 8 ? -6.281 4.785 -7.257 1.00 0.00 ? 8 THR A CB 9 ATOM 5323 O OG1 . THR A 1 8 ? -5.971 3.480 -6.756 1.00 0.00 ? 8 THR A OG1 9 ATOM 5324 C CG2 . THR A 1 8 ? -7.017 4.663 -8.583 1.00 0.00 ? 8 THR A CG2 9 ATOM 5325 H H . THR A 1 8 ? -4.412 5.270 -5.413 1.00 0.00 ? 8 THR A H 9 ATOM 5326 H HA . THR A 1 8 ? -4.506 5.300 -8.339 1.00 0.00 ? 8 THR A HA 9 ATOM 5327 H HB . THR A 1 8 ? -6.924 5.290 -6.550 1.00 0.00 ? 8 THR A HB 9 ATOM 5328 H HG1 . THR A 1 8 ? -6.785 2.989 -6.616 1.00 0.00 ? 8 THR A HG1 9 ATOM 5329 H HG21 . THR A 1 8 ? -6.527 5.276 -9.324 1.00 0.00 ? 8 THR A HG21 9 ATOM 5330 H HG22 . THR A 1 8 ? -8.038 4.994 -8.460 1.00 0.00 ? 8 THR A HG22 9 ATOM 5331 H HG23 . THR A 1 8 ? -7.009 3.633 -8.905 1.00 0.00 ? 8 THR A HG23 9 ATOM 5332 N N . LEU A 1 9 ? -4.469 7.939 -7.012 1.00 0.00 ? 9 LEU A N 9 ATOM 5333 C CA . LEU A 1 9 ? -4.694 9.380 -7.044 1.00 0.00 ? 9 LEU A CA 9 ATOM 5334 C C . LEU A 1 9 ? -4.627 9.909 -8.473 1.00 0.00 ? 9 LEU A C 9 ATOM 5335 O O . LEU A 1 9 ? -5.269 10.904 -8.808 1.00 0.00 ? 9 LEU A O 9 ATOM 5336 C CB . LEU A 1 9 ? -3.661 10.097 -6.174 1.00 0.00 ? 9 LEU A CB 9 ATOM 5337 C CG . LEU A 1 9 ? -4.080 10.378 -4.730 1.00 0.00 ? 9 LEU A CG 9 ATOM 5338 C CD1 . LEU A 1 9 ? -3.025 9.870 -3.760 1.00 0.00 ? 9 LEU A CD1 9 ATOM 5339 C CD2 . LEU A 1 9 ? -4.323 11.866 -4.525 1.00 0.00 ? 9 LEU A CD2 9 ATOM 5340 H H . LEU A 1 9 ? -3.648 7.594 -6.603 1.00 0.00 ? 9 LEU A H 9 ATOM 5341 H HA . LEU A 1 9 ? -5.681 9.570 -6.649 1.00 0.00 ? 9 LEU A HA 9 ATOM 5342 H HB2 . LEU A 1 9 ? -2.771 9.488 -6.147 1.00 0.00 ? 9 LEU A HB2 9 ATOM 5343 H HB3 . LEU A 1 9 ? -3.434 11.044 -6.643 1.00 0.00 ? 9 LEU A HB3 9 ATOM 5344 H HG . LEU A 1 9 ? -5.003 9.856 -4.521 1.00 0.00 ? 9 LEU A HG 9 ATOM 5345 H HD11 . LEU A 1 9 ? -3.493 9.606 -2.824 1.00 0.00 ? 9 LEU A HD11 9 ATOM 5346 H HD12 . LEU A 1 9 ? -2.290 10.643 -3.589 1.00 0.00 ? 9 LEU A HD12 9 ATOM 5347 H HD13 . LEU A 1 9 ? -2.540 9.000 -4.179 1.00 0.00 ? 9 LEU A HD13 9 ATOM 5348 H HD21 . LEU A 1 9 ? -4.502 12.061 -3.478 1.00 0.00 ? 9 LEU A HD21 9 ATOM 5349 H HD22 . LEU A 1 9 ? -5.183 12.173 -5.101 1.00 0.00 ? 9 LEU A HD22 9 ATOM 5350 H HD23 . LEU A 1 9 ? -3.455 12.421 -4.852 1.00 0.00 ? 9 LEU A HD23 9 ATOM 5351 N N . ALA A 1 10 ? -3.846 9.235 -9.312 1.00 0.00 ? 10 ALA A N 9 ATOM 5352 C CA . ALA A 1 10 ? -3.698 9.635 -10.706 1.00 0.00 ? 10 ALA A CA 9 ATOM 5353 C C . ALA A 1 10 ? -3.042 11.007 -10.817 1.00 0.00 ? 10 ALA A C 9 ATOM 5354 O O . ALA A 1 10 ? -3.651 11.959 -11.303 1.00 0.00 ? 10 ALA A O 9 ATOM 5355 C CB . ALA A 1 10 ? -5.052 9.638 -11.401 1.00 0.00 ? 10 ALA A CB 9 ATOM 5356 H H . ALA A 1 10 ? -3.360 8.450 -8.986 1.00 0.00 ? 10 ALA A H 9 ATOM 5357 H HA . ALA A 1 10 ? -3.071 8.906 -11.198 1.00 0.00 ? 10 ALA A HA 9 ATOM 5358 H HB1 . ALA A 1 10 ? -5.626 8.783 -11.073 1.00 0.00 ? 10 ALA A HB1 9 ATOM 5359 H HB2 . ALA A 1 10 ? -5.583 10.544 -11.152 1.00 0.00 ? 10 ALA A HB2 9 ATOM 5360 H HB3 . ALA A 1 10 ? -4.908 9.586 -12.470 1.00 0.00 ? 10 ALA A HB3 9 ATOM 5361 N N . MET A 1 11 ? -1.796 11.100 -10.363 1.00 0.00 ? 11 MET A N 9 ATOM 5362 C CA . MET A 1 11 ? -1.058 12.356 -10.412 1.00 0.00 ? 11 MET A CA 9 ATOM 5363 C C . MET A 1 11 ? -1.078 12.944 -11.820 1.00 0.00 ? 11 MET A C 9 ATOM 5364 O O . MET A 1 11 ? -1.704 13.976 -12.064 1.00 0.00 ? 11 MET A O 9 ATOM 5365 C CB . MET A 1 11 ? 0.387 12.141 -9.957 1.00 0.00 ? 11 MET A CB 9 ATOM 5366 C CG . MET A 1 11 ? 0.503 11.542 -8.565 1.00 0.00 ? 11 MET A CG 9 ATOM 5367 S SD . MET A 1 11 ? 0.221 12.755 -7.261 1.00 0.00 ? 11 MET A SD 9 ATOM 5368 C CE . MET A 1 11 ? -0.998 11.902 -6.263 1.00 0.00 ? 11 MET A CE 9 ATOM 5369 H H . MET A 1 11 ? -1.363 10.306 -9.986 1.00 0.00 ? 11 MET A H 9 ATOM 5370 H HA . MET A 1 11 ? -1.538 13.050 -9.738 1.00 0.00 ? 11 MET A HA 9 ATOM 5371 H HB2 . MET A 1 11 ? 0.876 11.477 -10.654 1.00 0.00 ? 11 MET A HB2 9 ATOM 5372 H HB3 . MET A 1 11 ? 0.898 13.092 -9.959 1.00 0.00 ? 11 MET A HB3 9 ATOM 5373 H HG2 . MET A 1 11 ? -0.226 10.752 -8.465 1.00 0.00 ? 11 MET A HG2 9 ATOM 5374 H HG3 . MET A 1 11 ? 1.494 11.130 -8.447 1.00 0.00 ? 11 MET A HG3 9 ATOM 5375 H HE1 . MET A 1 11 ? -0.572 11.668 -5.298 1.00 0.00 ? 11 MET A HE1 9 ATOM 5376 H HE2 . MET A 1 11 ? -1.862 12.536 -6.131 1.00 0.00 ? 11 MET A HE2 9 ATOM 5377 H HE3 . MET A 1 11 ? -1.293 10.989 -6.759 1.00 0.00 ? 11 MET A HE3 9 ATOM 5378 N N . CYS A 1 12 ? -0.388 12.281 -12.742 1.00 0.00 ? 12 CYS A N 9 ATOM 5379 C CA . CYS A 1 12 ? -0.326 12.738 -14.126 1.00 0.00 ? 12 CYS A CA 9 ATOM 5380 C C . CYS A 1 12 ? -1.727 12.928 -14.699 1.00 0.00 ? 12 CYS A C 9 ATOM 5381 O O . CYS A 1 12 ? -2.689 12.321 -14.231 1.00 0.00 ? 12 CYS A O 9 ATOM 5382 C CB . CYS A 1 12 ? 0.455 11.738 -14.980 1.00 0.00 ? 12 CYS A CB 9 ATOM 5383 S SG . CYS A 1 12 ? -0.437 10.183 -15.307 1.00 0.00 ? 12 CYS A SG 9 ATOM 5384 H H . CYS A 1 12 ? 0.091 11.465 -12.487 1.00 0.00 ? 12 CYS A H 9 ATOM 5385 H HA . CYS A 1 12 ? 0.187 13.687 -14.139 1.00 0.00 ? 12 CYS A HA 9 ATOM 5386 H HB2 . CYS A 1 12 ? 0.684 12.192 -15.933 1.00 0.00 ? 12 CYS A HB2 9 ATOM 5387 H HB3 . CYS A 1 12 ? 1.377 11.488 -14.476 1.00 0.00 ? 12 CYS A HB3 9 ATOM 5388 N N . GLY A 1 13 ? -1.834 13.777 -15.717 1.00 0.00 ? 13 GLY A N 9 ATOM 5389 C CA . GLY A 1 13 ? -3.120 14.033 -16.339 1.00 0.00 ? 13 GLY A CA 9 ATOM 5390 C C . GLY A 1 13 ? -3.735 15.341 -15.882 1.00 0.00 ? 13 GLY A C 9 ATOM 5391 O O . GLY A 1 13 ? -4.410 16.020 -16.655 1.00 0.00 ? 13 GLY A O 9 ATOM 5392 H H . GLY A 1 13 ? -1.032 14.233 -16.049 1.00 0.00 ? 13 GLY A H 9 ATOM 5393 H HA2 . GLY A 1 13 ? -2.991 14.062 -17.410 1.00 0.00 ? 13 GLY A HA2 9 ATOM 5394 H HA3 . GLY A 1 13 ? -3.794 13.226 -16.089 1.00 0.00 ? 13 GLY A HA3 9 ATOM 5395 N N . ALA A 1 14 ? -3.502 15.695 -14.623 1.00 0.00 ? 14 ALA A N 9 ATOM 5396 C CA . ALA A 1 14 ? -4.037 16.930 -14.065 1.00 0.00 ? 14 ALA A CA 9 ATOM 5397 C C . ALA A 1 14 ? -2.994 18.043 -14.093 1.00 0.00 ? 14 ALA A C 9 ATOM 5398 O O . ALA A 1 14 ? -3.058 18.986 -13.307 1.00 0.00 ? 14 ALA A O 9 ATOM 5399 C CB . ALA A 1 14 ? -4.527 16.699 -12.643 1.00 0.00 ? 14 ALA A CB 9 ATOM 5400 H H . ALA A 1 14 ? -2.956 15.111 -14.055 1.00 0.00 ? 14 ALA A H 9 ATOM 5401 H HA . ALA A 1 14 ? -4.884 17.229 -14.666 1.00 0.00 ? 14 ALA A HA 9 ATOM 5402 H HB1 . ALA A 1 14 ? -4.854 17.637 -12.218 1.00 0.00 ? 14 ALA A HB1 9 ATOM 5403 H HB2 . ALA A 1 14 ? -5.351 16.002 -12.655 1.00 0.00 ? 14 ALA A HB2 9 ATOM 5404 H HB3 . ALA A 1 14 ? -3.722 16.295 -12.047 1.00 0.00 ? 14 ALA A HB3 9 ATOM 5405 N N . GLY A 1 15 ? -2.034 17.924 -15.005 1.00 0.00 ? 15 GLY A N 9 ATOM 5406 C CA . GLY A 1 15 ? -0.990 18.926 -15.118 1.00 0.00 ? 15 GLY A CA 9 ATOM 5407 C C . GLY A 1 15 ? 0.303 18.493 -14.457 1.00 0.00 ? 15 GLY A C 9 ATOM 5408 O O . GLY A 1 15 ? 1.356 19.087 -14.690 1.00 0.00 ? 15 GLY A O 9 ATOM 5409 H H . GLY A 1 15 ? -2.034 17.150 -15.606 1.00 0.00 ? 15 GLY A H 9 ATOM 5410 H HA2 . GLY A 1 15 ? -0.802 19.118 -16.163 1.00 0.00 ? 15 GLY A HA2 9 ATOM 5411 H HA3 . GLY A 1 15 ? -1.332 19.839 -14.651 1.00 0.00 ? 15 GLY A HA3 9 ATOM 5412 N N . TYR A 1 16 ? 0.225 17.458 -13.629 1.00 0.00 ? 16 TYR A N 9 ATOM 5413 C CA . TYR A 1 16 ? 1.398 16.948 -12.928 1.00 0.00 ? 16 TYR A CA 9 ATOM 5414 C C . TYR A 1 16 ? 2.507 16.590 -13.913 1.00 0.00 ? 16 TYR A C 9 ATOM 5415 O O . TYR A 1 16 ? 3.691 16.656 -13.582 1.00 0.00 ? 16 TYR A O 9 ATOM 5416 C CB . TYR A 1 16 ? 1.026 15.722 -12.093 1.00 0.00 ? 16 TYR A CB 9 ATOM 5417 C CG . TYR A 1 16 ? 0.727 16.044 -10.646 1.00 0.00 ? 16 TYR A CG 9 ATOM 5418 C CD1 . TYR A 1 16 ? -0.457 16.673 -10.284 1.00 0.00 ? 16 TYR A CD1 9 ATOM 5419 C CD2 . TYR A 1 16 ? 1.629 15.717 -9.640 1.00 0.00 ? 16 TYR A CD2 9 ATOM 5420 C CE1 . TYR A 1 16 ? -0.734 16.969 -8.963 1.00 0.00 ? 16 TYR A CE1 9 ATOM 5421 C CE2 . TYR A 1 16 ? 1.360 16.007 -8.317 1.00 0.00 ? 16 TYR A CE2 9 ATOM 5422 C CZ . TYR A 1 16 ? 0.178 16.634 -7.983 1.00 0.00 ? 16 TYR A CZ 9 ATOM 5423 O OH . TYR A 1 16 ? -0.095 16.926 -6.667 1.00 0.00 ? 16 TYR A OH 9 ATOM 5424 H H . TYR A 1 16 ? -0.643 17.026 -13.484 1.00 0.00 ? 16 TYR A H 9 ATOM 5425 H HA . TYR A 1 16 ? 1.754 17.726 -12.269 1.00 0.00 ? 16 TYR A HA 9 ATOM 5426 H HB2 . TYR A 1 16 ? 0.149 15.258 -12.517 1.00 0.00 ? 16 TYR A HB2 9 ATOM 5427 H HB3 . TYR A 1 16 ? 1.846 15.019 -12.114 1.00 0.00 ? 16 TYR A HB3 9 ATOM 5428 H HD1 . TYR A 1 16 ? -1.169 16.934 -11.053 1.00 0.00 ? 16 TYR A HD1 9 ATOM 5429 H HD2 . TYR A 1 16 ? 2.554 15.226 -9.905 1.00 0.00 ? 16 TYR A HD2 9 ATOM 5430 H HE1 . TYR A 1 16 ? -1.660 17.460 -8.701 1.00 0.00 ? 16 TYR A HE1 9 ATOM 5431 H HE2 . TYR A 1 16 ? 2.073 15.746 -7.549 1.00 0.00 ? 16 TYR A HE2 9 ATOM 5432 H HH . TYR A 1 16 ? 0.342 17.746 -6.424 1.00 0.00 ? 16 TYR A HH 9 ATOM 5433 N N . ASP A 1 17 ? 2.114 16.211 -15.124 1.00 0.00 ? 17 ASP A N 9 ATOM 5434 C CA . ASP A 1 17 ? 3.074 15.843 -16.158 1.00 0.00 ? 17 ASP A CA 9 ATOM 5435 C C . ASP A 1 17 ? 2.842 16.657 -17.428 1.00 0.00 ? 17 ASP A C 9 ATOM 5436 O O . ASP A 1 17 ? 2.009 17.562 -17.453 1.00 0.00 ? 17 ASP A O 9 ATOM 5437 C CB . ASP A 1 17 ? 2.973 14.349 -16.470 1.00 0.00 ? 17 ASP A CB 9 ATOM 5438 C CG . ASP A 1 17 ? 3.330 13.484 -15.277 1.00 0.00 ? 17 ASP A CG 9 ATOM 5439 O OD1 . ASP A 1 17 ? 2.676 13.627 -14.223 1.00 0.00 ? 17 ASP A OD1 9 ATOM 5440 O OD2 . ASP A 1 17 ? 4.263 12.663 -15.399 1.00 0.00 ? 17 ASP A OD2 9 ATOM 5441 H H . ASP A 1 17 ? 1.156 16.178 -15.327 1.00 0.00 ? 17 ASP A H 9 ATOM 5442 H HA . ASP A 1 17 ? 4.063 16.057 -15.784 1.00 0.00 ? 17 ASP A HA 9 ATOM 5443 H HB2 . ASP A 1 17 ? 1.961 14.118 -16.768 1.00 0.00 ? 17 ASP A HB2 9 ATOM 5444 H HB3 . ASP A 1 17 ? 3.646 14.111 -17.280 1.00 0.00 ? 17 ASP A HB3 9 ATOM 5445 N N . SER A 1 18 ? 3.586 16.328 -18.479 1.00 0.00 ? 18 SER A N 9 ATOM 5446 C CA . SER A 1 18 ? 3.466 17.031 -19.751 1.00 0.00 ? 18 SER A CA 9 ATOM 5447 C C . SER A 1 18 ? 2.323 16.457 -20.583 1.00 0.00 ? 18 SER A C 9 ATOM 5448 O O . SER A 1 18 ? 2.621 15.483 -21.273 1.00 0.00 ? 18 SER A O 9 ATOM 5449 C CB . SER A 1 18 ? 4.777 16.942 -20.534 1.00 0.00 ? 18 SER A CB 9 ATOM 5450 O OG . SER A 1 18 ? 5.715 17.897 -20.070 1.00 0.00 ? 18 SER A OG 9 ATOM 5451 H H . SER A 1 18 ? 4.234 15.597 -18.396 1.00 0.00 ? 18 SER A H 9 ATOM 5452 H HA . SER A 1 18 ? 3.254 18.069 -19.537 1.00 0.00 ? 18 SER A HA 9 ATOM 5453 H HB2 . SER A 1 18 ? 5.198 15.955 -20.414 1.00 0.00 ? 18 SER A HB2 9 ATOM 5454 H HB3 . SER A 1 18 ? 4.582 17.125 -21.580 1.00 0.00 ? 18 SER A HB3 9 ATOM 5455 N N . GLY A 1 19 ? 1.189 16.498 -19.866 1.00 0.00 ? 19 GLY A N 9 ATOM 5456 C CA . GLY A 1 19 ? 0.238 15.403 -19.904 1.00 0.00 ? 19 GLY A CA 9 ATOM 5457 C C . GLY A 1 19 ? 0.851 14.121 -20.432 1.00 0.00 ? 19 GLY A C 9 ATOM 5458 O O . GLY A 1 19 ? 0.640 13.752 -21.588 1.00 0.00 ? 19 GLY A O 9 ATOM 5459 H H . GLY A 1 19 ? 1.000 17.290 -19.319 1.00 0.00 ? 19 GLY A H 9 ATOM 5460 H HA2 . GLY A 1 19 ? -0.133 15.227 -18.906 1.00 0.00 ? 19 GLY A HA2 9 ATOM 5461 H HA3 . GLY A 1 19 ? -0.589 15.681 -20.541 1.00 0.00 ? 19 GLY A HA3 9 ATOM 5462 N N . THR A 1 20 ? 1.616 13.439 -19.585 1.00 0.00 ? 20 THR A N 9 ATOM 5463 C CA . THR A 1 20 ? 2.264 12.193 -19.973 1.00 0.00 ? 20 THR A CA 9 ATOM 5464 C C . THR A 1 20 ? 2.472 11.283 -18.768 1.00 0.00 ? 20 THR A C 9 ATOM 5465 O O . THR A 1 20 ? 2.854 11.740 -17.690 1.00 0.00 ? 20 THR A O 9 ATOM 5466 C CB . THR A 1 20 ? 3.625 12.454 -20.646 1.00 0.00 ? 20 THR A CB 9 ATOM 5467 O OG1 . THR A 1 20 ? 4.095 11.260 -21.281 1.00 0.00 ? 20 THR A OG1 9 ATOM 5468 C CG2 . THR A 1 20 ? 4.650 12.930 -19.627 1.00 0.00 ? 20 THR A CG2 9 ATOM 5469 H H . THR A 1 20 ? 1.746 13.784 -18.677 1.00 0.00 ? 20 THR A H 9 ATOM 5470 H HA . THR A 1 20 ? 1.624 11.692 -20.685 1.00 0.00 ? 20 THR A HA 9 ATOM 5471 H HB . THR A 1 20 ? 3.498 13.224 -21.394 1.00 0.00 ? 20 THR A HB 9 ATOM 5472 H HG1 . THR A 1 20 ? 4.455 11.477 -22.144 1.00 0.00 ? 20 THR A HG1 9 ATOM 5473 H HG21 . THR A 1 20 ? 4.288 13.825 -19.144 1.00 0.00 ? 20 THR A HG21 9 ATOM 5474 H HG22 . THR A 1 20 ? 5.582 13.144 -20.128 1.00 0.00 ? 20 THR A HG22 9 ATOM 5475 H HG23 . THR A 1 20 ? 4.807 12.159 -18.888 1.00 0.00 ? 20 THR A HG23 9 ATOM 5476 N N . CYS A 1 21 ? 2.220 9.992 -18.957 1.00 0.00 ? 21 CYS A N 9 ATOM 5477 C CA . CYS A 1 21 ? 2.380 9.016 -17.886 1.00 0.00 ? 21 CYS A CA 9 ATOM 5478 C C . CYS A 1 21 ? 3.295 7.875 -18.321 1.00 0.00 ? 21 CYS A C 9 ATOM 5479 O O . CYS A 1 21 ? 3.859 7.901 -19.415 1.00 0.00 ? 21 CYS A O 9 ATOM 5480 C CB . CYS A 1 21 ? 1.018 8.460 -17.466 1.00 0.00 ? 21 CYS A CB 9 ATOM 5481 S SG . CYS A 1 21 ? -0.265 9.733 -17.235 1.00 0.00 ? 21 CYS A SG 9 ATOM 5482 H H . CYS A 1 21 ? 1.919 9.688 -19.839 1.00 0.00 ? 21 CYS A H 9 ATOM 5483 H HA . CYS A 1 21 ? 2.829 9.519 -17.043 1.00 0.00 ? 21 CYS A HA 9 ATOM 5484 H HB2 . CYS A 1 21 ? 0.668 7.776 -18.226 1.00 0.00 ? 21 CYS A HB2 9 ATOM 5485 H HB3 . CYS A 1 21 ? 1.126 7.929 -16.533 1.00 0.00 ? 21 CYS A HB3 9 ATOM 5486 N N . ASP A 1 22 ? 3.437 6.876 -17.457 1.00 0.00 ? 22 ASP A N 9 ATOM 5487 C CA . ASP A 1 22 ? 4.283 5.725 -17.752 1.00 0.00 ? 22 ASP A CA 9 ATOM 5488 C C . ASP A 1 22 ? 3.835 4.504 -16.955 1.00 0.00 ? 22 ASP A C 9 ATOM 5489 O O . ASP A 1 22 ? 3.210 3.592 -17.496 1.00 0.00 ? 22 ASP A O 9 ATOM 5490 C CB . ASP A 1 22 ? 5.745 6.046 -17.440 1.00 0.00 ? 22 ASP A CB 9 ATOM 5491 C CG . ASP A 1 22 ? 6.579 6.222 -18.693 1.00 0.00 ? 22 ASP A CG 9 ATOM 5492 O OD1 . ASP A 1 22 ? 6.459 5.382 -19.610 1.00 0.00 ? 22 ASP A OD1 9 ATOM 5493 O OD2 . ASP A 1 22 ? 7.353 7.200 -18.758 1.00 0.00 ? 22 ASP A OD2 9 ATOM 5494 H H . ASP A 1 22 ? 2.962 6.914 -16.601 1.00 0.00 ? 22 ASP A H 9 ATOM 5495 H HA . ASP A 1 22 ? 4.189 5.506 -18.805 1.00 0.00 ? 22 ASP A HA 9 ATOM 5496 H HB2 . ASP A 1 22 ? 5.792 6.961 -16.867 1.00 0.00 ? 22 ASP A HB2 9 ATOM 5497 H HB3 . ASP A 1 22 ? 6.167 5.240 -16.858 1.00 0.00 ? 22 ASP A HB3 9 ATOM 5498 N N . TYR A 1 23 ? 4.160 4.493 -15.667 1.00 0.00 ? 23 TYR A N 9 ATOM 5499 C CA . TYR A 1 23 ? 3.795 3.383 -14.796 1.00 0.00 ? 23 TYR A CA 9 ATOM 5500 C C . TYR A 1 23 ? 2.280 3.274 -14.658 1.00 0.00 ? 23 TYR A C 9 ATOM 5501 O O . TYR A 1 23 ? 1.746 2.201 -14.378 1.00 0.00 ? 23 TYR A O 9 ATOM 5502 C CB . TYR A 1 23 ? 4.433 3.558 -13.416 1.00 0.00 ? 23 TYR A CB 9 ATOM 5503 C CG . TYR A 1 23 ? 5.893 3.948 -13.469 1.00 0.00 ? 23 TYR A CG 9 ATOM 5504 C CD1 . TYR A 1 23 ? 6.810 3.185 -14.181 1.00 0.00 ? 23 TYR A CD1 9 ATOM 5505 C CD2 . TYR A 1 23 ? 6.355 5.079 -12.807 1.00 0.00 ? 23 TYR A CD2 9 ATOM 5506 C CE1 . TYR A 1 23 ? 8.145 3.537 -14.232 1.00 0.00 ? 23 TYR A CE1 9 ATOM 5507 C CE2 . TYR A 1 23 ? 7.687 5.439 -12.853 1.00 0.00 ? 23 TYR A CE2 9 ATOM 5508 C CZ . TYR A 1 23 ? 8.579 4.665 -13.567 1.00 0.00 ? 23 TYR A CZ 9 ATOM 5509 O OH . TYR A 1 23 ? 9.907 5.020 -13.614 1.00 0.00 ? 23 TYR A OH 9 ATOM 5510 H H . TYR A 1 23 ? 4.659 5.249 -15.293 1.00 0.00 ? 23 TYR A H 9 ATOM 5511 H HA . TYR A 1 23 ? 4.171 2.473 -15.242 1.00 0.00 ? 23 TYR A HA 9 ATOM 5512 H HB2 . TYR A 1 23 ? 3.904 4.329 -12.878 1.00 0.00 ? 23 TYR A HB2 9 ATOM 5513 H HB3 . TYR A 1 23 ? 4.357 2.628 -12.871 1.00 0.00 ? 23 TYR A HB3 9 ATOM 5514 H HD1 . TYR A 1 23 ? 6.468 2.302 -14.701 1.00 0.00 ? 23 TYR A HD1 9 ATOM 5515 H HD2 . TYR A 1 23 ? 5.654 5.682 -12.249 1.00 0.00 ? 23 TYR A HD2 9 ATOM 5516 H HE1 . TYR A 1 23 ? 8.844 2.932 -14.791 1.00 0.00 ? 23 TYR A HE1 9 ATOM 5517 H HE2 . TYR A 1 23 ? 8.027 6.322 -12.332 1.00 0.00 ? 23 TYR A HE2 9 ATOM 5518 H HH . TYR A 1 23 ? 10.005 5.931 -13.328 1.00 0.00 ? 23 TYR A HH 9 ATOM 5519 N N . MET A 1 24 ? 1.592 4.394 -14.857 1.00 0.00 ? 24 MET A N 9 ATOM 5520 C CA . MET A 1 24 ? 0.138 4.425 -14.757 1.00 0.00 ? 24 MET A CA 9 ATOM 5521 C C . MET A 1 24 ? -0.499 3.530 -15.815 1.00 0.00 ? 24 MET A C 9 ATOM 5522 O O . MET A 1 24 ? -1.440 2.788 -15.530 1.00 0.00 ? 24 MET A O 9 ATOM 5523 C CB . MET A 1 24 ? -0.375 5.858 -14.910 1.00 0.00 ? 24 MET A CB 9 ATOM 5524 C CG . MET A 1 24 ? -0.100 6.734 -13.698 1.00 0.00 ? 24 MET A CG 9 ATOM 5525 S SD . MET A 1 24 ? 1.499 7.563 -13.789 1.00 0.00 ? 24 MET A SD 9 ATOM 5526 C CE . MET A 1 24 ? 2.489 6.505 -12.736 1.00 0.00 ? 24 MET A CE 9 ATOM 5527 H H . MET A 1 24 ? 2.074 5.218 -15.078 1.00 0.00 ? 24 MET A H 9 ATOM 5528 H HA . MET A 1 24 ? -0.135 4.057 -13.779 1.00 0.00 ? 24 MET A HA 9 ATOM 5529 H HB2 . MET A 1 24 ? 0.101 6.309 -15.768 1.00 0.00 ? 24 MET A HB2 9 ATOM 5530 H HB3 . MET A 1 24 ? -1.442 5.832 -15.072 1.00 0.00 ? 24 MET A HB3 9 ATOM 5531 H HG2 . MET A 1 24 ? -0.874 7.484 -13.629 1.00 0.00 ? 24 MET A HG2 9 ATOM 5532 H HG3 . MET A 1 24 ? -0.120 6.116 -12.813 1.00 0.00 ? 24 MET A HG3 9 ATOM 5533 H HE1 . MET A 1 24 ? 3.497 6.454 -13.122 1.00 0.00 ? 24 MET A HE1 9 ATOM 5534 H HE2 . MET A 1 24 ? 2.508 6.910 -11.735 1.00 0.00 ? 24 MET A HE2 9 ATOM 5535 H HE3 . MET A 1 24 ? 2.060 5.514 -12.716 1.00 0.00 ? 24 MET A HE3 9 ATOM 5536 N N . TYR A 1 25 ? 0.018 3.604 -17.036 1.00 0.00 ? 25 TYR A N 9 ATOM 5537 C CA . TYR A 1 25 ? -0.503 2.802 -18.137 1.00 0.00 ? 25 TYR A CA 9 ATOM 5538 C C . TYR A 1 25 ? -0.224 1.320 -17.910 1.00 0.00 ? 25 TYR A C 9 ATOM 5539 O O . TYR A 1 25 ? -0.737 0.463 -18.630 1.00 0.00 ? 25 TYR A O 9 ATOM 5540 C CB . TYR A 1 25 ? 0.117 3.252 -19.461 1.00 0.00 ? 25 TYR A CB 9 ATOM 5541 C CG . TYR A 1 25 ? -0.513 4.503 -20.031 1.00 0.00 ? 25 TYR A CG 9 ATOM 5542 C CD1 . TYR A 1 25 ? -0.580 5.673 -19.284 1.00 0.00 ? 25 TYR A CD1 9 ATOM 5543 C CD2 . TYR A 1 25 ? -1.043 4.515 -21.315 1.00 0.00 ? 25 TYR A CD2 9 ATOM 5544 C CE1 . TYR A 1 25 ? -1.156 6.818 -19.800 1.00 0.00 ? 25 TYR A CE1 9 ATOM 5545 C CE2 . TYR A 1 25 ? -1.619 5.655 -21.840 1.00 0.00 ? 25 TYR A CE2 9 ATOM 5546 C CZ . TYR A 1 25 ? -1.673 6.804 -21.079 1.00 0.00 ? 25 TYR A CZ 9 ATOM 5547 O OH . TYR A 1 25 ? -2.248 7.942 -21.597 1.00 0.00 ? 25 TYR A OH 9 ATOM 5548 H H . TYR A 1 25 ? 0.766 4.214 -17.202 1.00 0.00 ? 25 TYR A H 9 ATOM 5549 H HA . TYR A 1 25 ? -1.571 2.954 -18.182 1.00 0.00 ? 25 TYR A HA 9 ATOM 5550 H HB2 . TYR A 1 25 ? 1.167 3.450 -19.310 1.00 0.00 ? 25 TYR A HB2 9 ATOM 5551 H HB3 . TYR A 1 25 ? 0.006 2.463 -20.190 1.00 0.00 ? 25 TYR A HB3 9 ATOM 5552 H HD1 . TYR A 1 25 ? -0.174 5.680 -18.283 1.00 0.00 ? 25 TYR A HD1 9 ATOM 5553 H HD2 . TYR A 1 25 ? -0.999 3.613 -21.909 1.00 0.00 ? 25 TYR A HD2 9 ATOM 5554 H HE1 . TYR A 1 25 ? -1.198 7.718 -19.204 1.00 0.00 ? 25 TYR A HE1 9 ATOM 5555 H HE2 . TYR A 1 25 ? -2.025 5.645 -22.841 1.00 0.00 ? 25 TYR A HE2 9 ATOM 5556 H HH . TYR A 1 25 ? -3.013 8.183 -21.070 1.00 0.00 ? 25 TYR A HH 9 ATOM 5557 N N . SER A 1 26 ? 0.592 1.025 -16.903 1.00 0.00 ? 26 SER A N 9 ATOM 5558 C CA . SER A 1 26 ? 0.942 -0.354 -16.582 1.00 0.00 ? 26 SER A CA 9 ATOM 5559 C C . SER A 1 26 ? -0.099 -0.977 -15.657 1.00 0.00 ? 26 SER A C 9 ATOM 5560 O O . SER A 1 26 ? 0.207 -1.879 -14.877 1.00 0.00 ? 26 SER A O 9 ATOM 5561 C CB . SER A 1 26 ? 2.323 -0.412 -15.926 1.00 0.00 ? 26 SER A CB 9 ATOM 5562 O OG . SER A 1 26 ? 2.835 -1.733 -15.931 1.00 0.00 ? 26 SER A OG 9 ATOM 5563 H H . SER A 1 26 ? 0.969 1.752 -16.365 1.00 0.00 ? 26 SER A H 9 ATOM 5564 H HA . SER A 1 26 ? 0.967 -0.913 -17.505 1.00 0.00 ? 26 SER A HA 9 ATOM 5565 H HB2 . SER A 1 26 ? 3.003 0.227 -16.469 1.00 0.00 ? 26 SER A HB2 9 ATOM 5566 H HB3 . SER A 1 26 ? 2.248 -0.071 -14.904 1.00 0.00 ? 26 SER A HB3 9 ATOM 5567 H HG . SER A 1 26 ? 2.867 -2.068 -15.032 1.00 0.00 ? 26 SER A HG 9 ATOM 5568 N N . HIS A 1 27 ? -1.332 -0.489 -15.750 1.00 0.00 ? 27 HIS A N 9 ATOM 5569 C CA . HIS A 1 27 ? -2.420 -0.998 -14.922 1.00 0.00 ? 27 HIS A CA 9 ATOM 5570 C C . HIS A 1 27 ? -2.065 -0.906 -13.441 1.00 0.00 ? 27 HIS A C 9 ATOM 5571 O O . HIS A 1 27 ? -2.173 -1.886 -12.704 1.00 0.00 ? 27 HIS A O 9 ATOM 5572 C CB . HIS A 1 27 ? -2.737 -2.447 -15.293 1.00 0.00 ? 27 HIS A CB 9 ATOM 5573 C CG . HIS A 1 27 ? -4.162 -2.832 -15.041 1.00 0.00 ? 27 HIS A CG 9 ATOM 5574 N ND1 . HIS A 1 27 ? -4.529 -3.814 -14.145 1.00 0.00 ? 27 HIS A ND1 9 ATOM 5575 C CD2 . HIS A 1 27 ? -5.314 -2.360 -15.571 1.00 0.00 ? 27 HIS A CD2 9 ATOM 5576 C CE1 . HIS A 1 27 ? -5.844 -3.931 -14.137 1.00 0.00 ? 27 HIS A CE1 9 ATOM 5577 N NE2 . HIS A 1 27 ? -6.345 -3.059 -14.993 1.00 0.00 ? 27 HIS A NE2 9 ATOM 5578 H H . HIS A 1 27 ? -1.514 0.230 -16.390 1.00 0.00 ? 27 HIS A H 9 ATOM 5579 H HA . HIS A 1 27 ? -3.291 -0.389 -15.109 1.00 0.00 ? 27 HIS A HA 9 ATOM 5580 H HB2 . HIS A 1 27 ? -2.535 -2.594 -16.344 1.00 0.00 ? 27 HIS A HB2 9 ATOM 5581 H HB3 . HIS A 1 27 ? -2.106 -3.106 -14.715 1.00 0.00 ? 27 HIS A HB3 9 ATOM 5582 H HD1 . HIS A 1 27 ? -3.915 -4.348 -13.598 1.00 0.00 ? 27 HIS A HD1 9 ATOM 5583 H HD2 . HIS A 1 27 ? -5.406 -1.578 -16.312 1.00 0.00 ? 27 HIS A HD2 9 ATOM 5584 H HE1 . HIS A 1 27 ? -6.415 -4.620 -13.533 1.00 0.00 ? 27 HIS A HE1 9 ATOM 5585 N N . CYS A 1 28 ? -1.640 0.278 -13.012 1.00 0.00 ? 28 CYS A N 9 ATOM 5586 C CA . CYS A 1 28 ? -1.267 0.498 -11.620 1.00 0.00 ? 28 CYS A CA 9 ATOM 5587 C C . CYS A 1 28 ? -2.192 1.520 -10.965 1.00 0.00 ? 28 CYS A C 9 ATOM 5588 O O . CYS A 1 28 ? -2.252 1.623 -9.739 1.00 0.00 ? 28 CYS A O 9 ATOM 5589 C CB . CYS A 1 28 ? 0.184 0.974 -11.528 1.00 0.00 ? 28 CYS A CB 9 ATOM 5590 S SG . CYS A 1 28 ? 1.084 0.340 -10.076 1.00 0.00 ? 28 CYS A SG 9 ATOM 5591 H H . CYS A 1 28 ? -1.575 1.022 -13.648 1.00 0.00 ? 28 CYS A H 9 ATOM 5592 H HA . CYS A 1 28 ? -1.363 -0.442 -11.098 1.00 0.00 ? 28 CYS A HA 9 ATOM 5593 H HB2 . CYS A 1 28 ? 0.717 0.652 -12.410 1.00 0.00 ? 28 CYS A HB2 9 ATOM 5594 H HB3 . CYS A 1 28 ? 0.198 2.053 -11.478 1.00 0.00 ? 28 CYS A HB3 9 ATOM 5595 N N . PHE A 1 29 ? -2.912 2.274 -11.790 1.00 0.00 ? 29 PHE A N 9 ATOM 5596 C CA . PHE A 1 29 ? -3.833 3.288 -11.292 1.00 0.00 ? 29 PHE A CA 9 ATOM 5597 C C . PHE A 1 29 ? -5.266 2.974 -11.710 1.00 0.00 ? 29 PHE A C 9 ATOM 5598 O O . PHE A 1 29 ? -6.221 3.410 -11.069 1.00 0.00 ? 29 PHE A O 9 ATOM 5599 C CB . PHE A 1 29 ? -3.430 4.671 -11.808 1.00 0.00 ? 29 PHE A CB 9 ATOM 5600 C CG . PHE A 1 29 ? -2.269 5.272 -11.070 1.00 0.00 ? 29 PHE A CG 9 ATOM 5601 C CD1 . PHE A 1 29 ? -1.061 4.598 -10.985 1.00 0.00 ? 29 PHE A CD1 9 ATOM 5602 C CD2 . PHE A 1 29 ? -2.384 6.511 -10.462 1.00 0.00 ? 29 PHE A CD2 9 ATOM 5603 C CE1 . PHE A 1 29 ? 0.009 5.148 -10.306 1.00 0.00 ? 29 PHE A CE1 9 ATOM 5604 C CE2 . PHE A 1 29 ? -1.317 7.067 -9.781 1.00 0.00 ? 29 PHE A CE2 9 ATOM 5605 C CZ . PHE A 1 29 ? -0.119 6.385 -9.704 1.00 0.00 ? 29 PHE A CZ 9 ATOM 5606 H H . PHE A 1 29 ? -2.820 2.144 -12.757 1.00 0.00 ? 29 PHE A H 9 ATOM 5607 H HA . PHE A 1 29 ? -3.776 3.285 -10.214 1.00 0.00 ? 29 PHE A HA 9 ATOM 5608 H HB2 . PHE A 1 29 ? -3.156 4.592 -12.850 1.00 0.00 ? 29 PHE A HB2 9 ATOM 5609 H HB3 . PHE A 1 29 ? -4.270 5.342 -11.711 1.00 0.00 ? 29 PHE A HB3 9 ATOM 5610 H HD1 . PHE A 1 29 ? -0.959 3.631 -11.456 1.00 0.00 ? 29 PHE A HD1 9 ATOM 5611 H HD2 . PHE A 1 29 ? -3.322 7.046 -10.522 1.00 0.00 ? 29 PHE A HD2 9 ATOM 5612 H HE1 . PHE A 1 29 ? 0.945 4.613 -10.247 1.00 0.00 ? 29 PHE A HE1 9 ATOM 5613 H HE2 . PHE A 1 29 ? -1.421 8.034 -9.312 1.00 0.00 ? 29 PHE A HE2 9 ATOM 5614 H HZ . PHE A 1 29 ? 0.716 6.817 -9.172 1.00 0.00 ? 29 PHE A HZ 9 ATOM 5615 N N . GLY A 1 30 ? -5.407 2.213 -12.792 1.00 0.00 ? 30 GLY A N 9 ATOM 5616 C CA . GLY A 1 30 ? -6.726 1.853 -13.279 1.00 0.00 ? 30 GLY A CA 9 ATOM 5617 C C . GLY A 1 30 ? -7.331 2.926 -14.162 1.00 0.00 ? 30 GLY A C 9 ATOM 5618 O O . GLY A 1 30 ? -8.552 3.054 -14.249 1.00 0.00 ? 30 GLY A O 9 ATOM 5619 H H . GLY A 1 30 ? -4.609 1.894 -13.263 1.00 0.00 ? 30 GLY A H 9 ATOM 5620 H HA2 . GLY A 1 30 ? -6.652 0.936 -13.843 1.00 0.00 ? 30 GLY A HA2 9 ATOM 5621 H HA3 . GLY A 1 30 ? -7.378 1.691 -12.432 1.00 0.00 ? 30 GLY A HA3 9 ATOM 5622 N N . VAL A 1 31 ? -6.474 3.701 -14.820 1.00 0.00 ? 31 VAL A N 9 ATOM 5623 C CA . VAL A 1 31 ? -6.930 4.770 -15.701 1.00 0.00 ? 31 VAL A CA 9 ATOM 5624 C C . VAL A 1 31 ? -6.848 4.348 -17.163 1.00 0.00 ? 31 VAL A C 9 ATOM 5625 O O . VAL A 1 31 ? -7.674 4.750 -17.984 1.00 0.00 ? 31 VAL A O 9 ATOM 5626 C CB . VAL A 1 31 ? -6.103 6.054 -15.501 1.00 0.00 ? 31 VAL A CB 9 ATOM 5627 C CG1 . VAL A 1 31 ? -6.242 6.562 -14.074 1.00 0.00 ? 31 VAL A CG1 9 ATOM 5628 C CG2 . VAL A 1 31 ? -4.643 5.806 -15.848 1.00 0.00 ? 31 VAL A CG2 9 ATOM 5629 H H . VAL A 1 31 ? -5.512 3.551 -14.710 1.00 0.00 ? 31 VAL A H 9 ATOM 5630 H HA . VAL A 1 31 ? -7.960 4.988 -15.456 1.00 0.00 ? 31 VAL A HA 9 ATOM 5631 H HB . VAL A 1 31 ? -6.486 6.812 -16.168 1.00 0.00 ? 31 VAL A HB 9 ATOM 5632 H HG11 . VAL A 1 31 ? -5.823 7.554 -14.003 1.00 0.00 ? 31 VAL A HG11 9 ATOM 5633 H HG12 . VAL A 1 31 ? -7.287 6.591 -13.802 1.00 0.00 ? 31 VAL A HG12 9 ATOM 5634 H HG13 . VAL A 1 31 ? -5.714 5.900 -13.403 1.00 0.00 ? 31 VAL A HG13 9 ATOM 5635 H HG21 . VAL A 1 31 ? -4.441 6.177 -16.841 1.00 0.00 ? 31 VAL A HG21 9 ATOM 5636 H HG22 . VAL A 1 31 ? -4.013 6.318 -15.136 1.00 0.00 ? 31 VAL A HG22 9 ATOM 5637 H HG23 . VAL A 1 31 ? -4.439 4.746 -15.811 1.00 0.00 ? 31 VAL A HG23 9 ATOM 5638 N N . LYS A 1 32 ? -5.847 3.536 -17.484 1.00 0.00 ? 32 LYS A N 9 ATOM 5639 C CA . LYS A 1 32 ? -5.657 3.057 -18.848 1.00 0.00 ? 32 LYS A CA 9 ATOM 5640 C C . LYS A 1 32 ? -6.818 2.167 -19.280 1.00 0.00 ? 32 LYS A C 9 ATOM 5641 O O . LYS A 1 32 ? -7.453 1.513 -18.452 1.00 0.00 ? 32 LYS A O 9 ATOM 5642 C CB . LYS A 1 32 ? -4.340 2.285 -18.960 1.00 0.00 ? 32 LYS A CB 9 ATOM 5643 C CG . LYS A 1 32 ? -3.814 2.181 -20.381 1.00 0.00 ? 32 LYS A CG 9 ATOM 5644 C CD . LYS A 1 32 ? -4.131 0.829 -20.996 1.00 0.00 ? 32 LYS A CD 9 ATOM 5645 C CE . LYS A 1 32 ? -3.359 -0.289 -20.313 1.00 0.00 ? 32 LYS A CE 9 ATOM 5646 N NZ . LYS A 1 32 ? -2.343 -0.895 -21.217 1.00 0.00 ? 32 LYS A NZ 9 ATOM 5647 H H . LYS A 1 32 ? -5.221 3.250 -16.785 1.00 0.00 ? 32 LYS A H 9 ATOM 5648 H HA . LYS A 1 32 ? -5.616 3.917 -19.499 1.00 0.00 ? 32 LYS A HA 9 ATOM 5649 H HB2 . LYS A 1 32 ? -3.593 2.780 -18.357 1.00 0.00 ? 32 LYS A HB2 9 ATOM 5650 H HB3 . LYS A 1 32 ? -4.490 1.284 -18.581 1.00 0.00 ? 32 LYS A HB3 9 ATOM 5651 H HG2 . LYS A 1 32 ? -4.272 2.954 -20.982 1.00 0.00 ? 32 LYS A HG2 9 ATOM 5652 H HG3 . LYS A 1 32 ? -2.742 2.319 -20.370 1.00 0.00 ? 32 LYS A HG3 9 ATOM 5653 H HD2 . LYS A 1 32 ? -5.189 0.635 -20.894 1.00 0.00 ? 32 LYS A HD2 9 ATOM 5654 H HD3 . LYS A 1 32 ? -3.867 0.849 -22.044 1.00 0.00 ? 32 LYS A HD3 9 ATOM 5655 H HE2 . LYS A 1 32 ? -2.861 0.114 -19.445 1.00 0.00 ? 32 LYS A HE2 9 ATOM 5656 H HE3 . LYS A 1 32 ? -4.056 -1.055 -20.005 1.00 0.00 ? 32 LYS A HE3 9 ATOM 5657 H HZ1 . LYS A 1 32 ? -1.495 -0.293 -21.257 1.00 0.00 ? 32 LYS A HZ1 9 ATOM 5658 H HZ2 . LYS A 1 32 ? -2.731 -0.991 -22.177 1.00 0.00 ? 32 LYS A HZ2 9 ATOM 5659 H HZ3 . LYS A 1 32 ? -2.070 -1.836 -20.870 1.00 0.00 ? 32 LYS A HZ3 9 ATOM 5660 N N . HIS A 1 33 ? -7.091 2.147 -20.581 1.00 0.00 ? 33 HIS A N 9 ATOM 5661 C CA . HIS A 1 33 ? -8.175 1.336 -21.122 1.00 0.00 ? 33 HIS A CA 9 ATOM 5662 C C . HIS A 1 33 ? -7.629 0.220 -22.008 1.00 0.00 ? 33 HIS A C 9 ATOM 5663 O O . HIS A 1 33 ? -6.730 0.443 -22.820 1.00 0.00 ? 33 HIS A O 9 ATOM 5664 C CB . HIS A 1 33 ? -9.144 2.209 -21.921 1.00 0.00 ? 33 HIS A CB 9 ATOM 5665 C CG . HIS A 1 33 ? -10.298 2.717 -21.112 1.00 0.00 ? 33 HIS A CG 9 ATOM 5666 N ND1 . HIS A 1 33 ? -11.391 1.941 -20.791 1.00 0.00 ? 33 HIS A ND1 9 ATOM 5667 C CD2 . HIS A 1 33 ? -10.524 3.931 -20.557 1.00 0.00 ? 33 HIS A CD2 9 ATOM 5668 C CE1 . HIS A 1 33 ? -12.241 2.655 -20.075 1.00 0.00 ? 33 HIS A CE1 9 ATOM 5669 N NE2 . HIS A 1 33 ? -11.738 3.867 -19.919 1.00 0.00 ? 33 HIS A NE2 9 ATOM 5670 H H . HIS A 1 33 ? -6.549 2.690 -21.191 1.00 0.00 ? 33 HIS A H 9 ATOM 5671 H HA . HIS A 1 33 ? -8.704 0.893 -20.292 1.00 0.00 ? 33 HIS A HA 9 ATOM 5672 H HB2 . HIS A 1 33 ? -8.610 3.064 -22.310 1.00 0.00 ? 33 HIS A HB2 9 ATOM 5673 H HB3 . HIS A 1 33 ? -9.542 1.634 -22.744 1.00 0.00 ? 33 HIS A HB3 9 ATOM 5674 H HD1 . HIS A 1 33 ? -11.525 1.006 -21.051 1.00 0.00 ? 33 HIS A HD1 9 ATOM 5675 H HD2 . HIS A 1 33 ? -9.871 4.791 -20.607 1.00 0.00 ? 33 HIS A HD2 9 ATOM 5676 H HE1 . HIS A 1 33 ? -13.186 2.309 -19.684 1.00 0.00 ? 33 HIS A HE1 9 ATOM 5677 N N . SER A 1 34 ? -8.176 -0.980 -21.845 1.00 0.00 ? 34 SER A N 9 ATOM 5678 C CA . SER A 1 34 ? -7.741 -2.131 -22.627 1.00 0.00 ? 34 SER A CA 9 ATOM 5679 C C . SER A 1 34 ? -7.782 -1.821 -24.120 1.00 0.00 ? 34 SER A C 9 ATOM 5680 O O . SER A 1 34 ? -8.666 -1.107 -24.593 1.00 0.00 ? 34 SER A O 9 ATOM 5681 C CB . SER A 1 34 ? -8.622 -3.344 -22.322 1.00 0.00 ? 34 SER A CB 9 ATOM 5682 O OG . SER A 1 34 ? -7.892 -4.551 -22.457 1.00 0.00 ? 34 SER A OG 9 ATOM 5683 H H . SER A 1 34 ? -8.889 -1.094 -21.182 1.00 0.00 ? 34 SER A H 9 ATOM 5684 H HA . SER A 1 34 ? -6.723 -2.357 -22.346 1.00 0.00 ? 34 SER A HA 9 ATOM 5685 H HB2 . SER A 1 34 ? -8.992 -3.272 -21.311 1.00 0.00 ? 34 SER A HB2 9 ATOM 5686 H HB3 . SER A 1 34 ? -9.455 -3.362 -23.010 1.00 0.00 ? 34 SER A HB3 9 ATOM 5687 H HG . SER A 1 34 ? -8.206 -5.189 -21.812 1.00 0.00 ? 34 SER A HG 9 ATOM 5688 N N . SER A 1 35 ? -6.818 -2.363 -24.857 1.00 0.00 ? 35 SER A N 9 ATOM 5689 C CA . SER A 1 35 ? -6.740 -2.142 -26.297 1.00 0.00 ? 35 SER A CA 9 ATOM 5690 C C . SER A 1 35 ? -8.063 -2.493 -26.972 1.00 0.00 ? 35 SER A C 9 ATOM 5691 O O . SER A 1 35 ? -8.943 -3.097 -26.362 1.00 0.00 ? 35 SER A O 9 ATOM 5692 C CB . SER A 1 35 ? -5.609 -2.976 -26.902 1.00 0.00 ? 35 SER A CB 9 ATOM 5693 O OG . SER A 1 35 ? -5.859 -4.362 -26.749 1.00 0.00 ? 35 SER A OG 9 ATOM 5694 H H . SER A 1 35 ? -6.141 -2.924 -24.422 1.00 0.00 ? 35 SER A H 9 ATOM 5695 H HA . SER A 1 35 ? -6.532 -1.095 -26.461 1.00 0.00 ? 35 SER A HA 9 ATOM 5696 H HB2 . SER A 1 35 ? -5.523 -2.752 -27.954 1.00 0.00 ? 35 SER A HB2 9 ATOM 5697 H HB3 . SER A 1 35 ? -4.681 -2.732 -26.405 1.00 0.00 ? 35 SER A HB3 9 ATOM 5698 H HG . SER A 1 35 ? -5.030 -4.844 -26.795 1.00 0.00 ? 35 SER A HG 9 ATOM 5699 N N . GLY A 1 36 ? -8.193 -2.108 -28.238 1.00 0.00 ? 36 GLY A N 9 ATOM 5700 C CA . GLY A 1 36 ? -9.410 -2.389 -28.977 1.00 0.00 ? 36 GLY A CA 9 ATOM 5701 C C . GLY A 1 36 ? -10.262 -1.152 -29.184 1.00 0.00 ? 36 GLY A C 9 ATOM 5702 O O . GLY A 1 36 ? -11.104 -0.823 -28.350 1.00 0.00 ? 36 GLY A O 9 ATOM 5703 H H . GLY A 1 36 ? -7.457 -1.629 -28.674 1.00 0.00 ? 36 GLY A H 9 ATOM 5704 H HA2 . GLY A 1 36 ? -9.147 -2.798 -29.941 1.00 0.00 ? 36 GLY A HA2 9 ATOM 5705 H HA3 . GLY A 1 36 ? -9.987 -3.122 -28.432 1.00 0.00 ? 36 GLY A HA3 9 ATOM 5706 N N . GLY A 1 37 ? -10.041 -0.464 -30.300 1.00 0.00 ? 37 GLY A N 9 ATOM 5707 C CA . GLY A 1 37 ? -10.802 0.737 -30.593 1.00 0.00 ? 37 GLY A CA 9 ATOM 5708 C C . GLY A 1 37 ? -11.045 0.921 -32.078 1.00 0.00 ? 37 GLY A C 9 ATOM 5709 O O . GLY A 1 37 ? -10.142 0.730 -32.891 1.00 0.00 ? 37 GLY A O 9 ATOM 5710 H H . GLY A 1 37 ? -9.357 -0.774 -30.930 1.00 0.00 ? 37 GLY A H 9 ATOM 5711 H HA2 . GLY A 1 37 ? -11.754 0.680 -30.087 1.00 0.00 ? 37 GLY A HA2 9 ATOM 5712 H HA3 . GLY A 1 37 ? -10.258 1.593 -30.221 1.00 0.00 ? 37 GLY A HA3 9 ATOM 5713 N N . GLY A 1 38 ? -12.272 1.292 -32.434 1.00 0.00 ? 38 GLY A N 9 ATOM 5714 C CA . GLY A 1 38 ? -12.610 1.494 -33.830 1.00 0.00 ? 38 GLY A CA 9 ATOM 5715 C C . GLY A 1 38 ? -12.777 2.959 -34.181 1.00 0.00 ? 38 GLY A C 9 ATOM 5716 O O . GLY A 1 38 ? -13.619 3.316 -35.004 1.00 0.00 ? 38 GLY A O 9 ATOM 5717 H H . GLY A 1 38 ? -12.952 1.430 -31.742 1.00 0.00 ? 38 GLY A H 9 ATOM 5718 H HA2 . GLY A 1 38 ? -11.827 1.075 -34.443 1.00 0.00 ? 38 GLY A HA2 9 ATOM 5719 H HA3 . GLY A 1 38 ? -13.535 0.977 -34.043 1.00 0.00 ? 38 GLY A HA3 9 ATOM 5720 N N . GLY A 1 39 ? -11.973 3.812 -33.552 1.00 0.00 ? 39 GLY A N 9 ATOM 5721 C CA . GLY A 1 39 ? -12.053 5.237 -33.814 1.00 0.00 ? 39 GLY A CA 9 ATOM 5722 C C . GLY A 1 39 ? -11.097 5.681 -34.903 1.00 0.00 ? 39 GLY A C 9 ATOM 5723 O O . GLY A 1 39 ? -10.335 4.874 -35.436 1.00 0.00 ? 39 GLY A O 9 ATOM 5724 H H . GLY A 1 39 ? -11.321 3.470 -32.905 1.00 0.00 ? 39 GLY A H 9 ATOM 5725 H HA2 . GLY A 1 39 ? -13.062 5.481 -34.114 1.00 0.00 ? 39 GLY A HA2 9 ATOM 5726 H HA3 . GLY A 1 39 ? -11.819 5.772 -32.906 1.00 0.00 ? 39 GLY A HA3 9 ATOM 5727 N N . SER A 1 40 ? -11.137 6.967 -35.236 1.00 0.00 ? 40 SER A N 9 ATOM 5728 C CA . SER A 1 40 ? -10.271 7.516 -36.272 1.00 0.00 ? 40 SER A CA 9 ATOM 5729 C C . SER A 1 40 ? -9.080 8.243 -35.656 1.00 0.00 ? 40 SER A C 9 ATOM 5730 O O . SER A 1 40 ? -9.174 8.795 -34.560 1.00 0.00 ? 40 SER A O 9 ATOM 5731 C CB . SER A 1 40 ? -11.058 8.472 -37.171 1.00 0.00 ? 40 SER A CB 9 ATOM 5732 O OG . SER A 1 40 ? -10.452 8.587 -38.447 1.00 0.00 ? 40 SER A OG 9 ATOM 5733 H H . SER A 1 40 ? -11.766 7.560 -34.774 1.00 0.00 ? 40 SER A H 9 ATOM 5734 H HA . SER A 1 40 ? -9.905 6.693 -36.869 1.00 0.00 ? 40 SER A HA 9 ATOM 5735 H HB2 . SER A 1 40 ? -12.063 8.099 -37.295 1.00 0.00 ? 40 SER A HB2 9 ATOM 5736 H HB3 . SER A 1 40 ? -11.090 9.449 -36.711 1.00 0.00 ? 40 SER A HB3 9 ATOM 5737 H HG . SER A 1 40 ? -10.408 9.513 -38.698 1.00 0.00 ? 40 SER A HG 9 ATOM 5738 N N . TYR A 1 41 ? -7.959 8.240 -36.369 1.00 0.00 ? 41 TYR A N 9 ATOM 5739 C CA . TYR A 1 41 ? -6.748 8.897 -35.893 1.00 0.00 ? 41 TYR A CA 9 ATOM 5740 C C . TYR A 1 41 ? -6.550 10.243 -36.585 1.00 0.00 ? 41 TYR A C 9 ATOM 5741 O O . TYR A 1 41 ? -7.116 10.497 -37.648 1.00 0.00 ? 41 TYR A O 9 ATOM 5742 C CB . TYR A 1 41 ? -5.530 8.004 -36.132 1.00 0.00 ? 41 TYR A CB 9 ATOM 5743 C CG . TYR A 1 41 ? -4.416 8.217 -35.132 1.00 0.00 ? 41 TYR A CG 9 ATOM 5744 C CD1 . TYR A 1 41 ? -3.416 9.153 -35.366 1.00 0.00 ? 41 TYR A CD1 9 ATOM 5745 C CD2 . TYR A 1 41 ? -4.363 7.482 -33.955 1.00 0.00 ? 41 TYR A CD2 9 ATOM 5746 C CE1 . TYR A 1 41 ? -2.396 9.351 -34.455 1.00 0.00 ? 41 TYR A CE1 9 ATOM 5747 C CE2 . TYR A 1 41 ? -3.348 7.674 -33.038 1.00 0.00 ? 41 TYR A CE2 9 ATOM 5748 C CZ . TYR A 1 41 ? -2.367 8.610 -33.292 1.00 0.00 ? 41 TYR A CZ 9 ATOM 5749 O OH . TYR A 1 41 ? -1.353 8.803 -32.382 1.00 0.00 ? 41 TYR A OH 9 ATOM 5750 H H . TYR A 1 41 ? -7.945 7.783 -37.236 1.00 0.00 ? 41 TYR A H 9 ATOM 5751 H HA . TYR A 1 41 ? -6.856 9.064 -34.831 1.00 0.00 ? 41 TYR A HA 9 ATOM 5752 H HB2 . TYR A 1 41 ? -5.833 6.970 -36.075 1.00 0.00 ? 41 TYR A HB2 9 ATOM 5753 H HB3 . TYR A 1 41 ? -5.134 8.203 -37.118 1.00 0.00 ? 41 TYR A HB3 9 ATOM 5754 H HD1 . TYR A 1 41 ? -3.442 9.733 -36.277 1.00 0.00 ? 41 TYR A HD1 9 ATOM 5755 H HD2 . TYR A 1 41 ? -5.133 6.750 -33.758 1.00 0.00 ? 41 TYR A HD2 9 ATOM 5756 H HE1 . TYR A 1 41 ? -1.628 10.084 -34.654 1.00 0.00 ? 41 TYR A HE1 9 ATOM 5757 H HE2 . TYR A 1 41 ? -3.324 7.093 -32.127 1.00 0.00 ? 41 TYR A HE2 9 ATOM 5758 H HH . TYR A 1 41 ? -1.617 8.450 -31.529 1.00 0.00 ? 41 TYR A HH 9 ATOM 5759 N N . HIS A 1 42 ? -5.740 11.102 -35.973 1.00 0.00 ? 42 HIS A N 9 ATOM 5760 C CA . HIS A 1 42 ? -5.465 12.421 -36.529 1.00 0.00 ? 42 HIS A CA 9 ATOM 5761 C C . HIS A 1 42 ? -4.185 12.405 -37.359 1.00 0.00 ? 42 HIS A C 9 ATOM 5762 O O . HIS A 1 42 ? -3.398 13.351 -37.324 1.00 0.00 ? 42 HIS A O 9 ATOM 5763 C CB . HIS A 1 42 ? -5.348 13.456 -35.410 1.00 0.00 ? 42 HIS A CB 9 ATOM 5764 C CG . HIS A 1 42 ? -6.666 13.846 -34.815 1.00 0.00 ? 42 HIS A CG 9 ATOM 5765 N ND1 . HIS A 1 42 ? -6.925 13.795 -33.461 1.00 0.00 ? 42 HIS A ND1 9 ATOM 5766 C CD2 . HIS A 1 42 ? -7.801 14.298 -35.397 1.00 0.00 ? 42 HIS A CD2 9 ATOM 5767 C CE1 . HIS A 1 42 ? -8.164 14.197 -33.237 1.00 0.00 ? 42 HIS A CE1 9 ATOM 5768 N NE2 . HIS A 1 42 ? -8.717 14.508 -34.395 1.00 0.00 ? 42 HIS A NE2 9 ATOM 5769 H H . HIS A 1 42 ? -5.318 10.841 -35.128 1.00 0.00 ? 42 HIS A H 9 ATOM 5770 H HA . HIS A 1 42 ? -6.291 12.690 -37.170 1.00 0.00 ? 42 HIS A HA 9 ATOM 5771 H HB2 . HIS A 1 42 ? -4.734 13.052 -34.618 1.00 0.00 ? 42 HIS A HB2 9 ATOM 5772 H HB3 . HIS A 1 42 ? -4.882 14.349 -35.800 1.00 0.00 ? 42 HIS A HB3 9 ATOM 5773 H HD1 . HIS A 1 42 ? -6.296 13.506 -32.768 1.00 0.00 ? 42 HIS A HD1 9 ATOM 5774 H HD2 . HIS A 1 42 ? -7.959 14.463 -36.454 1.00 0.00 ? 42 HIS A HD2 9 ATOM 5775 H HE1 . HIS A 1 42 ? -8.643 14.261 -32.272 1.00 0.00 ? 42 HIS A HE1 9 ATOM 5776 N N . CYS A 1 43 ? -3.982 11.324 -38.104 1.00 0.00 ? 43 CYS A N 9 ATOM 5777 C CA . CYS A 1 43 ? -2.797 11.183 -38.942 1.00 0.00 ? 43 CYS A CA 9 ATOM 5778 C C . CYS A 1 43 ? -2.626 12.397 -39.851 1.00 0.00 ? 43 CYS A C 9 ATOM 5779 O O . CYS A 1 43 ? -1.509 12.891 -39.992 1.00 0.00 ? 43 CYS A O 9 ATOM 5780 C CB . CYS A 1 43 ? -2.892 9.910 -39.785 1.00 0.00 ? 43 CYS A CB 9 ATOM 5781 S SG . CYS A 1 43 ? -2.738 8.369 -38.826 1.00 0.00 ? 43 CYS A SG 9 ATOM 5782 H H . CYS A 1 43 ? -4.646 10.602 -38.091 1.00 0.00 ? 43 CYS A H 9 ATOM 5783 H HA . CYS A 1 43 ? -1.938 11.111 -38.293 1.00 0.00 ? 43 CYS A HA 9 ATOM 5784 H HB2 . CYS A 1 43 ? -3.849 9.890 -40.286 1.00 0.00 ? 43 CYS A HB2 9 ATOM 5785 H HB3 . CYS A 1 43 ? -2.105 9.918 -40.525 1.00 0.00 ? 43 CYS A HB3 9 HETATM 5786 C C1 . NAG B 2 . ? 6.260 19.081 -20.573 1.00 0.00 ? 101 NAG A C1 9 HETATM 5787 C C2 . NAG B 2 . ? 6.746 20.040 -19.486 1.00 0.00 ? 101 NAG A C2 9 HETATM 5788 C C3 . NAG B 2 . ? 7.244 21.332 -20.142 1.00 0.00 ? 101 NAG A C3 9 HETATM 5789 C C4 . NAG B 2 . ? 8.284 20.971 -21.209 1.00 0.00 ? 101 NAG A C4 9 HETATM 5790 C C5 . NAG B 2 . ? 7.681 19.941 -22.166 1.00 0.00 ? 101 NAG A C5 9 HETATM 5791 C C6 . NAG B 2 . ? 8.703 19.599 -23.253 1.00 0.00 ? 101 NAG A C6 9 HETATM 5792 C C7 . NAG B 2 . ? 5.434 19.584 -17.484 1.00 0.00 ? 101 NAG A C7 9 HETATM 5793 C C8 . NAG B 2 . ? 4.299 19.901 -16.546 1.00 0.00 ? 101 NAG A C8 9 HETATM 5794 N N2 . NAG B 2 . ? 5.643 20.348 -18.574 1.00 0.00 ? 101 NAG A N2 9 HETATM 5795 O O3 . NAG B 2 . ? 7.841 22.179 -19.160 1.00 0.00 ? 101 NAG A O3 9 HETATM 5796 O O4 . NAG B 2 . ? 8.652 22.142 -21.938 1.00 0.00 ? 101 NAG A O4 9 HETATM 5797 O O5 . NAG B 2 . ? 7.338 18.757 -21.449 1.00 0.00 ? 101 NAG A O5 9 HETATM 5798 O O6 . NAG B 2 . ? 8.141 18.642 -24.152 1.00 0.00 ? 101 NAG A O6 9 HETATM 5799 O O7 . NAG B 2 . ? 6.162 18.641 -17.258 1.00 0.00 ? 101 NAG A O7 9 HETATM 5800 H H1 . NAG B 2 . ? 5.457 19.562 -21.150 1.00 0.00 ? 101 NAG A H1 9 HETATM 5801 H H2 . NAG B 2 . ? 7.565 19.572 -18.919 1.00 0.00 ? 101 NAG A H2 9 HETATM 5802 H H3 . NAG B 2 . ? 6.398 21.864 -20.603 1.00 0.00 ? 101 NAG A H3 9 HETATM 5803 H H4 . NAG B 2 . ? 9.178 20.551 -20.725 1.00 0.00 ? 101 NAG A H4 9 HETATM 5804 H H5 . NAG B 2 . ? 6.776 20.360 -22.629 1.00 0.00 ? 101 NAG A H5 9 HETATM 5805 H H61 . NAG B 2 . ? 8.990 20.509 -23.801 1.00 0.00 ? 101 NAG A H61 9 HETATM 5806 H H62 . NAG B 2 . ? 9.619 19.196 -22.796 1.00 0.00 ? 101 NAG A H62 9 HETATM 5807 H H81 . NAG B 2 . ? 4.471 20.883 -16.081 1.00 0.00 ? 101 NAG A H81 9 HETATM 5808 H H82 . NAG B 2 . ? 3.354 19.923 -17.108 1.00 0.00 ? 101 NAG A H82 9 HETATM 5809 H H83 . NAG B 2 . ? 4.242 19.129 -15.764 1.00 0.00 ? 101 NAG A H83 9 HETATM 5810 H HN2 . NAG B 2 . ? 5.043 21.126 -18.761 1.00 0.00 ? 101 NAG A HN2 9 HETATM 5811 H HO3 . NAG B 2 . ? 8.165 23.020 -19.595 1.00 0.00 ? 101 NAG A HO3 9 HETATM 5812 H HO4 . NAG B 2 . ? 9.598 22.057 -22.253 1.00 0.00 ? 101 NAG A HO4 9 HETATM 5813 H HO6 . NAG B 2 . ? 7.558 18.007 -23.642 1.00 0.00 ? 101 NAG A HO6 9 HETATM 5814 C C1 . NAG C 2 . ? -1.445 6.899 -38.476 1.00 0.00 ? 102 NAG A C1 9 HETATM 5815 C C2 . NAG C 2 . ? -0.183 6.138 -38.065 1.00 0.00 ? 102 NAG A C2 9 HETATM 5816 C C3 . NAG C 2 . ? -0.184 4.763 -38.742 1.00 0.00 ? 102 NAG A C3 9 HETATM 5817 C C4 . NAG C 2 . ? -1.508 4.060 -38.421 1.00 0.00 ? 102 NAG A C4 9 HETATM 5818 C C5 . NAG C 2 . ? -2.669 4.979 -38.805 1.00 0.00 ? 102 NAG A C5 9 HETATM 5819 C C6 . NAG C 2 . ? -3.994 4.270 -38.517 1.00 0.00 ? 102 NAG A C6 9 HETATM 5820 C C7 . NAG C 2 . ? 1.556 7.794 -37.653 1.00 0.00 ? 102 NAG A C7 9 HETATM 5821 C C8 . NAG C 2 . ? 2.775 8.566 -38.084 1.00 0.00 ? 102 NAG A C8 9 HETATM 5822 N N2 . NAG C 2 . ? 1.002 6.889 -38.484 1.00 0.00 ? 102 NAG A N2 9 HETATM 5823 O O3 . NAG C 2 . ? 0.905 3.979 -38.254 1.00 0.00 ? 102 NAG A O3 9 HETATM 5824 O O4 . NAG C 2 . ? -1.597 2.842 -39.162 1.00 0.00 ? 102 NAG A O4 9 HETATM 5825 O O5 . NAG C 2 . ? -2.602 6.185 -38.048 1.00 0.00 ? 102 NAG A O5 9 HETATM 5826 O O6 . NAG C 2 . ? -5.080 5.124 -38.881 1.00 0.00 ? 102 NAG A O6 9 HETATM 5827 O O7 . NAG C 2 . ? 1.073 7.986 -36.558 1.00 0.00 ? 102 NAG A O7 9 HETATM 5828 H H1 . NAG C 2 . ? -1.466 7.002 -39.571 1.00 0.00 ? 102 NAG A H1 9 HETATM 5829 H H2 . NAG C 2 . ? -0.166 6.014 -36.972 1.00 0.00 ? 102 NAG A H2 9 HETATM 5830 H H3 . NAG C 2 . ? -0.075 4.885 -39.830 1.00 0.00 ? 102 NAG A H3 9 HETATM 5831 H H4 . NAG C 2 . ? -1.553 3.832 -37.346 1.00 0.00 ? 102 NAG A H4 9 HETATM 5832 H H5 . NAG C 2 . ? -2.603 5.220 -39.877 1.00 0.00 ? 102 NAG A H5 9 HETATM 5833 H H61 . NAG C 2 . ? -4.049 3.327 -39.083 1.00 0.00 ? 102 NAG A H61 9 HETATM 5834 H H62 . NAG C 2 . ? -4.059 4.010 -37.450 1.00 0.00 ? 102 NAG A H62 9 HETATM 5835 H H81 . NAG C 2 . ? 3.552 7.866 -38.425 1.00 0.00 ? 102 NAG A H81 9 HETATM 5836 H H82 . NAG C 2 . ? 2.508 9.245 -38.907 1.00 0.00 ? 102 NAG A H82 9 HETATM 5837 H H83 . NAG C 2 . ? 3.158 9.153 -37.235 1.00 0.00 ? 102 NAG A H83 9 HETATM 5838 H HN2 . NAG C 2 . ? 1.400 6.730 -39.387 1.00 0.00 ? 102 NAG A HN2 9 HETATM 5839 H HO3 . NAG C 2 . ? 0.898 3.083 -38.698 1.00 0.00 ? 102 NAG A HO3 9 HETATM 5840 H HO4 . NAG C 2 . ? -2.139 2.177 -38.647 1.00 0.00 ? 102 NAG A HO4 9 HETATM 5841 H HO6 . NAG C 2 . ? -4.841 6.074 -38.677 1.00 0.00 ? 102 NAG A HO6 9 ATOM 5842 N N . LYS A 1 1 ? 2.309 -1.534 -3.474 1.00 0.00 ? 1 LYS A N 10 ATOM 5843 C CA . LYS A 1 1 ? 2.721 -1.108 -4.806 1.00 0.00 ? 1 LYS A CA 10 ATOM 5844 C C . LYS A 1 1 ? 4.240 -1.005 -4.898 1.00 0.00 ? 1 LYS A C 10 ATOM 5845 O O . LYS A 1 1 ? 4.942 -0.907 -3.891 1.00 0.00 ? 1 LYS A O 10 ATOM 5846 C CB . LYS A 1 1 ? 2.086 0.240 -5.152 1.00 0.00 ? 1 LYS A CB 10 ATOM 5847 C CG . LYS A 1 1 ? 0.703 0.120 -5.769 1.00 0.00 ? 1 LYS A CG 10 ATOM 5848 C CD . LYS A 1 1 ? -0.177 1.301 -5.398 1.00 0.00 ? 1 LYS A CD 10 ATOM 5849 C CE . LYS A 1 1 ? -1.651 0.981 -5.595 1.00 0.00 ? 1 LYS A CE 10 ATOM 5850 N NZ . LYS A 1 1 ? -2.095 1.245 -6.992 1.00 0.00 ? 1 LYS A NZ 10 ATOM 5851 H H1 . LYS A 1 1 ? 1.491 -2.066 -3.374 1.00 0.00 ? 1 LYS A H1 10 ATOM 5852 H HA . LYS A 1 1 ? 2.380 -1.850 -5.512 1.00 0.00 ? 1 LYS A HA 10 ATOM 5853 H HB2 . LYS A 1 1 ? 2.005 0.829 -4.250 1.00 0.00 ? 1 LYS A HB2 10 ATOM 5854 H HB3 . LYS A 1 1 ? 2.726 0.757 -5.853 1.00 0.00 ? 1 LYS A HB3 10 ATOM 5855 H HG2 . LYS A 1 1 ? 0.801 0.082 -6.844 1.00 0.00 ? 1 LYS A HG2 10 ATOM 5856 H HG3 . LYS A 1 1 ? 0.239 -0.789 -5.415 1.00 0.00 ? 1 LYS A HG3 10 ATOM 5857 H HD2 . LYS A 1 1 ? -0.011 1.552 -4.361 1.00 0.00 ? 1 LYS A HD2 10 ATOM 5858 H HD3 . LYS A 1 1 ? 0.085 2.145 -6.020 1.00 0.00 ? 1 LYS A HD3 10 ATOM 5859 H HE2 . LYS A 1 1 ? -1.814 -0.061 -5.365 1.00 0.00 ? 1 LYS A HE2 10 ATOM 5860 H HE3 . LYS A 1 1 ? -2.232 1.593 -4.920 1.00 0.00 ? 1 LYS A HE3 10 ATOM 5861 H HZ1 . LYS A 1 1 ? -1.544 2.027 -7.400 1.00 0.00 ? 1 LYS A HZ1 10 ATOM 5862 H HZ2 . LYS A 1 1 ? -3.103 1.500 -7.004 1.00 0.00 ? 1 LYS A HZ2 10 ATOM 5863 H HZ3 . LYS A 1 1 ? -1.957 0.396 -7.576 1.00 0.00 ? 1 LYS A HZ3 10 ATOM 5864 N N . PRO A 1 2 ? 4.762 -1.026 -6.133 1.00 0.00 ? 2 PRO A N 10 ATOM 5865 C CA . PRO A 1 2 ? 6.203 -0.934 -6.386 1.00 0.00 ? 2 PRO A CA 10 ATOM 5866 C C . PRO A 1 2 ? 6.760 0.450 -6.069 1.00 0.00 ? 2 PRO A C 10 ATOM 5867 O O . PRO A 1 2 ? 6.080 1.279 -5.464 1.00 0.00 ? 2 PRO A O 10 ATOM 5868 C CB . PRO A 1 2 ? 6.320 -1.226 -7.884 1.00 0.00 ? 2 PRO A CB 10 ATOM 5869 C CG . PRO A 1 2 ? 4.997 -0.840 -8.450 1.00 0.00 ? 2 PRO A CG 10 ATOM 5870 C CD . PRO A 1 2 ? 3.985 -1.141 -7.379 1.00 0.00 ? 2 PRO A CD 10 ATOM 5871 H HA . PRO A 1 2 ? 6.752 -1.678 -5.828 1.00 0.00 ? 2 PRO A HA 10 ATOM 5872 H HB2 . PRO A 1 2 ? 7.120 -0.635 -8.308 1.00 0.00 ? 2 PRO A HB2 10 ATOM 5873 H HB3 . PRO A 1 2 ? 6.522 -2.276 -8.035 1.00 0.00 ? 2 PRO A HB3 10 ATOM 5874 H HG2 . PRO A 1 2 ? 4.992 0.213 -8.686 1.00 0.00 ? 2 PRO A HG2 10 ATOM 5875 H HG3 . PRO A 1 2 ? 4.791 -1.425 -9.334 1.00 0.00 ? 2 PRO A HG3 10 ATOM 5876 H HD2 . PRO A 1 2 ? 3.184 -0.416 -7.402 1.00 0.00 ? 2 PRO A HD2 10 ATOM 5877 H HD3 . PRO A 1 2 ? 3.595 -2.141 -7.498 1.00 0.00 ? 2 PRO A HD3 10 ATOM 5878 N N . ALA A 1 3 ? 8.000 0.693 -6.481 1.00 0.00 ? 3 ALA A N 10 ATOM 5879 C CA . ALA A 1 3 ? 8.646 1.977 -6.243 1.00 0.00 ? 3 ALA A CA 10 ATOM 5880 C C . ALA A 1 3 ? 8.372 2.950 -7.384 1.00 0.00 ? 3 ALA A C 10 ATOM 5881 O O . ALA A 1 3 ? 8.986 4.014 -7.467 1.00 0.00 ? 3 ALA A O 10 ATOM 5882 C CB . ALA A 1 3 ? 10.144 1.788 -6.057 1.00 0.00 ? 3 ALA A CB 10 ATOM 5883 H H . ALA A 1 3 ? 8.490 -0.008 -6.958 1.00 0.00 ? 3 ALA A H 10 ATOM 5884 H HA . ALA A 1 3 ? 8.244 2.389 -5.328 1.00 0.00 ? 3 ALA A HA 10 ATOM 5885 H HB1 . ALA A 1 3 ? 10.586 1.482 -6.994 1.00 0.00 ? 3 ALA A HB1 10 ATOM 5886 H HB2 . ALA A 1 3 ? 10.588 2.718 -5.736 1.00 0.00 ? 3 ALA A HB2 10 ATOM 5887 H HB3 . ALA A 1 3 ? 10.321 1.027 -5.311 1.00 0.00 ? 3 ALA A HB3 10 ATOM 5888 N N . TRP A 1 4 ? 7.446 2.580 -8.261 1.00 0.00 ? 4 TRP A N 10 ATOM 5889 C CA . TRP A 1 4 ? 7.091 3.420 -9.399 1.00 0.00 ? 4 TRP A CA 10 ATOM 5890 C C . TRP A 1 4 ? 5.755 4.117 -9.165 1.00 0.00 ? 4 TRP A C 10 ATOM 5891 O O . TRP A 1 4 ? 5.614 5.312 -9.425 1.00 0.00 ? 4 TRP A O 10 ATOM 5892 C CB . TRP A 1 4 ? 7.027 2.584 -10.678 1.00 0.00 ? 4 TRP A CB 10 ATOM 5893 C CG . TRP A 1 4 ? 7.776 1.289 -10.579 1.00 0.00 ? 4 TRP A CG 10 ATOM 5894 C CD1 . TRP A 1 4 ? 9.062 1.117 -10.150 1.00 0.00 ? 4 TRP A CD1 10 ATOM 5895 C CD2 . TRP A 1 4 ? 7.286 -0.013 -10.917 1.00 0.00 ? 4 TRP A CD2 10 ATOM 5896 N NE1 . TRP A 1 4 ? 9.400 -0.214 -10.202 1.00 0.00 ? 4 TRP A NE1 10 ATOM 5897 C CE2 . TRP A 1 4 ? 8.328 -0.928 -10.668 1.00 0.00 ? 4 TRP A CE2 10 ATOM 5898 C CE3 . TRP A 1 4 ? 6.068 -0.495 -11.404 1.00 0.00 ? 4 TRP A CE3 10 ATOM 5899 C CZ2 . TRP A 1 4 ? 8.187 -2.295 -10.891 1.00 0.00 ? 4 TRP A CZ2 10 ATOM 5900 C CZ3 . TRP A 1 4 ? 5.930 -1.852 -11.625 1.00 0.00 ? 4 TRP A CZ3 10 ATOM 5901 C CH2 . TRP A 1 4 ? 6.984 -2.739 -11.368 1.00 0.00 ? 4 TRP A CH2 10 ATOM 5902 H H . TRP A 1 4 ? 6.991 1.720 -8.142 1.00 0.00 ? 4 TRP A H 10 ATOM 5903 H HA . TRP A 1 4 ? 7.861 4.170 -9.509 1.00 0.00 ? 4 TRP A HA 10 ATOM 5904 H HB2 . TRP A 1 4 ? 5.996 2.355 -10.900 1.00 0.00 ? 4 TRP A HB2 10 ATOM 5905 H HB3 . TRP A 1 4 ? 7.450 3.153 -11.493 1.00 0.00 ? 4 TRP A HB3 10 ATOM 5906 H HD1 . TRP A 1 4 ? 9.706 1.919 -9.824 1.00 0.00 ? 4 TRP A HD1 10 ATOM 5907 H HE1 . TRP A 1 4 ? 10.268 -0.590 -9.944 1.00 0.00 ? 4 TRP A HE1 10 ATOM 5908 H HE3 . TRP A 1 4 ? 5.245 0.173 -11.608 1.00 0.00 ? 4 TRP A HE3 10 ATOM 5909 H HZ2 . TRP A 1 4 ? 8.989 -2.992 -10.697 1.00 0.00 ? 4 TRP A HZ2 10 ATOM 5910 H HZ3 . TRP A 1 4 ? 4.996 -2.243 -12.002 1.00 0.00 ? 4 TRP A HZ3 10 ATOM 5911 H HH2 . TRP A 1 4 ? 6.831 -3.791 -11.556 1.00 0.00 ? 4 TRP A HH2 10 ATOM 5912 N N . CYS A 1 5 ? 4.778 3.363 -8.674 1.00 0.00 ? 5 CYS A N 10 ATOM 5913 C CA . CYS A 1 5 ? 3.453 3.908 -8.405 1.00 0.00 ? 5 CYS A CA 10 ATOM 5914 C C . CYS A 1 5 ? 3.352 4.409 -6.967 1.00 0.00 ? 5 CYS A C 10 ATOM 5915 O O . CYS A 1 5 ? 4.356 4.508 -6.262 1.00 0.00 ? 5 CYS A O 10 ATOM 5916 C CB . CYS A 1 5 ? 2.380 2.848 -8.663 1.00 0.00 ? 5 CYS A CB 10 ATOM 5917 S SG . CYS A 1 5 ? 2.637 1.887 -10.190 1.00 0.00 ? 5 CYS A SG 10 ATOM 5918 H H . CYS A 1 5 ? 4.952 2.416 -8.487 1.00 0.00 ? 5 CYS A H 10 ATOM 5919 H HA . CYS A 1 5 ? 3.293 4.739 -9.075 1.00 0.00 ? 5 CYS A HA 10 ATOM 5920 H HB2 . CYS A 1 5 ? 2.367 2.152 -7.837 1.00 0.00 ? 5 CYS A HB2 10 ATOM 5921 H HB3 . CYS A 1 5 ? 1.417 3.331 -8.736 1.00 0.00 ? 5 CYS A HB3 10 ATOM 5922 N N . TRP A 1 6 ? 2.135 4.724 -6.541 1.00 0.00 ? 6 TRP A N 10 ATOM 5923 C CA . TRP A 1 6 ? 1.902 5.215 -5.187 1.00 0.00 ? 6 TRP A CA 10 ATOM 5924 C C . TRP A 1 6 ? 0.466 4.948 -4.750 1.00 0.00 ? 6 TRP A C 10 ATOM 5925 O O . TRP A 1 6 ? 0.224 4.464 -3.644 1.00 0.00 ? 6 TRP A O 10 ATOM 5926 C CB . TRP A 1 6 ? 2.203 6.713 -5.107 1.00 0.00 ? 6 TRP A CB 10 ATOM 5927 C CG . TRP A 1 6 ? 2.989 7.097 -3.890 1.00 0.00 ? 6 TRP A CG 10 ATOM 5928 C CD1 . TRP A 1 6 ? 4.327 7.367 -3.831 1.00 0.00 ? 6 TRP A CD1 10 ATOM 5929 C CD2 . TRP A 1 6 ? 2.487 7.251 -2.559 1.00 0.00 ? 6 TRP A CD2 10 ATOM 5930 N NE1 . TRP A 1 6 ? 4.686 7.680 -2.542 1.00 0.00 ? 6 TRP A NE1 10 ATOM 5931 C CE2 . TRP A 1 6 ? 3.575 7.617 -1.743 1.00 0.00 ? 6 TRP A CE2 10 ATOM 5932 C CE3 . TRP A 1 6 ? 1.224 7.118 -1.976 1.00 0.00 ? 6 TRP A CE3 10 ATOM 5933 C CZ2 . TRP A 1 6 ? 3.436 7.849 -0.377 1.00 0.00 ? 6 TRP A CZ2 10 ATOM 5934 C CZ3 . TRP A 1 6 ? 1.088 7.348 -0.621 1.00 0.00 ? 6 TRP A CZ3 10 ATOM 5935 C CH2 . TRP A 1 6 ? 2.188 7.711 0.167 1.00 0.00 ? 6 TRP A CH2 10 ATOM 5936 H H . TRP A 1 6 ? 1.373 4.624 -7.150 1.00 0.00 ? 6 TRP A H 10 ATOM 5937 H HA . TRP A 1 6 ? 2.572 4.687 -4.524 1.00 0.00 ? 6 TRP A HA 10 ATOM 5938 H HB2 . TRP A 1 6 ? 2.770 7.007 -5.977 1.00 0.00 ? 6 TRP A HB2 10 ATOM 5939 H HB3 . TRP A 1 6 ? 1.270 7.259 -5.088 1.00 0.00 ? 6 TRP A HB3 10 ATOM 5940 H HD1 . TRP A 1 6 ? 4.992 7.334 -4.680 1.00 0.00 ? 6 TRP A HD1 10 ATOM 5941 H HE1 . TRP A 1 6 ? 5.591 7.913 -2.245 1.00 0.00 ? 6 TRP A HE1 10 ATOM 5942 H HE3 . TRP A 1 6 ? 0.363 6.839 -2.567 1.00 0.00 ? 6 TRP A HE3 10 ATOM 5943 H HZ2 . TRP A 1 6 ? 4.275 8.130 0.243 1.00 0.00 ? 6 TRP A HZ2 10 ATOM 5944 H HZ3 . TRP A 1 6 ? 0.119 7.249 -0.153 1.00 0.00 ? 6 TRP A HZ3 10 ATOM 5945 H HH2 . TRP A 1 6 ? 2.036 7.881 1.221 1.00 0.00 ? 6 TRP A HH2 10 ATOM 5946 N N . TYR A 1 7 ? -0.482 5.265 -5.624 1.00 0.00 ? 7 TYR A N 10 ATOM 5947 C CA . TYR A 1 7 ? -1.895 5.061 -5.326 1.00 0.00 ? 7 TYR A CA 10 ATOM 5948 C C . TYR A 1 7 ? -2.754 5.313 -6.562 1.00 0.00 ? 7 TYR A C 10 ATOM 5949 O O . TYR A 1 7 ? -2.244 5.414 -7.678 1.00 0.00 ? 7 TYR A O 10 ATOM 5950 C CB . TYR A 1 7 ? -2.336 5.983 -4.188 1.00 0.00 ? 7 TYR A CB 10 ATOM 5951 C CG . TYR A 1 7 ? -3.211 5.300 -3.161 1.00 0.00 ? 7 TYR A CG 10 ATOM 5952 C CD1 . TYR A 1 7 ? -2.750 4.203 -2.445 1.00 0.00 ? 7 TYR A CD1 10 ATOM 5953 C CD2 . TYR A 1 7 ? -4.500 5.753 -2.907 1.00 0.00 ? 7 TYR A CD2 10 ATOM 5954 C CE1 . TYR A 1 7 ? -3.546 3.576 -1.506 1.00 0.00 ? 7 TYR A CE1 10 ATOM 5955 C CE2 . TYR A 1 7 ? -5.303 5.134 -1.969 1.00 0.00 ? 7 TYR A CE2 10 ATOM 5956 C CZ . TYR A 1 7 ? -4.822 4.045 -1.271 1.00 0.00 ? 7 TYR A CZ 10 ATOM 5957 O OH . TYR A 1 7 ? -5.618 3.424 -0.336 1.00 0.00 ? 7 TYR A OH 10 ATOM 5958 H H . TYR A 1 7 ? -0.227 5.647 -6.489 1.00 0.00 ? 7 TYR A H 10 ATOM 5959 H HA . TYR A 1 7 ? -2.024 4.034 -5.016 1.00 0.00 ? 7 TYR A HA 10 ATOM 5960 H HB2 . TYR A 1 7 ? -1.463 6.360 -3.680 1.00 0.00 ? 7 TYR A HB2 10 ATOM 5961 H HB3 . TYR A 1 7 ? -2.893 6.811 -4.601 1.00 0.00 ? 7 TYR A HB3 10 ATOM 5962 H HD1 . TYR A 1 7 ? -1.749 3.839 -2.631 1.00 0.00 ? 7 TYR A HD1 10 ATOM 5963 H HD2 . TYR A 1 7 ? -4.874 6.606 -3.454 1.00 0.00 ? 7 TYR A HD2 10 ATOM 5964 H HE1 . TYR A 1 7 ? -3.169 2.724 -0.960 1.00 0.00 ? 7 TYR A HE1 10 ATOM 5965 H HE2 . TYR A 1 7 ? -6.302 5.500 -1.785 1.00 0.00 ? 7 TYR A HE2 10 ATOM 5966 H HH . TYR A 1 7 ? -6.539 3.628 -0.515 1.00 0.00 ? 7 TYR A HH 10 ATOM 5967 N N . THR A 1 8 ? -4.063 5.414 -6.354 1.00 0.00 ? 8 THR A N 10 ATOM 5968 C CA . THR A 1 8 ? -4.995 5.653 -7.449 1.00 0.00 ? 8 THR A CA 10 ATOM 5969 C C . THR A 1 8 ? -5.373 7.127 -7.537 1.00 0.00 ? 8 THR A C 10 ATOM 5970 O O . THR A 1 8 ? -6.440 7.476 -8.043 1.00 0.00 ? 8 THR A O 10 ATOM 5971 C CB . THR A 1 8 ? -6.277 4.815 -7.289 1.00 0.00 ? 8 THR A CB 10 ATOM 5972 O OG1 . THR A 1 8 ? -5.951 3.511 -6.795 1.00 0.00 ? 8 THR A OG1 10 ATOM 5973 C CG2 . THR A 1 8 ? -7.011 4.691 -8.615 1.00 0.00 ? 8 THR A CG2 10 ATOM 5974 H H . THR A 1 8 ? -4.409 5.324 -5.442 1.00 0.00 ? 8 THR A H 10 ATOM 5975 H HA . THR A 1 8 ? -4.510 5.360 -8.369 1.00 0.00 ? 8 THR A HA 10 ATOM 5976 H HB . THR A 1 8 ? -6.926 5.309 -6.580 1.00 0.00 ? 8 THR A HB 10 ATOM 5977 H HG1 . THR A 1 8 ? -6.206 3.445 -5.872 1.00 0.00 ? 8 THR A HG1 10 ATOM 5978 H HG21 . THR A 1 8 ? -6.469 5.229 -9.378 1.00 0.00 ? 8 THR A HG21 10 ATOM 5979 H HG22 . THR A 1 8 ? -8.003 5.109 -8.518 1.00 0.00 ? 8 THR A HG22 10 ATOM 5980 H HG23 . THR A 1 8 ? -7.084 3.650 -8.891 1.00 0.00 ? 8 THR A HG23 10 ATOM 5981 N N . LEU A 1 9 ? -4.492 7.990 -7.041 1.00 0.00 ? 9 LEU A N 10 ATOM 5982 C CA . LEU A 1 9 ? -4.733 9.428 -7.065 1.00 0.00 ? 9 LEU A CA 10 ATOM 5983 C C . LEU A 1 9 ? -4.671 9.968 -8.490 1.00 0.00 ? 9 LEU A C 10 ATOM 5984 O O . LEU A 1 9 ? -5.302 10.974 -8.811 1.00 0.00 ? 9 LEU A O 10 ATOM 5985 C CB . LEU A 1 9 ? -3.709 10.151 -6.189 1.00 0.00 ? 9 LEU A CB 10 ATOM 5986 C CG . LEU A 1 9 ? -4.144 10.451 -4.754 1.00 0.00 ? 9 LEU A CG 10 ATOM 5987 C CD1 . LEU A 1 9 ? -4.064 9.196 -3.899 1.00 0.00 ? 9 LEU A CD1 10 ATOM 5988 C CD2 . LEU A 1 9 ? -3.290 11.560 -4.158 1.00 0.00 ? 9 LEU A CD2 10 ATOM 5989 H H . LEU A 1 9 ? -3.659 7.652 -6.651 1.00 0.00 ? 9 LEU A H 10 ATOM 5990 H HA . LEU A 1 9 ? -5.722 9.605 -6.668 1.00 0.00 ? 9 LEU A HA 10 ATOM 5991 H HB2 . LEU A 1 9 ? -2.821 9.539 -6.143 1.00 0.00 ? 9 LEU A HB2 10 ATOM 5992 H HB3 . LEU A 1 9 ? -3.471 11.091 -6.666 1.00 0.00 ? 9 LEU A HB3 10 ATOM 5993 H HG . LEU A 1 9 ? -5.173 10.785 -4.759 1.00 0.00 ? 9 LEU A HG 10 ATOM 5994 H HD11 . LEU A 1 9 ? -4.593 8.392 -4.389 1.00 0.00 ? 9 LEU A HD11 10 ATOM 5995 H HD12 . LEU A 1 9 ? -4.513 9.387 -2.936 1.00 0.00 ? 9 LEU A HD12 10 ATOM 5996 H HD13 . LEU A 1 9 ? -3.029 8.918 -3.764 1.00 0.00 ? 9 LEU A HD13 10 ATOM 5997 H HD21 . LEU A 1 9 ? -3.366 12.444 -4.774 1.00 0.00 ? 9 LEU A HD21 10 ATOM 5998 H HD22 . LEU A 1 9 ? -2.260 11.238 -4.115 1.00 0.00 ? 9 LEU A HD22 10 ATOM 5999 H HD23 . LEU A 1 9 ? -3.638 11.785 -3.159 1.00 0.00 ? 9 LEU A HD23 10 ATOM 6000 N N . ALA A 1 10 ? -3.908 9.290 -9.341 1.00 0.00 ? 10 ALA A N 10 ATOM 6001 C CA . ALA A 1 10 ? -3.768 9.699 -10.733 1.00 0.00 ? 10 ALA A CA 10 ATOM 6002 C C . ALA A 1 10 ? -3.070 11.050 -10.841 1.00 0.00 ? 10 ALA A C 10 ATOM 6003 O O . ALA A 1 10 ? -3.649 12.022 -11.326 1.00 0.00 ? 10 ALA A O 10 ATOM 6004 C CB . ALA A 1 10 ? -5.130 9.751 -11.408 1.00 0.00 ? 10 ALA A CB 10 ATOM 6005 H H . ALA A 1 10 ? -3.430 8.495 -9.026 1.00 0.00 ? 10 ALA A H 10 ATOM 6006 H HA . ALA A 1 10 ? -3.170 8.955 -11.241 1.00 0.00 ? 10 ALA A HA 10 ATOM 6007 H HB1 . ALA A 1 10 ? -5.010 9.608 -12.472 1.00 0.00 ? 10 ALA A HB1 10 ATOM 6008 H HB2 . ALA A 1 10 ? -5.760 8.971 -11.008 1.00 0.00 ? 10 ALA A HB2 10 ATOM 6009 H HB3 . ALA A 1 10 ? -5.586 10.712 -11.224 1.00 0.00 ? 10 ALA A HB3 10 ATOM 6010 N N . MET A 1 11 ? -1.822 11.104 -10.385 1.00 0.00 ? 11 MET A N 10 ATOM 6011 C CA . MET A 1 11 ? -1.045 12.338 -10.431 1.00 0.00 ? 11 MET A CA 10 ATOM 6012 C C . MET A 1 11 ? -1.053 12.933 -11.835 1.00 0.00 ? 11 MET A C 10 ATOM 6013 O O . MET A 1 11 ? -1.669 13.972 -12.077 1.00 0.00 ? 11 MET A O 10 ATOM 6014 C CB . MET A 1 11 ? 0.394 12.076 -9.984 1.00 0.00 ? 11 MET A CB 10 ATOM 6015 C CG . MET A 1 11 ? 0.497 11.461 -8.597 1.00 0.00 ? 11 MET A CG 10 ATOM 6016 S SD . MET A 1 11 ? 0.376 12.689 -7.282 1.00 0.00 ? 11 MET A SD 10 ATOM 6017 C CE . MET A 1 11 ? -0.951 11.999 -6.297 1.00 0.00 ? 11 MET A CE 10 ATOM 6018 H H . MET A 1 11 ? -1.414 10.296 -10.010 1.00 0.00 ? 11 MET A H 10 ATOM 6019 H HA . MET A 1 11 ? -1.502 13.042 -9.751 1.00 0.00 ? 11 MET A HA 10 ATOM 6020 H HB2 . MET A 1 11 ? 0.861 11.404 -10.688 1.00 0.00 ? 11 MET A HB2 10 ATOM 6021 H HB3 . MET A 1 11 ? 0.933 13.012 -9.980 1.00 0.00 ? 11 MET A HB3 10 ATOM 6022 H HG2 . MET A 1 11 ? -0.301 10.744 -8.475 1.00 0.00 ? 11 MET A HG2 10 ATOM 6023 H HG3 . MET A 1 11 ? 1.448 10.956 -8.513 1.00 0.00 ? 11 MET A HG3 10 ATOM 6024 H HE1 . MET A 1 11 ? -0.549 11.617 -5.369 1.00 0.00 ? 11 MET A HE1 10 ATOM 6025 H HE2 . MET A 1 11 ? -1.679 12.768 -6.084 1.00 0.00 ? 11 MET A HE2 10 ATOM 6026 H HE3 . MET A 1 11 ? -1.424 11.196 -6.842 1.00 0.00 ? 11 MET A HE3 10 ATOM 6027 N N . CYS A 1 12 ? -0.366 12.270 -12.759 1.00 0.00 ? 12 CYS A N 10 ATOM 6028 C CA . CYS A 1 12 ? -0.293 12.733 -14.139 1.00 0.00 ? 12 CYS A CA 10 ATOM 6029 C C . CYS A 1 12 ? -1.689 12.907 -14.729 1.00 0.00 ? 12 CYS A C 10 ATOM 6030 O O . CYS A 1 12 ? -2.642 12.260 -14.296 1.00 0.00 ? 12 CYS A O 10 ATOM 6031 C CB . CYS A 1 12 ? 0.513 11.748 -14.988 1.00 0.00 ? 12 CYS A CB 10 ATOM 6032 S SG . CYS A 1 12 ? -0.341 10.171 -15.308 1.00 0.00 ? 12 CYS A SG 10 ATOM 6033 H H . CYS A 1 12 ? 0.105 11.447 -12.505 1.00 0.00 ? 12 CYS A H 10 ATOM 6034 H HA . CYS A 1 12 ? 0.207 13.690 -14.142 1.00 0.00 ? 12 CYS A HA 10 ATOM 6035 H HB2 . CYS A 1 12 ? 0.731 12.202 -15.943 1.00 0.00 ? 12 CYS A HB2 10 ATOM 6036 H HB3 . CYS A 1 12 ? 1.441 11.524 -14.482 1.00 0.00 ? 12 CYS A HB3 10 ATOM 6037 N N . GLY A 1 13 ? -1.802 13.785 -15.721 1.00 0.00 ? 13 GLY A N 10 ATOM 6038 C CA . GLY A 1 13 ? -3.085 14.028 -16.355 1.00 0.00 ? 13 GLY A CA 10 ATOM 6039 C C . GLY A 1 13 ? -3.803 15.227 -15.769 1.00 0.00 ? 13 GLY A C 10 ATOM 6040 O O . GLY A 1 13 ? -4.663 15.822 -16.418 1.00 0.00 ? 13 GLY A O 10 ATOM 6041 H H . GLY A 1 13 ? -1.007 14.272 -16.025 1.00 0.00 ? 13 GLY A H 10 ATOM 6042 H HA2 . GLY A 1 13 ? -2.927 14.196 -17.410 1.00 0.00 ? 13 GLY A HA2 10 ATOM 6043 H HA3 . GLY A 1 13 ? -3.707 13.153 -16.229 1.00 0.00 ? 13 GLY A HA3 10 ATOM 6044 N N . ALA A 1 14 ? -3.452 15.582 -14.537 1.00 0.00 ? 14 ALA A N 10 ATOM 6045 C CA . ALA A 1 14 ? -4.069 16.717 -13.864 1.00 0.00 ? 14 ALA A CA 10 ATOM 6046 C C . ALA A 1 14 ? -3.106 17.897 -13.784 1.00 0.00 ? 14 ALA A C 10 ATOM 6047 O O . ALA A 1 14 ? -3.233 18.757 -12.912 1.00 0.00 ? 14 ALA A O 10 ATOM 6048 C CB . ALA A 1 14 ? -4.533 16.317 -12.471 1.00 0.00 ? 14 ALA A CB 10 ATOM 6049 H H . ALA A 1 14 ? -2.759 15.068 -14.071 1.00 0.00 ? 14 ALA A H 10 ATOM 6050 H HA . ALA A 1 14 ? -4.937 17.013 -14.435 1.00 0.00 ? 14 ALA A HA 10 ATOM 6051 H HB1 . ALA A 1 14 ? -3.684 15.985 -11.891 1.00 0.00 ? 14 ALA A HB1 10 ATOM 6052 H HB2 . ALA A 1 14 ? -4.990 17.166 -11.986 1.00 0.00 ? 14 ALA A HB2 10 ATOM 6053 H HB3 . ALA A 1 14 ? -5.252 15.515 -12.548 1.00 0.00 ? 14 ALA A HB3 10 ATOM 6054 N N . GLY A 1 15 ? -2.142 17.932 -14.699 1.00 0.00 ? 15 GLY A N 10 ATOM 6055 C CA . GLY A 1 15 ? -1.171 19.011 -14.713 1.00 0.00 ? 15 GLY A CA 10 ATOM 6056 C C . GLY A 1 15 ? 0.109 18.649 -13.986 1.00 0.00 ? 15 GLY A C 10 ATOM 6057 O O . GLY A 1 15 ? 0.946 19.512 -13.723 1.00 0.00 ? 15 GLY A O 10 ATOM 6058 H H . GLY A 1 15 ? -2.090 17.220 -15.370 1.00 0.00 ? 15 GLY A H 10 ATOM 6059 H HA2 . GLY A 1 15 ? -0.935 19.254 -15.738 1.00 0.00 ? 15 GLY A HA2 10 ATOM 6060 H HA3 . GLY A 1 15 ? -1.607 19.878 -14.239 1.00 0.00 ? 15 GLY A HA3 10 ATOM 6061 N N . TYR A 1 16 ? 0.260 17.370 -13.660 1.00 0.00 ? 16 TYR A N 10 ATOM 6062 C CA . TYR A 1 16 ? 1.445 16.896 -12.955 1.00 0.00 ? 16 TYR A CA 10 ATOM 6063 C C . TYR A 1 16 ? 2.553 16.530 -13.938 1.00 0.00 ? 16 TYR A C 10 ATOM 6064 O O . TYR A 1 16 ? 3.737 16.573 -13.601 1.00 0.00 ? 16 TYR A O 10 ATOM 6065 C CB . TYR A 1 16 ? 1.098 15.686 -12.087 1.00 0.00 ? 16 TYR A CB 10 ATOM 6066 C CG . TYR A 1 16 ? 0.797 16.040 -10.648 1.00 0.00 ? 16 TYR A CG 10 ATOM 6067 C CD1 . TYR A 1 16 ? -0.247 16.898 -10.326 1.00 0.00 ? 16 TYR A CD1 10 ATOM 6068 C CD2 . TYR A 1 16 ? 1.557 15.515 -9.609 1.00 0.00 ? 16 TYR A CD2 10 ATOM 6069 C CE1 . TYR A 1 16 ? -0.525 17.224 -9.013 1.00 0.00 ? 16 TYR A CE1 10 ATOM 6070 C CE2 . TYR A 1 16 ? 1.286 15.835 -8.293 1.00 0.00 ? 16 TYR A CE2 10 ATOM 6071 C CZ . TYR A 1 16 ? 0.244 16.690 -8.000 1.00 0.00 ? 16 TYR A CZ 10 ATOM 6072 O OH . TYR A 1 16 ? -0.030 17.012 -6.690 1.00 0.00 ? 16 TYR A OH 10 ATOM 6073 H H . TYR A 1 16 ? -0.443 16.729 -13.897 1.00 0.00 ? 16 TYR A H 10 ATOM 6074 H HA . TYR A 1 16 ? 1.794 17.696 -12.318 1.00 0.00 ? 16 TYR A HA 10 ATOM 6075 H HB2 . TYR A 1 16 ? 0.228 15.196 -12.496 1.00 0.00 ? 16 TYR A HB2 10 ATOM 6076 H HB3 . TYR A 1 16 ? 1.930 14.997 -12.092 1.00 0.00 ? 16 TYR A HB3 10 ATOM 6077 H HD1 . TYR A 1 16 ? -0.848 17.314 -11.122 1.00 0.00 ? 16 TYR A HD1 10 ATOM 6078 H HD2 . TYR A 1 16 ? 2.373 14.846 -9.842 1.00 0.00 ? 16 TYR A HD2 10 ATOM 6079 H HE1 . TYR A 1 16 ? -1.341 17.893 -8.783 1.00 0.00 ? 16 TYR A HE1 10 ATOM 6080 H HE2 . TYR A 1 16 ? 1.888 15.417 -7.500 1.00 0.00 ? 16 TYR A HE2 10 ATOM 6081 H HH . TYR A 1 16 ? -0.941 16.785 -6.490 1.00 0.00 ? 16 TYR A HH 10 ATOM 6082 N N . ASP A 1 17 ? 2.161 16.171 -15.155 1.00 0.00 ? 17 ASP A N 10 ATOM 6083 C CA . ASP A 1 17 ? 3.119 15.799 -16.189 1.00 0.00 ? 17 ASP A CA 10 ATOM 6084 C C . ASP A 1 17 ? 2.894 16.615 -17.458 1.00 0.00 ? 17 ASP A C 10 ATOM 6085 O O . ASP A 1 17 ? 2.067 17.527 -17.483 1.00 0.00 ? 17 ASP A O 10 ATOM 6086 C CB . ASP A 1 17 ? 3.009 14.306 -16.502 1.00 0.00 ? 17 ASP A CB 10 ATOM 6087 C CG . ASP A 1 17 ? 3.351 13.437 -15.308 1.00 0.00 ? 17 ASP A CG 10 ATOM 6088 O OD1 . ASP A 1 17 ? 2.752 13.645 -14.233 1.00 0.00 ? 17 ASP A OD1 10 ATOM 6089 O OD2 . ASP A 1 17 ? 4.218 12.549 -15.448 1.00 0.00 ? 17 ASP A OD2 10 ATOM 6090 H H . ASP A 1 17 ? 1.203 16.157 -15.363 1.00 0.00 ? 17 ASP A H 10 ATOM 6091 H HA . ASP A 1 17 ? 4.110 16.006 -15.813 1.00 0.00 ? 17 ASP A HA 10 ATOM 6092 H HB2 . ASP A 1 17 ? 1.998 14.082 -16.809 1.00 0.00 ? 17 ASP A HB2 10 ATOM 6093 H HB3 . ASP A 1 17 ? 3.687 14.063 -17.308 1.00 0.00 ? 17 ASP A HB3 10 ATOM 6094 N N . SER A 1 18 ? 3.637 16.283 -18.509 1.00 0.00 ? 18 SER A N 10 ATOM 6095 C CA . SER A 1 18 ? 3.523 16.989 -19.780 1.00 0.00 ? 18 SER A CA 10 ATOM 6096 C C . SER A 1 18 ? 2.383 16.417 -20.618 1.00 0.00 ? 18 SER A C 10 ATOM 6097 O O . SER A 1 18 ? 2.683 15.444 -21.308 1.00 0.00 ? 18 SER A O 10 ATOM 6098 C CB . SER A 1 18 ? 4.837 16.899 -20.557 1.00 0.00 ? 18 SER A CB 10 ATOM 6099 O OG . SER A 1 18 ? 5.812 17.771 -20.013 1.00 0.00 ? 18 SER A OG 10 ATOM 6100 H H . SER A 1 18 ? 4.279 15.547 -18.426 1.00 0.00 ? 18 SER A H 10 ATOM 6101 H HA . SER A 1 18 ? 3.311 18.025 -19.565 1.00 0.00 ? 18 SER A HA 10 ATOM 6102 H HB2 . SER A 1 18 ? 5.211 15.888 -20.512 1.00 0.00 ? 18 SER A HB2 10 ATOM 6103 H HB3 . SER A 1 18 ? 4.662 17.173 -21.588 1.00 0.00 ? 18 SER A HB3 10 ATOM 6104 N N . GLY A 1 19 ? 1.246 16.453 -19.901 1.00 0.00 ? 19 GLY A N 10 ATOM 6105 C CA . GLY A 1 19 ? 0.297 15.356 -19.945 1.00 0.00 ? 19 GLY A CA 10 ATOM 6106 C C . GLY A 1 19 ? 0.914 14.076 -20.472 1.00 0.00 ? 19 GLY A C 10 ATOM 6107 O O . GLY A 1 19 ? 0.712 13.710 -21.630 1.00 0.00 ? 19 GLY A O 10 ATOM 6108 H H . GLY A 1 19 ? 1.055 17.242 -19.353 1.00 0.00 ? 19 GLY A H 10 ATOM 6109 H HA2 . GLY A 1 19 ? -0.078 15.179 -18.948 1.00 0.00 ? 19 GLY A HA2 10 ATOM 6110 H HA3 . GLY A 1 19 ? -0.528 15.634 -20.585 1.00 0.00 ? 19 GLY A HA3 10 ATOM 6111 N N . THR A 1 20 ? 1.671 13.391 -19.620 1.00 0.00 ? 20 THR A N 10 ATOM 6112 C CA . THR A 1 20 ? 2.323 12.146 -20.006 1.00 0.00 ? 20 THR A CA 10 ATOM 6113 C C . THR A 1 20 ? 2.530 11.237 -18.801 1.00 0.00 ? 20 THR A C 10 ATOM 6114 O O . THR A 1 20 ? 2.903 11.696 -17.721 1.00 0.00 ? 20 THR A O 10 ATOM 6115 C CB . THR A 1 20 ? 3.684 12.409 -20.677 1.00 0.00 ? 20 THR A CB 10 ATOM 6116 O OG1 . THR A 1 20 ? 4.155 11.217 -21.315 1.00 0.00 ? 20 THR A OG1 10 ATOM 6117 C CG2 . THR A 1 20 ? 4.708 12.881 -19.655 1.00 0.00 ? 20 THR A CG2 10 ATOM 6118 H H . THR A 1 20 ? 1.794 13.734 -18.710 1.00 0.00 ? 20 THR A H 10 ATOM 6119 H HA . THR A 1 20 ? 1.685 11.643 -20.719 1.00 0.00 ? 20 THR A HA 10 ATOM 6120 H HB . THR A 1 20 ? 3.559 13.182 -21.422 1.00 0.00 ? 20 THR A HB 10 ATOM 6121 H HG1 . THR A 1 20 ? 5.014 11.383 -21.711 1.00 0.00 ? 20 THR A HG1 10 ATOM 6122 H HG21 . THR A 1 20 ? 5.640 13.100 -20.155 1.00 0.00 ? 20 THR A HG21 10 ATOM 6123 H HG22 . THR A 1 20 ? 4.868 12.105 -18.921 1.00 0.00 ? 20 THR A HG22 10 ATOM 6124 H HG23 . THR A 1 20 ? 4.344 13.771 -19.165 1.00 0.00 ? 20 THR A HG23 10 ATOM 6125 N N . CYS A 1 21 ? 2.286 9.944 -18.991 1.00 0.00 ? 21 CYS A N 10 ATOM 6126 C CA . CYS A 1 21 ? 2.445 8.969 -17.919 1.00 0.00 ? 21 CYS A CA 10 ATOM 6127 C C . CYS A 1 21 ? 3.338 7.814 -18.364 1.00 0.00 ? 21 CYS A C 10 ATOM 6128 O O . CYS A 1 21 ? 3.889 7.830 -19.464 1.00 0.00 ? 21 CYS A O 10 ATOM 6129 C CB . CYS A 1 21 ? 1.081 8.434 -17.481 1.00 0.00 ? 21 CYS A CB 10 ATOM 6130 S SG . CYS A 1 21 ? -0.181 9.726 -17.238 1.00 0.00 ? 21 CYS A SG 10 ATOM 6131 H H . CYS A 1 21 ? 1.990 9.639 -19.875 1.00 0.00 ? 21 CYS A H 10 ATOM 6132 H HA . CYS A 1 21 ? 2.912 9.468 -17.084 1.00 0.00 ? 21 CYS A HA 10 ATOM 6133 H HB2 . CYS A 1 21 ? 0.711 7.753 -18.233 1.00 0.00 ? 21 CYS A HB2 10 ATOM 6134 H HB3 . CYS A 1 21 ? 1.194 7.904 -16.547 1.00 0.00 ? 21 CYS A HB3 10 ATOM 6135 N N . ASP A 1 22 ? 3.475 6.814 -17.500 1.00 0.00 ? 22 ASP A N 10 ATOM 6136 C CA . ASP A 1 22 ? 4.299 5.650 -17.803 1.00 0.00 ? 22 ASP A CA 10 ATOM 6137 C C . ASP A 1 22 ? 3.841 4.436 -17.001 1.00 0.00 ? 22 ASP A C 10 ATOM 6138 O O . ASP A 1 22 ? 3.200 3.532 -17.536 1.00 0.00 ? 22 ASP A O 10 ATOM 6139 C CB . ASP A 1 22 ? 5.770 5.948 -17.506 1.00 0.00 ? 22 ASP A CB 10 ATOM 6140 C CG . ASP A 1 22 ? 6.597 6.097 -18.768 1.00 0.00 ? 22 ASP A CG 10 ATOM 6141 O OD1 . ASP A 1 22 ? 7.003 5.062 -19.336 1.00 0.00 ? 22 ASP A OD1 10 ATOM 6142 O OD2 . ASP A 1 22 ? 6.839 7.248 -19.187 1.00 0.00 ? 22 ASP A OD2 10 ATOM 6143 H H . ASP A 1 22 ? 3.010 6.860 -16.638 1.00 0.00 ? 22 ASP A H 10 ATOM 6144 H HA . ASP A 1 22 ? 4.191 5.432 -18.855 1.00 0.00 ? 22 ASP A HA 10 ATOM 6145 H HB2 . ASP A 1 22 ? 5.837 6.868 -16.943 1.00 0.00 ? 22 ASP A HB2 10 ATOM 6146 H HB3 . ASP A 1 22 ? 6.182 5.140 -16.919 1.00 0.00 ? 22 ASP A HB3 10 ATOM 6147 N N . TYR A 1 23 ? 4.176 4.423 -15.715 1.00 0.00 ? 23 TYR A N 10 ATOM 6148 C CA . TYR A 1 23 ? 3.802 3.318 -14.840 1.00 0.00 ? 23 TYR A CA 10 ATOM 6149 C C . TYR A 1 23 ? 2.286 3.230 -14.691 1.00 0.00 ? 23 TYR A C 10 ATOM 6150 O O . TYR A 1 23 ? 1.740 2.164 -14.406 1.00 0.00 ? 23 TYR A O 10 ATOM 6151 C CB . TYR A 1 23 ? 4.451 3.487 -13.465 1.00 0.00 ? 23 TYR A CB 10 ATOM 6152 C CG . TYR A 1 23 ? 5.909 3.884 -13.528 1.00 0.00 ? 23 TYR A CG 10 ATOM 6153 C CD1 . TYR A 1 23 ? 6.832 3.103 -14.212 1.00 0.00 ? 23 TYR A CD1 10 ATOM 6154 C CD2 . TYR A 1 23 ? 6.362 5.040 -12.905 1.00 0.00 ? 23 TYR A CD2 10 ATOM 6155 C CE1 . TYR A 1 23 ? 8.165 3.461 -14.272 1.00 0.00 ? 23 TYR A CE1 10 ATOM 6156 C CE2 . TYR A 1 23 ? 7.693 5.406 -12.961 1.00 0.00 ? 23 TYR A CE2 10 ATOM 6157 C CZ . TYR A 1 23 ? 8.591 4.613 -13.645 1.00 0.00 ? 23 TYR A CZ 10 ATOM 6158 O OH . TYR A 1 23 ? 9.917 4.974 -13.704 1.00 0.00 ? 23 TYR A OH 10 ATOM 6159 H H . TYR A 1 23 ? 4.688 5.172 -15.346 1.00 0.00 ? 23 TYR A H 10 ATOM 6160 H HA . TYR A 1 23 ? 4.162 2.404 -15.287 1.00 0.00 ? 23 TYR A HA 10 ATOM 6161 H HB2 . TYR A 1 23 ? 3.924 4.253 -12.917 1.00 0.00 ? 23 TYR A HB2 10 ATOM 6162 H HB3 . TYR A 1 23 ? 4.384 2.554 -12.925 1.00 0.00 ? 23 TYR A HB3 10 ATOM 6163 H HD1 . TYR A 1 23 ? 6.496 2.201 -14.703 1.00 0.00 ? 23 TYR A HD1 10 ATOM 6164 H HD2 . TYR A 1 23 ? 5.657 5.659 -12.370 1.00 0.00 ? 23 TYR A HD2 10 ATOM 6165 H HE1 . TYR A 1 23 ? 8.868 2.840 -14.808 1.00 0.00 ? 23 TYR A HE1 10 ATOM 6166 H HE2 . TYR A 1 23 ? 8.027 6.309 -12.470 1.00 0.00 ? 23 TYR A HE2 10 ATOM 6167 H HH . TYR A 1 23 ? 10.456 4.274 -13.327 1.00 0.00 ? 23 TYR A HH 10 ATOM 6168 N N . MET A 1 24 ? 1.612 4.358 -14.888 1.00 0.00 ? 24 MET A N 10 ATOM 6169 C CA . MET A 1 24 ? 0.159 4.409 -14.778 1.00 0.00 ? 24 MET A CA 10 ATOM 6170 C C . MET A 1 24 ? -0.497 3.523 -15.832 1.00 0.00 ? 24 MET A C 10 ATOM 6171 O O . MET A 1 24 ? -1.442 2.790 -15.540 1.00 0.00 ? 24 MET A O 10 ATOM 6172 C CB . MET A 1 24 ? -0.335 5.849 -14.926 1.00 0.00 ? 24 MET A CB 10 ATOM 6173 C CG . MET A 1 24 ? -0.041 6.720 -13.716 1.00 0.00 ? 24 MET A CG 10 ATOM 6174 S SD . MET A 1 24 ? 1.573 7.519 -13.811 1.00 0.00 ? 24 MET A SD 10 ATOM 6175 C CE . MET A 1 24 ? 2.543 6.448 -12.752 1.00 0.00 ? 24 MET A CE 10 ATOM 6176 H H . MET A 1 24 ? 2.103 5.176 -15.113 1.00 0.00 ? 24 MET A H 10 ATOM 6177 H HA . MET A 1 24 ? -0.112 4.044 -13.799 1.00 0.00 ? 24 MET A HA 10 ATOM 6178 H HB2 . MET A 1 24 ? 0.141 6.294 -15.787 1.00 0.00 ? 24 MET A HB2 10 ATOM 6179 H HB3 . MET A 1 24 ? -1.404 5.837 -15.082 1.00 0.00 ? 24 MET A HB3 10 ATOM 6180 H HG2 . MET A 1 24 ? -0.801 7.485 -13.646 1.00 0.00 ? 24 MET A HG2 10 ATOM 6181 H HG3 . MET A 1 24 ? -0.072 6.103 -12.830 1.00 0.00 ? 24 MET A HG3 10 ATOM 6182 H HE1 . MET A 1 24 ? 2.565 6.856 -11.752 1.00 0.00 ? 24 MET A HE1 10 ATOM 6183 H HE2 . MET A 1 24 ? 2.097 5.464 -12.729 1.00 0.00 ? 24 MET A HE2 10 ATOM 6184 H HE3 . MET A 1 24 ? 3.549 6.379 -13.136 1.00 0.00 ? 24 MET A HE3 10 ATOM 6185 N N . TYR A 1 25 ? 0.009 3.595 -17.058 1.00 0.00 ? 25 TYR A N 10 ATOM 6186 C CA . TYR A 1 25 ? -0.530 2.801 -18.156 1.00 0.00 ? 25 TYR A CA 10 ATOM 6187 C C . TYR A 1 25 ? -0.266 1.315 -17.934 1.00 0.00 ? 25 TYR A C 10 ATOM 6188 O O . TYR A 1 25 ? -0.804 0.465 -18.644 1.00 0.00 ? 25 TYR A O 10 ATOM 6189 C CB . TYR A 1 25 ? 0.084 3.247 -19.484 1.00 0.00 ? 25 TYR A CB 10 ATOM 6190 C CG . TYR A 1 25 ? -0.535 4.507 -20.045 1.00 0.00 ? 25 TYR A CG 10 ATOM 6191 C CD1 . TYR A 1 25 ? -0.566 5.680 -19.301 1.00 0.00 ? 25 TYR A CD1 10 ATOM 6192 C CD2 . TYR A 1 25 ? -1.089 4.525 -21.319 1.00 0.00 ? 25 TYR A CD2 10 ATOM 6193 C CE1 . TYR A 1 25 ? -1.131 6.833 -19.809 1.00 0.00 ? 25 TYR A CE1 10 ATOM 6194 C CE2 . TYR A 1 25 ? -1.655 5.674 -21.836 1.00 0.00 ? 25 TYR A CE2 10 ATOM 6195 C CZ . TYR A 1 25 ? -1.674 6.826 -21.077 1.00 0.00 ? 25 TYR A CZ 10 ATOM 6196 O OH . TYR A 1 25 ? -2.237 7.973 -21.587 1.00 0.00 ? 25 TYR A OH 10 ATOM 6197 H H . TYR A 1 25 ? 0.763 4.198 -17.229 1.00 0.00 ? 25 TYR A H 10 ATOM 6198 H HA . TYR A 1 25 ? -1.597 2.965 -18.191 1.00 0.00 ? 25 TYR A HA 10 ATOM 6199 H HB2 . TYR A 1 25 ? 1.138 3.431 -19.342 1.00 0.00 ? 25 TYR A HB2 10 ATOM 6200 H HB3 . TYR A 1 25 ? -0.045 2.461 -20.214 1.00 0.00 ? 25 TYR A HB3 10 ATOM 6201 H HD1 . TYR A 1 25 ? -0.140 5.683 -18.308 1.00 0.00 ? 25 TYR A HD1 10 ATOM 6202 H HD2 . TYR A 1 25 ? -1.072 3.621 -21.912 1.00 0.00 ? 25 TYR A HD2 10 ATOM 6203 H HE1 . TYR A 1 25 ? -1.147 7.735 -19.215 1.00 0.00 ? 25 TYR A HE1 10 ATOM 6204 H HE2 . TYR A 1 25 ? -2.080 5.669 -22.829 1.00 0.00 ? 25 TYR A HE2 10 ATOM 6205 H HH . TYR A 1 25 ? -1.936 8.103 -22.490 1.00 0.00 ? 25 TYR A HH 10 ATOM 6206 N N . SER A 1 26 ? 0.565 1.010 -16.943 1.00 0.00 ? 26 SER A N 10 ATOM 6207 C CA . SER A 1 26 ? 0.903 -0.373 -16.628 1.00 0.00 ? 26 SER A CA 10 ATOM 6208 C C . SER A 1 26 ? -0.126 -0.982 -15.681 1.00 0.00 ? 26 SER A C 10 ATOM 6209 O O . SER A 1 26 ? 0.193 -1.864 -14.882 1.00 0.00 ? 26 SER A O 10 ATOM 6210 C CB . SER A 1 26 ? 2.297 -0.450 -16.001 1.00 0.00 ? 26 SER A CB 10 ATOM 6211 O OG . SER A 1 26 ? 2.825 -1.762 -16.091 1.00 0.00 ? 26 SER A OG 10 ATOM 6212 H H . SER A 1 26 ? 0.962 1.732 -16.412 1.00 0.00 ? 26 SER A H 10 ATOM 6213 H HA . SER A 1 26 ? 0.902 -0.934 -17.551 1.00 0.00 ? 26 SER A HA 10 ATOM 6214 H HB2 . SER A 1 26 ? 2.959 0.228 -16.519 1.00 0.00 ? 26 SER A HB2 10 ATOM 6215 H HB3 . SER A 1 26 ? 2.236 -0.169 -14.960 1.00 0.00 ? 26 SER A HB3 10 ATOM 6216 H HG . SER A 1 26 ? 2.473 -2.298 -15.377 1.00 0.00 ? 26 SER A HG 10 ATOM 6217 N N . HIS A 1 27 ? -1.363 -0.506 -15.776 1.00 0.00 ? 27 HIS A N 10 ATOM 6218 C CA . HIS A 1 27 ? -2.442 -1.003 -14.929 1.00 0.00 ? 27 HIS A CA 10 ATOM 6219 C C . HIS A 1 27 ? -2.070 -0.887 -13.453 1.00 0.00 ? 27 HIS A C 10 ATOM 6220 O O . HIS A 1 27 ? -2.148 -1.861 -12.704 1.00 0.00 ? 27 HIS A O 10 ATOM 6221 C CB . HIS A 1 27 ? -2.760 -2.458 -15.273 1.00 0.00 ? 27 HIS A CB 10 ATOM 6222 C CG . HIS A 1 27 ? -3.704 -2.607 -16.427 1.00 0.00 ? 27 HIS A CG 10 ATOM 6223 N ND1 . HIS A 1 27 ? -5.027 -2.222 -16.372 1.00 0.00 ? 27 HIS A ND1 10 ATOM 6224 C CD2 . HIS A 1 27 ? -3.509 -3.102 -17.672 1.00 0.00 ? 27 HIS A CD2 10 ATOM 6225 C CE1 . HIS A 1 27 ? -5.605 -2.475 -17.532 1.00 0.00 ? 27 HIS A CE1 10 ATOM 6226 N NE2 . HIS A 1 27 ? -4.706 -3.009 -18.338 1.00 0.00 ? 27 HIS A NE2 10 ATOM 6227 H H . HIS A 1 27 ? -1.556 0.196 -16.432 1.00 0.00 ? 27 HIS A H 10 ATOM 6228 H HA . HIS A 1 27 ? -3.316 -0.398 -15.115 1.00 0.00 ? 27 HIS A HA 10 ATOM 6229 H HB2 . HIS A 1 27 ? -1.844 -2.970 -15.527 1.00 0.00 ? 27 HIS A HB2 10 ATOM 6230 H HB3 . HIS A 1 27 ? -3.207 -2.936 -14.414 1.00 0.00 ? 27 HIS A HB3 10 ATOM 6231 H HD1 . HIS A 1 27 ? -5.475 -1.824 -15.597 1.00 0.00 ? 27 HIS A HD1 10 ATOM 6232 H HD2 . HIS A 1 27 ? -2.585 -3.498 -18.068 1.00 0.00 ? 27 HIS A HD2 10 ATOM 6233 H HE1 . HIS A 1 27 ? -6.638 -2.278 -17.780 1.00 0.00 ? 27 HIS A HE1 10 ATOM 6234 N N . CYS A 1 28 ? -1.666 0.310 -13.042 1.00 0.00 ? 28 CYS A N 10 ATOM 6235 C CA . CYS A 1 28 ? -1.282 0.554 -11.657 1.00 0.00 ? 28 CYS A CA 10 ATOM 6236 C C . CYS A 1 28 ? -2.216 1.569 -11.004 1.00 0.00 ? 28 CYS A C 10 ATOM 6237 O O . CYS A 1 28 ? -2.278 1.673 -9.779 1.00 0.00 ? 28 CYS A O 10 ATOM 6238 C CB . CYS A 1 28 ? 0.162 1.055 -11.587 1.00 0.00 ? 28 CYS A CB 10 ATOM 6239 S SG . CYS A 1 28 ? 1.088 0.455 -10.138 1.00 0.00 ? 28 CYS A SG 10 ATOM 6240 H H . CYS A 1 28 ? -1.625 1.049 -13.686 1.00 0.00 ? 28 CYS A H 10 ATOM 6241 H HA . CYS A 1 28 ? -1.356 -0.380 -11.122 1.00 0.00 ? 28 CYS A HA 10 ATOM 6242 H HB2 . CYS A 1 28 ? 0.691 0.729 -12.472 1.00 0.00 ? 28 CYS A HB2 10 ATOM 6243 H HB3 . CYS A 1 28 ? 0.160 2.134 -11.553 1.00 0.00 ? 28 CYS A HB3 10 ATOM 6244 N N . PHE A 1 29 ? -2.940 2.316 -11.831 1.00 0.00 ? 29 PHE A N 10 ATOM 6245 C CA . PHE A 1 29 ? -3.870 3.323 -11.335 1.00 0.00 ? 29 PHE A CA 10 ATOM 6246 C C . PHE A 1 29 ? -5.300 2.997 -11.755 1.00 0.00 ? 29 PHE A C 10 ATOM 6247 O O . PHE A 1 29 ? -6.259 3.401 -11.099 1.00 0.00 ? 29 PHE A O 10 ATOM 6248 C CB . PHE A 1 29 ? -3.478 4.709 -11.852 1.00 0.00 ? 29 PHE A CB 10 ATOM 6249 C CG . PHE A 1 29 ? -2.334 5.328 -11.100 1.00 0.00 ? 29 PHE A CG 10 ATOM 6250 C CD1 . PHE A 1 29 ? -1.121 4.666 -10.991 1.00 0.00 ? 29 PHE A CD1 10 ATOM 6251 C CD2 . PHE A 1 29 ? -2.471 6.571 -10.504 1.00 0.00 ? 29 PHE A CD2 10 ATOM 6252 C CE1 . PHE A 1 29 ? -0.066 5.232 -10.300 1.00 0.00 ? 29 PHE A CE1 10 ATOM 6253 C CE2 . PHE A 1 29 ? -1.419 7.142 -9.812 1.00 0.00 ? 29 PHE A CE2 10 ATOM 6254 C CZ . PHE A 1 29 ? -0.216 6.472 -9.710 1.00 0.00 ? 29 PHE A CZ 10 ATOM 6255 H H . PHE A 1 29 ? -2.846 2.187 -12.798 1.00 0.00 ? 29 PHE A H 10 ATOM 6256 H HA . PHE A 1 29 ? -3.815 3.322 -10.257 1.00 0.00 ? 29 PHE A HA 10 ATOM 6257 H HB2 . PHE A 1 29 ? -3.189 4.630 -12.889 1.00 0.00 ? 29 PHE A HB2 10 ATOM 6258 H HB3 . PHE A 1 29 ? -4.327 5.370 -11.768 1.00 0.00 ? 29 PHE A HB3 10 ATOM 6259 H HD1 . PHE A 1 29 ? -1.003 3.696 -11.452 1.00 0.00 ? 29 PHE A HD1 10 ATOM 6260 H HD2 . PHE A 1 29 ? -3.411 7.096 -10.582 1.00 0.00 ? 29 PHE A HD2 10 ATOM 6261 H HE1 . PHE A 1 29 ? 0.873 4.705 -10.222 1.00 0.00 ? 29 PHE A HE1 10 ATOM 6262 H HE2 . PHE A 1 29 ? -1.539 8.111 -9.351 1.00 0.00 ? 29 PHE A HE2 10 ATOM 6263 H HZ . PHE A 1 29 ? 0.607 6.916 -9.170 1.00 0.00 ? 29 PHE A HZ 10 ATOM 6264 N N . GLY A 1 30 ? -5.435 2.263 -12.856 1.00 0.00 ? 30 GLY A N 10 ATOM 6265 C CA . GLY A 1 30 ? -6.750 1.896 -13.346 1.00 0.00 ? 30 GLY A CA 10 ATOM 6266 C C . GLY A 1 30 ? -7.363 2.970 -14.222 1.00 0.00 ? 30 GLY A C 10 ATOM 6267 O O . GLY A 1 30 ? -8.583 3.134 -14.254 1.00 0.00 ? 30 GLY A O 10 ATOM 6268 H H . GLY A 1 30 ? -4.634 1.969 -13.338 1.00 0.00 ? 30 GLY A H 10 ATOM 6269 H HA2 . GLY A 1 30 ? -6.667 0.983 -13.918 1.00 0.00 ? 30 GLY A HA2 10 ATOM 6270 H HA3 . GLY A 1 30 ? -7.401 1.722 -12.502 1.00 0.00 ? 30 GLY A HA3 10 ATOM 6271 N N . VAL A 1 31 ? -6.516 3.705 -14.936 1.00 0.00 ? 31 VAL A N 10 ATOM 6272 C CA . VAL A 1 31 ? -6.981 4.770 -15.816 1.00 0.00 ? 31 VAL A CA 10 ATOM 6273 C C . VAL A 1 31 ? -6.971 4.321 -17.273 1.00 0.00 ? 31 VAL A C 10 ATOM 6274 O O . VAL A 1 31 ? -7.811 4.741 -18.070 1.00 0.00 ? 31 VAL A O 10 ATOM 6275 C CB . VAL A 1 31 ? -6.114 6.035 -15.674 1.00 0.00 ? 31 VAL A CB 10 ATOM 6276 C CG1 . VAL A 1 31 ? -6.189 6.576 -14.254 1.00 0.00 ? 31 VAL A CG1 10 ATOM 6277 C CG2 . VAL A 1 31 ? -4.674 5.741 -16.066 1.00 0.00 ? 31 VAL A CG2 10 ATOM 6278 H H . VAL A 1 31 ? -5.555 3.526 -14.868 1.00 0.00 ? 31 VAL A H 10 ATOM 6279 H HA . VAL A 1 31 ? -7.994 5.018 -15.533 1.00 0.00 ? 31 VAL A HA 10 ATOM 6280 H HB . VAL A 1 31 ? -6.501 6.789 -16.343 1.00 0.00 ? 31 VAL A HB 10 ATOM 6281 H HG11 . VAL A 1 31 ? -5.207 6.545 -13.805 1.00 0.00 ? 31 VAL A HG11 10 ATOM 6282 H HG12 . VAL A 1 31 ? -6.545 7.596 -14.276 1.00 0.00 ? 31 VAL A HG12 10 ATOM 6283 H HG13 . VAL A 1 31 ? -6.868 5.970 -13.673 1.00 0.00 ? 31 VAL A HG13 10 ATOM 6284 H HG21 . VAL A 1 31 ? -4.005 6.225 -15.370 1.00 0.00 ? 31 VAL A HG21 10 ATOM 6285 H HG22 . VAL A 1 31 ? -4.507 4.674 -16.044 1.00 0.00 ? 31 VAL A HG22 10 ATOM 6286 H HG23 . VAL A 1 31 ? -4.489 6.114 -17.063 1.00 0.00 ? 31 VAL A HG23 10 ATOM 6287 N N . LYS A 1 32 ? -6.014 3.466 -17.617 1.00 0.00 ? 32 LYS A N 10 ATOM 6288 C CA . LYS A 1 32 ? -5.894 2.957 -18.978 1.00 0.00 ? 32 LYS A CA 10 ATOM 6289 C C . LYS A 1 32 ? -7.225 2.398 -19.469 1.00 0.00 ? 32 LYS A C 10 ATOM 6290 O O . LYS A 1 32 ? -7.964 1.769 -18.711 1.00 0.00 ? 32 LYS A O 10 ATOM 6291 C CB . LYS A 1 32 ? -4.817 1.873 -19.046 1.00 0.00 ? 32 LYS A CB 10 ATOM 6292 C CG . LYS A 1 32 ? -4.812 1.101 -20.354 1.00 0.00 ? 32 LYS A CG 10 ATOM 6293 C CD . LYS A 1 32 ? -3.461 0.458 -20.618 1.00 0.00 ? 32 LYS A CD 10 ATOM 6294 C CE . LYS A 1 32 ? -2.479 1.450 -21.221 1.00 0.00 ? 32 LYS A CE 10 ATOM 6295 N NZ . LYS A 1 32 ? -1.470 0.777 -22.085 1.00 0.00 ? 32 LYS A NZ 10 ATOM 6296 H H . LYS A 1 32 ? -5.373 3.167 -16.937 1.00 0.00 ? 32 LYS A H 10 ATOM 6297 H HA . LYS A 1 32 ? -5.606 3.780 -19.615 1.00 0.00 ? 32 LYS A HA 10 ATOM 6298 H HB2 . LYS A 1 32 ? -3.849 2.335 -18.922 1.00 0.00 ? 32 LYS A HB2 10 ATOM 6299 H HB3 . LYS A 1 32 ? -4.977 1.172 -18.240 1.00 0.00 ? 32 LYS A HB3 10 ATOM 6300 H HG2 . LYS A 1 32 ? -5.564 0.328 -20.308 1.00 0.00 ? 32 LYS A HG2 10 ATOM 6301 H HG3 . LYS A 1 32 ? -5.041 1.781 -21.163 1.00 0.00 ? 32 LYS A HG3 10 ATOM 6302 H HD2 . LYS A 1 32 ? -3.058 0.092 -19.685 1.00 0.00 ? 32 LYS A HD2 10 ATOM 6303 H HD3 . LYS A 1 32 ? -3.593 -0.367 -21.304 1.00 0.00 ? 32 LYS A HD3 10 ATOM 6304 H HE2 . LYS A 1 32 ? -3.029 2.165 -21.814 1.00 0.00 ? 32 LYS A HE2 10 ATOM 6305 H HE3 . LYS A 1 32 ? -1.969 1.964 -20.419 1.00 0.00 ? 32 LYS A HE3 10 ATOM 6306 H HZ1 . LYS A 1 32 ? -1.758 -0.204 -22.273 1.00 0.00 ? 32 LYS A HZ1 10 ATOM 6307 H HZ2 . LYS A 1 32 ? -0.543 0.771 -21.612 1.00 0.00 ? 32 LYS A HZ2 10 ATOM 6308 H HZ3 . LYS A 1 32 ? -1.381 1.281 -22.990 1.00 0.00 ? 32 LYS A HZ3 10 ATOM 6309 N N . HIS A 1 33 ? -7.525 2.630 -20.744 1.00 0.00 ? 33 HIS A N 10 ATOM 6310 C CA . HIS A 1 33 ? -8.767 2.146 -21.337 1.00 0.00 ? 33 HIS A CA 10 ATOM 6311 C C . HIS A 1 33 ? -8.497 0.995 -22.301 1.00 0.00 ? 33 HIS A C 10 ATOM 6312 O O . HIS A 1 33 ? -9.363 0.151 -22.533 1.00 0.00 ? 33 HIS A O 10 ATOM 6313 C CB . HIS A 1 33 ? -9.483 3.282 -22.068 1.00 0.00 ? 33 HIS A CB 10 ATOM 6314 C CG . HIS A 1 33 ? -8.585 4.077 -22.965 1.00 0.00 ? 33 HIS A CG 10 ATOM 6315 N ND1 . HIS A 1 33 ? -7.857 5.164 -22.529 1.00 0.00 ? 33 HIS A ND1 10 ATOM 6316 C CD2 . HIS A 1 33 ? -8.298 3.937 -24.280 1.00 0.00 ? 33 HIS A CD2 10 ATOM 6317 C CE1 . HIS A 1 33 ? -7.162 5.659 -23.537 1.00 0.00 ? 33 HIS A CE1 10 ATOM 6318 N NE2 . HIS A 1 33 ? -7.412 4.933 -24.612 1.00 0.00 ? 33 HIS A NE2 10 ATOM 6319 H H . HIS A 1 33 ? -6.896 3.137 -21.298 1.00 0.00 ? 33 HIS A H 10 ATOM 6320 H HA . HIS A 1 33 ? -9.399 1.789 -20.538 1.00 0.00 ? 33 HIS A HA 10 ATOM 6321 H HB2 . HIS A 1 33 ? -10.275 2.868 -22.675 1.00 0.00 ? 33 HIS A HB2 10 ATOM 6322 H HB3 . HIS A 1 33 ? -9.910 3.958 -21.341 1.00 0.00 ? 33 HIS A HB3 10 ATOM 6323 H HD1 . HIS A 1 33 ? -7.851 5.520 -21.616 1.00 0.00 ? 33 HIS A HD1 10 ATOM 6324 H HD2 . HIS A 1 33 ? -8.693 3.183 -24.947 1.00 0.00 ? 33 HIS A HD2 10 ATOM 6325 H HE1 . HIS A 1 33 ? -6.502 6.512 -23.492 1.00 0.00 ? 33 HIS A HE1 10 ATOM 6326 N N . SER A 1 34 ? -7.291 0.968 -22.859 1.00 0.00 ? 34 SER A N 10 ATOM 6327 C CA . SER A 1 34 ? -6.909 -0.077 -23.801 1.00 0.00 ? 34 SER A CA 10 ATOM 6328 C C . SER A 1 34 ? -7.147 -1.461 -23.204 1.00 0.00 ? 34 SER A C 10 ATOM 6329 O O . SER A 1 34 ? -7.293 -1.609 -21.991 1.00 0.00 ? 34 SER A O 10 ATOM 6330 C CB . SER A 1 34 ? -5.438 0.074 -24.195 1.00 0.00 ? 34 SER A CB 10 ATOM 6331 O OG . SER A 1 34 ? -5.149 -0.651 -25.377 1.00 0.00 ? 34 SER A OG 10 ATOM 6332 H H . SER A 1 34 ? -6.644 1.669 -22.633 1.00 0.00 ? 34 SER A H 10 ATOM 6333 H HA . SER A 1 34 ? -7.522 0.031 -24.684 1.00 0.00 ? 34 SER A HA 10 ATOM 6334 H HB2 . SER A 1 34 ? -5.219 1.117 -24.364 1.00 0.00 ? 34 SER A HB2 10 ATOM 6335 H HB3 . SER A 1 34 ? -4.814 -0.299 -23.395 1.00 0.00 ? 34 SER A HB3 10 ATOM 6336 H HG . SER A 1 34 ? -4.264 -0.433 -25.678 1.00 0.00 ? 34 SER A HG 10 ATOM 6337 N N . SER A 1 35 ? -7.186 -2.472 -24.066 1.00 0.00 ? 35 SER A N 10 ATOM 6338 C CA . SER A 1 35 ? -7.410 -3.844 -23.626 1.00 0.00 ? 35 SER A CA 10 ATOM 6339 C C . SER A 1 35 ? -6.100 -4.499 -23.199 1.00 0.00 ? 35 SER A C 10 ATOM 6340 O O . SER A 1 35 ? -5.016 -4.016 -23.526 1.00 0.00 ? 35 SER A O 10 ATOM 6341 C CB . SER A 1 35 ? -8.061 -4.661 -24.744 1.00 0.00 ? 35 SER A CB 10 ATOM 6342 O OG . SER A 1 35 ? -8.825 -5.731 -24.215 1.00 0.00 ? 35 SER A OG 10 ATOM 6343 H H . SER A 1 35 ? -7.062 -2.290 -25.022 1.00 0.00 ? 35 SER A H 10 ATOM 6344 H HA . SER A 1 35 ? -8.077 -3.815 -22.778 1.00 0.00 ? 35 SER A HA 10 ATOM 6345 H HB2 . SER A 1 35 ? -8.710 -4.022 -25.322 1.00 0.00 ? 35 SER A HB2 10 ATOM 6346 H HB3 . SER A 1 35 ? -7.291 -5.066 -25.385 1.00 0.00 ? 35 SER A HB3 10 ATOM 6347 H HG . SER A 1 35 ? -9.757 -5.572 -24.383 1.00 0.00 ? 35 SER A HG 10 ATOM 6348 N N . GLY A 1 36 ? -6.208 -5.602 -22.465 1.00 0.00 ? 36 GLY A N 10 ATOM 6349 C CA . GLY A 1 36 ? -5.026 -6.306 -22.004 1.00 0.00 ? 36 GLY A CA 10 ATOM 6350 C C . GLY A 1 36 ? -5.298 -7.769 -21.715 1.00 0.00 ? 36 GLY A C 10 ATOM 6351 O O . GLY A 1 36 ? -5.630 -8.536 -22.618 1.00 0.00 ? 36 GLY A O 10 ATOM 6352 H H . GLY A 1 36 ? -7.099 -5.941 -22.235 1.00 0.00 ? 36 GLY A H 10 ATOM 6353 H HA2 . GLY A 1 36 ? -4.260 -6.235 -22.762 1.00 0.00 ? 36 GLY A HA2 10 ATOM 6354 H HA3 . GLY A 1 36 ? -4.669 -5.833 -21.101 1.00 0.00 ? 36 GLY A HA3 10 ATOM 6355 N N . GLY A 1 37 ? -5.154 -8.158 -20.452 1.00 0.00 ? 37 GLY A N 10 ATOM 6356 C CA . GLY A 1 37 ? -5.388 -9.538 -20.070 1.00 0.00 ? 37 GLY A CA 10 ATOM 6357 C C . GLY A 1 37 ? -4.257 -10.110 -19.238 1.00 0.00 ? 37 GLY A C 10 ATOM 6358 O O . GLY A 1 37 ? -3.147 -9.581 -19.241 1.00 0.00 ? 37 GLY A O 10 ATOM 6359 H H . GLY A 1 37 ? -4.887 -7.503 -19.774 1.00 0.00 ? 37 GLY A H 10 ATOM 6360 H HA2 . GLY A 1 37 ? -6.304 -9.592 -19.499 1.00 0.00 ? 37 GLY A HA2 10 ATOM 6361 H HA3 . GLY A 1 37 ? -5.498 -10.134 -20.964 1.00 0.00 ? 37 GLY A HA3 10 ATOM 6362 N N . GLY A 1 38 ? -4.540 -11.193 -18.522 1.00 0.00 ? 38 GLY A N 10 ATOM 6363 C CA . GLY A 1 38 ? -3.528 -11.818 -17.690 1.00 0.00 ? 38 GLY A CA 10 ATOM 6364 C C . GLY A 1 38 ? -4.119 -12.498 -16.471 1.00 0.00 ? 38 GLY A C 10 ATOM 6365 O O . GLY A 1 38 ? -5.303 -12.829 -16.449 1.00 0.00 ? 38 GLY A O 10 ATOM 6366 H H . GLY A 1 38 ? -5.444 -11.572 -18.558 1.00 0.00 ? 38 GLY A H 10 ATOM 6367 H HA2 . GLY A 1 38 ? -2.997 -12.552 -18.277 1.00 0.00 ? 38 GLY A HA2 10 ATOM 6368 H HA3 . GLY A 1 38 ? -2.831 -11.061 -17.362 1.00 0.00 ? 38 GLY A HA3 10 ATOM 6369 N N . GLY A 1 39 ? -3.289 -12.710 -15.453 1.00 0.00 ? 39 GLY A N 10 ATOM 6370 C CA . GLY A 1 39 ? -3.754 -13.357 -14.240 1.00 0.00 ? 39 GLY A CA 10 ATOM 6371 C C . GLY A 1 39 ? -3.359 -12.596 -12.990 1.00 0.00 ? 39 GLY A C 10 ATOM 6372 O O . GLY A 1 39 ? -2.970 -11.431 -13.061 1.00 0.00 ? 39 GLY A O 10 ATOM 6373 H H . GLY A 1 39 ? -2.355 -12.425 -15.527 1.00 0.00 ? 39 GLY A H 10 ATOM 6374 H HA2 . GLY A 1 39 ? -4.831 -13.435 -14.276 1.00 0.00 ? 39 GLY A HA2 10 ATOM 6375 H HA3 . GLY A 1 39 ? -3.333 -14.350 -14.191 1.00 0.00 ? 39 GLY A HA3 10 ATOM 6376 N N . SER A 1 40 ? -3.460 -13.256 -11.840 1.00 0.00 ? 40 SER A N 10 ATOM 6377 C CA . SER A 1 40 ? -3.115 -12.633 -10.568 1.00 0.00 ? 40 SER A CA 10 ATOM 6378 C C . SER A 1 40 ? -2.040 -13.438 -9.843 1.00 0.00 ? 40 SER A C 10 ATOM 6379 O O . SER A 1 40 ? -1.842 -14.621 -10.120 1.00 0.00 ? 40 SER A O 10 ATOM 6380 C CB . SER A 1 40 ? -4.357 -12.507 -9.684 1.00 0.00 ? 40 SER A CB 10 ATOM 6381 O OG . SER A 1 40 ? -4.716 -13.759 -9.127 1.00 0.00 ? 40 SER A OG 10 ATOM 6382 H H . SER A 1 40 ? -3.776 -14.184 -11.849 1.00 0.00 ? 40 SER A H 10 ATOM 6383 H HA . SER A 1 40 ? -2.729 -11.646 -10.776 1.00 0.00 ? 40 SER A HA 10 ATOM 6384 H HB2 . SER A 1 40 ? -4.156 -11.814 -8.882 1.00 0.00 ? 40 SER A HB2 10 ATOM 6385 H HB3 . SER A 1 40 ? -5.182 -12.141 -10.278 1.00 0.00 ? 40 SER A HB3 10 ATOM 6386 H HG . SER A 1 40 ? -5.292 -13.621 -8.372 1.00 0.00 ? 40 SER A HG 10 ATOM 6387 N N . TYR A 1 41 ? -1.350 -12.787 -8.913 1.00 0.00 ? 41 TYR A N 10 ATOM 6388 C CA . TYR A 1 41 ? -0.294 -13.440 -8.148 1.00 0.00 ? 41 TYR A CA 10 ATOM 6389 C C . TYR A 1 41 ? -0.576 -13.361 -6.651 1.00 0.00 ? 41 TYR A C 10 ATOM 6390 O O . TYR A 1 41 ? -1.363 -12.528 -6.199 1.00 0.00 ? 41 TYR A O 10 ATOM 6391 C CB . TYR A 1 41 ? 1.060 -12.799 -8.458 1.00 0.00 ? 41 TYR A CB 10 ATOM 6392 C CG . TYR A 1 41 ? 2.225 -13.755 -8.338 1.00 0.00 ? 41 TYR A CG 10 ATOM 6393 C CD1 . TYR A 1 41 ? 2.647 -14.507 -9.428 1.00 0.00 ? 41 TYR A CD1 10 ATOM 6394 C CD2 . TYR A 1 41 ? 2.904 -13.906 -7.135 1.00 0.00 ? 41 TYR A CD2 10 ATOM 6395 C CE1 . TYR A 1 41 ? 3.710 -15.382 -9.323 1.00 0.00 ? 41 TYR A CE1 10 ATOM 6396 C CE2 . TYR A 1 41 ? 3.970 -14.778 -7.022 1.00 0.00 ? 41 TYR A CE2 10 ATOM 6397 C CZ . TYR A 1 41 ? 4.368 -15.514 -8.118 1.00 0.00 ? 41 TYR A CZ 10 ATOM 6398 O OH . TYR A 1 41 ? 5.429 -16.384 -8.009 1.00 0.00 ? 41 TYR A OH 10 ATOM 6399 H H . TYR A 1 41 ? -1.554 -11.845 -8.737 1.00 0.00 ? 41 TYR A H 10 ATOM 6400 H HA . TYR A 1 41 ? -0.264 -14.479 -8.443 1.00 0.00 ? 41 TYR A HA 10 ATOM 6401 H HB2 . TYR A 1 41 ? 1.047 -12.417 -9.467 1.00 0.00 ? 41 TYR A HB2 10 ATOM 6402 H HB3 . TYR A 1 41 ? 1.229 -11.982 -7.771 1.00 0.00 ? 41 TYR A HB3 10 ATOM 6403 H HD1 . TYR A 1 41 ? 2.129 -14.401 -10.370 1.00 0.00 ? 41 TYR A HD1 10 ATOM 6404 H HD2 . TYR A 1 41 ? 2.590 -13.328 -6.279 1.00 0.00 ? 41 TYR A HD2 10 ATOM 6405 H HE1 . TYR A 1 41 ? 4.023 -15.958 -10.181 1.00 0.00 ? 41 TYR A HE1 10 ATOM 6406 H HE2 . TYR A 1 41 ? 4.486 -14.882 -6.078 1.00 0.00 ? 41 TYR A HE2 10 ATOM 6407 H HH . TYR A 1 41 ? 6.111 -16.137 -8.638 1.00 0.00 ? 41 TYR A HH 10 ATOM 6408 N N . HIS A 1 42 ? 0.071 -14.235 -5.886 1.00 0.00 ? 42 HIS A N 10 ATOM 6409 C CA . HIS A 1 42 ? -0.108 -14.264 -4.439 1.00 0.00 ? 42 HIS A CA 10 ATOM 6410 C C . HIS A 1 42 ? 0.967 -13.438 -3.741 1.00 0.00 ? 42 HIS A C 10 ATOM 6411 O O . HIS A 1 42 ? 1.478 -13.826 -2.690 1.00 0.00 ? 42 HIS A O 10 ATOM 6412 C CB . HIS A 1 42 ? -0.072 -15.705 -3.929 1.00 0.00 ? 42 HIS A CB 10 ATOM 6413 C CG . HIS A 1 42 ? -1.340 -16.462 -4.181 1.00 0.00 ? 42 HIS A CG 10 ATOM 6414 N ND1 . HIS A 1 42 ? -1.369 -17.705 -4.776 1.00 0.00 ? 42 HIS A ND1 10 ATOM 6415 C CD2 . HIS A 1 42 ? -2.629 -16.145 -3.912 1.00 0.00 ? 42 HIS A CD2 10 ATOM 6416 C CE1 . HIS A 1 42 ? -2.620 -18.119 -4.865 1.00 0.00 ? 42 HIS A CE1 10 ATOM 6417 N NE2 . HIS A 1 42 ? -3.404 -17.191 -4.347 1.00 0.00 ? 42 HIS A NE2 10 ATOM 6418 H H . HIS A 1 42 ? 0.684 -14.874 -6.305 1.00 0.00 ? 42 HIS A H 10 ATOM 6419 H HA . HIS A 1 42 ? -1.074 -13.837 -4.216 1.00 0.00 ? 42 HIS A HA 10 ATOM 6420 H HB2 . HIS A 1 42 ? 0.732 -16.234 -4.420 1.00 0.00 ? 42 HIS A HB2 10 ATOM 6421 H HB3 . HIS A 1 42 ? 0.105 -15.699 -2.863 1.00 0.00 ? 42 HIS A HB3 10 ATOM 6422 H HD1 . HIS A 1 42 ? -0.589 -18.208 -5.089 1.00 0.00 ? 42 HIS A HD1 10 ATOM 6423 H HD2 . HIS A 1 42 ? -2.982 -15.237 -3.444 1.00 0.00 ? 42 HIS A HD2 10 ATOM 6424 H HE1 . HIS A 1 42 ? -2.948 -19.057 -5.287 1.00 0.00 ? 42 HIS A HE1 10 ATOM 6425 N N . CYS A 1 43 ? 1.308 -12.298 -4.333 1.00 0.00 ? 43 CYS A N 10 ATOM 6426 C CA . CYS A 1 43 ? 2.324 -11.417 -3.770 1.00 0.00 ? 43 CYS A CA 10 ATOM 6427 C C . CYS A 1 43 ? 1.741 -10.040 -3.464 1.00 0.00 ? 43 CYS A C 10 ATOM 6428 O O . CYS A 1 43 ? 2.197 -9.387 -2.527 1.00 0.00 ? 43 CYS A O 10 ATOM 6429 C CB . CYS A 1 43 ? 3.503 -11.281 -4.735 1.00 0.00 ? 43 CYS A CB 10 ATOM 6430 S SG . CYS A 1 43 ? 4.799 -12.540 -4.507 1.00 0.00 ? 43 CYS A SG 10 ATOM 6431 H H . CYS A 1 43 ? 0.865 -12.042 -5.170 1.00 0.00 ? 43 CYS A H 10 ATOM 6432 H HA . CYS A 1 43 ? 2.673 -11.859 -2.849 1.00 0.00 ? 43 CYS A HA 10 ATOM 6433 H HB2 . CYS A 1 43 ? 3.140 -11.365 -5.749 1.00 0.00 ? 43 CYS A HB2 10 ATOM 6434 H HB3 . CYS A 1 43 ? 3.958 -10.311 -4.600 1.00 0.00 ? 43 CYS A HB3 10 HETATM 6435 C C1 . NAG B 2 . ? 6.417 18.947 -20.474 1.00 0.00 ? 101 NAG A C1 10 HETATM 6436 C C2 . NAG B 2 . ? 6.793 19.958 -19.390 1.00 0.00 ? 101 NAG A C2 10 HETATM 6437 C C3 . NAG B 2 . ? 7.329 21.230 -20.054 1.00 0.00 ? 101 NAG A C3 10 HETATM 6438 C C4 . NAG B 2 . ? 8.463 20.843 -21.010 1.00 0.00 ? 101 NAG A C4 10 HETATM 6439 C C5 . NAG B 2 . ? 7.961 19.764 -21.971 1.00 0.00 ? 101 NAG A C5 10 HETATM 6440 C C6 . NAG B 2 . ? 9.079 19.395 -22.949 1.00 0.00 ? 101 NAG A C6 10 HETATM 6441 C C7 . NAG B 2 . ? 5.316 19.563 -17.493 1.00 0.00 ? 101 NAG A C7 10 HETATM 6442 C C8 . NAG B 2 . ? 4.098 19.899 -16.672 1.00 0.00 ? 101 NAG A C8 10 HETATM 6443 N N2 . NAG B 2 . ? 5.609 20.285 -18.592 1.00 0.00 ? 101 NAG A N2 10 HETATM 6444 O O3 . NAG B 2 . ? 7.826 22.127 -19.060 1.00 0.00 ? 101 NAG A O3 10 HETATM 6445 O O4 . NAG B 2 . ? 8.879 21.989 -21.753 1.00 0.00 ? 101 NAG A O4 10 HETATM 6446 O O5 . NAG B 2 . ? 7.571 18.606 -21.237 1.00 0.00 ? 101 NAG A O5 10 HETATM 6447 O O6 . NAG B 2 . ? 8.610 18.392 -23.852 1.00 0.00 ? 101 NAG A O6 10 HETATM 6448 O O7 . NAG B 2 . ? 6.033 18.642 -17.164 1.00 0.00 ? 101 NAG A O7 10 HETATM 6449 H H1 . NAG B 2 . ? 5.661 19.391 -21.138 1.00 0.00 ? 101 NAG A H1 10 HETATM 6450 H H2 . NAG B 2 . ? 7.564 19.528 -18.734 1.00 0.00 ? 101 NAG A H2 10 HETATM 6451 H H3 . NAG B 2 . ? 6.521 21.728 -20.610 1.00 0.00 ? 101 NAG A H3 10 HETATM 6452 H H4 . NAG B 2 . ? 9.317 20.459 -20.432 1.00 0.00 ? 101 NAG A H4 10 HETATM 6453 H H5 . NAG B 2 . ? 7.094 20.149 -22.529 1.00 0.00 ? 101 NAG A H5 10 HETATM 6454 H H61 . NAG B 2 . ? 9.401 20.287 -23.509 1.00 0.00 ? 101 NAG A H61 10 HETATM 6455 H H62 . NAG B 2 . ? 9.957 19.027 -22.397 1.00 0.00 ? 101 NAG A H62 10 HETATM 6456 H H81 . NAG B 2 . ? 4.160 20.944 -16.334 1.00 0.00 ? 101 NAG A H81 10 HETATM 6457 H H82 . NAG B 2 . ? 3.194 19.766 -17.284 1.00 0.00 ? 101 NAG A H82 10 HETATM 6458 H H83 . NAG B 2 . ? 4.049 19.233 -15.797 1.00 0.00 ? 101 NAG A H83 10 HETATM 6459 H HN2 . NAG B 2 . ? 5.018 21.045 -18.863 1.00 0.00 ? 101 NAG A HN2 10 HETATM 6460 H HO3 . NAG B 2 . ? 8.176 22.954 -19.501 1.00 0.00 ? 101 NAG A HO3 10 HETATM 6461 H HO4 . NAG B 2 . ? 9.850 21.906 -21.980 1.00 0.00 ? 101 NAG A HO4 10 HETATM 6462 H HO6 . NAG B 2 . ? 7.994 17.770 -23.369 1.00 0.00 ? 101 NAG A HO6 10 HETATM 6463 C C1 . NAG C 2 . ? 6.743 -12.207 -4.258 1.00 0.00 ? 102 NAG A C1 10 HETATM 6464 C C2 . NAG C 2 . ? 8.205 -12.369 -3.838 1.00 0.00 ? 102 NAG A C2 10 HETATM 6465 C C3 . NAG C 2 . ? 8.896 -11.003 -3.892 1.00 0.00 ? 102 NAG A C3 10 HETATM 6466 C C4 . NAG C 2 . ? 8.679 -10.398 -5.283 1.00 0.00 ? 102 NAG A C4 10 HETATM 6467 C C5 . NAG C 2 . ? 7.181 -10.386 -5.595 1.00 0.00 ? 102 NAG A C5 10 HETATM 6468 C C6 . NAG C 2 . ? 6.954 -9.753 -6.969 1.00 0.00 ? 102 NAG A C6 10 HETATM 6469 C C7 . NAG C 2 . ? 8.300 -14.226 -2.263 1.00 0.00 ? 102 NAG A C7 10 HETATM 6470 C C8 . NAG C 2 . ? 8.364 -14.768 -0.859 1.00 0.00 ? 102 NAG A C8 10 HETATM 6471 N N2 . NAG C 2 . ? 8.267 -12.895 -2.473 1.00 0.00 ? 102 NAG A N2 10 HETATM 6472 O O3 . NAG C 2 . ? 10.296 -11.156 -3.650 1.00 0.00 ? 102 NAG A O3 10 HETATM 6473 O O4 . NAG C 2 . ? 9.184 -9.062 -5.312 1.00 0.00 ? 102 NAG A O4 10 HETATM 6474 O O5 . NAG C 2 . ? 6.676 -11.719 -5.596 1.00 0.00 ? 102 NAG A O5 10 HETATM 6475 O O6 . NAG C 2 . ? 5.555 -9.735 -7.260 1.00 0.00 ? 102 NAG A O6 10 HETATM 6476 O O7 . NAG C 2 . ? 8.278 -14.988 -3.207 1.00 0.00 ? 102 NAG A O7 10 HETATM 6477 H H1 . NAG C 2 . ? 6.249 -11.491 -3.586 1.00 0.00 ? 102 NAG A H1 10 HETATM 6478 H H2 . NAG C 2 . ? 8.710 -13.069 -4.520 1.00 0.00 ? 102 NAG A H2 10 HETATM 6479 H H3 . NAG C 2 . ? 8.473 -10.341 -3.121 1.00 0.00 ? 102 NAG A H3 10 HETATM 6480 H H4 . NAG C 2 . ? 9.210 -11.001 -6.035 1.00 0.00 ? 102 NAG A H4 10 HETATM 6481 H H5 . NAG C 2 . ? 6.655 -9.800 -4.826 1.00 0.00 ? 102 NAG A H5 10 HETATM 6482 H H61 . NAG C 2 . ? 7.356 -8.729 -6.986 1.00 0.00 ? 102 NAG A H61 10 HETATM 6483 H H62 . NAG C 2 . ? 7.492 -10.324 -7.741 1.00 0.00 ? 102 NAG A H62 10 HETATM 6484 H H81 . NAG C 2 . ? 7.693 -15.635 -0.770 1.00 0.00 ? 102 NAG A H81 10 HETATM 6485 H H82 . NAG C 2 . ? 9.395 -15.079 -0.633 1.00 0.00 ? 102 NAG A H82 10 HETATM 6486 H H83 . NAG C 2 . ? 8.053 -13.988 -0.149 1.00 0.00 ? 102 NAG A H83 10 HETATM 6487 H HN2 . NAG C 2 . ? 8.286 -12.267 -1.696 1.00 0.00 ? 102 NAG A HN2 10 HETATM 6488 H HO3 . NAG C 2 . ? 10.741 -10.261 -3.688 1.00 0.00 ? 102 NAG A HO3 10 HETATM 6489 H HO4 . NAG C 2 . ? 9.498 -8.844 -6.236 1.00 0.00 ? 102 NAG A HO4 10 HETATM 6490 H HO6 . NAG C 2 . ? 5.126 -10.560 -6.891 1.00 0.00 ? 102 NAG A HO6 10 ATOM 6491 N N . LYS A 1 1 ? 2.173 -1.716 -3.594 1.00 0.00 ? 1 LYS A N 11 ATOM 6492 C CA . LYS A 1 1 ? 2.610 -1.237 -4.900 1.00 0.00 ? 1 LYS A CA 11 ATOM 6493 C C . LYS A 1 1 ? 4.132 -1.167 -4.973 1.00 0.00 ? 1 LYS A C 11 ATOM 6494 O O . LYS A 1 1 ? 4.824 -1.096 -3.957 1.00 0.00 ? 1 LYS A O 11 ATOM 6495 C CB . LYS A 1 1 ? 2.011 0.142 -5.187 1.00 0.00 ? 1 LYS A CB 11 ATOM 6496 C CG . LYS A 1 1 ? 0.566 0.093 -5.652 1.00 0.00 ? 1 LYS A CG 11 ATOM 6497 C CD . LYS A 1 1 ? 0.189 1.340 -6.433 1.00 0.00 ? 1 LYS A CD 11 ATOM 6498 C CE . LYS A 1 1 ? -1.313 1.427 -6.654 1.00 0.00 ? 1 LYS A CE 11 ATOM 6499 N NZ . LYS A 1 1 ? -2.066 1.401 -5.369 1.00 0.00 ? 1 LYS A NZ 11 ATOM 6500 H H1 . LYS A 1 1 ? 1.217 -1.710 -3.378 1.00 0.00 ? 1 LYS A H1 11 ATOM 6501 H HA . LYS A 1 1 ? 2.258 -1.935 -5.644 1.00 0.00 ? 1 LYS A HA 11 ATOM 6502 H HB2 . LYS A 1 1 ? 2.057 0.736 -4.286 1.00 0.00 ? 1 LYS A HB2 11 ATOM 6503 H HB3 . LYS A 1 1 ? 2.599 0.624 -5.955 1.00 0.00 ? 1 LYS A HB3 11 ATOM 6504 H HG2 . LYS A 1 1 ? 0.431 -0.770 -6.287 1.00 0.00 ? 1 LYS A HG2 11 ATOM 6505 H HG3 . LYS A 1 1 ? -0.078 0.011 -4.788 1.00 0.00 ? 1 LYS A HG3 11 ATOM 6506 H HD2 . LYS A 1 1 ? 0.511 2.211 -5.881 1.00 0.00 ? 1 LYS A HD2 11 ATOM 6507 H HD3 . LYS A 1 1 ? 0.685 1.317 -7.393 1.00 0.00 ? 1 LYS A HD3 11 ATOM 6508 H HE2 . LYS A 1 1 ? -1.536 2.347 -7.173 1.00 0.00 ? 1 LYS A HE2 11 ATOM 6509 H HE3 . LYS A 1 1 ? -1.623 0.588 -7.260 1.00 0.00 ? 1 LYS A HE3 11 ATOM 6510 H HZ1 . LYS A 1 1 ? -2.959 1.924 -5.467 1.00 0.00 ? 1 LYS A HZ1 11 ATOM 6511 H HZ2 . LYS A 1 1 ? -1.499 1.840 -4.615 1.00 0.00 ? 1 LYS A HZ2 11 ATOM 6512 H HZ3 . LYS A 1 1 ? -2.279 0.419 -5.100 1.00 0.00 ? 1 LYS A HZ3 11 ATOM 6513 N N . PRO A 1 2 ? 4.668 -1.185 -6.202 1.00 0.00 ? 2 PRO A N 11 ATOM 6514 C CA . PRO A 1 2 ? 6.114 -1.122 -6.437 1.00 0.00 ? 2 PRO A CA 11 ATOM 6515 C C . PRO A 1 2 ? 6.697 0.245 -6.096 1.00 0.00 ? 2 PRO A C 11 ATOM 6516 O O . PRO A 1 2 ? 6.024 1.088 -5.505 1.00 0.00 ? 2 PRO A O 11 ATOM 6517 C CB . PRO A 1 2 ? 6.242 -1.400 -7.937 1.00 0.00 ? 2 PRO A CB 11 ATOM 6518 C CG . PRO A 1 2 ? 4.935 -0.978 -8.514 1.00 0.00 ? 2 PRO A CG 11 ATOM 6519 C CD . PRO A 1 2 ? 3.904 -1.268 -7.459 1.00 0.00 ? 2 PRO A CD 11 ATOM 6520 H HA . PRO A 1 2 ? 6.639 -1.885 -5.881 1.00 0.00 ? 2 PRO A HA 11 ATOM 6521 H HB2 . PRO A 1 2 ? 7.060 -0.822 -8.344 1.00 0.00 ? 2 PRO A HB2 11 ATOM 6522 H HB3 . PRO A 1 2 ? 6.423 -2.452 -8.097 1.00 0.00 ? 2 PRO A HB3 11 ATOM 6523 H HG2 . PRO A 1 2 ? 4.956 0.078 -8.737 1.00 0.00 ? 2 PRO A HG2 11 ATOM 6524 H HG3 . PRO A 1 2 ? 4.727 -1.548 -9.407 1.00 0.00 ? 2 PRO A HG3 11 ATOM 6525 H HD2 . PRO A 1 2 ? 3.120 -0.525 -7.483 1.00 0.00 ? 2 PRO A HD2 11 ATOM 6526 H HD3 . PRO A 1 2 ? 3.493 -2.258 -7.594 1.00 0.00 ? 2 PRO A HD3 11 ATOM 6527 N N . ALA A 1 3 ? 7.954 0.457 -6.474 1.00 0.00 ? 3 ALA A N 11 ATOM 6528 C CA . ALA A 1 3 ? 8.627 1.723 -6.211 1.00 0.00 ? 3 ALA A CA 11 ATOM 6529 C C . ALA A 1 3 ? 8.408 2.709 -7.354 1.00 0.00 ? 3 ALA A C 11 ATOM 6530 O O . ALA A 1 3 ? 9.052 3.756 -7.414 1.00 0.00 ? 3 ALA A O 11 ATOM 6531 C CB . ALA A 1 3 ? 10.114 1.493 -5.986 1.00 0.00 ? 3 ALA A CB 11 ATOM 6532 H H . ALA A 1 3 ? 8.439 -0.254 -6.943 1.00 0.00 ? 3 ALA A H 11 ATOM 6533 H HA . ALA A 1 3 ? 8.211 2.140 -5.305 1.00 0.00 ? 3 ALA A HA 11 ATOM 6534 H HB1 . ALA A 1 3 ? 10.624 1.489 -6.939 1.00 0.00 ? 3 ALA A HB1 11 ATOM 6535 H HB2 . ALA A 1 3 ? 10.511 2.285 -5.369 1.00 0.00 ? 3 ALA A HB2 11 ATOM 6536 H HB3 . ALA A 1 3 ? 10.261 0.544 -5.495 1.00 0.00 ? 3 ALA A HB3 11 ATOM 6537 N N . TRP A 1 4 ? 7.498 2.367 -8.258 1.00 0.00 ? 4 TRP A N 11 ATOM 6538 C CA . TRP A 1 4 ? 7.195 3.223 -9.399 1.00 0.00 ? 4 TRP A CA 11 ATOM 6539 C C . TRP A 1 4 ? 5.899 3.992 -9.175 1.00 0.00 ? 4 TRP A C 11 ATOM 6540 O O . TRP A 1 4 ? 5.829 5.197 -9.420 1.00 0.00 ? 4 TRP A O 11 ATOM 6541 C CB . TRP A 1 4 ? 7.093 2.387 -10.676 1.00 0.00 ? 4 TRP A CB 11 ATOM 6542 C CG . TRP A 1 4 ? 7.806 1.072 -10.585 1.00 0.00 ? 4 TRP A CG 11 ATOM 6543 C CD1 . TRP A 1 4 ? 9.081 0.860 -10.145 1.00 0.00 ? 4 TRP A CD1 11 ATOM 6544 C CD2 . TRP A 1 4 ? 7.284 -0.212 -10.943 1.00 0.00 ? 4 TRP A CD2 11 ATOM 6545 N NE1 . TRP A 1 4 ? 9.384 -0.478 -10.209 1.00 0.00 ? 4 TRP A NE1 11 ATOM 6546 C CE2 . TRP A 1 4 ? 8.298 -1.158 -10.694 1.00 0.00 ? 4 TRP A CE2 11 ATOM 6547 C CE3 . TRP A 1 4 ? 6.059 -0.656 -11.448 1.00 0.00 ? 4 TRP A CE3 11 ATOM 6548 C CZ2 . TRP A 1 4 ? 8.123 -2.518 -10.934 1.00 0.00 ? 4 TRP A CZ2 11 ATOM 6549 C CZ3 . TRP A 1 4 ? 5.887 -2.006 -11.686 1.00 0.00 ? 4 TRP A CZ3 11 ATOM 6550 C CH2 . TRP A 1 4 ? 6.913 -2.925 -11.429 1.00 0.00 ? 4 TRP A CH2 11 ATOM 6551 H H . TRP A 1 4 ? 7.017 1.519 -8.155 1.00 0.00 ? 4 TRP A H 11 ATOM 6552 H HA . TRP A 1 4 ? 8.006 3.929 -9.507 1.00 0.00 ? 4 TRP A HA 11 ATOM 6553 H HB2 . TRP A 1 4 ? 6.052 2.188 -10.886 1.00 0.00 ? 4 TRP A HB2 11 ATOM 6554 H HB3 . TRP A 1 4 ? 7.522 2.943 -11.497 1.00 0.00 ? 4 TRP A HB3 11 ATOM 6555 H HD1 . TRP A 1 4 ? 9.744 1.641 -9.803 1.00 0.00 ? 4 TRP A HD1 11 ATOM 6556 H HE1 . TRP A 1 4 ? 10.239 -0.881 -9.947 1.00 0.00 ? 4 TRP A HE1 11 ATOM 6557 H HE3 . TRP A 1 4 ? 5.256 0.036 -11.652 1.00 0.00 ? 4 TRP A HE3 11 ATOM 6558 H HZ2 . TRP A 1 4 ? 8.904 -3.238 -10.740 1.00 0.00 ? 4 TRP A HZ2 11 ATOM 6559 H HZ3 . TRP A 1 4 ? 4.947 -2.368 -12.077 1.00 0.00 ? 4 TRP A HZ3 11 ATOM 6560 H HH2 . TRP A 1 4 ? 6.735 -3.969 -11.630 1.00 0.00 ? 4 TRP A HH2 11 ATOM 6561 N N . CYS A 1 5 ? 4.872 3.290 -8.707 1.00 0.00 ? 5 CYS A N 11 ATOM 6562 C CA . CYS A 1 5 ? 3.577 3.907 -8.450 1.00 0.00 ? 5 CYS A CA 11 ATOM 6563 C C . CYS A 1 5 ? 3.475 4.374 -7.001 1.00 0.00 ? 5 CYS A C 11 ATOM 6564 O O . CYS A 1 5 ? 4.470 4.400 -6.275 1.00 0.00 ? 5 CYS A O 11 ATOM 6565 C CB . CYS A 1 5 ? 2.448 2.921 -8.759 1.00 0.00 ? 5 CYS A CB 11 ATOM 6566 S SG . CYS A 1 5 ? 2.670 2.002 -10.316 1.00 0.00 ? 5 CYS A SG 11 ATOM 6567 H H . CYS A 1 5 ? 4.989 2.332 -8.531 1.00 0.00 ? 5 CYS A H 11 ATOM 6568 H HA . CYS A 1 5 ? 3.482 4.764 -9.099 1.00 0.00 ? 5 CYS A HA 11 ATOM 6569 H HB2 . CYS A 1 5 ? 2.383 2.198 -7.958 1.00 0.00 ? 5 CYS A HB2 11 ATOM 6570 H HB3 . CYS A 1 5 ? 1.516 3.462 -8.826 1.00 0.00 ? 5 CYS A HB3 11 ATOM 6571 N N . TRP A 1 6 ? 2.268 4.742 -6.587 1.00 0.00 ? 6 TRP A N 11 ATOM 6572 C CA . TRP A 1 6 ? 2.037 5.209 -5.224 1.00 0.00 ? 6 TRP A CA 11 ATOM 6573 C C . TRP A 1 6 ? 0.606 4.918 -4.785 1.00 0.00 ? 6 TRP A C 11 ATOM 6574 O O . TRP A 1 6 ? 0.370 4.473 -3.662 1.00 0.00 ? 6 TRP A O 11 ATOM 6575 C CB . TRP A 1 6 ? 2.321 6.708 -5.122 1.00 0.00 ? 6 TRP A CB 11 ATOM 6576 C CG . TRP A 1 6 ? 3.031 7.093 -3.859 1.00 0.00 ? 6 TRP A CG 11 ATOM 6577 C CD1 . TRP A 1 6 ? 4.349 7.428 -3.730 1.00 0.00 ? 6 TRP A CD1 11 ATOM 6578 C CD2 . TRP A 1 6 ? 2.463 7.181 -2.548 1.00 0.00 ? 6 TRP A CD2 11 ATOM 6579 N NE1 . TRP A 1 6 ? 4.634 7.718 -2.418 1.00 0.00 ? 6 TRP A NE1 11 ATOM 6580 C CE2 . TRP A 1 6 ? 3.493 7.575 -1.673 1.00 0.00 ? 6 TRP A CE2 11 ATOM 6581 C CE3 . TRP A 1 6 ? 1.183 6.967 -2.029 1.00 0.00 ? 6 TRP A CE3 11 ATOM 6582 C CZ2 . TRP A 1 6 ? 3.282 7.757 -0.309 1.00 0.00 ? 6 TRP A CZ2 11 ATOM 6583 C CZ3 . TRP A 1 6 ? 0.975 7.148 -0.675 1.00 0.00 ? 6 TRP A CZ3 11 ATOM 6584 C CH2 . TRP A 1 6 ? 2.019 7.541 0.172 1.00 0.00 ? 6 TRP A CH2 11 ATOM 6585 H H . TRP A 1 6 ? 1.514 4.699 -7.212 1.00 0.00 ? 6 TRP A H 11 ATOM 6586 H HA . TRP A 1 6 ? 2.716 4.678 -4.573 1.00 0.00 ? 6 TRP A HA 11 ATOM 6587 H HB2 . TRP A 1 6 ? 2.936 7.010 -5.956 1.00 0.00 ? 6 TRP A HB2 11 ATOM 6588 H HB3 . TRP A 1 6 ? 1.385 7.247 -5.156 1.00 0.00 ? 6 TRP A HB3 11 ATOM 6589 H HD1 . TRP A 1 6 ? 5.053 7.454 -4.548 1.00 0.00 ? 6 TRP A HD1 11 ATOM 6590 H HE1 . TRP A 1 6 ? 5.512 7.986 -2.072 1.00 0.00 ? 6 TRP A HE1 11 ATOM 6591 H HE3 . TRP A 1 6 ? 0.365 6.664 -2.666 1.00 0.00 ? 6 TRP A HE3 11 ATOM 6592 H HZ2 . TRP A 1 6 ? 4.076 8.061 0.357 1.00 0.00 ? 6 TRP A HZ2 11 ATOM 6593 H HZ3 . TRP A 1 6 ? -0.007 6.987 -0.256 1.00 0.00 ? 6 TRP A HZ3 11 ATOM 6594 H HH2 . TRP A 1 6 ? 1.811 7.670 1.223 1.00 0.00 ? 6 TRP A HH2 11 ATOM 6595 N N . TYR A 1 7 ? -0.345 5.173 -5.677 1.00 0.00 ? 7 TYR A N 11 ATOM 6596 C CA . TYR A 1 7 ? -1.753 4.941 -5.380 1.00 0.00 ? 7 TYR A CA 11 ATOM 6597 C C . TYR A 1 7 ? -2.630 5.313 -6.572 1.00 0.00 ? 7 TYR A C 11 ATOM 6598 O O . TYR A 1 7 ? -2.137 5.522 -7.680 1.00 0.00 ? 7 TYR A O 11 ATOM 6599 C CB . TYR A 1 7 ? -2.177 5.747 -4.150 1.00 0.00 ? 7 TYR A CB 11 ATOM 6600 C CG . TYR A 1 7 ? -3.017 4.959 -3.170 1.00 0.00 ? 7 TYR A CG 11 ATOM 6601 C CD1 . TYR A 1 7 ? -2.533 3.794 -2.589 1.00 0.00 ? 7 TYR A CD1 11 ATOM 6602 C CD2 . TYR A 1 7 ? -4.295 5.382 -2.825 1.00 0.00 ? 7 TYR A CD2 11 ATOM 6603 C CE1 . TYR A 1 7 ? -3.297 3.071 -1.694 1.00 0.00 ? 7 TYR A CE1 11 ATOM 6604 C CE2 . TYR A 1 7 ? -5.066 4.666 -1.929 1.00 0.00 ? 7 TYR A CE2 11 ATOM 6605 C CZ . TYR A 1 7 ? -4.563 3.511 -1.367 1.00 0.00 ? 7 TYR A CZ 11 ATOM 6606 O OH . TYR A 1 7 ? -5.327 2.795 -0.475 1.00 0.00 ? 7 TYR A OH 11 ATOM 6607 H H . TYR A 1 7 ? -0.094 5.528 -6.555 1.00 0.00 ? 7 TYR A H 11 ATOM 6608 H HA . TYR A 1 7 ? -1.879 3.889 -5.169 1.00 0.00 ? 7 TYR A HA 11 ATOM 6609 H HB2 . TYR A 1 7 ? -1.294 6.087 -3.630 1.00 0.00 ? 7 TYR A HB2 11 ATOM 6610 H HB3 . TYR A 1 7 ? -2.753 6.602 -4.470 1.00 0.00 ? 7 TYR A HB3 11 ATOM 6611 H HD1 . TYR A 1 7 ? -1.541 3.452 -2.847 1.00 0.00 ? 7 TYR A HD1 11 ATOM 6612 H HD2 . TYR A 1 7 ? -4.686 6.287 -3.267 1.00 0.00 ? 7 TYR A HD2 11 ATOM 6613 H HE1 . TYR A 1 7 ? -2.904 2.167 -1.253 1.00 0.00 ? 7 TYR A HE1 11 ATOM 6614 H HE2 . TYR A 1 7 ? -6.057 5.010 -1.673 1.00 0.00 ? 7 TYR A HE2 11 ATOM 6615 H HH . TYR A 1 7 ? -5.279 1.861 -0.690 1.00 0.00 ? 7 TYR A HH 11 ATOM 6616 N N . THR A 1 8 ? -3.936 5.394 -6.335 1.00 0.00 ? 8 THR A N 11 ATOM 6617 C CA . THR A 1 8 ? -4.883 5.740 -7.387 1.00 0.00 ? 8 THR A CA 11 ATOM 6618 C C . THR A 1 8 ? -5.227 7.225 -7.351 1.00 0.00 ? 8 THR A C 11 ATOM 6619 O O . THR A 1 8 ? -6.291 7.638 -7.814 1.00 0.00 ? 8 THR A O 11 ATOM 6620 C CB . THR A 1 8 ? -6.182 4.921 -7.265 1.00 0.00 ? 8 THR A CB 11 ATOM 6621 O OG1 . THR A 1 8 ? -5.878 3.575 -6.884 1.00 0.00 ? 8 THR A OG1 11 ATOM 6622 C CG2 . THR A 1 8 ? -6.948 4.921 -8.579 1.00 0.00 ? 8 THR A CG2 11 ATOM 6623 H H . THR A 1 8 ? -4.269 5.216 -5.430 1.00 0.00 ? 8 THR A H 11 ATOM 6624 H HA . THR A 1 8 ? -4.425 5.509 -8.338 1.00 0.00 ? 8 THR A HA 11 ATOM 6625 H HB . THR A 1 8 ? -6.803 5.371 -6.504 1.00 0.00 ? 8 THR A HB 11 ATOM 6626 H HG1 . THR A 1 8 ? -5.036 3.317 -7.265 1.00 0.00 ? 8 THR A HG1 11 ATOM 6627 H HG21 . THR A 1 8 ? -6.322 5.328 -9.359 1.00 0.00 ? 8 THR A HG21 11 ATOM 6628 H HG22 . THR A 1 8 ? -7.836 5.526 -8.479 1.00 0.00 ? 8 THR A HG22 11 ATOM 6629 H HG23 . THR A 1 8 ? -7.227 3.910 -8.833 1.00 0.00 ? 8 THR A HG23 11 ATOM 6630 N N . LEU A 1 9 ? -4.320 8.024 -6.799 1.00 0.00 ? 9 LEU A N 11 ATOM 6631 C CA . LEU A 1 9 ? -4.527 9.465 -6.704 1.00 0.00 ? 9 LEU A CA 11 ATOM 6632 C C . LEU A 1 9 ? -4.670 10.087 -8.089 1.00 0.00 ? 9 LEU A C 11 ATOM 6633 O O . LEU A 1 9 ? -5.327 11.115 -8.254 1.00 0.00 ? 9 LEU A O 11 ATOM 6634 C CB . LEU A 1 9 ? -3.364 10.118 -5.956 1.00 0.00 ? 9 LEU A CB 11 ATOM 6635 C CG . LEU A 1 9 ? -3.564 10.326 -4.454 1.00 0.00 ? 9 LEU A CG 11 ATOM 6636 C CD1 . LEU A 1 9 ? -3.483 8.999 -3.716 1.00 0.00 ? 9 LEU A CD1 11 ATOM 6637 C CD2 . LEU A 1 9 ? -2.534 11.305 -3.909 1.00 0.00 ? 9 LEU A CD2 11 ATOM 6638 H H . LEU A 1 9 ? -3.492 7.637 -6.448 1.00 0.00 ? 9 LEU A H 11 ATOM 6639 H HA . LEU A 1 9 ? -5.440 9.632 -6.151 1.00 0.00 ? 9 LEU A HA 11 ATOM 6640 H HB2 . LEU A 1 9 ? -2.493 9.495 -6.090 1.00 0.00 ? 9 LEU A HB2 11 ATOM 6641 H HB3 . LEU A 1 9 ? -3.185 11.085 -6.404 1.00 0.00 ? 9 LEU A HB3 11 ATOM 6642 H HG . LEU A 1 9 ? -4.547 10.744 -4.283 1.00 0.00 ? 9 LEU A HG 11 ATOM 6643 H HD11 . LEU A 1 9 ? -2.450 8.706 -3.615 1.00 0.00 ? 9 LEU A HD11 11 ATOM 6644 H HD12 . LEU A 1 9 ? -4.020 8.245 -4.272 1.00 0.00 ? 9 LEU A HD12 11 ATOM 6645 H HD13 . LEU A 1 9 ? -3.925 9.105 -2.736 1.00 0.00 ? 9 LEU A HD13 11 ATOM 6646 H HD21 . LEU A 1 9 ? -2.527 12.197 -4.519 1.00 0.00 ? 9 LEU A HD21 11 ATOM 6647 H HD22 . LEU A 1 9 ? -1.557 10.847 -3.930 1.00 0.00 ? 9 LEU A HD22 11 ATOM 6648 H HD23 . LEU A 1 9 ? -2.788 11.566 -2.892 1.00 0.00 ? 9 LEU A HD23 11 ATOM 6649 N N . ALA A 1 10 ? -4.051 9.457 -9.082 1.00 0.00 ? 10 ALA A N 11 ATOM 6650 C CA . ALA A 1 10 ? -4.112 9.947 -10.453 1.00 0.00 ? 10 ALA A CA 11 ATOM 6651 C C . ALA A 1 10 ? -3.433 11.306 -10.582 1.00 0.00 ? 10 ALA A C 11 ATOM 6652 O O . ALA A 1 10 ? -4.075 12.302 -10.913 1.00 0.00 ? 10 ALA A O 11 ATOM 6653 C CB . ALA A 1 10 ? -5.558 10.031 -10.919 1.00 0.00 ? 10 ALA A CB 11 ATOM 6654 H H . ALA A 1 10 ? -3.542 8.642 -8.887 1.00 0.00 ? 10 ALA A H 11 ATOM 6655 H HA . ALA A 1 10 ? -3.597 9.237 -11.085 1.00 0.00 ? 10 ALA A HA 11 ATOM 6656 H HB1 . ALA A 1 10 ? -6.007 10.936 -10.536 1.00 0.00 ? 10 ALA A HB1 11 ATOM 6657 H HB2 . ALA A 1 10 ? -5.589 10.043 -11.999 1.00 0.00 ? 10 ALA A HB2 11 ATOM 6658 H HB3 . ALA A 1 10 ? -6.105 9.175 -10.553 1.00 0.00 ? 10 ALA A HB3 11 ATOM 6659 N N . MET A 1 11 ? -2.131 11.338 -10.318 1.00 0.00 ? 11 MET A N 11 ATOM 6660 C CA . MET A 1 11 ? -1.365 12.576 -10.405 1.00 0.00 ? 11 MET A CA 11 ATOM 6661 C C . MET A 1 11 ? -1.271 13.057 -11.850 1.00 0.00 ? 11 MET A C 11 ATOM 6662 O O . MET A 1 11 ? -1.941 14.012 -12.242 1.00 0.00 ? 11 MET A O 11 ATOM 6663 C CB . MET A 1 11 ? 0.038 12.374 -9.830 1.00 0.00 ? 11 MET A CB 11 ATOM 6664 C CG . MET A 1 11 ? 0.044 12.022 -8.351 1.00 0.00 ? 11 MET A CG 11 ATOM 6665 S SD . MET A 1 11 ? 1.570 11.211 -7.836 1.00 0.00 ? 11 MET A SD 11 ATOM 6666 C CE . MET A 1 11 ? 0.936 9.650 -7.230 1.00 0.00 ? 11 MET A CE 11 ATOM 6667 H H . MET A 1 11 ? -1.674 10.511 -10.059 1.00 0.00 ? 11 MET A H 11 ATOM 6668 H HA . MET A 1 11 ? -1.879 13.325 -9.822 1.00 0.00 ? 11 MET A HA 11 ATOM 6669 H HB2 . MET A 1 11 ? 0.524 11.576 -10.370 1.00 0.00 ? 11 MET A HB2 11 ATOM 6670 H HB3 . MET A 1 11 ? 0.604 13.284 -9.963 1.00 0.00 ? 11 MET A HB3 11 ATOM 6671 H HG2 . MET A 1 11 ? -0.075 12.929 -7.778 1.00 0.00 ? 11 MET A HG2 11 ATOM 6672 H HG3 . MET A 1 11 ? -0.785 11.360 -8.150 1.00 0.00 ? 11 MET A HG3 11 ATOM 6673 H HE1 . MET A 1 11 ? 1.759 9.027 -6.911 1.00 0.00 ? 11 MET A HE1 11 ATOM 6674 H HE2 . MET A 1 11 ? 0.276 9.829 -6.394 1.00 0.00 ? 11 MET A HE2 11 ATOM 6675 H HE3 . MET A 1 11 ? 0.392 9.152 -8.019 1.00 0.00 ? 11 MET A HE3 11 ATOM 6676 N N . CYS A 1 12 ? -0.434 12.389 -12.637 1.00 0.00 ? 12 CYS A N 11 ATOM 6677 C CA . CYS A 1 12 ? -0.251 12.748 -14.039 1.00 0.00 ? 12 CYS A CA 11 ATOM 6678 C C . CYS A 1 12 ? -1.595 12.835 -14.757 1.00 0.00 ? 12 CYS A C 11 ATOM 6679 O O . CYS A 1 12 ? -2.575 12.219 -14.341 1.00 0.00 ? 12 CYS A O 11 ATOM 6680 C CB . CYS A 1 12 ? 0.647 11.724 -14.736 1.00 0.00 ? 12 CYS A CB 11 ATOM 6681 S SG . CYS A 1 12 ? -0.164 10.126 -15.066 1.00 0.00 ? 12 CYS A SG 11 ATOM 6682 H H . CYS A 1 12 ? 0.073 11.635 -12.267 1.00 0.00 ? 12 CYS A H 11 ATOM 6683 H HA . CYS A 1 12 ? 0.225 13.715 -14.074 1.00 0.00 ? 12 CYS A HA 11 ATOM 6684 H HB2 . CYS A 1 12 ? 0.972 12.128 -15.683 1.00 0.00 ? 12 CYS A HB2 11 ATOM 6685 H HB3 . CYS A 1 12 ? 1.511 11.533 -14.116 1.00 0.00 ? 12 CYS A HB3 11 ATOM 6686 N N . GLY A 1 13 ? -1.631 13.606 -15.840 1.00 0.00 ? 13 GLY A N 11 ATOM 6687 C CA . GLY A 1 13 ? -2.858 13.760 -16.600 1.00 0.00 ? 13 GLY A CA 11 ATOM 6688 C C . GLY A 1 13 ? -3.650 14.982 -16.180 1.00 0.00 ? 13 GLY A C 11 ATOM 6689 O O . GLY A 1 13 ? -4.448 15.509 -16.954 1.00 0.00 ? 13 GLY A O 11 ATOM 6690 H H . GLY A 1 13 ? -0.818 14.073 -16.126 1.00 0.00 ? 13 GLY A H 11 ATOM 6691 H HA2 . GLY A 1 13 ? -2.611 13.847 -17.648 1.00 0.00 ? 13 GLY A HA2 11 ATOM 6692 H HA3 . GLY A 1 13 ? -3.470 12.882 -16.456 1.00 0.00 ? 13 GLY A HA3 11 ATOM 6693 N N . ALA A 1 14 ? -3.432 15.432 -14.949 1.00 0.00 ? 14 ALA A N 11 ATOM 6694 C CA . ALA A 1 14 ? -4.131 16.600 -14.427 1.00 0.00 ? 14 ALA A CA 11 ATOM 6695 C C . ALA A 1 14 ? -3.184 17.785 -14.275 1.00 0.00 ? 14 ALA A C 11 ATOM 6696 O O . ALA A 1 14 ? -3.365 18.629 -13.398 1.00 0.00 ? 14 ALA A O 11 ATOM 6697 C CB . ALA A 1 14 ? -4.786 16.270 -13.094 1.00 0.00 ? 14 ALA A CB 11 ATOM 6698 H H . ALA A 1 14 ? -2.783 14.969 -14.379 1.00 0.00 ? 14 ALA A H 11 ATOM 6699 H HA . ALA A 1 14 ? -4.911 16.863 -15.128 1.00 0.00 ? 14 ALA A HA 11 ATOM 6700 H HB1 . ALA A 1 14 ? -4.030 15.945 -12.393 1.00 0.00 ? 14 ALA A HB1 11 ATOM 6701 H HB2 . ALA A 1 14 ? -5.280 17.150 -12.708 1.00 0.00 ? 14 ALA A HB2 11 ATOM 6702 H HB3 . ALA A 1 14 ? -5.510 15.482 -13.234 1.00 0.00 ? 14 ALA A HB3 11 ATOM 6703 N N . GLY A 1 15 ? -2.171 17.842 -15.134 1.00 0.00 ? 15 GLY A N 11 ATOM 6704 C CA . GLY A 1 15 ? -1.210 18.927 -15.077 1.00 0.00 ? 15 GLY A CA 11 ATOM 6705 C C . GLY A 1 15 ? 0.083 18.522 -14.398 1.00 0.00 ? 15 GLY A C 11 ATOM 6706 O O . GLY A 1 15 ? 1.111 19.180 -14.560 1.00 0.00 ? 15 GLY A O 11 ATOM 6707 H H . GLY A 1 15 ? -2.076 17.141 -15.813 1.00 0.00 ? 15 GLY A H 11 ATOM 6708 H HA2 . GLY A 1 15 ? -0.989 19.251 -16.084 1.00 0.00 ? 15 GLY A HA2 11 ATOM 6709 H HA3 . GLY A 1 15 ? -1.646 19.751 -14.532 1.00 0.00 ? 15 GLY A HA3 11 ATOM 6710 N N . TYR A 1 16 ? 0.032 17.437 -13.633 1.00 0.00 ? 16 TYR A N 11 ATOM 6711 C CA . TYR A 1 16 ? 1.208 16.947 -12.923 1.00 0.00 ? 16 TYR A CA 11 ATOM 6712 C C . TYR A 1 16 ? 2.350 16.659 -13.892 1.00 0.00 ? 16 TYR A C 11 ATOM 6713 O O . TYR A 1 16 ? 3.520 16.864 -13.569 1.00 0.00 ? 16 TYR A O 11 ATOM 6714 C CB . TYR A 1 16 ? 0.862 15.682 -12.134 1.00 0.00 ? 16 TYR A CB 11 ATOM 6715 C CG . TYR A 1 16 ? 0.586 15.938 -10.670 1.00 0.00 ? 16 TYR A CG 11 ATOM 6716 C CD1 . TYR A 1 16 ? -0.683 16.296 -10.234 1.00 0.00 ? 16 TYR A CD1 11 ATOM 6717 C CD2 . TYR A 1 16 ? 1.596 15.820 -9.722 1.00 0.00 ? 16 TYR A CD2 11 ATOM 6718 C CE1 . TYR A 1 16 ? -0.939 16.531 -8.897 1.00 0.00 ? 16 TYR A CE1 11 ATOM 6719 C CE2 . TYR A 1 16 ? 1.348 16.052 -8.383 1.00 0.00 ? 16 TYR A CE2 11 ATOM 6720 C CZ . TYR A 1 16 ? 0.079 16.408 -7.975 1.00 0.00 ? 16 TYR A CZ 11 ATOM 6721 O OH . TYR A 1 16 ? -0.172 16.640 -6.642 1.00 0.00 ? 16 TYR A OH 11 ATOM 6722 H H . TYR A 1 16 ? -0.816 16.954 -13.543 1.00 0.00 ? 16 TYR A H 11 ATOM 6723 H HA . TYR A 1 16 ? 1.522 17.715 -12.232 1.00 0.00 ? 16 TYR A HA 11 ATOM 6724 H HB2 . TYR A 1 16 ? -0.018 15.228 -12.563 1.00 0.00 ? 16 TYR A HB2 11 ATOM 6725 H HB3 . TYR A 1 16 ? 1.688 14.988 -12.201 1.00 0.00 ? 16 TYR A HB3 11 ATOM 6726 H HD1 . TYR A 1 16 ? -1.479 16.391 -10.958 1.00 0.00 ? 16 TYR A HD1 11 ATOM 6727 H HD2 . TYR A 1 16 ? 2.589 15.542 -10.044 1.00 0.00 ? 16 TYR A HD2 11 ATOM 6728 H HE1 . TYR A 1 16 ? -1.933 16.809 -8.578 1.00 0.00 ? 16 TYR A HE1 11 ATOM 6729 H HE2 . TYR A 1 16 ? 2.146 15.956 -7.661 1.00 0.00 ? 16 TYR A HE2 11 ATOM 6730 H HH . TYR A 1 16 ? -0.054 15.825 -6.148 1.00 0.00 ? 16 TYR A HH 11 ATOM 6731 N N . ASP A 1 17 ? 2.001 16.184 -15.082 1.00 0.00 ? 17 ASP A N 11 ATOM 6732 C CA . ASP A 1 17 ? 2.996 15.869 -16.102 1.00 0.00 ? 17 ASP A CA 11 ATOM 6733 C C . ASP A 1 17 ? 2.737 16.664 -17.377 1.00 0.00 ? 17 ASP A C 11 ATOM 6734 O O . ASP A 1 17 ? 1.854 17.521 -17.418 1.00 0.00 ? 17 ASP A O 11 ATOM 6735 C CB . ASP A 1 17 ? 2.985 14.371 -16.409 1.00 0.00 ? 17 ASP A CB 11 ATOM 6736 C CG . ASP A 1 17 ? 3.369 13.530 -15.207 1.00 0.00 ? 17 ASP A CG 11 ATOM 6737 O OD1 . ASP A 1 17 ? 2.714 13.670 -14.153 1.00 0.00 ? 17 ASP A OD1 11 ATOM 6738 O OD2 . ASP A 1 17 ? 4.325 12.734 -15.319 1.00 0.00 ? 17 ASP A OD2 11 ATOM 6739 H H . ASP A 1 17 ? 1.052 16.042 -15.281 1.00 0.00 ? 17 ASP A H 11 ATOM 6740 H HA . ASP A 1 17 ? 3.966 16.141 -15.713 1.00 0.00 ? 17 ASP A HA 11 ATOM 6741 H HB2 . ASP A 1 17 ? 1.994 14.081 -16.725 1.00 0.00 ? 17 ASP A HB2 11 ATOM 6742 H HB3 . ASP A 1 17 ? 3.686 14.169 -17.205 1.00 0.00 ? 17 ASP A HB3 11 ATOM 6743 N N . SER A 1 18 ? 3.513 16.375 -18.417 1.00 0.00 ? 18 SER A N 11 ATOM 6744 C CA . SER A 1 18 ? 3.372 17.067 -19.693 1.00 0.00 ? 18 SER A CA 11 ATOM 6745 C C . SER A 1 18 ? 2.269 16.432 -20.535 1.00 0.00 ? 18 SER A C 11 ATOM 6746 O O . SER A 1 18 ? 2.624 15.472 -21.217 1.00 0.00 ? 18 SER A O 11 ATOM 6747 C CB . SER A 1 18 ? 4.695 17.041 -20.460 1.00 0.00 ? 18 SER A CB 11 ATOM 6748 O OG . SER A 1 18 ? 5.563 18.068 -20.014 1.00 0.00 ? 18 SER A OG 11 ATOM 6749 H H . SER A 1 18 ? 4.200 15.682 -18.322 1.00 0.00 ? 18 SER A H 11 ATOM 6750 H HA . SER A 1 18 ? 3.105 18.092 -19.486 1.00 0.00 ? 18 SER A HA 11 ATOM 6751 H HB2 . SER A 1 18 ? 5.177 16.087 -20.310 1.00 0.00 ? 18 SER A HB2 11 ATOM 6752 H HB3 . SER A 1 18 ? 4.499 17.184 -21.513 1.00 0.00 ? 18 SER A HB3 11 ATOM 6753 N N . GLY A 1 19 ? 1.125 16.420 -19.833 1.00 0.00 ? 19 GLY A N 11 ATOM 6754 C CA . GLY A 1 19 ? 0.231 15.278 -19.878 1.00 0.00 ? 19 GLY A CA 11 ATOM 6755 C C . GLY A 1 19 ? 0.913 14.028 -20.396 1.00 0.00 ? 19 GLY A C 11 ATOM 6756 O O . GLY A 1 19 ? 0.729 13.644 -21.552 1.00 0.00 ? 19 GLY A O 11 ATOM 6757 H H . GLY A 1 19 ? 0.890 17.203 -19.292 1.00 0.00 ? 19 GLY A H 11 ATOM 6758 H HA2 . GLY A 1 19 ? -0.141 15.087 -18.883 1.00 0.00 ? 19 GLY A HA2 11 ATOM 6759 H HA3 . GLY A 1 19 ? -0.602 15.514 -20.524 1.00 0.00 ? 19 GLY A HA3 11 ATOM 6760 N N . THR A 1 20 ? 1.706 13.390 -19.541 1.00 0.00 ? 20 THR A N 11 ATOM 6761 C CA . THR A 1 20 ? 2.420 12.177 -19.919 1.00 0.00 ? 20 THR A CA 11 ATOM 6762 C C . THR A 1 20 ? 2.659 11.280 -18.710 1.00 0.00 ? 20 THR A C 11 ATOM 6763 O O . THR A 1 20 ? 3.010 11.756 -17.630 1.00 0.00 ? 20 THR A O 11 ATOM 6764 C CB . THR A 1 20 ? 3.774 12.505 -20.577 1.00 0.00 ? 20 THR A CB 11 ATOM 6765 O OG1 . THR A 1 20 ? 4.314 11.332 -21.197 1.00 0.00 ? 20 THR A OG1 11 ATOM 6766 C CG2 . THR A 1 20 ? 4.759 13.040 -19.549 1.00 0.00 ? 20 THR A CG2 11 ATOM 6767 H H . THR A 1 20 ? 1.812 13.745 -18.634 1.00 0.00 ? 20 THR A H 11 ATOM 6768 H HA . THR A 1 20 ? 1.814 11.644 -20.637 1.00 0.00 ? 20 THR A HA 11 ATOM 6769 H HB . THR A 1 20 ? 3.616 13.262 -21.331 1.00 0.00 ? 20 THR A HB 11 ATOM 6770 H HG1 . THR A 1 20 ? 4.561 10.697 -20.521 1.00 0.00 ? 20 THR A HG1 11 ATOM 6771 H HG21 . THR A 1 20 ? 4.341 13.913 -19.071 1.00 0.00 ? 20 THR A HG21 11 ATOM 6772 H HG22 . THR A 1 20 ? 5.683 13.308 -20.041 1.00 0.00 ? 20 THR A HG22 11 ATOM 6773 H HG23 . THR A 1 20 ? 4.953 12.280 -18.806 1.00 0.00 ? 20 THR A HG23 11 ATOM 6774 N N . CYS A 1 21 ? 2.468 9.978 -18.898 1.00 0.00 ? 21 CYS A N 11 ATOM 6775 C CA . CYS A 1 21 ? 2.663 9.013 -17.823 1.00 0.00 ? 21 CYS A CA 11 ATOM 6776 C C . CYS A 1 21 ? 3.506 7.833 -18.298 1.00 0.00 ? 21 CYS A C 11 ATOM 6777 O O . CYS A 1 21 ? 4.012 7.830 -19.420 1.00 0.00 ? 21 CYS A O 11 ATOM 6778 C CB . CYS A 1 21 ? 1.312 8.514 -17.307 1.00 0.00 ? 21 CYS A CB 11 ATOM 6779 S SG . CYS A 1 21 ? 0.091 9.835 -17.020 1.00 0.00 ? 21 CYS A SG 11 ATOM 6780 H H . CYS A 1 21 ? 2.188 9.659 -19.783 1.00 0.00 ? 21 CYS A H 11 ATOM 6781 H HA . CYS A 1 21 ? 3.184 9.512 -17.020 1.00 0.00 ? 21 CYS A HA 11 ATOM 6782 H HB2 . CYS A 1 21 ? 0.891 7.829 -18.029 1.00 0.00 ? 21 CYS A HB2 11 ATOM 6783 H HB3 . CYS A 1 21 ? 1.462 7.995 -16.372 1.00 0.00 ? 21 CYS A HB3 11 ATOM 6784 N N . ASP A 1 22 ? 3.653 6.833 -17.436 1.00 0.00 ? 22 ASP A N 11 ATOM 6785 C CA . ASP A 1 22 ? 4.433 5.647 -17.766 1.00 0.00 ? 22 ASP A CA 11 ATOM 6786 C C . ASP A 1 22 ? 3.939 4.435 -16.982 1.00 0.00 ? 22 ASP A C 11 ATOM 6787 O O . ASP A 1 22 ? 3.253 3.569 -17.525 1.00 0.00 ? 22 ASP A O 11 ATOM 6788 C CB . ASP A 1 22 ? 5.916 5.888 -17.476 1.00 0.00 ? 22 ASP A CB 11 ATOM 6789 C CG . ASP A 1 22 ? 6.733 6.057 -18.741 1.00 0.00 ? 22 ASP A CG 11 ATOM 6790 O OD1 . ASP A 1 22 ? 6.568 5.236 -19.668 1.00 0.00 ? 22 ASP A OD1 11 ATOM 6791 O OD2 . ASP A 1 22 ? 7.539 7.009 -18.805 1.00 0.00 ? 22 ASP A OD2 11 ATOM 6792 H H . ASP A 1 22 ? 3.225 6.894 -16.556 1.00 0.00 ? 22 ASP A H 11 ATOM 6793 H HA . ASP A 1 22 ? 4.310 5.452 -18.821 1.00 0.00 ? 22 ASP A HA 11 ATOM 6794 H HB2 . ASP A 1 22 ? 6.018 6.784 -16.881 1.00 0.00 ? 22 ASP A HB2 11 ATOM 6795 H HB3 . ASP A 1 22 ? 6.309 5.047 -16.924 1.00 0.00 ? 22 ASP A HB3 11 ATOM 6796 N N . TYR A 1 23 ? 4.293 4.381 -15.703 1.00 0.00 ? 23 TYR A N 11 ATOM 6797 C CA . TYR A 1 23 ? 3.888 3.274 -14.845 1.00 0.00 ? 23 TYR A CA 11 ATOM 6798 C C . TYR A 1 23 ? 2.373 3.245 -14.670 1.00 0.00 ? 23 TYR A C 11 ATOM 6799 O O . TYR A 1 23 ? 1.789 2.198 -14.395 1.00 0.00 ? 23 TYR A O 11 ATOM 6800 C CB . TYR A 1 23 ? 4.569 3.385 -13.479 1.00 0.00 ? 23 TYR A CB 11 ATOM 6801 C CG . TYR A 1 23 ? 6.041 3.721 -13.562 1.00 0.00 ? 23 TYR A CG 11 ATOM 6802 C CD1 . TYR A 1 23 ? 6.924 2.898 -14.250 1.00 0.00 ? 23 TYR A CD1 11 ATOM 6803 C CD2 . TYR A 1 23 ? 6.549 4.860 -12.950 1.00 0.00 ? 23 TYR A CD2 11 ATOM 6804 C CE1 . TYR A 1 23 ? 8.269 3.200 -14.328 1.00 0.00 ? 23 TYR A CE1 11 ATOM 6805 C CE2 . TYR A 1 23 ? 7.893 5.171 -13.024 1.00 0.00 ? 23 TYR A CE2 11 ATOM 6806 C CZ . TYR A 1 23 ? 8.749 4.338 -13.713 1.00 0.00 ? 23 TYR A CZ 11 ATOM 6807 O OH . TYR A 1 23 ? 10.089 4.643 -13.787 1.00 0.00 ? 23 TYR A OH 11 ATOM 6808 H H . TYR A 1 23 ? 4.840 5.101 -15.327 1.00 0.00 ? 23 TYR A H 11 ATOM 6809 H HA . TYR A 1 23 ? 4.202 2.355 -15.318 1.00 0.00 ? 23 TYR A HA 11 ATOM 6810 H HB2 . TYR A 1 23 ? 4.084 4.159 -12.905 1.00 0.00 ? 23 TYR A HB2 11 ATOM 6811 H HB3 . TYR A 1 23 ? 4.472 2.443 -12.959 1.00 0.00 ? 23 TYR A HB3 11 ATOM 6812 H HD1 . TYR A 1 23 ? 6.545 2.007 -14.730 1.00 0.00 ? 23 TYR A HD1 11 ATOM 6813 H HD2 . TYR A 1 23 ? 5.876 5.510 -12.410 1.00 0.00 ? 23 TYR A HD2 11 ATOM 6814 H HE1 . TYR A 1 23 ? 8.940 2.548 -14.868 1.00 0.00 ? 23 TYR A HE1 11 ATOM 6815 H HE2 . TYR A 1 23 ? 8.269 6.062 -12.542 1.00 0.00 ? 23 TYR A HE2 11 ATOM 6816 H HH . TYR A 1 23 ? 10.224 5.555 -13.519 1.00 0.00 ? 23 TYR A HH 11 ATOM 6817 N N . MET A 1 24 ? 1.744 4.405 -14.831 1.00 0.00 ? 24 MET A N 11 ATOM 6818 C CA . MET A 1 24 ? 0.296 4.514 -14.693 1.00 0.00 ? 24 MET A CA 11 ATOM 6819 C C . MET A 1 24 ? -0.415 3.677 -15.752 1.00 0.00 ? 24 MET A C 11 ATOM 6820 O O . MET A 1 24 ? -1.384 2.977 -15.456 1.00 0.00 ? 24 MET A O 11 ATOM 6821 C CB . MET A 1 24 ? -0.140 5.976 -14.804 1.00 0.00 ? 24 MET A CB 11 ATOM 6822 C CG . MET A 1 24 ? 0.202 6.807 -13.578 1.00 0.00 ? 24 MET A CG 11 ATOM 6823 S SD . MET A 1 24 ? 1.859 7.513 -13.657 1.00 0.00 ? 24 MET A SD 11 ATOM 6824 C CE . MET A 1 24 ? 2.735 6.449 -12.512 1.00 0.00 ? 24 MET A CE 11 ATOM 6825 H H . MET A 1 24 ? 2.264 5.206 -15.049 1.00 0.00 ? 24 MET A H 11 ATOM 6826 H HA . MET A 1 24 ? 0.028 4.141 -13.716 1.00 0.00 ? 24 MET A HA 11 ATOM 6827 H HB2 . MET A 1 24 ? 0.346 6.420 -15.660 1.00 0.00 ? 24 MET A HB2 11 ATOM 6828 H HB3 . MET A 1 24 ? -1.209 6.011 -14.949 1.00 0.00 ? 24 MET A HB3 11 ATOM 6829 H HG2 . MET A 1 24 ? -0.513 7.612 -13.494 1.00 0.00 ? 24 MET A HG2 11 ATOM 6830 H HG3 . MET A 1 24 ? 0.135 6.177 -12.704 1.00 0.00 ? 24 MET A HG3 11 ATOM 6831 H HE1 . MET A 1 24 ? 2.476 5.419 -12.708 1.00 0.00 ? 24 MET A HE1 11 ATOM 6832 H HE2 . MET A 1 24 ? 3.799 6.584 -12.637 1.00 0.00 ? 24 MET A HE2 11 ATOM 6833 H HE3 . MET A 1 24 ? 2.456 6.704 -11.500 1.00 0.00 ? 24 MET A HE3 11 ATOM 6834 N N . TYR A 1 25 ? 0.071 3.754 -16.985 1.00 0.00 ? 25 TYR A N 11 ATOM 6835 C CA . TYR A 1 25 ? -0.521 3.006 -18.088 1.00 0.00 ? 25 TYR A CA 11 ATOM 6836 C C . TYR A 1 25 ? -0.318 1.505 -17.899 1.00 0.00 ? 25 TYR A C 11 ATOM 6837 O O . TYR A 1 25 ? -0.911 0.693 -18.609 1.00 0.00 ? 25 TYR A O 11 ATOM 6838 C CB . TYR A 1 25 ? 0.089 3.450 -19.419 1.00 0.00 ? 25 TYR A CB 11 ATOM 6839 C CG . TYR A 1 25 ? -0.488 4.744 -19.947 1.00 0.00 ? 25 TYR A CG 11 ATOM 6840 C CD1 . TYR A 1 25 ? -0.455 5.905 -19.184 1.00 0.00 ? 25 TYR A CD1 11 ATOM 6841 C CD2 . TYR A 1 25 ? -1.067 4.805 -21.209 1.00 0.00 ? 25 TYR A CD2 11 ATOM 6842 C CE1 . TYR A 1 25 ? -0.982 7.089 -19.662 1.00 0.00 ? 25 TYR A CE1 11 ATOM 6843 C CE2 . TYR A 1 25 ? -1.595 5.985 -21.695 1.00 0.00 ? 25 TYR A CE2 11 ATOM 6844 C CZ . TYR A 1 25 ? -1.550 7.124 -20.919 1.00 0.00 ? 25 TYR A CZ 11 ATOM 6845 O OH . TYR A 1 25 ? -2.076 8.301 -21.400 1.00 0.00 ? 25 TYR A OH 11 ATOM 6846 H H . TYR A 1 25 ? 0.845 4.329 -17.159 1.00 0.00 ? 25 TYR A H 11 ATOM 6847 H HA . TYR A 1 25 ? -1.580 3.216 -18.101 1.00 0.00 ? 25 TYR A HA 11 ATOM 6848 H HB2 . TYR A 1 25 ? 1.152 3.590 -19.291 1.00 0.00 ? 25 TYR A HB2 11 ATOM 6849 H HB3 . TYR A 1 25 ? -0.082 2.683 -20.159 1.00 0.00 ? 25 TYR A HB3 11 ATOM 6850 H HD1 . TYR A 1 25 ? -0.009 5.874 -18.200 1.00 0.00 ? 25 TYR A HD1 11 ATOM 6851 H HD2 . TYR A 1 25 ? -1.101 3.911 -21.814 1.00 0.00 ? 25 TYR A HD2 11 ATOM 6852 H HE1 . TYR A 1 25 ? -0.947 7.981 -19.055 1.00 0.00 ? 25 TYR A HE1 11 ATOM 6853 H HE2 . TYR A 1 25 ? -2.040 6.013 -22.679 1.00 0.00 ? 25 TYR A HE2 11 ATOM 6854 H HH . TYR A 1 25 ? -2.900 8.493 -20.945 1.00 0.00 ? 25 TYR A HH 11 ATOM 6855 N N . SER A 1 26 ? 0.523 1.145 -16.935 1.00 0.00 ? 26 SER A N 11 ATOM 6856 C CA . SER A 1 26 ? 0.807 -0.257 -16.653 1.00 0.00 ? 26 SER A CA 11 ATOM 6857 C C . SER A 1 26 ? -0.226 -0.838 -15.693 1.00 0.00 ? 26 SER A C 11 ATOM 6858 O O . SER A 1 26 ? 0.083 -1.716 -14.886 1.00 0.00 ? 26 SER A O 11 ATOM 6859 C CB . SER A 1 26 ? 2.210 -0.406 -16.061 1.00 0.00 ? 26 SER A CB 11 ATOM 6860 O OG . SER A 1 26 ? 2.651 -1.751 -16.126 1.00 0.00 ? 26 SER A OG 11 ATOM 6861 H H . SER A 1 26 ? 0.965 1.840 -16.402 1.00 0.00 ? 26 SER A H 11 ATOM 6862 H HA . SER A 1 26 ? 0.760 -0.799 -17.586 1.00 0.00 ? 26 SER A HA 11 ATOM 6863 H HB2 . SER A 1 26 ? 2.899 0.214 -16.615 1.00 0.00 ? 26 SER A HB2 11 ATOM 6864 H HB3 . SER A 1 26 ? 2.196 -0.093 -15.027 1.00 0.00 ? 26 SER A HB3 11 ATOM 6865 H HG . SER A 1 26 ? 2.766 -2.006 -17.045 1.00 0.00 ? 26 SER A HG 11 ATOM 6866 N N . HIS A 1 27 ? -1.456 -0.342 -15.786 1.00 0.00 ? 27 HIS A N 11 ATOM 6867 C CA . HIS A 1 27 ? -2.537 -0.812 -14.927 1.00 0.00 ? 27 HIS A CA 11 ATOM 6868 C C . HIS A 1 27 ? -2.151 -0.696 -13.455 1.00 0.00 ? 27 HIS A C 11 ATOM 6869 O O . HIS A 1 27 ? -2.238 -1.665 -12.701 1.00 0.00 ? 27 HIS A O 11 ATOM 6870 C CB . HIS A 1 27 ? -2.889 -2.262 -15.261 1.00 0.00 ? 27 HIS A CB 11 ATOM 6871 C CG . HIS A 1 27 ? -4.338 -2.587 -15.065 1.00 0.00 ? 27 HIS A CG 11 ATOM 6872 N ND1 . HIS A 1 27 ? -4.780 -3.813 -14.614 1.00 0.00 ? 27 HIS A ND1 11 ATOM 6873 C CD2 . HIS A 1 27 ? -5.447 -1.838 -15.261 1.00 0.00 ? 27 HIS A CD2 11 ATOM 6874 C CE1 . HIS A 1 27 ? -6.099 -3.804 -14.543 1.00 0.00 ? 27 HIS A CE1 11 ATOM 6875 N NE2 . HIS A 1 27 ? -6.529 -2.616 -14.929 1.00 0.00 ? 27 HIS A NE2 11 ATOM 6876 H H . HIS A 1 27 ? -1.641 0.355 -16.449 1.00 0.00 ? 27 HIS A H 11 ATOM 6877 H HA . HIS A 1 27 ? -3.400 -0.190 -15.110 1.00 0.00 ? 27 HIS A HA 11 ATOM 6878 H HB2 . HIS A 1 27 ? -2.642 -2.457 -16.294 1.00 0.00 ? 27 HIS A HB2 11 ATOM 6879 H HB3 . HIS A 1 27 ? -2.312 -2.921 -14.627 1.00 0.00 ? 27 HIS A HB3 11 ATOM 6880 H HD1 . HIS A 1 27 ? -4.211 -4.577 -14.383 1.00 0.00 ? 27 HIS A HD1 11 ATOM 6881 H HD2 . HIS A 1 27 ? -5.478 -0.816 -15.613 1.00 0.00 ? 27 HIS A HD2 11 ATOM 6882 H HE1 . HIS A 1 27 ? -6.720 -4.626 -14.222 1.00 0.00 ? 27 HIS A HE1 11 ATOM 6883 N N . CYS A 1 28 ? -1.724 0.497 -13.053 1.00 0.00 ? 28 CYS A N 11 ATOM 6884 C CA . CYS A 1 28 ? -1.323 0.741 -11.673 1.00 0.00 ? 28 CYS A CA 11 ATOM 6885 C C . CYS A 1 28 ? -2.245 1.761 -11.011 1.00 0.00 ? 28 CYS A C 11 ATOM 6886 O O . CYS A 1 28 ? -2.320 1.843 -9.785 1.00 0.00 ? 28 CYS A O 11 ATOM 6887 C CB . CYS A 1 28 ? 0.124 1.235 -11.620 1.00 0.00 ? 28 CYS A CB 11 ATOM 6888 S SG . CYS A 1 28 ? 1.050 0.666 -10.158 1.00 0.00 ? 28 CYS A SG 11 ATOM 6889 H H . CYS A 1 28 ? -1.676 1.232 -13.702 1.00 0.00 ? 28 CYS A H 11 ATOM 6890 H HA . CYS A 1 28 ? -1.396 -0.193 -11.136 1.00 0.00 ? 28 CYS A HA 11 ATOM 6891 H HB2 . CYS A 1 28 ? 0.648 0.884 -12.497 1.00 0.00 ? 28 CYS A HB2 11 ATOM 6892 H HB3 . CYS A 1 28 ? 0.128 2.315 -11.612 1.00 0.00 ? 28 CYS A HB3 11 ATOM 6893 N N . PHE A 1 29 ? -2.946 2.536 -11.832 1.00 0.00 ? 29 PHE A N 11 ATOM 6894 C CA . PHE A 1 29 ? -3.863 3.552 -11.327 1.00 0.00 ? 29 PHE A CA 11 ATOM 6895 C C . PHE A 1 29 ? -5.297 3.250 -11.753 1.00 0.00 ? 29 PHE A C 11 ATOM 6896 O O . PHE A 1 29 ? -6.251 3.678 -11.105 1.00 0.00 ? 29 PHE A O 11 ATOM 6897 C CB . PHE A 1 29 ? -3.450 4.937 -11.829 1.00 0.00 ? 29 PHE A CB 11 ATOM 6898 C CG . PHE A 1 29 ? -2.316 5.542 -11.053 1.00 0.00 ? 29 PHE A CG 11 ATOM 6899 C CD1 . PHE A 1 29 ? -1.120 4.859 -10.901 1.00 0.00 ? 29 PHE A CD1 11 ATOM 6900 C CD2 . PHE A 1 29 ? -2.446 6.795 -10.474 1.00 0.00 ? 29 PHE A CD2 11 ATOM 6901 C CE1 . PHE A 1 29 ? -0.074 5.414 -10.188 1.00 0.00 ? 29 PHE A CE1 11 ATOM 6902 C CE2 . PHE A 1 29 ? -1.403 7.355 -9.760 1.00 0.00 ? 29 PHE A CE2 11 ATOM 6903 C CZ . PHE A 1 29 ? -0.216 6.663 -9.616 1.00 0.00 ? 29 PHE A CZ 11 ATOM 6904 H H . PHE A 1 29 ? -2.844 2.423 -12.800 1.00 0.00 ? 29 PHE A H 11 ATOM 6905 H HA . PHE A 1 29 ? -3.810 3.538 -10.249 1.00 0.00 ? 29 PHE A HA 11 ATOM 6906 H HB2 . PHE A 1 29 ? -3.142 4.861 -12.861 1.00 0.00 ? 29 PHE A HB2 11 ATOM 6907 H HB3 . PHE A 1 29 ? -4.296 5.604 -11.758 1.00 0.00 ? 29 PHE A HB3 11 ATOM 6908 H HD1 . PHE A 1 29 ? -1.008 3.882 -11.349 1.00 0.00 ? 29 PHE A HD1 11 ATOM 6909 H HD2 . PHE A 1 29 ? -3.373 7.337 -10.585 1.00 0.00 ? 29 PHE A HD2 11 ATOM 6910 H HE1 . PHE A 1 29 ? 0.853 4.870 -10.077 1.00 0.00 ? 29 PHE A HE1 11 ATOM 6911 H HE2 . PHE A 1 29 ? -1.517 8.331 -9.314 1.00 0.00 ? 29 PHE A HE2 11 ATOM 6912 H HZ . PHE A 1 29 ? 0.600 7.098 -9.059 1.00 0.00 ? 29 PHE A HZ 11 ATOM 6913 N N . GLY A 1 30 ? -5.439 2.510 -12.848 1.00 0.00 ? 30 GLY A N 11 ATOM 6914 C CA . GLY A 1 30 ? -6.758 2.164 -13.343 1.00 0.00 ? 30 GLY A CA 11 ATOM 6915 C C . GLY A 1 30 ? -7.233 3.104 -14.434 1.00 0.00 ? 30 GLY A C 11 ATOM 6916 O O . GLY A 1 30 ? -8.435 3.256 -14.652 1.00 0.00 ? 30 GLY A O 11 ATOM 6917 H H . GLY A 1 30 ? -4.641 2.197 -13.324 1.00 0.00 ? 30 GLY A H 11 ATOM 6918 H HA2 . GLY A 1 30 ? -6.732 1.159 -13.736 1.00 0.00 ? 30 GLY A HA2 11 ATOM 6919 H HA3 . GLY A 1 30 ? -7.459 2.201 -12.522 1.00 0.00 ? 30 GLY A HA3 11 ATOM 6920 N N . VAL A 1 31 ? -6.288 3.738 -15.119 1.00 0.00 ? 31 VAL A N 11 ATOM 6921 C CA . VAL A 1 31 ? -6.616 4.669 -16.193 1.00 0.00 ? 31 VAL A CA 11 ATOM 6922 C C . VAL A 1 31 ? -6.418 4.024 -17.559 1.00 0.00 ? 31 VAL A C 11 ATOM 6923 O O . VAL A 1 31 ? -7.131 4.335 -18.514 1.00 0.00 ? 31 VAL A O 11 ATOM 6924 C CB . VAL A 1 31 ? -5.757 5.945 -16.111 1.00 0.00 ? 31 VAL A CB 11 ATOM 6925 C CG1 . VAL A 1 31 ? -5.993 6.664 -14.791 1.00 0.00 ? 31 VAL A CG1 11 ATOM 6926 C CG2 . VAL A 1 31 ? -4.285 5.608 -16.289 1.00 0.00 ? 31 VAL A CG2 11 ATOM 6927 H H . VAL A 1 31 ? -5.347 3.576 -14.899 1.00 0.00 ? 31 VAL A H 11 ATOM 6928 H HA . VAL A 1 31 ? -7.653 4.951 -16.085 1.00 0.00 ? 31 VAL A HA 11 ATOM 6929 H HB . VAL A 1 31 ? -6.053 6.606 -16.912 1.00 0.00 ? 31 VAL A HB 11 ATOM 6930 H HG11 . VAL A 1 31 ? -7.051 6.838 -14.660 1.00 0.00 ? 31 VAL A HG11 11 ATOM 6931 H HG12 . VAL A 1 31 ? -5.623 6.055 -13.978 1.00 0.00 ? 31 VAL A HG12 11 ATOM 6932 H HG13 . VAL A 1 31 ? -5.471 7.610 -14.798 1.00 0.00 ? 31 VAL A HG13 11 ATOM 6933 H HG21 . VAL A 1 31 ? -3.984 5.832 -17.301 1.00 0.00 ? 31 VAL A HG21 11 ATOM 6934 H HG22 . VAL A 1 31 ? -3.696 6.196 -15.600 1.00 0.00 ? 31 VAL A HG22 11 ATOM 6935 H HG23 . VAL A 1 31 ? -4.129 4.558 -16.090 1.00 0.00 ? 31 VAL A HG23 11 ATOM 6936 N N . LYS A 1 32 ? -5.446 3.122 -17.647 1.00 0.00 ? 32 LYS A N 11 ATOM 6937 C CA . LYS A 1 32 ? -5.154 2.430 -18.896 1.00 0.00 ? 32 LYS A CA 11 ATOM 6938 C C . LYS A 1 32 ? -6.384 1.684 -19.405 1.00 0.00 ? 32 LYS A C 11 ATOM 6939 O O . LYS A 1 32 ? -6.944 0.841 -18.705 1.00 0.00 ? 32 LYS A O 11 ATOM 6940 C CB . LYS A 1 32 ? -3.995 1.450 -18.702 1.00 0.00 ? 32 LYS A CB 11 ATOM 6941 C CG . LYS A 1 32 ? -3.631 0.681 -19.960 1.00 0.00 ? 32 LYS A CG 11 ATOM 6942 C CD . LYS A 1 32 ? -2.672 1.468 -20.837 1.00 0.00 ? 32 LYS A CD 11 ATOM 6943 C CE . LYS A 1 32 ? -3.404 2.521 -21.656 1.00 0.00 ? 32 LYS A CE 11 ATOM 6944 N NZ . LYS A 1 32 ? -2.861 2.625 -23.039 1.00 0.00 ? 32 LYS A NZ 11 ATOM 6945 H H . LYS A 1 32 ? -4.912 2.917 -16.851 1.00 0.00 ? 32 LYS A H 11 ATOM 6946 H HA . LYS A 1 32 ? -4.869 3.171 -19.628 1.00 0.00 ? 32 LYS A HA 11 ATOM 6947 H HB2 . LYS A 1 32 ? -3.124 2.001 -18.377 1.00 0.00 ? 32 LYS A HB2 11 ATOM 6948 H HB3 . LYS A 1 32 ? -4.266 0.738 -17.935 1.00 0.00 ? 32 LYS A HB3 11 ATOM 6949 H HG2 . LYS A 1 32 ? -3.162 -0.250 -19.678 1.00 0.00 ? 32 LYS A HG2 11 ATOM 6950 H HG3 . LYS A 1 32 ? -4.533 0.477 -20.519 1.00 0.00 ? 32 LYS A HG3 11 ATOM 6951 H HD2 . LYS A 1 32 ? -1.943 1.959 -20.210 1.00 0.00 ? 32 LYS A HD2 11 ATOM 6952 H HD3 . LYS A 1 32 ? -2.171 0.786 -21.510 1.00 0.00 ? 32 LYS A HD3 11 ATOM 6953 H HE2 . LYS A 1 32 ? -4.449 2.257 -21.708 1.00 0.00 ? 32 LYS A HE2 11 ATOM 6954 H HE3 . LYS A 1 32 ? -3.298 3.477 -21.164 1.00 0.00 ? 32 LYS A HE3 11 ATOM 6955 H HZ1 . LYS A 1 32 ? -3.495 2.145 -23.709 1.00 0.00 ? 32 LYS A HZ1 11 ATOM 6956 H HZ2 . LYS A 1 32 ? -1.922 2.180 -23.088 1.00 0.00 ? 32 LYS A HZ2 11 ATOM 6957 H HZ3 . LYS A 1 32 ? -2.773 3.623 -23.314 1.00 0.00 ? 32 LYS A HZ3 11 ATOM 6958 N N . HIS A 1 33 ? -6.797 1.999 -20.629 1.00 0.00 ? 33 HIS A N 11 ATOM 6959 C CA . HIS A 1 33 ? -7.959 1.357 -21.232 1.00 0.00 ? 33 HIS A CA 11 ATOM 6960 C C . HIS A 1 33 ? -7.578 0.017 -21.854 1.00 0.00 ? 33 HIS A C 11 ATOM 6961 O O . HIS A 1 33 ? -6.402 -0.345 -21.898 1.00 0.00 ? 33 HIS A O 11 ATOM 6962 C CB . HIS A 1 33 ? -8.578 2.267 -22.294 1.00 0.00 ? 33 HIS A CB 11 ATOM 6963 C CG . HIS A 1 33 ? -8.750 3.684 -21.841 1.00 0.00 ? 33 HIS A CG 11 ATOM 6964 N ND1 . HIS A 1 33 ? -8.452 4.770 -22.636 1.00 0.00 ? 33 HIS A ND1 11 ATOM 6965 C CD2 . HIS A 1 33 ? -9.195 4.191 -20.667 1.00 0.00 ? 33 HIS A CD2 11 ATOM 6966 C CE1 . HIS A 1 33 ? -8.705 5.883 -21.971 1.00 0.00 ? 33 HIS A CE1 11 ATOM 6967 N NE2 . HIS A 1 33 ? -9.157 5.559 -20.773 1.00 0.00 ? 33 HIS A NE2 11 ATOM 6968 H H . HIS A 1 33 ? -6.309 2.680 -21.138 1.00 0.00 ? 33 HIS A H 11 ATOM 6969 H HA . HIS A 1 33 ? -8.685 1.184 -20.452 1.00 0.00 ? 33 HIS A HA 11 ATOM 6970 H HB2 . HIS A 1 33 ? -7.943 2.274 -23.167 1.00 0.00 ? 33 HIS A HB2 11 ATOM 6971 H HB3 . HIS A 1 33 ? -9.551 1.884 -22.565 1.00 0.00 ? 33 HIS A HB3 11 ATOM 6972 H HD1 . HIS A 1 33 ? -8.106 4.731 -23.552 1.00 0.00 ? 33 HIS A HD1 11 ATOM 6973 H HD2 . HIS A 1 33 ? -9.519 3.624 -19.805 1.00 0.00 ? 33 HIS A HD2 11 ATOM 6974 H HE1 . HIS A 1 33 ? -8.566 6.888 -22.342 1.00 0.00 ? 33 HIS A HE1 11 ATOM 6975 N N . SER A 1 34 ? -8.579 -0.715 -22.331 1.00 0.00 ? 34 SER A N 11 ATOM 6976 C CA . SER A 1 34 ? -8.349 -2.017 -22.946 1.00 0.00 ? 34 SER A CA 11 ATOM 6977 C C . SER A 1 34 ? -7.930 -1.863 -24.405 1.00 0.00 ? 34 SER A C 11 ATOM 6978 O O . SER A 1 34 ? -8.415 -0.980 -25.112 1.00 0.00 ? 34 SER A O 11 ATOM 6979 C CB . SER A 1 34 ? -9.611 -2.878 -22.855 1.00 0.00 ? 34 SER A CB 11 ATOM 6980 O OG . SER A 1 34 ? -9.357 -4.202 -23.290 1.00 0.00 ? 34 SER A OG 11 ATOM 6981 H H . SER A 1 34 ? -9.495 -0.372 -22.266 1.00 0.00 ? 34 SER A H 11 ATOM 6982 H HA . SER A 1 34 ? -7.552 -2.503 -22.404 1.00 0.00 ? 34 SER A HA 11 ATOM 6983 H HB2 . SER A 1 34 ? -9.950 -2.907 -21.831 1.00 0.00 ? 34 SER A HB2 11 ATOM 6984 H HB3 . SER A 1 34 ? -10.382 -2.448 -23.477 1.00 0.00 ? 34 SER A HB3 11 ATOM 6985 H HG . SER A 1 34 ? -9.583 -4.819 -22.590 1.00 0.00 ? 34 SER A HG 11 ATOM 6986 N N . SER A 1 35 ? -7.024 -2.728 -24.848 1.00 0.00 ? 35 SER A N 11 ATOM 6987 C CA . SER A 1 35 ? -6.535 -2.687 -26.221 1.00 0.00 ? 35 SER A CA 11 ATOM 6988 C C . SER A 1 35 ? -7.633 -3.087 -27.201 1.00 0.00 ? 35 SER A C 11 ATOM 6989 O O . SER A 1 35 ? -7.798 -4.264 -27.520 1.00 0.00 ? 35 SER A O 11 ATOM 6990 C CB . SER A 1 35 ? -5.328 -3.613 -26.383 1.00 0.00 ? 35 SER A CB 11 ATOM 6991 O OG . SER A 1 35 ? -4.528 -3.619 -25.214 1.00 0.00 ? 35 SER A OG 11 ATOM 6992 H H . SER A 1 35 ? -6.674 -3.409 -24.236 1.00 0.00 ? 35 SER A H 11 ATOM 6993 H HA . SER A 1 35 ? -6.230 -1.673 -26.434 1.00 0.00 ? 35 SER A HA 11 ATOM 6994 H HB2 . SER A 1 35 ? -5.672 -4.618 -26.574 1.00 0.00 ? 35 SER A HB2 11 ATOM 6995 H HB3 . SER A 1 35 ? -4.727 -3.275 -27.215 1.00 0.00 ? 35 SER A HB3 11 ATOM 6996 H HG . SER A 1 35 ? -3.635 -3.890 -25.438 1.00 0.00 ? 35 SER A HG 11 ATOM 6997 N N . GLY A 1 36 ? -8.383 -2.097 -27.677 1.00 0.00 ? 36 GLY A N 11 ATOM 6998 C CA . GLY A 1 36 ? -9.457 -2.365 -28.616 1.00 0.00 ? 36 GLY A CA 11 ATOM 6999 C C . GLY A 1 36 ? -8.962 -2.485 -30.043 1.00 0.00 ? 36 GLY A C 11 ATOM 7000 O O . GLY A 1 36 ? -8.185 -1.654 -30.511 1.00 0.00 ? 36 GLY A O 11 ATOM 7001 H H . GLY A 1 36 ? -8.206 -1.177 -27.388 1.00 0.00 ? 36 GLY A H 11 ATOM 7002 H HA2 . GLY A 1 36 ? -9.944 -3.287 -28.335 1.00 0.00 ? 36 GLY A HA2 11 ATOM 7003 H HA3 . GLY A 1 36 ? -10.175 -1.560 -28.563 1.00 0.00 ? 36 GLY A HA3 11 ATOM 7004 N N . GLY A 1 37 ? -9.412 -3.526 -30.738 1.00 0.00 ? 37 GLY A N 11 ATOM 7005 C CA . GLY A 1 37 ? -8.997 -3.734 -32.113 1.00 0.00 ? 37 GLY A CA 11 ATOM 7006 C C . GLY A 1 37 ? -7.787 -4.640 -32.223 1.00 0.00 ? 37 GLY A C 11 ATOM 7007 O O . GLY A 1 37 ? -7.710 -5.480 -33.119 1.00 0.00 ? 37 GLY A O 11 ATOM 7008 H H . GLY A 1 37 ? -10.030 -4.157 -30.314 1.00 0.00 ? 37 GLY A H 11 ATOM 7009 H HA2 . GLY A 1 37 ? -9.816 -4.177 -32.661 1.00 0.00 ? 37 GLY A HA2 11 ATOM 7010 H HA3 . GLY A 1 37 ? -8.758 -2.778 -32.554 1.00 0.00 ? 37 GLY A HA3 11 ATOM 7011 N N . GLY A 1 38 ? -6.836 -4.468 -31.310 1.00 0.00 ? 38 GLY A N 11 ATOM 7012 C CA . GLY A 1 38 ? -5.634 -5.282 -31.328 1.00 0.00 ? 38 GLY A CA 11 ATOM 7013 C C . GLY A 1 38 ? -4.448 -4.553 -31.927 1.00 0.00 ? 38 GLY A C 11 ATOM 7014 O O . GLY A 1 38 ? -4.612 -3.685 -32.784 1.00 0.00 ? 38 GLY A O 11 ATOM 7015 H H . GLY A 1 38 ? -6.951 -3.782 -30.619 1.00 0.00 ? 38 GLY A H 11 ATOM 7016 H HA2 . GLY A 1 38 ? -5.393 -5.569 -30.315 1.00 0.00 ? 38 GLY A HA2 11 ATOM 7017 H HA3 . GLY A 1 38 ? -5.825 -6.172 -31.908 1.00 0.00 ? 38 GLY A HA3 11 ATOM 7018 N N . GLY A 1 39 ? -3.249 -4.905 -31.475 1.00 0.00 ? 39 GLY A N 11 ATOM 7019 C CA . GLY A 1 39 ? -2.048 -4.267 -31.982 1.00 0.00 ? 39 GLY A CA 11 ATOM 7020 C C . GLY A 1 39 ? -0.806 -5.105 -31.754 1.00 0.00 ? 39 GLY A C 11 ATOM 7021 O O . GLY A 1 39 ? -0.869 -6.165 -31.133 1.00 0.00 ? 39 GLY A O 11 ATOM 7022 H H . GLY A 1 39 ? -3.178 -5.604 -30.791 1.00 0.00 ? 39 GLY A H 11 ATOM 7023 H HA2 . GLY A 1 39 ? -2.165 -4.095 -33.042 1.00 0.00 ? 39 GLY A HA2 11 ATOM 7024 H HA3 . GLY A 1 39 ? -1.922 -3.316 -31.486 1.00 0.00 ? 39 GLY A HA3 11 ATOM 7025 N N . SER A 1 40 ? 0.328 -4.629 -32.260 1.00 0.00 ? 40 SER A N 11 ATOM 7026 C CA . SER A 1 40 ? 1.590 -5.345 -32.113 1.00 0.00 ? 40 SER A CA 11 ATOM 7027 C C . SER A 1 40 ? 2.761 -4.480 -32.570 1.00 0.00 ? 40 SER A C 11 ATOM 7028 O O . SER A 1 40 ? 2.571 -3.448 -33.213 1.00 0.00 ? 40 SER A O 11 ATOM 7029 C CB . SER A 1 40 ? 1.559 -6.647 -32.916 1.00 0.00 ? 40 SER A CB 11 ATOM 7030 O OG . SER A 1 40 ? 2.744 -7.397 -32.717 1.00 0.00 ? 40 SER A OG 11 ATOM 7031 H H . SER A 1 40 ? 0.314 -3.778 -32.746 1.00 0.00 ? 40 SER A H 11 ATOM 7032 H HA . SER A 1 40 ? 1.718 -5.580 -31.067 1.00 0.00 ? 40 SER A HA 11 ATOM 7033 H HB2 . SER A 1 40 ? 0.714 -7.241 -32.601 1.00 0.00 ? 40 SER A HB2 11 ATOM 7034 H HB3 . SER A 1 40 ? 1.465 -6.416 -33.967 1.00 0.00 ? 40 SER A HB3 11 ATOM 7035 H HG . SER A 1 40 ? 2.720 -8.185 -33.265 1.00 0.00 ? 40 SER A HG 11 ATOM 7036 N N . TYR A 1 41 ? 3.972 -4.910 -32.233 1.00 0.00 ? 41 TYR A N 11 ATOM 7037 C CA . TYR A 1 41 ? 5.175 -4.175 -32.605 1.00 0.00 ? 41 TYR A CA 11 ATOM 7038 C C . TYR A 1 41 ? 6.080 -5.025 -33.492 1.00 0.00 ? 41 TYR A C 11 ATOM 7039 O O . TYR A 1 41 ? 5.969 -6.251 -33.518 1.00 0.00 ? 41 TYR A O 11 ATOM 7040 C CB . TYR A 1 41 ? 5.936 -3.734 -31.354 1.00 0.00 ? 41 TYR A CB 11 ATOM 7041 C CG . TYR A 1 41 ? 6.722 -2.456 -31.543 1.00 0.00 ? 41 TYR A CG 11 ATOM 7042 C CD1 . TYR A 1 41 ? 6.145 -1.218 -31.289 1.00 0.00 ? 41 TYR A CD1 11 ATOM 7043 C CD2 . TYR A 1 41 ? 8.043 -2.487 -31.973 1.00 0.00 ? 41 TYR A CD2 11 ATOM 7044 C CE1 . TYR A 1 41 ? 6.859 -0.048 -31.461 1.00 0.00 ? 41 TYR A CE1 11 ATOM 7045 C CE2 . TYR A 1 41 ? 8.765 -1.322 -32.146 1.00 0.00 ? 41 TYR A CE2 11 ATOM 7046 C CZ . TYR A 1 41 ? 8.169 -0.105 -31.889 1.00 0.00 ? 41 TYR A CZ 11 ATOM 7047 O OH . TYR A 1 41 ? 8.884 1.058 -32.060 1.00 0.00 ? 41 TYR A OH 11 ATOM 7048 H H . TYR A 1 41 ? 4.059 -5.740 -31.719 1.00 0.00 ? 41 TYR A H 11 ATOM 7049 H HA . TYR A 1 41 ? 4.870 -3.298 -33.157 1.00 0.00 ? 41 TYR A HA 11 ATOM 7050 H HB2 . TYR A 1 41 ? 5.234 -3.575 -30.551 1.00 0.00 ? 41 TYR A HB2 11 ATOM 7051 H HB3 . TYR A 1 41 ? 6.631 -4.512 -31.071 1.00 0.00 ? 41 TYR A HB3 11 ATOM 7052 H HD1 . TYR A 1 41 ? 5.119 -1.177 -30.953 1.00 0.00 ? 41 TYR A HD1 11 ATOM 7053 H HD2 . TYR A 1 41 ? 8.508 -3.442 -32.174 1.00 0.00 ? 41 TYR A HD2 11 ATOM 7054 H HE1 . TYR A 1 41 ? 6.392 0.905 -31.259 1.00 0.00 ? 41 TYR A HE1 11 ATOM 7055 H HE2 . TYR A 1 41 ? 9.791 -1.366 -32.482 1.00 0.00 ? 41 TYR A HE2 11 ATOM 7056 H HH . TYR A 1 41 ? 8.380 1.666 -32.607 1.00 0.00 ? 41 TYR A HH 11 ATOM 7057 N N . HIS A 1 42 ? 6.976 -4.364 -34.218 1.00 0.00 ? 42 HIS A N 11 ATOM 7058 C CA . HIS A 1 42 ? 7.902 -5.058 -35.106 1.00 0.00 ? 42 HIS A CA 11 ATOM 7059 C C . HIS A 1 42 ? 9.236 -5.312 -34.409 1.00 0.00 ? 42 HIS A C 11 ATOM 7060 O O . HIS A 1 42 ? 10.297 -5.235 -35.029 1.00 0.00 ? 42 HIS A O 11 ATOM 7061 C CB . HIS A 1 42 ? 8.127 -4.243 -36.380 1.00 0.00 ? 42 HIS A CB 11 ATOM 7062 C CG . HIS A 1 42 ? 8.479 -5.080 -37.572 1.00 0.00 ? 42 HIS A CG 11 ATOM 7063 N ND1 . HIS A 1 42 ? 7.612 -5.994 -38.131 1.00 0.00 ? 42 HIS A ND1 11 ATOM 7064 C CD2 . HIS A 1 42 ? 9.610 -5.134 -38.312 1.00 0.00 ? 42 HIS A CD2 11 ATOM 7065 C CE1 . HIS A 1 42 ? 8.196 -6.577 -39.163 1.00 0.00 ? 42 HIS A CE1 11 ATOM 7066 N NE2 . HIS A 1 42 ? 9.409 -6.073 -39.294 1.00 0.00 ? 42 HIS A NE2 11 ATOM 7067 H H . HIS A 1 42 ? 7.016 -3.387 -34.154 1.00 0.00 ? 42 HIS A H 11 ATOM 7068 H HA . HIS A 1 42 ? 7.461 -6.007 -35.369 1.00 0.00 ? 42 HIS A HA 11 ATOM 7069 H HB2 . HIS A 1 42 ? 7.225 -3.696 -36.614 1.00 0.00 ? 42 HIS A HB2 11 ATOM 7070 H HB3 . HIS A 1 42 ? 8.934 -3.543 -36.215 1.00 0.00 ? 42 HIS A HB3 11 ATOM 7071 H HD1 . HIS A 1 42 ? 6.704 -6.189 -37.817 1.00 0.00 ? 42 HIS A HD1 11 ATOM 7072 H HD2 . HIS A 1 42 ? 10.507 -4.549 -38.159 1.00 0.00 ? 42 HIS A HD2 11 ATOM 7073 H HE1 . HIS A 1 42 ? 7.756 -7.336 -39.792 1.00 0.00 ? 42 HIS A HE1 11 ATOM 7074 N N . CYS A 1 43 ? 9.174 -5.615 -33.117 1.00 0.00 ? 43 CYS A N 11 ATOM 7075 C CA . CYS A 1 43 ? 10.375 -5.879 -32.334 1.00 0.00 ? 43 CYS A CA 11 ATOM 7076 C C . CYS A 1 43 ? 11.097 -7.121 -32.849 1.00 0.00 ? 43 CYS A C 11 ATOM 7077 O O . CYS A 1 43 ? 10.493 -8.191 -32.902 1.00 0.00 ? 43 CYS A O 11 ATOM 7078 C CB . CYS A 1 43 ? 10.018 -6.059 -30.857 1.00 0.00 ? 43 CYS A CB 11 ATOM 7079 S SG . CYS A 1 43 ? 11.443 -5.940 -29.728 1.00 0.00 ? 43 CYS A SG 11 ATOM 7080 H H . CYS A 1 43 ? 8.298 -5.661 -32.677 1.00 0.00 ? 43 CYS A H 11 ATOM 7081 H HA . CYS A 1 43 ? 11.032 -5.028 -32.436 1.00 0.00 ? 43 CYS A HA 11 ATOM 7082 H HB2 . CYS A 1 43 ? 9.309 -5.296 -30.571 1.00 0.00 ? 43 CYS A HB2 11 ATOM 7083 H HB3 . CYS A 1 43 ? 9.569 -7.031 -30.719 1.00 0.00 ? 43 CYS A HB3 11 HETATM 7084 C C1 . NAG B 2 . ? 6.029 19.218 -20.659 1.00 0.00 ? 101 NAG A C1 11 HETATM 7085 C C2 . NAG B 2 . ? 6.469 20.329 -19.704 1.00 0.00 ? 101 NAG A C2 11 HETATM 7086 C C3 . NAG B 2 . ? 6.864 21.564 -20.519 1.00 0.00 ? 101 NAG A C3 11 HETATM 7087 C C4 . NAG B 2 . ? 7.905 21.150 -21.565 1.00 0.00 ? 101 NAG A C4 11 HETATM 7088 C C5 . NAG B 2 . ? 7.356 19.976 -22.379 1.00 0.00 ? 101 NAG A C5 11 HETATM 7089 C C6 . NAG B 2 . ? 8.378 19.577 -23.447 1.00 0.00 ? 101 NAG A C6 11 HETATM 7090 C C7 . NAG B 2 . ? 5.231 20.026 -17.627 1.00 0.00 ? 101 NAG A C7 11 HETATM 7091 C C8 . NAG B 2 . ? 4.095 20.375 -16.702 1.00 0.00 ? 101 NAG A C8 11 HETATM 7092 N N2 . NAG B 2 . ? 5.365 20.669 -18.804 1.00 0.00 ? 101 NAG A N2 11 HETATM 7093 O O3 . NAG B 2 . ? 7.420 22.559 -19.658 1.00 0.00 ? 101 NAG A O3 11 HETATM 7094 O O4 . NAG B 2 . ? 8.178 22.249 -22.435 1.00 0.00 ? 101 NAG A O4 11 HETATM 7095 O O5 . NAG B 2 . ? 7.109 18.865 -21.520 1.00 0.00 ? 101 NAG A O5 11 HETATM 7096 O O6 . NAG B 2 . ? 7.865 18.486 -24.212 1.00 0.00 ? 101 NAG A O6 11 HETATM 7097 O O7 . NAG B 2 . ? 6.026 19.166 -17.313 1.00 0.00 ? 101 NAG A O7 11 HETATM 7098 H H1 . NAG B 2 . ? 5.183 19.574 -21.265 1.00 0.00 ? 101 NAG A H1 11 HETATM 7099 H H2 . NAG B 2 . ? 7.329 19.986 -19.109 1.00 0.00 ? 101 NAG A H2 11 HETATM 7100 H H3 . NAG B 2 . ? 5.975 21.981 -21.016 1.00 0.00 ? 101 NAG A H3 11 HETATM 7101 H H4 . NAG B 2 . ? 8.836 20.850 -21.060 1.00 0.00 ? 101 NAG A H4 11 HETATM 7102 H H5 . NAG B 2 . ? 6.415 20.277 -22.862 1.00 0.00 ? 101 NAG A H5 11 HETATM 7103 H H61 . NAG B 2 . ? 8.590 20.434 -24.105 1.00 0.00 ? 101 NAG A H61 11 HETATM 7104 H H62 . NAG B 2 . ? 9.328 19.292 -22.971 1.00 0.00 ? 101 NAG A H62 11 HETATM 7105 H H81 . NAG B 2 . ? 3.897 21.456 -16.756 1.00 0.00 ? 101 NAG A H81 11 HETATM 7106 H H82 . NAG B 2 . ? 3.193 19.822 -17.002 1.00 0.00 ? 101 NAG A H82 11 HETATM 7107 H H83 . NAG B 2 . ? 4.364 20.103 -15.670 1.00 0.00 ? 101 NAG A H83 11 HETATM 7108 H HN2 . NAG B 2 . ? 4.710 21.378 -19.063 1.00 0.00 ? 101 NAG A HN2 11 HETATM 7109 H HO3 . NAG B 2 . ? 7.677 23.362 -20.197 1.00 0.00 ? 101 NAG A HO3 11 HETATM 7110 H HO4 . NAG B 2 . ? 9.121 22.189 -22.764 1.00 0.00 ? 101 NAG A HO4 11 HETATM 7111 H HO6 . NAG B 2 . ? 7.338 17.879 -23.617 1.00 0.00 ? 101 NAG A HO6 11 HETATM 7112 C C1 . NAG C 2 . ? 13.186 -6.672 -29.115 1.00 0.00 ? 102 NAG A C1 11 HETATM 7113 C C2 . NAG C 2 . ? 14.243 -7.598 -28.512 1.00 0.00 ? 102 NAG A C2 11 HETATM 7114 C C3 . NAG C 2 . ? 15.494 -6.780 -28.177 1.00 0.00 ? 102 NAG A C3 11 HETATM 7115 C C4 . NAG C 2 . ? 15.932 -6.017 -29.433 1.00 0.00 ? 102 NAG A C4 11 HETATM 7116 C C5 . NAG C 2 . ? 14.746 -5.211 -29.967 1.00 0.00 ? 102 NAG A C5 11 HETATM 7117 C C6 . NAG C 2 . ? 15.184 -4.421 -31.202 1.00 0.00 ? 102 NAG A C6 11 HETATM 7118 C C7 . NAG C 2 . ? 13.059 -9.385 -27.354 1.00 0.00 ? 102 NAG A C7 11 HETATM 7119 C C8 . NAG C 2 . ? 12.519 -10.017 -26.097 1.00 0.00 ? 102 NAG A C8 11 HETATM 7120 N N2 . NAG C 2 . ? 13.718 -8.212 -27.290 1.00 0.00 ? 102 NAG A N2 11 HETATM 7121 O O3 . NAG C 2 . ? 16.546 -7.649 -27.754 1.00 0.00 ? 102 NAG A O3 11 HETATM 7122 O O4 . NAG C 2 . ? 17.005 -5.132 -29.109 1.00 0.00 ? 102 NAG A O4 11 HETATM 7123 O O5 . NAG C 2 . ? 13.682 -6.092 -30.319 1.00 0.00 ? 102 NAG A O5 11 HETATM 7124 O O6 . NAG C 2 . ? 14.080 -3.663 -31.699 1.00 0.00 ? 102 NAG A O6 11 HETATM 7125 O O7 . NAG C 2 . ? 12.900 -9.933 -28.424 1.00 0.00 ? 102 NAG A O7 11 HETATM 7126 H H1 . NAG C 2 . ? 12.951 -5.872 -28.397 1.00 0.00 ? 102 NAG A H1 11 HETATM 7127 H H2 . NAG C 2 . ? 14.498 -8.388 -29.234 1.00 0.00 ? 102 NAG A H2 11 HETATM 7128 H H3 . NAG C 2 . ? 15.270 -6.073 -27.365 1.00 0.00 ? 102 NAG A H3 11 HETATM 7129 H H4 . NAG C 2 . ? 16.272 -6.731 -30.198 1.00 0.00 ? 102 NAG A H4 11 HETATM 7130 H H5 . NAG C 2 . ? 14.399 -4.516 -29.188 1.00 0.00 ? 102 NAG A H5 11 HETATM 7131 H H61 . NAG C 2 . ? 16.019 -3.751 -30.946 1.00 0.00 ? 102 NAG A H61 11 HETATM 7132 H H62 . NAG C 2 . ? 15.551 -5.109 -31.979 1.00 0.00 ? 102 NAG A H62 11 HETATM 7133 H H81 . NAG C 2 . ? 11.574 -10.531 -26.322 1.00 0.00 ? 102 NAG A H81 11 HETATM 7134 H H82 . NAG C 2 . ? 13.248 -10.744 -25.710 1.00 0.00 ? 102 NAG A H82 11 HETATM 7135 H H83 . NAG C 2 . ? 12.342 -9.238 -25.341 1.00 0.00 ? 102 NAG A H83 11 HETATM 7136 H HN2 . NAG C 2 . ? 13.850 -7.760 -26.408 1.00 0.00 ? 102 NAG A HN2 11 HETATM 7137 H HO3 . NAG C 2 . ? 17.360 -7.109 -27.539 1.00 0.00 ? 102 NAG A HO3 11 HETATM 7138 H HO4 . NAG C 2 . ? 17.595 -5.016 -29.908 1.00 0.00 ? 102 NAG A HO4 11 HETATM 7139 H HO6 . NAG C 2 . ? 13.235 -4.184 -31.578 1.00 0.00 ? 102 NAG A HO6 11 ATOM 7140 N N . LYS A 1 1 ? 1.531 -2.308 -4.599 1.00 0.00 ? 1 LYS A N 12 ATOM 7141 C CA . LYS A 1 1 ? 2.138 -1.628 -5.737 1.00 0.00 ? 1 LYS A CA 12 ATOM 7142 C C . LYS A 1 1 ? 3.658 -1.615 -5.615 1.00 0.00 ? 1 LYS A C 12 ATOM 7143 O O . LYS A 1 1 ? 4.218 -1.696 -4.521 1.00 0.00 ? 1 LYS A O 12 ATOM 7144 C CB . LYS A 1 1 ? 1.612 -0.195 -5.842 1.00 0.00 ? 1 LYS A CB 12 ATOM 7145 C CG . LYS A 1 1 ? 1.789 0.613 -4.569 1.00 0.00 ? 1 LYS A CG 12 ATOM 7146 C CD . LYS A 1 1 ? 0.690 1.649 -4.408 1.00 0.00 ? 1 LYS A CD 12 ATOM 7147 C CE . LYS A 1 1 ? -0.535 1.061 -3.724 1.00 0.00 ? 1 LYS A CE 12 ATOM 7148 N NZ . LYS A 1 1 ? -1.506 0.506 -4.706 1.00 0.00 ? 1 LYS A NZ 12 ATOM 7149 H H1 . LYS A 1 1 ? 0.629 -2.683 -4.692 1.00 0.00 ? 1 LYS A H1 12 ATOM 7150 H HA . LYS A 1 1 ? 1.865 -2.169 -6.631 1.00 0.00 ? 1 LYS A HA 12 ATOM 7151 H HB2 . LYS A 1 1 ? 2.135 0.310 -6.641 1.00 0.00 ? 1 LYS A HB2 12 ATOM 7152 H HB3 . LYS A 1 1 ? 0.558 -0.228 -6.079 1.00 0.00 ? 1 LYS A HB3 12 ATOM 7153 H HG2 . LYS A 1 1 ? 1.765 -0.056 -3.722 1.00 0.00 ? 1 LYS A HG2 12 ATOM 7154 H HG3 . LYS A 1 1 ? 2.745 1.117 -4.604 1.00 0.00 ? 1 LYS A HG3 12 ATOM 7155 H HD2 . LYS A 1 1 ? 1.063 2.468 -3.811 1.00 0.00 ? 1 LYS A HD2 12 ATOM 7156 H HD3 . LYS A 1 1 ? 0.405 2.014 -5.385 1.00 0.00 ? 1 LYS A HD3 12 ATOM 7157 H HE2 . LYS A 1 1 ? -0.216 0.272 -3.060 1.00 0.00 ? 1 LYS A HE2 12 ATOM 7158 H HE3 . LYS A 1 1 ? -1.019 1.839 -3.151 1.00 0.00 ? 1 LYS A HE3 12 ATOM 7159 H HZ1 . LYS A 1 1 ? -2.473 0.794 -4.455 1.00 0.00 ? 1 LYS A HZ1 12 ATOM 7160 H HZ2 . LYS A 1 1 ? -1.455 -0.533 -4.711 1.00 0.00 ? 1 LYS A HZ2 12 ATOM 7161 H HZ3 . LYS A 1 1 ? -1.289 0.857 -5.661 1.00 0.00 ? 1 LYS A HZ3 12 ATOM 7162 N N . PRO A 1 2 ? 4.344 -1.510 -6.763 1.00 0.00 ? 2 PRO A N 12 ATOM 7163 C CA . PRO A 1 2 ? 5.809 -1.481 -6.809 1.00 0.00 ? 2 PRO A CA 12 ATOM 7164 C C . PRO A 1 2 ? 6.383 -0.191 -6.234 1.00 0.00 ? 2 PRO A C 12 ATOM 7165 O O . PRO A 1 2 ? 5.660 0.612 -5.644 1.00 0.00 ? 2 PRO A O 12 ATOM 7166 C CB . PRO A 1 2 ? 6.118 -1.583 -8.305 1.00 0.00 ? 2 PRO A CB 12 ATOM 7167 C CG . PRO A 1 2 ? 4.907 -1.040 -8.980 1.00 0.00 ? 2 PRO A CG 12 ATOM 7168 C CD . PRO A 1 2 ? 3.743 -1.409 -8.103 1.00 0.00 ? 2 PRO A CD 12 ATOM 7169 H HA . PRO A 1 2 ? 6.239 -2.327 -6.293 1.00 0.00 ? 2 PRO A HA 12 ATOM 7170 H HB2 . PRO A 1 2 ? 6.996 -0.996 -8.535 1.00 0.00 ? 2 PRO A HB2 12 ATOM 7171 H HB3 . PRO A 1 2 ? 6.289 -2.615 -8.571 1.00 0.00 ? 2 PRO A HB3 12 ATOM 7172 H HG2 . PRO A 1 2 ? 4.985 0.033 -9.067 1.00 0.00 ? 2 PRO A HG2 12 ATOM 7173 H HG3 . PRO A 1 2 ? 4.798 -1.490 -9.956 1.00 0.00 ? 2 PRO A HG3 12 ATOM 7174 H HD2 . PRO A 1 2 ? 2.989 -0.636 -8.130 1.00 0.00 ? 2 PRO A HD2 12 ATOM 7175 H HD3 . PRO A 1 2 ? 3.325 -2.357 -8.409 1.00 0.00 ? 2 PRO A HD3 12 ATOM 7176 N N . ALA A 1 3 ? 7.686 0.002 -6.409 1.00 0.00 ? 3 ALA A N 12 ATOM 7177 C CA . ALA A 1 3 ? 8.355 1.197 -5.910 1.00 0.00 ? 3 ALA A CA 12 ATOM 7178 C C . ALA A 1 3 ? 8.334 2.313 -6.948 1.00 0.00 ? 3 ALA A C 12 ATOM 7179 O O . ALA A 1 3 ? 9.018 3.326 -6.799 1.00 0.00 ? 3 ALA A O 12 ATOM 7180 C CB . ALA A 1 3 ? 9.787 0.871 -5.511 1.00 0.00 ? 3 ALA A CB 12 ATOM 7181 H H . ALA A 1 3 ? 8.209 -0.674 -6.888 1.00 0.00 ? 3 ALA A H 12 ATOM 7182 H HA . ALA A 1 3 ? 7.829 1.530 -5.027 1.00 0.00 ? 3 ALA A HA 12 ATOM 7183 H HB1 . ALA A 1 3 ? 9.808 -0.073 -4.987 1.00 0.00 ? 3 ALA A HB1 12 ATOM 7184 H HB2 . ALA A 1 3 ? 10.401 0.807 -6.397 1.00 0.00 ? 3 ALA A HB2 12 ATOM 7185 H HB3 . ALA A 1 3 ? 10.166 1.649 -4.865 1.00 0.00 ? 3 ALA A HB3 12 ATOM 7186 N N . TRP A 1 4 ? 7.545 2.122 -7.999 1.00 0.00 ? 4 TRP A N 12 ATOM 7187 C CA . TRP A 1 4 ? 7.436 3.114 -9.063 1.00 0.00 ? 4 TRP A CA 12 ATOM 7188 C C . TRP A 1 4 ? 6.183 3.964 -8.887 1.00 0.00 ? 4 TRP A C 12 ATOM 7189 O O . TRP A 1 4 ? 6.210 5.178 -9.093 1.00 0.00 ? 4 TRP A O 12 ATOM 7190 C CB . TRP A 1 4 ? 7.413 2.426 -10.429 1.00 0.00 ? 4 TRP A CB 12 ATOM 7191 C CG . TRP A 1 4 ? 8.066 1.077 -10.426 1.00 0.00 ? 4 TRP A CG 12 ATOM 7192 C CD1 . TRP A 1 4 ? 9.271 0.751 -9.870 1.00 0.00 ? 4 TRP A CD1 12 ATOM 7193 C CD2 . TRP A 1 4 ? 7.551 -0.126 -11.007 1.00 0.00 ? 4 TRP A CD2 12 ATOM 7194 N NE1 . TRP A 1 4 ? 9.535 -0.582 -10.071 1.00 0.00 ? 4 TRP A NE1 12 ATOM 7195 C CE2 . TRP A 1 4 ? 8.496 -1.143 -10.765 1.00 0.00 ? 4 TRP A CE2 12 ATOM 7196 C CE3 . TRP A 1 4 ? 6.384 -0.444 -11.706 1.00 0.00 ? 4 TRP A CE3 12 ATOM 7197 C CZ2 . TRP A 1 4 ? 8.307 -2.452 -11.199 1.00 0.00 ? 4 TRP A CZ2 12 ATOM 7198 C CZ3 . TRP A 1 4 ? 6.198 -1.744 -12.136 1.00 0.00 ? 4 TRP A CZ3 12 ATOM 7199 C CH2 . TRP A 1 4 ? 7.155 -2.735 -11.881 1.00 0.00 ? 4 TRP A CH2 12 ATOM 7200 H H . TRP A 1 4 ? 7.023 1.294 -8.062 1.00 0.00 ? 4 TRP A H 12 ATOM 7201 H HA . TRP A 1 4 ? 8.303 3.755 -9.007 1.00 0.00 ? 4 TRP A HA 12 ATOM 7202 H HB2 . TRP A 1 4 ? 6.388 2.299 -10.744 1.00 0.00 ? 4 TRP A HB2 12 ATOM 7203 H HB3 . TRP A 1 4 ? 7.932 3.047 -11.145 1.00 0.00 ? 4 TRP A HB3 12 ATOM 7204 H HD1 . TRP A 1 4 ? 9.911 1.450 -9.354 1.00 0.00 ? 4 TRP A HD1 12 ATOM 7205 H HE1 . TRP A 1 4 ? 10.338 -1.055 -9.765 1.00 0.00 ? 4 TRP A HE1 12 ATOM 7206 H HE3 . TRP A 1 4 ? 5.635 0.307 -11.912 1.00 0.00 ? 4 TRP A HE3 12 ATOM 7207 H HZ2 . TRP A 1 4 ? 9.035 -3.228 -11.010 1.00 0.00 ? 4 TRP A HZ2 12 ATOM 7208 H HZ3 . TRP A 1 4 ? 5.302 -2.008 -12.678 1.00 0.00 ? 4 TRP A HZ3 12 ATOM 7209 H HH2 . TRP A 1 4 ? 6.968 -3.737 -12.236 1.00 0.00 ? 4 TRP A HH2 12 ATOM 7210 N N . CYS A 1 5 ? 5.084 3.321 -8.506 1.00 0.00 ? 5 CYS A N 12 ATOM 7211 C CA . CYS A 1 5 ? 3.821 4.019 -8.303 1.00 0.00 ? 5 CYS A CA 12 ATOM 7212 C C . CYS A 1 5 ? 3.709 4.536 -6.871 1.00 0.00 ? 5 CYS A C 12 ATOM 7213 O O . CYS A 1 5 ? 4.683 4.524 -6.119 1.00 0.00 ? 5 CYS A O 12 ATOM 7214 C CB . CYS A 1 5 ? 2.646 3.089 -8.614 1.00 0.00 ? 5 CYS A CB 12 ATOM 7215 S SG . CYS A 1 5 ? 2.854 2.112 -10.137 1.00 0.00 ? 5 CYS A SG 12 ATOM 7216 H H . CYS A 1 5 ? 5.125 2.352 -8.357 1.00 0.00 ? 5 CYS A H 12 ATOM 7217 H HA . CYS A 1 5 ? 3.793 4.859 -8.979 1.00 0.00 ? 5 CYS A HA 12 ATOM 7218 H HB2 . CYS A 1 5 ? 2.518 2.397 -7.795 1.00 0.00 ? 5 CYS A HB2 12 ATOM 7219 H HB3 . CYS A 1 5 ? 1.748 3.680 -8.722 1.00 0.00 ? 5 CYS A HB3 12 ATOM 7220 N N . TRP A 1 6 ? 2.515 4.988 -6.504 1.00 0.00 ? 6 TRP A N 12 ATOM 7221 C CA . TRP A 1 6 ? 2.276 5.510 -5.163 1.00 0.00 ? 6 TRP A CA 12 ATOM 7222 C C . TRP A 1 6 ? 0.858 5.193 -4.701 1.00 0.00 ? 6 TRP A C 12 ATOM 7223 O O . TRP A 1 6 ? 0.647 4.760 -3.568 1.00 0.00 ? 6 TRP A O 12 ATOM 7224 C CB . TRP A 1 6 ? 2.510 7.021 -5.132 1.00 0.00 ? 6 TRP A CB 12 ATOM 7225 C CG . TRP A 1 6 ? 3.259 7.481 -3.918 1.00 0.00 ? 6 TRP A CG 12 ATOM 7226 C CD1 . TRP A 1 6 ? 4.567 7.871 -3.860 1.00 0.00 ? 6 TRP A CD1 12 ATOM 7227 C CD2 . TRP A 1 6 ? 2.745 7.598 -2.587 1.00 0.00 ? 6 TRP A CD2 12 ATOM 7228 N NE1 . TRP A 1 6 ? 4.896 8.222 -2.573 1.00 0.00 ? 6 TRP A NE1 12 ATOM 7229 C CE2 . TRP A 1 6 ? 3.796 8.064 -1.773 1.00 0.00 ? 6 TRP A CE2 12 ATOM 7230 C CE3 . TRP A 1 6 ? 1.498 7.355 -2.003 1.00 0.00 ? 6 TRP A CE3 12 ATOM 7231 C CZ2 . TRP A 1 6 ? 3.636 8.291 -0.409 1.00 0.00 ? 6 TRP A CZ2 12 ATOM 7232 C CZ3 . TRP A 1 6 ? 1.342 7.580 -0.649 1.00 0.00 ? 6 TRP A CZ3 12 ATOM 7233 C CH2 . TRP A 1 6 ? 2.405 8.045 0.136 1.00 0.00 ? 6 TRP A CH2 12 ATOM 7234 H H . TRP A 1 6 ? 1.778 4.972 -7.149 1.00 0.00 ? 6 TRP A H 12 ATOM 7235 H HA . TRP A 1 6 ? 2.976 5.032 -4.493 1.00 0.00 ? 6 TRP A HA 12 ATOM 7236 H HB2 . TRP A 1 6 ? 3.079 7.309 -6.003 1.00 0.00 ? 6 TRP A HB2 12 ATOM 7237 H HB3 . TRP A 1 6 ? 1.555 7.526 -5.146 1.00 0.00 ? 6 TRP A HB3 12 ATOM 7238 H HD1 . TRP A 1 6 ? 5.232 7.892 -4.709 1.00 0.00 ? 6 TRP A HD1 12 ATOM 7239 H HE1 . TRP A 1 6 ? 5.776 8.537 -2.277 1.00 0.00 ? 6 TRP A HE1 12 ATOM 7240 H HE3 . TRP A 1 6 ? 0.666 6.997 -2.591 1.00 0.00 ? 6 TRP A HE3 12 ATOM 7241 H HZ2 . TRP A 1 6 ? 4.446 8.650 0.210 1.00 0.00 ? 6 TRP A HZ2 12 ATOM 7242 H HZ3 . TRP A 1 6 ? 0.386 7.398 -0.180 1.00 0.00 ? 6 TRP A HZ3 12 ATOM 7243 H HH2 . TRP A 1 6 ? 2.238 8.207 1.190 1.00 0.00 ? 6 TRP A HH2 12 ATOM 7244 N N . TYR A 1 7 ? -0.110 5.411 -5.584 1.00 0.00 ? 7 TYR A N 12 ATOM 7245 C CA . TYR A 1 7 ? -1.509 5.151 -5.265 1.00 0.00 ? 7 TYR A CA 12 ATOM 7246 C C . TYR A 1 7 ? -2.408 5.479 -6.452 1.00 0.00 ? 7 TYR A C 12 ATOM 7247 O O . TYR A 1 7 ? -1.934 5.670 -7.573 1.00 0.00 ? 7 TYR A O 12 ATOM 7248 C CB . TYR A 1 7 ? -1.936 5.969 -4.045 1.00 0.00 ? 7 TYR A CB 12 ATOM 7249 C CG . TYR A 1 7 ? -2.756 5.183 -3.047 1.00 0.00 ? 7 TYR A CG 12 ATOM 7250 C CD1 . TYR A 1 7 ? -2.229 4.067 -2.410 1.00 0.00 ? 7 TYR A CD1 12 ATOM 7251 C CD2 . TYR A 1 7 ? -4.058 5.559 -2.739 1.00 0.00 ? 7 TYR A CD2 12 ATOM 7252 C CE1 . TYR A 1 7 ? -2.975 3.346 -1.498 1.00 0.00 ? 7 TYR A CE1 12 ATOM 7253 C CE2 . TYR A 1 7 ? -4.811 4.845 -1.827 1.00 0.00 ? 7 TYR A CE2 12 ATOM 7254 C CZ . TYR A 1 7 ? -4.265 3.739 -1.210 1.00 0.00 ? 7 TYR A CZ 12 ATOM 7255 O OH . TYR A 1 7 ? -5.011 3.024 -0.300 1.00 0.00 ? 7 TYR A OH 12 ATOM 7256 H H . TYR A 1 7 ? 0.121 5.758 -6.471 1.00 0.00 ? 7 TYR A H 12 ATOM 7257 H HA . TYR A 1 7 ? -1.606 4.100 -5.034 1.00 0.00 ? 7 TYR A HA 12 ATOM 7258 H HB2 . TYR A 1 7 ? -1.056 6.332 -3.537 1.00 0.00 ? 7 TYR A HB2 12 ATOM 7259 H HB3 . TYR A 1 7 ? -2.530 6.809 -4.374 1.00 0.00 ? 7 TYR A HB3 12 ATOM 7260 H HD1 . TYR A 1 7 ? -1.218 3.762 -2.638 1.00 0.00 ? 7 TYR A HD1 12 ATOM 7261 H HD2 . TYR A 1 7 ? -4.483 6.425 -3.225 1.00 0.00 ? 7 TYR A HD2 12 ATOM 7262 H HE1 . TYR A 1 7 ? -2.547 2.480 -1.014 1.00 0.00 ? 7 TYR A HE1 12 ATOM 7263 H HE2 . TYR A 1 7 ? -5.822 5.152 -1.601 1.00 0.00 ? 7 TYR A HE2 12 ATOM 7264 H HH . TYR A 1 7 ? -5.933 3.032 -0.567 1.00 0.00 ? 7 TYR A HH 12 ATOM 7265 N N . THR A 1 8 ? -3.712 5.545 -6.199 1.00 0.00 ? 8 THR A N 12 ATOM 7266 C CA . THR A 1 8 ? -4.680 5.849 -7.245 1.00 0.00 ? 8 THR A CA 12 ATOM 7267 C C . THR A 1 8 ? -5.053 7.327 -7.234 1.00 0.00 ? 8 THR A C 12 ATOM 7268 O O . THR A 1 8 ? -6.132 7.709 -7.690 1.00 0.00 ? 8 THR A O 12 ATOM 7269 C CB . THR A 1 8 ? -5.960 5.007 -7.088 1.00 0.00 ? 8 THR A CB 12 ATOM 7270 O OG1 . THR A 1 8 ? -5.624 3.677 -6.676 1.00 0.00 ? 8 THR A OG1 12 ATOM 7271 C CG2 . THR A 1 8 ? -6.738 4.957 -8.394 1.00 0.00 ? 8 THR A CG2 12 ATOM 7272 H H . THR A 1 8 ? -4.029 5.383 -5.285 1.00 0.00 ? 8 THR A H 12 ATOM 7273 H HA . THR A 1 8 ? -4.229 5.608 -8.196 1.00 0.00 ? 8 THR A HA 12 ATOM 7274 H HB . THR A 1 8 ? -6.583 5.463 -6.332 1.00 0.00 ? 8 THR A HB 12 ATOM 7275 H HG1 . THR A 1 8 ? -4.893 3.352 -7.208 1.00 0.00 ? 8 THR A HG1 12 ATOM 7276 H HG21 . THR A 1 8 ? -7.672 5.487 -8.277 1.00 0.00 ? 8 THR A HG21 12 ATOM 7277 H HG22 . THR A 1 8 ? -6.939 3.929 -8.655 1.00 0.00 ? 8 THR A HG22 12 ATOM 7278 H HG23 . THR A 1 8 ? -6.157 5.421 -9.177 1.00 0.00 ? 8 THR A HG23 12 ATOM 7279 N N . LEU A 1 9 ? -4.156 8.156 -6.713 1.00 0.00 ? 9 LEU A N 12 ATOM 7280 C CA . LEU A 1 9 ? -4.391 9.594 -6.644 1.00 0.00 ? 9 LEU A CA 12 ATOM 7281 C C . LEU A 1 9 ? -4.578 10.182 -8.039 1.00 0.00 ? 9 LEU A C 12 ATOM 7282 O O . LEU A 1 9 ? -5.272 11.184 -8.213 1.00 0.00 ? 9 LEU A O 12 ATOM 7283 C CB . LEU A 1 9 ? -3.225 10.288 -5.938 1.00 0.00 ? 9 LEU A CB 12 ATOM 7284 C CG . LEU A 1 9 ? -3.387 10.509 -4.434 1.00 0.00 ? 9 LEU A CG 12 ATOM 7285 C CD1 . LEU A 1 9 ? -4.564 11.428 -4.153 1.00 0.00 ? 9 LEU A CD1 12 ATOM 7286 C CD2 . LEU A 1 9 ? -3.563 9.178 -3.716 1.00 0.00 ? 9 LEU A CD2 12 ATOM 7287 H H . LEU A 1 9 ? -3.314 7.793 -6.366 1.00 0.00 ? 9 LEU A H 12 ATOM 7288 H HA . LEU A 1 9 ? -5.294 9.755 -6.074 1.00 0.00 ? 9 LEU A HA 12 ATOM 7289 H HB2 . LEU A 1 9 ? -2.341 9.688 -6.091 1.00 0.00 ? 9 LEU A HB2 12 ATOM 7290 H HB3 . LEU A 1 9 ? -3.086 11.254 -6.402 1.00 0.00 ? 9 LEU A HB3 12 ATOM 7291 H HG . LEU A 1 9 ? -2.494 10.982 -4.048 1.00 0.00 ? 9 LEU A HG 12 ATOM 7292 H HD11 . LEU A 1 9 ? -4.335 12.059 -3.307 1.00 0.00 ? 9 LEU A HD11 12 ATOM 7293 H HD12 . LEU A 1 9 ? -5.440 10.835 -3.932 1.00 0.00 ? 9 LEU A HD12 12 ATOM 7294 H HD13 . LEU A 1 9 ? -4.756 12.043 -5.020 1.00 0.00 ? 9 LEU A HD13 12 ATOM 7295 H HD21 . LEU A 1 9 ? -2.611 8.673 -3.655 1.00 0.00 ? 9 LEU A HD21 12 ATOM 7296 H HD22 . LEU A 1 9 ? -4.262 8.564 -4.264 1.00 0.00 ? 9 LEU A HD22 12 ATOM 7297 H HD23 . LEU A 1 9 ? -3.942 9.355 -2.720 1.00 0.00 ? 9 LEU A HD23 12 ATOM 7298 N N . ALA A 1 10 ? -3.957 9.551 -9.030 1.00 0.00 ? 10 ALA A N 12 ATOM 7299 C CA . ALA A 1 10 ? -4.059 10.009 -10.410 1.00 0.00 ? 10 ALA A CA 12 ATOM 7300 C C . ALA A 1 10 ? -3.423 11.385 -10.580 1.00 0.00 ? 10 ALA A C 12 ATOM 7301 O O . ALA A 1 10 ? -4.102 12.356 -10.912 1.00 0.00 ? 10 ALA A O 12 ATOM 7302 C CB . ALA A 1 10 ? -5.516 10.041 -10.849 1.00 0.00 ? 10 ALA A CB 12 ATOM 7303 H H . ALA A 1 10 ? -3.419 8.758 -8.829 1.00 0.00 ? 10 ALA A H 12 ATOM 7304 H HA . ALA A 1 10 ? -3.535 9.302 -11.037 1.00 0.00 ? 10 ALA A HA 12 ATOM 7305 H HB1 . ALA A 1 10 ? -6.032 9.183 -10.444 1.00 0.00 ? 10 ALA A HB1 12 ATOM 7306 H HB2 . ALA A 1 10 ? -5.981 10.946 -10.488 1.00 0.00 ? 10 ALA A HB2 12 ATOM 7307 H HB3 . ALA A 1 10 ? -5.567 10.016 -11.928 1.00 0.00 ? 10 ALA A HB3 12 ATOM 7308 N N . MET A 1 11 ? -2.117 11.460 -10.351 1.00 0.00 ? 11 MET A N 12 ATOM 7309 C CA . MET A 1 11 ? -1.389 12.718 -10.479 1.00 0.00 ? 11 MET A CA 12 ATOM 7310 C C . MET A 1 11 ? -1.324 13.161 -11.937 1.00 0.00 ? 11 MET A C 12 ATOM 7311 O O . MET A 1 11 ? -2.026 14.086 -12.348 1.00 0.00 ? 11 MET A O 12 ATOM 7312 C CB . MET A 1 11 ? 0.025 12.574 -9.914 1.00 0.00 ? 11 MET A CB 12 ATOM 7313 C CG . MET A 1 11 ? 0.059 12.367 -8.408 1.00 0.00 ? 11 MET A CG 12 ATOM 7314 S SD . MET A 1 11 ? 1.729 12.104 -7.781 1.00 0.00 ? 11 MET A SD 12 ATOM 7315 C CE . MET A 1 11 ? 1.806 10.314 -7.765 1.00 0.00 ? 11 MET A CE 12 ATOM 7316 H H . MET A 1 11 ? -1.629 10.651 -10.089 1.00 0.00 ? 11 MET A H 12 ATOM 7317 H HA . MET A 1 11 ? -1.920 13.467 -9.911 1.00 0.00 ? 11 MET A HA 12 ATOM 7318 H HB2 . MET A 1 11 ? 0.503 11.727 -10.383 1.00 0.00 ? 11 MET A HB2 12 ATOM 7319 H HB3 . MET A 1 11 ? 0.585 13.467 -10.145 1.00 0.00 ? 11 MET A HB3 12 ATOM 7320 H HG2 . MET A 1 11 ? -0.356 13.241 -7.928 1.00 0.00 ? 11 MET A HG2 12 ATOM 7321 H HG3 . MET A 1 11 ? -0.543 11.505 -8.164 1.00 0.00 ? 11 MET A HG3 12 ATOM 7322 H HE1 . MET A 1 11 ? 0.989 9.914 -8.347 1.00 0.00 ? 11 MET A HE1 12 ATOM 7323 H HE2 . MET A 1 11 ? 2.744 9.991 -8.192 1.00 0.00 ? 11 MET A HE2 12 ATOM 7324 H HE3 . MET A 1 11 ? 1.732 9.960 -6.748 1.00 0.00 ? 11 MET A HE3 12 ATOM 7325 N N . CYS A 1 12 ? -0.477 12.496 -12.716 1.00 0.00 ? 12 CYS A N 12 ATOM 7326 C CA . CYS A 1 12 ? -0.319 12.822 -14.128 1.00 0.00 ? 12 CYS A CA 12 ATOM 7327 C C . CYS A 1 12 ? -1.672 12.858 -14.833 1.00 0.00 ? 12 CYS A C 12 ATOM 7328 O O . CYS A 1 12 ? -2.634 12.237 -14.384 1.00 0.00 ? 12 CYS A O 12 ATOM 7329 C CB . CYS A 1 12 ? 0.596 11.802 -14.809 1.00 0.00 ? 12 CYS A CB 12 ATOM 7330 S SG . CYS A 1 12 ? -0.182 10.179 -15.093 1.00 0.00 ? 12 CYS A SG 12 ATOM 7331 H H . CYS A 1 12 ? 0.056 11.768 -12.331 1.00 0.00 ? 12 CYS A H 12 ATOM 7332 H HA . CYS A 1 12 ? 0.134 13.799 -14.195 1.00 0.00 ? 12 CYS A HA 12 ATOM 7333 H HB2 . CYS A 1 12 ? 0.904 12.190 -15.769 1.00 0.00 ? 12 CYS A HB2 12 ATOM 7334 H HB3 . CYS A 1 12 ? 1.469 11.645 -14.193 1.00 0.00 ? 12 CYS A HB3 12 ATOM 7335 N N . GLY A 1 13 ? -1.737 13.591 -15.940 1.00 0.00 ? 13 GLY A N 12 ATOM 7336 C CA . GLY A 1 13 ? -2.975 13.695 -16.689 1.00 0.00 ? 13 GLY A CA 12 ATOM 7337 C C . GLY A 1 13 ? -3.808 14.890 -16.269 1.00 0.00 ? 13 GLY A C 12 ATOM 7338 O O . GLY A 1 13 ? -4.657 15.360 -17.026 1.00 0.00 ? 13 GLY A O 12 ATOM 7339 H H . GLY A 1 13 ? -0.937 14.065 -16.251 1.00 0.00 ? 13 GLY A H 12 ATOM 7340 H HA2 . GLY A 1 13 ? -2.742 13.783 -17.740 1.00 0.00 ? 13 GLY A HA2 12 ATOM 7341 H HA3 . GLY A 1 13 ? -3.553 12.796 -16.534 1.00 0.00 ? 13 GLY A HA3 12 ATOM 7342 N N . ALA A 1 14 ? -3.567 15.381 -15.058 1.00 0.00 ? 14 ALA A N 12 ATOM 7343 C CA . ALA A 1 14 ? -4.301 16.528 -14.539 1.00 0.00 ? 14 ALA A CA 12 ATOM 7344 C C . ALA A 1 14 ? -3.400 17.753 -14.430 1.00 0.00 ? 14 ALA A C 12 ATOM 7345 O O . ALA A 1 14 ? -3.654 18.654 -13.632 1.00 0.00 ? 14 ALA A O 12 ATOM 7346 C CB . ALA A 1 14 ? -4.910 16.196 -13.185 1.00 0.00 ? 14 ALA A CB 12 ATOM 7347 H H . ALA A 1 14 ? -2.878 14.963 -14.501 1.00 0.00 ? 14 ALA A H 12 ATOM 7348 H HA . ALA A 1 14 ? -5.107 16.747 -15.225 1.00 0.00 ? 14 ALA A HA 12 ATOM 7349 H HB1 . ALA A 1 14 ? -5.424 17.065 -12.800 1.00 0.00 ? 14 ALA A HB1 12 ATOM 7350 H HB2 . ALA A 1 14 ? -5.611 15.382 -13.295 1.00 0.00 ? 14 ALA A HB2 12 ATOM 7351 H HB3 . ALA A 1 14 ? -4.127 15.908 -12.499 1.00 0.00 ? 14 ALA A HB3 12 ATOM 7352 N N . GLY A 1 15 ? -2.344 17.779 -15.238 1.00 0.00 ? 15 GLY A N 12 ATOM 7353 C CA . GLY A 1 15 ? -1.420 18.898 -15.215 1.00 0.00 ? 15 GLY A CA 12 ATOM 7354 C C . GLY A 1 15 ? -0.115 18.559 -14.522 1.00 0.00 ? 15 GLY A C 12 ATOM 7355 O O . GLY A 1 15 ? 0.884 19.259 -14.687 1.00 0.00 ? 15 GLY A O 12 ATOM 7356 H H . GLY A 1 15 ? -2.191 17.032 -15.854 1.00 0.00 ? 15 GLY A H 12 ATOM 7357 H HA2 . GLY A 1 15 ? -1.209 19.197 -16.231 1.00 0.00 ? 15 GLY A HA2 12 ATOM 7358 H HA3 . GLY A 1 15 ? -1.885 19.724 -14.697 1.00 0.00 ? 15 GLY A HA3 12 ATOM 7359 N N . TYR A 1 16 ? -0.124 17.484 -13.742 1.00 0.00 ? 16 TYR A N 12 ATOM 7360 C CA . TYR A 1 16 ? 1.067 17.056 -13.017 1.00 0.00 ? 16 TYR A CA 12 ATOM 7361 C C . TYR A 1 16 ? 2.218 16.774 -13.979 1.00 0.00 ? 16 TYR A C 12 ATOM 7362 O O . TYR A 1 16 ? 3.380 17.030 -13.664 1.00 0.00 ? 16 TYR A O 12 ATOM 7363 C CB . TYR A 1 16 ? 0.763 15.807 -12.188 1.00 0.00 ? 16 TYR A CB 12 ATOM 7364 C CG . TYR A 1 16 ? 0.467 16.102 -10.735 1.00 0.00 ? 16 TYR A CG 12 ATOM 7365 C CD1 . TYR A 1 16 ? -0.812 16.455 -10.324 1.00 0.00 ? 16 TYR A CD1 12 ATOM 7366 C CD2 . TYR A 1 16 ? 1.467 16.026 -9.773 1.00 0.00 ? 16 TYR A CD2 12 ATOM 7367 C CE1 . TYR A 1 16 ? -1.086 16.727 -8.997 1.00 0.00 ? 16 TYR A CE1 12 ATOM 7368 C CE2 . TYR A 1 16 ? 1.202 16.294 -8.444 1.00 0.00 ? 16 TYR A CE2 12 ATOM 7369 C CZ . TYR A 1 16 ? -0.076 16.644 -8.061 1.00 0.00 ? 16 TYR A CZ 12 ATOM 7370 O OH . TYR A 1 16 ? -0.346 16.912 -6.739 1.00 0.00 ? 16 TYR A OH 12 ATOM 7371 H H . TYR A 1 16 ? -0.951 16.966 -13.650 1.00 0.00 ? 16 TYR A H 12 ATOM 7372 H HA . TYR A 1 16 ? 1.356 17.856 -12.352 1.00 0.00 ? 16 TYR A HA 12 ATOM 7373 H HB2 . TYR A 1 16 ? -0.096 15.306 -12.606 1.00 0.00 ? 16 TYR A HB2 12 ATOM 7374 H HB3 . TYR A 1 16 ? 1.614 15.142 -12.226 1.00 0.00 ? 16 TYR A HB3 12 ATOM 7375 H HD1 . TYR A 1 16 ? -1.600 16.518 -11.060 1.00 0.00 ? 16 TYR A HD1 12 ATOM 7376 H HD2 . TYR A 1 16 ? 2.467 15.751 -10.076 1.00 0.00 ? 16 TYR A HD2 12 ATOM 7377 H HE1 . TYR A 1 16 ? -2.087 17.000 -8.697 1.00 0.00 ? 16 TYR A HE1 12 ATOM 7378 H HE2 . TYR A 1 16 ? 1.992 16.230 -7.711 1.00 0.00 ? 16 TYR A HE2 12 ATOM 7379 H HH . TYR A 1 16 ? 0.469 16.874 -6.232 1.00 0.00 ? 16 TYR A HH 12 ATOM 7380 N N . ASP A 1 17 ? 1.884 16.247 -15.152 1.00 0.00 ? 17 ASP A N 12 ATOM 7381 C CA . ASP A 1 17 ? 2.889 15.932 -16.161 1.00 0.00 ? 17 ASP A CA 12 ATOM 7382 C C . ASP A 1 17 ? 2.632 16.714 -17.446 1.00 0.00 ? 17 ASP A C 12 ATOM 7383 O O . ASP A 1 17 ? 1.742 17.562 -17.500 1.00 0.00 ? 17 ASP A O 12 ATOM 7384 C CB . ASP A 1 17 ? 2.893 14.431 -16.455 1.00 0.00 ? 17 ASP A CB 12 ATOM 7385 C CG . ASP A 1 17 ? 3.283 13.605 -15.245 1.00 0.00 ? 17 ASP A CG 12 ATOM 7386 O OD1 . ASP A 1 17 ? 2.665 13.791 -14.177 1.00 0.00 ? 17 ASP A OD1 12 ATOM 7387 O OD2 . ASP A 1 17 ? 4.207 12.773 -15.367 1.00 0.00 ? 17 ASP A OD2 12 ATOM 7388 H H . ASP A 1 17 ? 0.940 16.066 -15.343 1.00 0.00 ? 17 ASP A H 12 ATOM 7389 H HA . ASP A 1 17 ? 3.854 16.215 -15.769 1.00 0.00 ? 17 ASP A HA 12 ATOM 7390 H HB2 . ASP A 1 17 ? 1.905 14.129 -16.770 1.00 0.00 ? 17 ASP A HB2 12 ATOM 7391 H HB3 . ASP A 1 17 ? 3.597 14.228 -17.249 1.00 0.00 ? 17 ASP A HB3 12 ATOM 7392 N N . SER A 1 18 ? 3.419 16.423 -18.477 1.00 0.00 ? 18 SER A N 12 ATOM 7393 C CA . SER A 1 18 ? 3.280 17.102 -19.760 1.00 0.00 ? 18 SER A CA 12 ATOM 7394 C C . SER A 1 18 ? 2.190 16.450 -20.605 1.00 0.00 ? 18 SER A C 12 ATOM 7395 O O . SER A 1 18 ? 2.560 15.487 -21.276 1.00 0.00 ? 18 SER A O 12 ATOM 7396 C CB . SER A 1 18 ? 4.609 17.083 -20.517 1.00 0.00 ? 18 SER A CB 12 ATOM 7397 O OG . SER A 1 18 ? 5.510 18.042 -19.991 1.00 0.00 ? 18 SER A OG 12 ATOM 7398 H H . SER A 1 18 ? 4.110 15.736 -18.371 1.00 0.00 ? 18 SER A H 12 ATOM 7399 H HA . SER A 1 18 ? 3.002 18.127 -19.564 1.00 0.00 ? 18 SER A HA 12 ATOM 7400 H HB2 . SER A 1 18 ? 5.055 16.104 -20.432 1.00 0.00 ? 18 SER A HB2 12 ATOM 7401 H HB3 . SER A 1 18 ? 4.430 17.308 -21.558 1.00 0.00 ? 18 SER A HB3 12 ATOM 7402 N N . GLY A 1 19 ? 1.043 16.427 -19.906 1.00 0.00 ? 19 GLY A N 12 ATOM 7403 C CA . GLY A 1 19 ? 0.163 15.273 -19.947 1.00 0.00 ? 19 GLY A CA 12 ATOM 7404 C C . GLY A 1 19 ? 0.864 14.027 -20.450 1.00 0.00 ? 19 GLY A C 12 ATOM 7405 O O . GLY A 1 19 ? 0.695 13.632 -21.604 1.00 0.00 ? 19 GLY A O 12 ATOM 7406 H H . GLY A 1 19 ? 0.795 17.210 -19.372 1.00 0.00 ? 19 GLY A H 12 ATOM 7407 H HA2 . GLY A 1 19 ? -0.213 15.086 -18.952 1.00 0.00 ? 19 GLY A HA2 12 ATOM 7408 H HA3 . GLY A 1 19 ? -0.669 15.492 -20.600 1.00 0.00 ? 19 GLY A HA3 12 ATOM 7409 N N . THR A 1 20 ? 1.656 13.404 -19.582 1.00 0.00 ? 20 THR A N 12 ATOM 7410 C CA . THR A 1 20 ? 2.387 12.197 -19.945 1.00 0.00 ? 20 THR A CA 12 ATOM 7411 C C . THR A 1 20 ? 2.630 11.314 -18.726 1.00 0.00 ? 20 THR A C 12 ATOM 7412 O O . THR A 1 20 ? 2.969 11.805 -17.649 1.00 0.00 ? 20 THR A O 12 ATOM 7413 C CB . THR A 1 20 ? 3.741 12.535 -20.598 1.00 0.00 ? 20 THR A CB 12 ATOM 7414 O OG1 . THR A 1 20 ? 4.297 11.365 -21.206 1.00 0.00 ? 20 THR A OG1 12 ATOM 7415 C CG2 . THR A 1 20 ? 4.714 13.090 -19.569 1.00 0.00 ? 20 THR A CG2 12 ATOM 7416 H H . THR A 1 20 ? 1.750 13.767 -18.677 1.00 0.00 ? 20 THR A H 12 ATOM 7417 H HA . THR A 1 20 ? 1.792 11.649 -20.661 1.00 0.00 ? 20 THR A HA 12 ATOM 7418 H HB . THR A 1 20 ? 3.578 13.285 -21.359 1.00 0.00 ? 20 THR A HB 12 ATOM 7419 H HG1 . THR A 1 20 ? 3.588 10.797 -21.517 1.00 0.00 ? 20 THR A HG1 12 ATOM 7420 H HG21 . THR A 1 20 ? 4.911 12.339 -18.819 1.00 0.00 ? 20 THR A HG21 12 ATOM 7421 H HG22 . THR A 1 20 ? 4.284 13.963 -19.100 1.00 0.00 ? 20 THR A HG22 12 ATOM 7422 H HG23 . THR A 1 20 ? 5.638 13.362 -20.057 1.00 0.00 ? 20 THR A HG23 12 ATOM 7423 N N . CYS A 1 21 ? 2.456 10.009 -18.903 1.00 0.00 ? 21 CYS A N 12 ATOM 7424 C CA . CYS A 1 21 ? 2.657 9.056 -17.818 1.00 0.00 ? 21 CYS A CA 12 ATOM 7425 C C . CYS A 1 21 ? 3.522 7.885 -18.275 1.00 0.00 ? 21 CYS A C 12 ATOM 7426 O O . CYS A 1 21 ? 4.029 7.875 -19.397 1.00 0.00 ? 21 CYS A O 12 ATOM 7427 C CB . CYS A 1 21 ? 1.310 8.540 -17.308 1.00 0.00 ? 21 CYS A CB 12 ATOM 7428 S SG . CYS A 1 21 ? 0.067 9.845 -17.042 1.00 0.00 ? 21 CYS A SG 12 ATOM 7429 H H . CYS A 1 21 ? 2.185 9.677 -19.786 1.00 0.00 ? 21 CYS A H 12 ATOM 7430 H HA . CYS A 1 21 ? 3.163 9.570 -17.015 1.00 0.00 ? 21 CYS A HA 12 ATOM 7431 H HB2 . CYS A 1 21 ? 0.904 7.844 -18.027 1.00 0.00 ? 21 CYS A HB2 12 ATOM 7432 H HB3 . CYS A 1 21 ? 1.460 8.032 -16.367 1.00 0.00 ? 21 CYS A HB3 12 ATOM 7433 N N . ASP A 1 22 ? 3.687 6.901 -17.398 1.00 0.00 ? 22 ASP A N 12 ATOM 7434 C CA . ASP A 1 22 ? 4.489 5.724 -17.711 1.00 0.00 ? 22 ASP A CA 12 ATOM 7435 C C . ASP A 1 22 ? 4.026 4.519 -16.899 1.00 0.00 ? 22 ASP A C 12 ATOM 7436 O O . ASP A 1 22 ? 3.356 3.627 -17.419 1.00 0.00 ? 22 ASP A O 12 ATOM 7437 C CB . ASP A 1 22 ? 5.968 6.002 -17.437 1.00 0.00 ? 22 ASP A CB 12 ATOM 7438 C CG . ASP A 1 22 ? 6.776 6.147 -18.712 1.00 0.00 ? 22 ASP A CG 12 ATOM 7439 O OD1 . ASP A 1 22 ? 7.072 5.114 -19.348 1.00 0.00 ? 22 ASP A OD1 12 ATOM 7440 O OD2 . ASP A 1 22 ? 7.110 7.294 -19.075 1.00 0.00 ? 22 ASP A OD2 12 ATOM 7441 H H . ASP A 1 22 ? 3.257 6.967 -16.519 1.00 0.00 ? 22 ASP A H 12 ATOM 7442 H HA . ASP A 1 22 ? 4.362 5.506 -18.760 1.00 0.00 ? 22 ASP A HA 12 ATOM 7443 H HB2 . ASP A 1 22 ? 6.057 6.918 -16.871 1.00 0.00 ? 22 ASP A HB2 12 ATOM 7444 H HB3 . ASP A 1 22 ? 6.380 5.186 -16.862 1.00 0.00 ? 22 ASP A HB3 12 ATOM 7445 N N . TYR A 1 23 ? 4.389 4.499 -15.621 1.00 0.00 ? 23 TYR A N 12 ATOM 7446 C CA . TYR A 1 23 ? 4.014 3.401 -14.737 1.00 0.00 ? 23 TYR A CA 12 ATOM 7447 C C . TYR A 1 23 ? 2.500 3.342 -14.554 1.00 0.00 ? 23 TYR A C 12 ATOM 7448 O O . TYR A 1 23 ? 1.941 2.288 -14.255 1.00 0.00 ? 23 TYR A O 12 ATOM 7449 C CB . TYR A 1 23 ? 4.697 3.557 -13.378 1.00 0.00 ? 23 TYR A CB 12 ATOM 7450 C CG . TYR A 1 23 ? 6.164 3.909 -13.475 1.00 0.00 ? 23 TYR A CG 12 ATOM 7451 C CD1 . TYR A 1 23 ? 7.000 3.249 -14.368 1.00 0.00 ? 23 TYR A CD1 12 ATOM 7452 C CD2 . TYR A 1 23 ? 6.715 4.901 -12.673 1.00 0.00 ? 23 TYR A CD2 12 ATOM 7453 C CE1 . TYR A 1 23 ? 8.341 3.567 -14.459 1.00 0.00 ? 23 TYR A CE1 12 ATOM 7454 C CE2 . TYR A 1 23 ? 8.055 5.227 -12.759 1.00 0.00 ? 23 TYR A CE2 12 ATOM 7455 C CZ . TYR A 1 23 ? 8.864 4.557 -13.653 1.00 0.00 ? 23 TYR A CZ 12 ATOM 7456 O OH . TYR A 1 23 ? 10.199 4.878 -13.740 1.00 0.00 ? 23 TYR A OH 12 ATOM 7457 H H . TYR A 1 23 ? 4.923 5.239 -15.263 1.00 0.00 ? 23 TYR A H 12 ATOM 7458 H HA . TYR A 1 23 ? 4.346 2.480 -15.193 1.00 0.00 ? 23 TYR A HA 12 ATOM 7459 H HB2 . TYR A 1 23 ? 4.205 4.340 -12.822 1.00 0.00 ? 23 TYR A HB2 12 ATOM 7460 H HB3 . TYR A 1 23 ? 4.614 2.628 -12.832 1.00 0.00 ? 23 TYR A HB3 12 ATOM 7461 H HD1 . TYR A 1 23 ? 6.588 2.475 -14.998 1.00 0.00 ? 23 TYR A HD1 12 ATOM 7462 H HD2 . TYR A 1 23 ? 6.079 5.424 -11.973 1.00 0.00 ? 23 TYR A HD2 12 ATOM 7463 H HE1 . TYR A 1 23 ? 8.975 3.044 -15.159 1.00 0.00 ? 23 TYR A HE1 12 ATOM 7464 H HE2 . TYR A 1 23 ? 8.465 6.001 -12.127 1.00 0.00 ? 23 TYR A HE2 12 ATOM 7465 H HH . TYR A 1 23 ? 10.361 5.352 -14.559 1.00 0.00 ? 23 TYR A HH 12 ATOM 7466 N N . MET A 1 24 ? 1.844 4.483 -14.738 1.00 0.00 ? 24 MET A N 12 ATOM 7467 C CA . MET A 1 24 ? 0.394 4.562 -14.595 1.00 0.00 ? 24 MET A CA 12 ATOM 7468 C C . MET A 1 24 ? -0.302 3.686 -15.631 1.00 0.00 ? 24 MET A C 12 ATOM 7469 O O . MET A 1 24 ? -1.256 2.974 -15.316 1.00 0.00 ? 24 MET A O 12 ATOM 7470 C CB . MET A 1 24 ? -0.076 6.011 -14.736 1.00 0.00 ? 24 MET A CB 12 ATOM 7471 C CG . MET A 1 24 ? 0.255 6.877 -13.532 1.00 0.00 ? 24 MET A CG 12 ATOM 7472 S SD . MET A 1 24 ? 1.891 7.627 -13.644 1.00 0.00 ? 24 MET A SD 12 ATOM 7473 C CE . MET A 1 24 ? 2.809 6.615 -12.486 1.00 0.00 ? 24 MET A CE 12 ATOM 7474 H H . MET A 1 24 ? 2.345 5.291 -14.975 1.00 0.00 ? 24 MET A H 12 ATOM 7475 H HA . MET A 1 24 ? 0.139 4.204 -13.609 1.00 0.00 ? 24 MET A HA 12 ATOM 7476 H HB2 . MET A 1 24 ? 0.394 6.446 -15.605 1.00 0.00 ? 24 MET A HB2 12 ATOM 7477 H HB3 . MET A 1 24 ? -1.147 6.018 -14.874 1.00 0.00 ? 24 MET A HB3 12 ATOM 7478 H HG2 . MET A 1 24 ? -0.481 7.663 -13.457 1.00 0.00 ? 24 MET A HG2 12 ATOM 7479 H HG3 . MET A 1 24 ? 0.216 6.264 -12.643 1.00 0.00 ? 24 MET A HG3 12 ATOM 7480 H HE1 . MET A 1 24 ? 2.521 6.872 -11.477 1.00 0.00 ? 24 MET A HE1 12 ATOM 7481 H HE2 . MET A 1 24 ? 2.591 5.573 -12.668 1.00 0.00 ? 24 MET A HE2 12 ATOM 7482 H HE3 . MET A 1 24 ? 3.867 6.790 -12.615 1.00 0.00 ? 24 MET A HE3 12 ATOM 7483 N N . TYR A 1 25 ? 0.180 3.743 -16.868 1.00 0.00 ? 25 TYR A N 12 ATOM 7484 C CA . TYR A 1 25 ? -0.399 2.957 -17.951 1.00 0.00 ? 25 TYR A CA 12 ATOM 7485 C C . TYR A 1 25 ? -0.168 1.466 -17.725 1.00 0.00 ? 25 TYR A C 12 ATOM 7486 O O . TYR A 1 25 ? -0.745 0.625 -18.415 1.00 0.00 ? 25 TYR A O 12 ATOM 7487 C CB . TYR A 1 25 ? 0.200 3.380 -19.293 1.00 0.00 ? 25 TYR A CB 12 ATOM 7488 C CG . TYR A 1 25 ? -0.401 4.650 -19.851 1.00 0.00 ? 25 TYR A CG 12 ATOM 7489 C CD1 . TYR A 1 25 ? -0.407 5.824 -19.107 1.00 0.00 ? 25 TYR A CD1 12 ATOM 7490 C CD2 . TYR A 1 25 ? -0.965 4.677 -21.121 1.00 0.00 ? 25 TYR A CD2 12 ATOM 7491 C CE1 . TYR A 1 25 ? -0.956 6.987 -19.613 1.00 0.00 ? 25 TYR A CE1 12 ATOM 7492 C CE2 . TYR A 1 25 ? -1.514 5.835 -21.634 1.00 0.00 ? 25 TYR A CE2 12 ATOM 7493 C CZ . TYR A 1 25 ? -1.508 6.987 -20.877 1.00 0.00 ? 25 TYR A CZ 12 ATOM 7494 O OH . TYR A 1 25 ? -2.056 8.143 -21.384 1.00 0.00 ? 25 TYR A OH 12 ATOM 7495 H H . TYR A 1 25 ? 0.941 4.329 -17.057 1.00 0.00 ? 25 TYR A H 12 ATOM 7496 H HA . TYR A 1 25 ? -1.463 3.146 -17.967 1.00 0.00 ? 25 TYR A HA 12 ATOM 7497 H HB2 . TYR A 1 25 ? 1.260 3.542 -19.171 1.00 0.00 ? 25 TYR A HB2 12 ATOM 7498 H HB3 . TYR A 1 25 ? 0.041 2.593 -20.015 1.00 0.00 ? 25 TYR A HB3 12 ATOM 7499 H HD1 . TYR A 1 25 ? 0.026 5.821 -18.118 1.00 0.00 ? 25 TYR A HD1 12 ATOM 7500 H HD2 . TYR A 1 25 ? -0.968 3.772 -21.711 1.00 0.00 ? 25 TYR A HD2 12 ATOM 7501 H HE1 . TYR A 1 25 ? -0.951 7.890 -19.020 1.00 0.00 ? 25 TYR A HE1 12 ATOM 7502 H HE2 . TYR A 1 25 ? -1.947 5.835 -22.624 1.00 0.00 ? 25 TYR A HE2 12 ATOM 7503 H HH . TYR A 1 25 ? -2.391 8.682 -20.664 1.00 0.00 ? 25 TYR A HH 12 ATOM 7504 N N . SER A 1 26 ? 0.681 1.146 -16.754 1.00 0.00 ? 26 SER A N 12 ATOM 7505 C CA . SER A 1 26 ? 0.993 -0.244 -16.438 1.00 0.00 ? 26 SER A CA 12 ATOM 7506 C C . SER A 1 26 ? -0.027 -0.820 -15.460 1.00 0.00 ? 26 SER A C 12 ATOM 7507 O O . SER A 1 26 ? 0.299 -1.679 -14.640 1.00 0.00 ? 26 SER A O 12 ATOM 7508 C CB . SER A 1 26 ? 2.400 -0.351 -15.848 1.00 0.00 ? 26 SER A CB 12 ATOM 7509 O OG . SER A 1 26 ? 2.969 -1.621 -16.115 1.00 0.00 ? 26 SER A OG 12 ATOM 7510 H H . SER A 1 26 ? 1.110 1.861 -16.239 1.00 0.00 ? 26 SER A H 12 ATOM 7511 H HA . SER A 1 26 ? 0.953 -0.809 -17.357 1.00 0.00 ? 26 SER A HA 12 ATOM 7512 H HB2 . SER A 1 26 ? 3.029 0.411 -16.282 1.00 0.00 ? 26 SER A HB2 12 ATOM 7513 H HB3 . SER A 1 26 ? 2.350 -0.210 -14.778 1.00 0.00 ? 26 SER A HB3 12 ATOM 7514 H HG . SER A 1 26 ? 3.225 -2.038 -15.289 1.00 0.00 ? 26 SER A HG 12 ATOM 7515 N N . HIS A 1 27 ? -1.264 -0.342 -15.554 1.00 0.00 ? 27 HIS A N 12 ATOM 7516 C CA . HIS A 1 27 ? -2.333 -0.809 -14.679 1.00 0.00 ? 27 HIS A CA 12 ATOM 7517 C C . HIS A 1 27 ? -1.941 -0.655 -13.213 1.00 0.00 ? 27 HIS A C 12 ATOM 7518 O O . HIS A 1 27 ? -1.996 -1.612 -12.440 1.00 0.00 ? 27 HIS A O 12 ATOM 7519 C CB . HIS A 1 27 ? -2.663 -2.272 -14.979 1.00 0.00 ? 27 HIS A CB 12 ATOM 7520 C CG . HIS A 1 27 ? -3.632 -2.447 -16.108 1.00 0.00 ? 27 HIS A CG 12 ATOM 7521 N ND1 . HIS A 1 27 ? -4.347 -3.608 -16.313 1.00 0.00 ? 27 HIS A ND1 12 ATOM 7522 C CD2 . HIS A 1 27 ? -4.004 -1.599 -17.096 1.00 0.00 ? 27 HIS A CD2 12 ATOM 7523 C CE1 . HIS A 1 27 ? -5.115 -3.468 -17.379 1.00 0.00 ? 27 HIS A CE1 12 ATOM 7524 N NE2 . HIS A 1 27 ? -4.926 -2.257 -17.872 1.00 0.00 ? 27 HIS A NE2 12 ATOM 7525 H H . HIS A 1 27 ? -1.462 0.341 -16.228 1.00 0.00 ? 27 HIS A H 12 ATOM 7526 H HA . HIS A 1 27 ? -3.206 -0.205 -14.871 1.00 0.00 ? 27 HIS A HA 12 ATOM 7527 H HB2 . HIS A 1 27 ? -1.754 -2.794 -15.239 1.00 0.00 ? 27 HIS A HB2 12 ATOM 7528 H HB3 . HIS A 1 27 ? -3.094 -2.725 -14.098 1.00 0.00 ? 27 HIS A HB3 12 ATOM 7529 H HD1 . HIS A 1 27 ? -4.297 -4.416 -15.761 1.00 0.00 ? 27 HIS A HD1 12 ATOM 7530 H HD2 . HIS A 1 27 ? -3.642 -0.591 -17.246 1.00 0.00 ? 27 HIS A HD2 12 ATOM 7531 H HE1 . HIS A 1 27 ? -5.784 -4.214 -17.779 1.00 0.00 ? 27 HIS A HE1 12 ATOM 7532 N N . CYS A 1 28 ? -1.543 0.556 -12.836 1.00 0.00 ? 28 CYS A N 12 ATOM 7533 C CA . CYS A 1 28 ? -1.141 0.836 -11.463 1.00 0.00 ? 28 CYS A CA 12 ATOM 7534 C C . CYS A 1 28 ? -2.073 1.859 -10.821 1.00 0.00 ? 28 CYS A C 12 ATOM 7535 O O . CYS A 1 28 ? -2.140 1.972 -9.597 1.00 0.00 ? 28 CYS A O 12 ATOM 7536 C CB . CYS A 1 28 ? 0.300 1.349 -11.427 1.00 0.00 ? 28 CYS A CB 12 ATOM 7537 S SG . CYS A 1 28 ? 1.246 0.808 -9.966 1.00 0.00 ? 28 CYS A SG 12 ATOM 7538 H H . CYS A 1 28 ? -1.520 1.279 -13.498 1.00 0.00 ? 28 CYS A H 12 ATOM 7539 H HA . CYS A 1 28 ? -1.199 -0.086 -10.905 1.00 0.00 ? 28 CYS A HA 12 ATOM 7540 H HB2 . CYS A 1 28 ? 0.822 0.996 -12.304 1.00 0.00 ? 28 CYS A HB2 12 ATOM 7541 H HB3 . CYS A 1 28 ? 0.290 2.429 -11.431 1.00 0.00 ? 28 CYS A HB3 12 ATOM 7542 N N . PHE A 1 29 ? -2.791 2.604 -11.656 1.00 0.00 ? 29 PHE A N 12 ATOM 7543 C CA . PHE A 1 29 ? -3.719 3.618 -11.170 1.00 0.00 ? 29 PHE A CA 12 ATOM 7544 C C . PHE A 1 29 ? -5.150 3.289 -11.585 1.00 0.00 ? 29 PHE A C 12 ATOM 7545 O O . PHE A 1 29 ? -6.107 3.698 -10.929 1.00 0.00 ? 29 PHE A O 12 ATOM 7546 C CB . PHE A 1 29 ? -3.325 4.997 -11.705 1.00 0.00 ? 29 PHE A CB 12 ATOM 7547 C CG . PHE A 1 29 ? -2.194 5.633 -10.950 1.00 0.00 ? 29 PHE A CG 12 ATOM 7548 C CD1 . PHE A 1 29 ? -0.987 4.969 -10.797 1.00 0.00 ? 29 PHE A CD1 12 ATOM 7549 C CD2 . PHE A 1 29 ? -2.336 6.893 -10.393 1.00 0.00 ? 29 PHE A CD2 12 ATOM 7550 C CE1 . PHE A 1 29 ? 0.056 5.552 -10.101 1.00 0.00 ? 29 PHE A CE1 12 ATOM 7551 C CE2 . PHE A 1 29 ? -1.297 7.481 -9.697 1.00 0.00 ? 29 PHE A CE2 12 ATOM 7552 C CZ . PHE A 1 29 ? -0.099 6.810 -9.552 1.00 0.00 ? 29 PHE A CZ 12 ATOM 7553 H H . PHE A 1 29 ? -2.693 2.467 -12.622 1.00 0.00 ? 29 PHE A H 12 ATOM 7554 H HA . PHE A 1 29 ? -3.662 3.630 -10.093 1.00 0.00 ? 29 PHE A HA 12 ATOM 7555 H HB2 . PHE A 1 29 ? -3.023 4.902 -12.737 1.00 0.00 ? 29 PHE A HB2 12 ATOM 7556 H HB3 . PHE A 1 29 ? -4.179 5.655 -11.644 1.00 0.00 ? 29 PHE A HB3 12 ATOM 7557 H HD1 . PHE A 1 29 ? -0.864 3.986 -11.226 1.00 0.00 ? 29 PHE A HD1 12 ATOM 7558 H HD2 . PHE A 1 29 ? -3.274 7.420 -10.507 1.00 0.00 ? 29 PHE A HD2 12 ATOM 7559 H HE1 . PHE A 1 29 ? 0.992 5.025 -9.989 1.00 0.00 ? 29 PHE A HE1 12 ATOM 7560 H HE2 . PHE A 1 29 ? -1.421 8.465 -9.269 1.00 0.00 ? 29 PHE A HE2 12 ATOM 7561 H HZ . PHE A 1 29 ? 0.714 7.266 -9.008 1.00 0.00 ? 29 PHE A HZ 12 ATOM 7562 N N . GLY A 1 30 ? -5.287 2.546 -12.679 1.00 0.00 ? 30 GLY A N 12 ATOM 7563 C CA . GLY A 1 30 ? -6.604 2.174 -13.163 1.00 0.00 ? 30 GLY A CA 12 ATOM 7564 C C . GLY A 1 30 ? -7.204 3.226 -14.075 1.00 0.00 ? 30 GLY A C 12 ATOM 7565 O O . GLY A 1 30 ? -8.423 3.388 -14.129 1.00 0.00 ? 30 GLY A O 12 ATOM 7566 H H . GLY A 1 30 ? -4.488 2.248 -13.161 1.00 0.00 ? 30 GLY A H 12 ATOM 7567 H HA2 . GLY A 1 30 ? -6.527 1.244 -13.705 1.00 0.00 ? 30 GLY A HA2 12 ATOM 7568 H HA3 . GLY A 1 30 ? -7.259 2.033 -12.316 1.00 0.00 ? 30 GLY A HA3 12 ATOM 7569 N N . VAL A 1 31 ? -6.346 3.943 -14.793 1.00 0.00 ? 31 VAL A N 12 ATOM 7570 C CA . VAL A 1 31 ? -6.799 4.985 -15.707 1.00 0.00 ? 31 VAL A CA 12 ATOM 7571 C C . VAL A 1 31 ? -6.783 4.495 -17.151 1.00 0.00 ? 31 VAL A C 12 ATOM 7572 O O . VAL A 1 31 ? -7.611 4.903 -17.966 1.00 0.00 ? 31 VAL A O 12 ATOM 7573 C CB . VAL A 1 31 ? -5.924 6.248 -15.596 1.00 0.00 ? 31 VAL A CB 12 ATOM 7574 C CG1 . VAL A 1 31 ? -6.003 6.831 -14.194 1.00 0.00 ? 31 VAL A CG1 12 ATOM 7575 C CG2 . VAL A 1 31 ? -4.484 5.933 -15.971 1.00 0.00 ? 31 VAL A CG2 12 ATOM 7576 H H . VAL A 1 31 ? -5.386 3.768 -14.707 1.00 0.00 ? 31 VAL A H 12 ATOM 7577 H HA . VAL A 1 31 ? -7.811 5.250 -15.438 1.00 0.00 ? 31 VAL A HA 12 ATOM 7578 H HB . VAL A 1 31 ? -6.301 6.985 -16.290 1.00 0.00 ? 31 VAL A HB 12 ATOM 7579 H HG11 . VAL A 1 31 ? -6.921 6.512 -13.723 1.00 0.00 ? 31 VAL A HG11 12 ATOM 7580 H HG12 . VAL A 1 31 ? -5.160 6.486 -13.612 1.00 0.00 ? 31 VAL A HG12 12 ATOM 7581 H HG13 . VAL A 1 31 ? -5.984 7.910 -14.251 1.00 0.00 ? 31 VAL A HG13 12 ATOM 7582 H HG21 . VAL A 1 31 ? -3.815 6.430 -15.285 1.00 0.00 ? 31 VAL A HG21 12 ATOM 7583 H HG22 . VAL A 1 31 ? -4.325 4.866 -15.919 1.00 0.00 ? 31 VAL A HG22 12 ATOM 7584 H HG23 . VAL A 1 31 ? -4.289 6.277 -16.977 1.00 0.00 ? 31 VAL A HG23 12 ATOM 7585 N N . LYS A 1 32 ? -5.836 3.616 -17.461 1.00 0.00 ? 32 LYS A N 12 ATOM 7586 C CA . LYS A 1 32 ? -5.712 3.067 -18.806 1.00 0.00 ? 32 LYS A CA 12 ATOM 7587 C C . LYS A 1 32 ? -7.046 2.506 -19.290 1.00 0.00 ? 32 LYS A C 12 ATOM 7588 O O . LYS A 1 32 ? -7.775 1.868 -18.529 1.00 0.00 ? 32 LYS A O 12 ATOM 7589 C CB . LYS A 1 32 ? -4.645 1.970 -18.835 1.00 0.00 ? 32 LYS A CB 12 ATOM 7590 C CG . LYS A 1 32 ? -4.638 1.162 -20.121 1.00 0.00 ? 32 LYS A CG 12 ATOM 7591 C CD . LYS A 1 32 ? -3.247 0.642 -20.445 1.00 0.00 ? 32 LYS A CD 12 ATOM 7592 C CE . LYS A 1 32 ? -2.420 1.684 -21.182 1.00 0.00 ? 32 LYS A CE 12 ATOM 7593 N NZ . LYS A 1 32 ? -1.444 1.058 -22.116 1.00 0.00 ? 32 LYS A NZ 12 ATOM 7594 H H . LYS A 1 32 ? -5.205 3.329 -16.767 1.00 0.00 ? 32 LYS A H 12 ATOM 7595 H HA . LYS A 1 32 ? -5.412 3.867 -19.465 1.00 0.00 ? 32 LYS A HA 12 ATOM 7596 H HB2 . LYS A 1 32 ? -3.674 2.426 -18.715 1.00 0.00 ? 32 LYS A HB2 12 ATOM 7597 H HB3 . LYS A 1 32 ? -4.819 1.293 -18.011 1.00 0.00 ? 32 LYS A HB3 12 ATOM 7598 H HG2 . LYS A 1 32 ? -5.308 0.323 -20.013 1.00 0.00 ? 32 LYS A HG2 12 ATOM 7599 H HG3 . LYS A 1 32 ? -4.974 1.792 -20.933 1.00 0.00 ? 32 LYS A HG3 12 ATOM 7600 H HD2 . LYS A 1 32 ? -2.744 0.386 -19.524 1.00 0.00 ? 32 LYS A HD2 12 ATOM 7601 H HD3 . LYS A 1 32 ? -3.337 -0.238 -21.065 1.00 0.00 ? 32 LYS A HD3 12 ATOM 7602 H HE2 . LYS A 1 32 ? -3.085 2.321 -21.744 1.00 0.00 ? 32 LYS A HE2 12 ATOM 7603 H HE3 . LYS A 1 32 ? -1.882 2.276 -20.456 1.00 0.00 ? 32 LYS A HE3 12 ATOM 7604 H HZ1 . LYS A 1 32 ? -1.867 0.222 -22.568 1.00 0.00 ? 32 LYS A HZ1 12 ATOM 7605 H HZ2 . LYS A 1 32 ? -0.591 0.765 -21.598 1.00 0.00 ? 32 LYS A HZ2 12 ATOM 7606 H HZ3 . LYS A 1 32 ? -1.170 1.737 -22.855 1.00 0.00 ? 32 LYS A HZ3 12 ATOM 7607 N N . HIS A 1 33 ? -7.358 2.747 -20.559 1.00 0.00 ? 33 HIS A N 12 ATOM 7608 C CA . HIS A 1 33 ? -8.604 2.264 -21.144 1.00 0.00 ? 33 HIS A CA 12 ATOM 7609 C C . HIS A 1 33 ? -8.326 1.331 -22.319 1.00 0.00 ? 33 HIS A C 12 ATOM 7610 O O . HIS A 1 33 ? -9.013 0.326 -22.503 1.00 0.00 ? 33 HIS A O 12 ATOM 7611 C CB . HIS A 1 33 ? -9.466 3.440 -21.605 1.00 0.00 ? 33 HIS A CB 12 ATOM 7612 C CG . HIS A 1 33 ? -10.906 3.083 -21.810 1.00 0.00 ? 33 HIS A CG 12 ATOM 7613 N ND1 . HIS A 1 33 ? -11.510 3.074 -23.049 1.00 0.00 ? 33 HIS A ND1 12 ATOM 7614 C CD2 . HIS A 1 33 ? -11.863 2.720 -20.924 1.00 0.00 ? 33 HIS A CD2 12 ATOM 7615 C CE1 . HIS A 1 33 ? -12.776 2.722 -22.917 1.00 0.00 ? 33 HIS A CE1 12 ATOM 7616 N NE2 . HIS A 1 33 ? -13.016 2.501 -21.637 1.00 0.00 ? 33 HIS A NE2 12 ATOM 7617 H H . HIS A 1 33 ? -6.737 3.261 -21.115 1.00 0.00 ? 33 HIS A H 12 ATOM 7618 H HA . HIS A 1 33 ? -9.137 1.715 -20.383 1.00 0.00 ? 33 HIS A HA 12 ATOM 7619 H HB2 . HIS A 1 33 ? -9.421 4.223 -20.862 1.00 0.00 ? 33 HIS A HB2 12 ATOM 7620 H HB3 . HIS A 1 33 ? -9.080 3.816 -22.541 1.00 0.00 ? 33 HIS A HB3 12 ATOM 7621 H HD1 . HIS A 1 33 ? -11.075 3.294 -23.899 1.00 0.00 ? 33 HIS A HD1 12 ATOM 7622 H HD2 . HIS A 1 33 ? -11.743 2.621 -19.854 1.00 0.00 ? 33 HIS A HD2 12 ATOM 7623 H HE1 . HIS A 1 33 ? -13.494 2.630 -23.718 1.00 0.00 ? 33 HIS A HE1 12 ATOM 7624 N N . SER A 1 34 ? -7.315 1.671 -23.112 1.00 0.00 ? 34 SER A N 12 ATOM 7625 C CA . SER A 1 34 ? -6.949 0.866 -24.272 1.00 0.00 ? 34 SER A CA 12 ATOM 7626 C C . SER A 1 34 ? -6.002 -0.262 -23.874 1.00 0.00 ? 34 SER A C 12 ATOM 7627 O O . SER A 1 34 ? -5.134 -0.085 -23.019 1.00 0.00 ? 34 SER A O 12 ATOM 7628 C CB . SER A 1 34 ? -6.295 1.743 -25.342 1.00 0.00 ? 34 SER A CB 12 ATOM 7629 O OG . SER A 1 34 ? -4.900 1.859 -25.123 1.00 0.00 ? 34 SER A OG 12 ATOM 7630 H H . SER A 1 34 ? -6.805 2.484 -22.914 1.00 0.00 ? 34 SER A H 12 ATOM 7631 H HA . SER A 1 34 ? -7.854 0.436 -24.675 1.00 0.00 ? 34 SER A HA 12 ATOM 7632 H HB2 . SER A 1 34 ? -6.460 1.304 -26.314 1.00 0.00 ? 34 SER A HB2 12 ATOM 7633 H HB3 . SER A 1 34 ? -6.735 2.730 -25.313 1.00 0.00 ? 34 SER A HB3 12 ATOM 7634 H HG . SER A 1 34 ? -4.590 2.700 -25.467 1.00 0.00 ? 34 SER A HG 12 ATOM 7635 N N . SER A 1 35 ? -6.176 -1.421 -24.501 1.00 0.00 ? 35 SER A N 12 ATOM 7636 C CA . SER A 1 35 ? -5.340 -2.580 -24.210 1.00 0.00 ? 35 SER A CA 12 ATOM 7637 C C . SER A 1 35 ? -3.951 -2.415 -24.820 1.00 0.00 ? 35 SER A C 12 ATOM 7638 O O . SER A 1 35 ? -2.945 -2.433 -24.114 1.00 0.00 ? 35 SER A O 12 ATOM 7639 C CB . SER A 1 35 ? -5.996 -3.855 -24.744 1.00 0.00 ? 35 SER A CB 12 ATOM 7640 O OG . SER A 1 35 ? -7.252 -4.078 -24.128 1.00 0.00 ? 35 SER A OG 12 ATOM 7641 H H . SER A 1 35 ? -6.885 -1.499 -25.173 1.00 0.00 ? 35 SER A H 12 ATOM 7642 H HA . SER A 1 35 ? -5.242 -2.657 -23.138 1.00 0.00 ? 35 SER A HA 12 ATOM 7643 H HB2 . SER A 1 35 ? -6.142 -3.762 -25.809 1.00 0.00 ? 35 SER A HB2 12 ATOM 7644 H HB3 . SER A 1 35 ? -5.353 -4.699 -24.540 1.00 0.00 ? 35 SER A HB3 12 ATOM 7645 H HG . SER A 1 35 ? -7.945 -3.680 -24.661 1.00 0.00 ? 35 SER A HG 12 ATOM 7646 N N . GLY A 1 36 ? -3.907 -2.254 -26.140 1.00 0.00 ? 36 GLY A N 12 ATOM 7647 C CA . GLY A 1 36 ? -2.638 -2.088 -26.824 1.00 0.00 ? 36 GLY A CA 12 ATOM 7648 C C . GLY A 1 36 ? -2.168 -0.647 -26.832 1.00 0.00 ? 36 GLY A C 12 ATOM 7649 O O . GLY A 1 36 ? -2.527 0.136 -25.954 1.00 0.00 ? 36 GLY A O 12 ATOM 7650 H H . GLY A 1 36 ? -4.742 -2.248 -26.652 1.00 0.00 ? 36 GLY A H 12 ATOM 7651 H HA2 . GLY A 1 36 ? -1.894 -2.696 -26.332 1.00 0.00 ? 36 GLY A HA2 12 ATOM 7652 H HA3 . GLY A 1 36 ? -2.746 -2.425 -27.845 1.00 0.00 ? 36 GLY A HA3 12 ATOM 7653 N N . GLY A 1 37 ? -1.360 -0.295 -27.828 1.00 0.00 ? 37 GLY A N 12 ATOM 7654 C CA . GLY A 1 37 ? -0.851 1.060 -27.927 1.00 0.00 ? 37 GLY A CA 12 ATOM 7655 C C . GLY A 1 37 ? -0.273 1.364 -29.296 1.00 0.00 ? 37 GLY A C 12 ATOM 7656 O O . GLY A 1 37 ? -1.003 1.713 -30.222 1.00 0.00 ? 37 GLY A O 12 ATOM 7657 H H . GLY A 1 37 ? -1.107 -0.962 -28.501 1.00 0.00 ? 37 GLY A H 12 ATOM 7658 H HA2 . GLY A 1 37 ? -1.656 1.751 -27.727 1.00 0.00 ? 37 GLY A HA2 12 ATOM 7659 H HA3 . GLY A 1 37 ? -0.079 1.198 -27.185 1.00 0.00 ? 37 GLY A HA3 12 ATOM 7660 N N . GLY A 1 38 ? 1.044 1.232 -29.423 1.00 0.00 ? 38 GLY A N 12 ATOM 7661 C CA . GLY A 1 38 ? 1.697 1.501 -30.690 1.00 0.00 ? 38 GLY A CA 12 ATOM 7662 C C . GLY A 1 38 ? 2.705 0.431 -31.061 1.00 0.00 ? 38 GLY A C 12 ATOM 7663 O O . GLY A 1 38 ? 2.341 -0.720 -31.298 1.00 0.00 ? 38 GLY A O 12 ATOM 7664 H H . GLY A 1 38 ? 1.576 0.950 -28.649 1.00 0.00 ? 38 GLY A H 12 ATOM 7665 H HA2 . GLY A 1 38 ? 0.947 1.557 -31.465 1.00 0.00 ? 38 GLY A HA2 12 ATOM 7666 H HA3 . GLY A 1 38 ? 2.206 2.452 -30.626 1.00 0.00 ? 38 GLY A HA3 12 ATOM 7667 N N . GLY A 1 39 ? 3.978 0.813 -31.113 1.00 0.00 ? 39 GLY A N 12 ATOM 7668 C CA . GLY A 1 39 ? 5.022 -0.134 -31.461 1.00 0.00 ? 39 GLY A CA 12 ATOM 7669 C C . GLY A 1 39 ? 6.248 0.543 -32.042 1.00 0.00 ? 39 GLY A C 12 ATOM 7670 O O . GLY A 1 39 ? 7.373 0.086 -31.837 1.00 0.00 ? 39 GLY A O 12 ATOM 7671 H H . GLY A 1 39 ? 4.210 1.744 -30.915 1.00 0.00 ? 39 GLY A H 12 ATOM 7672 H HA2 . GLY A 1 39 ? 5.310 -0.677 -30.573 1.00 0.00 ? 39 GLY A HA2 12 ATOM 7673 H HA3 . GLY A 1 39 ? 4.633 -0.832 -32.187 1.00 0.00 ? 39 GLY A HA3 12 ATOM 7674 N N . SER A 1 40 ? 6.031 1.634 -32.770 1.00 0.00 ? 40 SER A N 12 ATOM 7675 C CA . SER A 1 40 ? 7.127 2.371 -33.387 1.00 0.00 ? 40 SER A CA 12 ATOM 7676 C C . SER A 1 40 ? 6.864 3.873 -33.342 1.00 0.00 ? 40 SER A C 12 ATOM 7677 O O . SER A 1 40 ? 5.977 4.381 -34.028 1.00 0.00 ? 40 SER A O 12 ATOM 7678 C CB . SER A 1 40 ? 7.321 1.919 -34.836 1.00 0.00 ? 40 SER A CB 12 ATOM 7679 O OG . SER A 1 40 ? 7.424 0.508 -34.921 1.00 0.00 ? 40 SER A OG 12 ATOM 7680 H H . SER A 1 40 ? 5.111 1.948 -32.897 1.00 0.00 ? 40 SER A H 12 ATOM 7681 H HA . SER A 1 40 ? 8.026 2.158 -32.829 1.00 0.00 ? 40 SER A HA 12 ATOM 7682 H HB2 . SER A 1 40 ? 6.479 2.243 -35.427 1.00 0.00 ? 40 SER A HB2 12 ATOM 7683 H HB3 . SER A 1 40 ? 8.227 2.359 -35.229 1.00 0.00 ? 40 SER A HB3 12 ATOM 7684 H HG . SER A 1 40 ? 7.478 0.246 -35.842 1.00 0.00 ? 40 SER A HG 12 ATOM 7685 N N . TYR A 1 41 ? 7.642 4.579 -32.529 1.00 0.00 ? 41 TYR A N 12 ATOM 7686 C CA . TYR A 1 41 ? 7.493 6.023 -32.391 1.00 0.00 ? 41 TYR A CA 12 ATOM 7687 C C . TYR A 1 41 ? 8.710 6.633 -31.701 1.00 0.00 ? 41 TYR A C 12 ATOM 7688 O O . TYR A 1 41 ? 9.460 5.940 -31.014 1.00 0.00 ? 41 TYR A O 12 ATOM 7689 C CB . TYR A 1 41 ? 6.226 6.353 -31.601 1.00 0.00 ? 41 TYR A CB 12 ATOM 7690 C CG . TYR A 1 41 ? 5.617 7.689 -31.962 1.00 0.00 ? 41 TYR A CG 12 ATOM 7691 C CD1 . TYR A 1 41 ? 6.005 8.851 -31.307 1.00 0.00 ? 41 TYR A CD1 12 ATOM 7692 C CD2 . TYR A 1 41 ? 4.654 7.789 -32.958 1.00 0.00 ? 41 TYR A CD2 12 ATOM 7693 C CE1 . TYR A 1 41 ? 5.451 10.074 -31.633 1.00 0.00 ? 41 TYR A CE1 12 ATOM 7694 C CE2 . TYR A 1 41 ? 4.096 9.008 -33.292 1.00 0.00 ? 41 TYR A CE2 12 ATOM 7695 C CZ . TYR A 1 41 ? 4.498 10.147 -32.627 1.00 0.00 ? 41 TYR A CZ 12 ATOM 7696 O OH . TYR A 1 41 ? 3.943 11.363 -32.956 1.00 0.00 ? 41 TYR A OH 12 ATOM 7697 H H . TYR A 1 41 ? 8.332 4.118 -32.008 1.00 0.00 ? 41 TYR A H 12 ATOM 7698 H HA . TYR A 1 41 ? 7.407 6.444 -33.382 1.00 0.00 ? 41 TYR A HA 12 ATOM 7699 H HB2 . TYR A 1 41 ? 5.485 5.591 -31.787 1.00 0.00 ? 41 TYR A HB2 12 ATOM 7700 H HB3 . TYR A 1 41 ? 6.462 6.370 -30.547 1.00 0.00 ? 41 TYR A HB3 12 ATOM 7701 H HD1 . TYR A 1 41 ? 6.753 8.791 -30.529 1.00 0.00 ? 41 TYR A HD1 12 ATOM 7702 H HD2 . TYR A 1 41 ? 4.341 6.894 -33.477 1.00 0.00 ? 41 TYR A HD2 12 ATOM 7703 H HE1 . TYR A 1 41 ? 5.766 10.967 -31.113 1.00 0.00 ? 41 TYR A HE1 12 ATOM 7704 H HE2 . TYR A 1 41 ? 3.349 9.065 -34.070 1.00 0.00 ? 41 TYR A HE2 12 ATOM 7705 H HH . TYR A 1 41 ? 3.300 11.612 -32.288 1.00 0.00 ? 41 TYR A HH 12 ATOM 7706 N N . HIS A 1 42 ? 8.898 7.935 -31.890 1.00 0.00 ? 42 HIS A N 12 ATOM 7707 C CA . HIS A 1 42 ? 10.022 8.641 -31.285 1.00 0.00 ? 42 HIS A CA 12 ATOM 7708 C C . HIS A 1 42 ? 9.613 9.281 -29.962 1.00 0.00 ? 42 HIS A C 12 ATOM 7709 O O . HIS A 1 42 ? 10.025 10.398 -29.647 1.00 0.00 ? 42 HIS A O 12 ATOM 7710 C CB . HIS A 1 42 ? 10.553 9.710 -32.240 1.00 0.00 ? 42 HIS A CB 12 ATOM 7711 C CG . HIS A 1 42 ? 11.416 9.161 -33.334 1.00 0.00 ? 42 HIS A CG 12 ATOM 7712 N ND1 . HIS A 1 42 ? 12.253 8.079 -33.161 1.00 0.00 ? 42 HIS A ND1 12 ATOM 7713 C CD2 . HIS A 1 42 ? 11.567 9.550 -34.622 1.00 0.00 ? 42 HIS A CD2 12 ATOM 7714 C CE1 . HIS A 1 42 ? 12.883 7.827 -34.295 1.00 0.00 ? 42 HIS A CE1 12 ATOM 7715 N NE2 . HIS A 1 42 ? 12.484 8.705 -35.197 1.00 0.00 ? 42 HIS A NE2 12 ATOM 7716 H H . HIS A 1 42 ? 8.265 8.433 -32.448 1.00 0.00 ? 42 HIS A H 12 ATOM 7717 H HA . HIS A 1 42 ? 10.803 7.920 -31.096 1.00 0.00 ? 42 HIS A HA 12 ATOM 7718 H HB2 . HIS A 1 42 ? 9.719 10.219 -32.700 1.00 0.00 ? 42 HIS A HB2 12 ATOM 7719 H HB3 . HIS A 1 42 ? 11.140 10.424 -31.680 1.00 0.00 ? 42 HIS A HB3 12 ATOM 7720 H HD1 . HIS A 1 42 ? 12.369 7.573 -32.331 1.00 0.00 ? 42 HIS A HD1 12 ATOM 7721 H HD2 . HIS A 1 42 ? 11.060 10.373 -35.107 1.00 0.00 ? 42 HIS A HD2 12 ATOM 7722 H HE1 . HIS A 1 42 ? 13.601 7.038 -34.457 1.00 0.00 ? 42 HIS A HE1 12 ATOM 7723 N N . CYS A 1 43 ? 8.801 8.566 -29.190 1.00 0.00 ? 43 CYS A N 12 ATOM 7724 C CA . CYS A 1 43 ? 8.336 9.064 -27.901 1.00 0.00 ? 43 CYS A CA 12 ATOM 7725 C C . CYS A 1 43 ? 9.511 9.347 -26.971 1.00 0.00 ? 43 CYS A C 12 ATOM 7726 O O . CYS A 1 43 ? 9.321 9.985 -25.936 1.00 0.00 ? 43 CYS A O 12 ATOM 7727 C CB . CYS A 1 43 ? 7.389 8.052 -27.252 1.00 0.00 ? 43 CYS A CB 12 ATOM 7728 S SG . CYS A 1 43 ? 8.210 6.535 -26.666 1.00 0.00 ? 43 CYS A SG 12 ATOM 7729 H H . CYS A 1 43 ? 8.507 7.681 -29.495 1.00 0.00 ? 43 CYS A H 12 ATOM 7730 H HA . CYS A 1 43 ? 7.800 9.985 -28.075 1.00 0.00 ? 43 CYS A HA 12 ATOM 7731 H HB2 . CYS A 1 43 ? 6.909 8.514 -26.402 1.00 0.00 ? 43 CYS A HB2 12 ATOM 7732 H HB3 . CYS A 1 43 ? 6.636 7.763 -27.971 1.00 0.00 ? 43 CYS A HB3 12 HETATM 7733 C C1 . NAG B 2 . ? 6.063 19.205 -20.540 1.00 0.00 ? 101 NAG A C1 12 HETATM 7734 C C2 . NAG B 2 . ? 6.442 20.271 -19.510 1.00 0.00 ? 101 NAG A C2 12 HETATM 7735 C C3 . NAG B 2 . ? 6.934 21.523 -20.243 1.00 0.00 ? 101 NAG A C3 12 HETATM 7736 C C4 . NAG B 2 . ? 8.053 21.119 -21.209 1.00 0.00 ? 101 NAG A C4 12 HETATM 7737 C C5 . NAG B 2 . ? 7.552 19.988 -22.110 1.00 0.00 ? 101 NAG A C5 12 HETATM 7738 C C6 . NAG B 2 . ? 8.653 19.600 -23.099 1.00 0.00 ? 101 NAG A C6 12 HETATM 7739 C C7 . NAG B 2 . ? 5.021 19.928 -17.561 1.00 0.00 ? 101 NAG A C7 12 HETATM 7740 C C8 . NAG B 2 . ? 3.817 20.274 -16.725 1.00 0.00 ? 101 NAG A C8 12 HETATM 7741 N N2 . NAG B 2 . ? 5.272 20.607 -18.698 1.00 0.00 ? 101 NAG A N2 12 HETATM 7742 O O3 . NAG B 2 . ? 7.435 22.473 -19.302 1.00 0.00 ? 101 NAG A O3 12 HETATM 7743 O O4 . NAG B 2 . ? 8.425 22.240 -22.012 1.00 0.00 ? 101 NAG A O4 12 HETATM 7744 O O5 . NAG B 2 . ? 7.206 18.855 -21.316 1.00 0.00 ? 101 NAG A O5 12 HETATM 7745 O O6 . NAG B 2 . ? 8.185 18.549 -23.945 1.00 0.00 ? 101 NAG A O6 12 HETATM 7746 O O7 . NAG B 2 . ? 5.766 19.038 -17.211 1.00 0.00 ? 101 NAG A O7 12 HETATM 7747 H H1 . NAG B 2 . ? 5.281 19.603 -21.203 1.00 0.00 ? 101 NAG A H1 12 HETATM 7748 H H2 . NAG B 2 . ? 7.239 19.886 -18.856 1.00 0.00 ? 101 NAG A H2 12 HETATM 7749 H H3 . NAG B 2 . ? 6.101 21.979 -20.799 1.00 0.00 ? 101 NAG A H3 12 HETATM 7750 H H4 . NAG B 2 . ? 8.929 20.778 -20.637 1.00 0.00 ? 101 NAG A H4 12 HETATM 7751 H H5 . NAG B 2 . ? 6.663 20.329 -22.661 1.00 0.00 ? 101 NAG A H5 12 HETATM 7752 H H61 . NAG B 2 . ? 8.942 20.473 -23.705 1.00 0.00 ? 101 NAG A H61 12 HETATM 7753 H H62 . NAG B 2 . ? 9.552 19.275 -22.554 1.00 0.00 ? 101 NAG A H62 12 HETATM 7754 H H81 . NAG B 2 . ? 3.715 21.368 -16.663 1.00 0.00 ? 101 NAG A H81 12 HETATM 7755 H H82 . NAG B 2 . ? 2.914 19.849 -17.188 1.00 0.00 ? 101 NAG A H82 12 HETATM 7756 H H83 . NAG B 2 . ? 3.940 19.859 -15.714 1.00 0.00 ? 101 NAG A H83 12 HETATM 7757 H HN2 . NAG B 2 . ? 4.658 21.341 -18.987 1.00 0.00 ? 101 NAG A HN2 12 HETATM 7758 H HO3 . NAG B 2 . ? 7.756 23.287 -19.786 1.00 0.00 ? 101 NAG A HO3 12 HETATM 7759 H HO4 . NAG B 2 . ? 9.392 22.167 -22.259 1.00 0.00 ? 101 NAG A HO4 12 HETATM 7760 H HO6 . NAG B 2 . ? 7.595 17.935 -23.420 1.00 0.00 ? 101 NAG A HO6 12 HETATM 7761 C C1 . NAG C 2 . ? 7.309 4.766 -26.744 1.00 0.00 ? 102 NAG A C1 12 HETATM 7762 C C2 . NAG C 2 . ? 6.257 3.678 -26.963 1.00 0.00 ? 102 NAG A C2 12 HETATM 7763 C C3 . NAG C 2 . ? 6.641 2.437 -26.151 1.00 0.00 ? 102 NAG A C3 12 HETATM 7764 C C4 . NAG C 2 . ? 8.077 2.041 -26.512 1.00 0.00 ? 102 NAG A C4 12 HETATM 7765 C C5 . NAG C 2 . ? 8.992 3.253 -26.326 1.00 0.00 ? 102 NAG A C5 12 HETATM 7766 C C6 . NAG C 2 . ? 10.433 2.856 -26.653 1.00 0.00 ? 102 NAG A C6 12 HETATM 7767 C C7 . NAG C 2 . ? 4.137 4.801 -27.391 1.00 0.00 ? 102 NAG A C7 12 HETATM 7768 C C8 . NAG C 2 . ? 2.791 5.302 -26.939 1.00 0.00 ? 102 NAG A C8 12 HETATM 7769 N N2 . NAG C 2 . ? 4.948 4.164 -26.523 1.00 0.00 ? 102 NAG A N2 12 HETATM 7770 O O3 . NAG C 2 . ? 5.756 1.359 -26.460 1.00 0.00 ? 102 NAG A O3 12 HETATM 7771 O O4 . NAG C 2 . ? 8.512 0.980 -25.660 1.00 0.00 ? 102 NAG A O4 12 HETATM 7772 O O5 . NAG C 2 . ? 8.581 4.306 -27.195 1.00 0.00 ? 102 NAG A O5 12 HETATM 7773 O O6 . NAG C 2 . ? 11.290 3.986 -26.475 1.00 0.00 ? 102 NAG A O6 12 HETATM 7774 O O7 . NAG C 2 . ? 4.492 4.970 -28.538 1.00 0.00 ? 102 NAG A O7 12 HETATM 7775 H H1 . NAG C 2 . ? 7.368 5.002 -25.671 1.00 0.00 ? 102 NAG A H1 12 HETATM 7776 H H2 . NAG C 2 . ? 6.207 3.422 -28.033 1.00 0.00 ? 102 NAG A H2 12 HETATM 7777 H H3 . NAG C 2 . ? 6.568 2.659 -25.076 1.00 0.00 ? 102 NAG A H3 12 HETATM 7778 H H4 . NAG C 2 . ? 8.116 1.702 -27.558 1.00 0.00 ? 102 NAG A H4 12 HETATM 7779 H H5 . NAG C 2 . ? 8.931 3.599 -25.283 1.00 0.00 ? 102 NAG A H5 12 HETATM 7780 H H61 . NAG C 2 . ? 10.755 2.031 -26.000 1.00 0.00 ? 102 NAG A H61 12 HETATM 7781 H H62 . NAG C 2 . ? 10.499 2.492 -27.689 1.00 0.00 ? 102 NAG A H62 12 HETATM 7782 H H81 . NAG C 2 . ? 2.894 5.802 -25.965 1.00 0.00 ? 102 NAG A H81 12 HETATM 7783 H H82 . NAG C 2 . ? 2.398 6.015 -27.677 1.00 0.00 ? 102 NAG A H82 12 HETATM 7784 H H83 . NAG C 2 . ? 2.096 4.454 -26.843 1.00 0.00 ? 102 NAG A H83 12 HETATM 7785 H HN2 . NAG C 2 . ? 4.655 4.024 -25.577 1.00 0.00 ? 102 NAG A HN2 12 HETATM 7786 H HO3 . NAG C 2 . ? 6.013 0.552 -25.928 1.00 0.00 ? 102 NAG A HO3 12 HETATM 7787 H HO4 . NAG C 2 . ? 9.172 0.408 -26.149 1.00 0.00 ? 102 NAG A HO4 12 HETATM 7788 H HO6 . NAG C 2 . ? 10.809 4.817 -26.754 1.00 0.00 ? 102 NAG A HO6 12 ATOM 7789 N N . LYS A 1 1 ? 2.352 -1.708 -3.378 1.00 0.00 ? 1 LYS A N 13 ATOM 7790 C CA . LYS A 1 1 ? 2.741 -1.264 -4.712 1.00 0.00 ? 1 LYS A CA 13 ATOM 7791 C C . LYS A 1 1 ? 4.259 -1.191 -4.840 1.00 0.00 ? 1 LYS A C 13 ATOM 7792 O O . LYS A 1 1 ? 4.987 -1.118 -3.850 1.00 0.00 ? 1 LYS A O 13 ATOM 7793 C CB . LYS A 1 1 ? 2.126 0.104 -5.016 1.00 0.00 ? 1 LYS A CB 13 ATOM 7794 C CG . LYS A 1 1 ? 0.708 0.027 -5.556 1.00 0.00 ? 1 LYS A CG 13 ATOM 7795 C CD . LYS A 1 1 ? 0.302 1.321 -6.241 1.00 0.00 ? 1 LYS A CD 13 ATOM 7796 C CE . LYS A 1 1 ? -1.196 1.561 -6.134 1.00 0.00 ? 1 LYS A CE 13 ATOM 7797 N NZ . LYS A 1 1 ? -1.685 2.493 -7.188 1.00 0.00 ? 1 LYS A NZ 13 ATOM 7798 H H1 . LYS A 1 1 ? 1.401 -1.738 -3.143 1.00 0.00 ? 1 LYS A H1 13 ATOM 7799 H HA . LYS A 1 1 ? 2.366 -1.984 -5.423 1.00 0.00 ? 1 LYS A HA 13 ATOM 7800 H HB2 . LYS A 1 1 ? 2.112 0.688 -4.108 1.00 0.00 ? 1 LYS A HB2 13 ATOM 7801 H HB3 . LYS A 1 1 ? 2.741 0.607 -5.748 1.00 0.00 ? 1 LYS A HB3 13 ATOM 7802 H HG2 . LYS A 1 1 ? 0.648 -0.780 -6.270 1.00 0.00 ? 1 LYS A HG2 13 ATOM 7803 H HG3 . LYS A 1 1 ? 0.031 -0.164 -4.736 1.00 0.00 ? 1 LYS A HG3 13 ATOM 7804 H HD2 . LYS A 1 1 ? 0.821 2.144 -5.773 1.00 0.00 ? 1 LYS A HD2 13 ATOM 7805 H HD3 . LYS A 1 1 ? 0.576 1.267 -7.285 1.00 0.00 ? 1 LYS A HD3 13 ATOM 7806 H HE2 . LYS A 1 1 ? -1.707 0.616 -6.237 1.00 0.00 ? 1 LYS A HE2 13 ATOM 7807 H HE3 . LYS A 1 1 ? -1.412 1.983 -5.164 1.00 0.00 ? 1 LYS A HE3 13 ATOM 7808 H HZ1 . LYS A 1 1 ? -1.105 3.356 -7.199 1.00 0.00 ? 1 LYS A HZ1 13 ATOM 7809 H HZ2 . LYS A 1 1 ? -2.674 2.755 -7.001 1.00 0.00 ? 1 LYS A HZ2 13 ATOM 7810 H HZ3 . LYS A 1 1 ? -1.629 2.038 -8.121 1.00 0.00 ? 1 LYS A HZ3 13 ATOM 7811 N N . PRO A 1 2 ? 4.750 -1.208 -6.088 1.00 0.00 ? 2 PRO A N 13 ATOM 7812 C CA . PRO A 1 2 ? 6.186 -1.142 -6.375 1.00 0.00 ? 2 PRO A CA 13 ATOM 7813 C C . PRO A 1 2 ? 6.779 0.226 -6.056 1.00 0.00 ? 2 PRO A C 13 ATOM 7814 O O . PRO A 1 2 ? 6.130 1.063 -5.428 1.00 0.00 ? 2 PRO A O 13 ATOM 7815 C CB . PRO A 1 2 ? 6.261 -1.420 -7.878 1.00 0.00 ? 2 PRO A CB 13 ATOM 7816 C CG . PRO A 1 2 ? 4.932 -1.001 -8.407 1.00 0.00 ? 2 PRO A CG 13 ATOM 7817 C CD . PRO A 1 2 ? 3.941 -1.293 -7.315 1.00 0.00 ? 2 PRO A CD 13 ATOM 7818 H HA . PRO A 1 2 ? 6.733 -1.904 -5.839 1.00 0.00 ? 2 PRO A HA 13 ATOM 7819 H HB2 . PRO A 1 2 ? 7.062 -0.840 -8.315 1.00 0.00 ? 2 PRO A HB2 13 ATOM 7820 H HB3 . PRO A 1 2 ? 6.438 -2.472 -8.045 1.00 0.00 ? 2 PRO A HB3 13 ATOM 7821 H HG2 . PRO A 1 2 ? 4.943 0.055 -8.632 1.00 0.00 ? 2 PRO A HG2 13 ATOM 7822 H HG3 . PRO A 1 2 ? 4.694 -1.571 -9.293 1.00 0.00 ? 2 PRO A HG3 13 ATOM 7823 H HD2 . PRO A 1 2 ? 3.155 -0.552 -7.311 1.00 0.00 ? 2 PRO A HD2 13 ATOM 7824 H HD3 . PRO A 1 2 ? 3.528 -2.284 -7.436 1.00 0.00 ? 2 PRO A HD3 13 ATOM 7825 N N . ALA A 1 3 ? 8.014 0.447 -6.493 1.00 0.00 ? 3 ALA A N 13 ATOM 7826 C CA . ALA A 1 3 ? 8.693 1.715 -6.256 1.00 0.00 ? 3 ALA A CA 13 ATOM 7827 C C . ALA A 1 3 ? 8.413 2.707 -7.380 1.00 0.00 ? 3 ALA A C 13 ATOM 7828 O O . ALA A 1 3 ? 9.041 3.762 -7.460 1.00 0.00 ? 3 ALA A O 13 ATOM 7829 C CB . ALA A 1 3 ? 10.190 1.493 -6.107 1.00 0.00 ? 3 ALA A CB 13 ATOM 7830 H H . ALA A 1 3 ? 8.479 -0.259 -6.988 1.00 0.00 ? 3 ALA A H 13 ATOM 7831 H HA . ALA A 1 3 ? 8.320 2.125 -5.328 1.00 0.00 ? 3 ALA A HA 13 ATOM 7832 H HB1 . ALA A 1 3 ? 10.609 1.217 -7.064 1.00 0.00 ? 3 ALA A HB1 13 ATOM 7833 H HB2 . ALA A 1 3 ? 10.656 2.402 -5.757 1.00 0.00 ? 3 ALA A HB2 13 ATOM 7834 H HB3 . ALA A 1 3 ? 10.367 0.700 -5.395 1.00 0.00 ? 3 ALA A HB3 13 ATOM 7835 N N . TRP A 1 4 ? 7.468 2.359 -8.247 1.00 0.00 ? 4 TRP A N 13 ATOM 7836 C CA . TRP A 1 4 ? 7.106 3.219 -9.368 1.00 0.00 ? 4 TRP A CA 13 ATOM 7837 C C . TRP A 1 4 ? 5.791 3.943 -9.096 1.00 0.00 ? 4 TRP A C 13 ATOM 7838 O O . TRP A 1 4 ? 5.696 5.160 -9.257 1.00 0.00 ? 4 TRP A O 13 ATOM 7839 C CB . TRP A 1 4 ? 6.993 2.397 -10.652 1.00 0.00 ? 4 TRP A CB 13 ATOM 7840 C CG . TRP A 1 4 ? 7.715 1.085 -10.583 1.00 0.00 ? 4 TRP A CG 13 ATOM 7841 C CD1 . TRP A 1 4 ? 9.005 0.879 -10.187 1.00 0.00 ? 4 TRP A CD1 13 ATOM 7842 C CD2 . TRP A 1 4 ? 7.187 -0.202 -10.921 1.00 0.00 ? 4 TRP A CD2 13 ATOM 7843 N NE1 . TRP A 1 4 ? 9.312 -0.458 -10.258 1.00 0.00 ? 4 TRP A NE1 13 ATOM 7844 C CE2 . TRP A 1 4 ? 8.213 -1.143 -10.705 1.00 0.00 ? 4 TRP A CE2 13 ATOM 7845 C CE3 . TRP A 1 4 ? 5.947 -0.652 -11.382 1.00 0.00 ? 4 TRP A CE3 13 ATOM 7846 C CZ2 . TRP A 1 4 ? 8.034 -2.504 -10.936 1.00 0.00 ? 4 TRP A CZ2 13 ATOM 7847 C CZ3 . TRP A 1 4 ? 5.772 -2.003 -11.612 1.00 0.00 ? 4 TRP A CZ3 13 ATOM 7848 C CH2 . TRP A 1 4 ? 6.810 -2.917 -11.388 1.00 0.00 ? 4 TRP A CH2 13 ATOM 7849 H H . TRP A 1 4 ? 7.002 1.505 -8.130 1.00 0.00 ? 4 TRP A H 13 ATOM 7850 H HA . TRP A 1 4 ? 7.889 3.953 -9.488 1.00 0.00 ? 4 TRP A HA 13 ATOM 7851 H HB2 . TRP A 1 4 ? 5.952 2.194 -10.853 1.00 0.00 ? 4 TRP A HB2 13 ATOM 7852 H HB3 . TRP A 1 4 ? 7.411 2.964 -11.472 1.00 0.00 ? 4 TRP A HB3 13 ATOM 7853 H HD1 . TRP A 1 4 ? 9.676 1.663 -9.869 1.00 0.00 ? 4 TRP A HD1 13 ATOM 7854 H HE1 . TRP A 1 4 ? 10.176 -0.857 -10.025 1.00 0.00 ? 4 TRP A HE1 13 ATOM 7855 H HE3 . TRP A 1 4 ? 5.134 0.037 -11.561 1.00 0.00 ? 4 TRP A HE3 13 ATOM 7856 H HZ2 . TRP A 1 4 ? 8.825 -3.221 -10.768 1.00 0.00 ? 4 TRP A HZ2 13 ATOM 7857 H HZ3 . TRP A 1 4 ? 4.821 -2.369 -11.970 1.00 0.00 ? 4 TRP A HZ3 13 ATOM 7858 H HH2 . TRP A 1 4 ? 6.629 -3.963 -11.582 1.00 0.00 ? 4 TRP A HH2 13 ATOM 7859 N N . CYS A 1 5 ? 4.779 3.187 -8.684 1.00 0.00 ? 5 CYS A N 13 ATOM 7860 C CA . CYS A 1 5 ? 3.469 3.757 -8.390 1.00 0.00 ? 5 CYS A CA 13 ATOM 7861 C C . CYS A 1 5 ? 3.405 4.260 -6.950 1.00 0.00 ? 5 CYS A C 13 ATOM 7862 O O . CYS A 1 5 ? 4.425 4.341 -6.265 1.00 0.00 ? 5 CYS A O 13 ATOM 7863 C CB . CYS A 1 5 ? 2.373 2.716 -8.627 1.00 0.00 ? 5 CYS A CB 13 ATOM 7864 S SG . CYS A 1 5 ? 2.581 1.753 -10.159 1.00 0.00 ? 5 CYS A SG 13 ATOM 7865 H H . CYS A 1 5 ? 4.916 2.222 -8.574 1.00 0.00 ? 5 CYS A H 13 ATOM 7866 H HA . CYS A 1 5 ? 3.313 4.591 -9.057 1.00 0.00 ? 5 CYS A HA 13 ATOM 7867 H HB2 . CYS A 1 5 ? 2.363 2.020 -7.801 1.00 0.00 ? 5 CYS A HB2 13 ATOM 7868 H HB3 . CYS A 1 5 ? 1.418 3.217 -8.680 1.00 0.00 ? 5 CYS A HB3 13 ATOM 7869 N N . TRP A 1 6 ? 2.202 4.595 -6.500 1.00 0.00 ? 6 TRP A N 13 ATOM 7870 C CA . TRP A 1 6 ? 2.005 5.090 -5.142 1.00 0.00 ? 6 TRP A CA 13 ATOM 7871 C C . TRP A 1 6 ? 0.567 4.867 -4.685 1.00 0.00 ? 6 TRP A C 13 ATOM 7872 O O . TRP A 1 6 ? 0.322 4.489 -3.540 1.00 0.00 ? 6 TRP A O 13 ATOM 7873 C CB . TRP A 1 6 ? 2.353 6.577 -5.064 1.00 0.00 ? 6 TRP A CB 13 ATOM 7874 C CG . TRP A 1 6 ? 3.123 6.942 -3.831 1.00 0.00 ? 6 TRP A CG 13 ATOM 7875 C CD1 . TRP A 1 6 ? 4.452 7.248 -3.754 1.00 0.00 ? 6 TRP A CD1 13 ATOM 7876 C CD2 . TRP A 1 6 ? 2.610 7.038 -2.497 1.00 0.00 ? 6 TRP A CD2 13 ATOM 7877 N NE1 . TRP A 1 6 ? 4.796 7.528 -2.454 1.00 0.00 ? 6 TRP A NE1 13 ATOM 7878 C CE2 . TRP A 1 6 ? 3.684 7.407 -1.663 1.00 0.00 ? 6 TRP A CE2 13 ATOM 7879 C CE3 . TRP A 1 6 ? 1.348 6.850 -1.927 1.00 0.00 ? 6 TRP A CE3 13 ATOM 7880 C CZ2 . TRP A 1 6 ? 3.531 7.590 -0.292 1.00 0.00 ? 6 TRP A CZ2 13 ATOM 7881 C CZ3 . TRP A 1 6 ? 1.199 7.031 -0.565 1.00 0.00 ? 6 TRP A CZ3 13 ATOM 7882 C CH2 . TRP A 1 6 ? 2.285 7.399 0.240 1.00 0.00 ? 6 TRP A CH2 13 ATOM 7883 H H . TRP A 1 6 ? 1.427 4.508 -7.095 1.00 0.00 ? 6 TRP A H 13 ATOM 7884 H HA . TRP A 1 6 ? 2.667 4.539 -4.490 1.00 0.00 ? 6 TRP A HA 13 ATOM 7885 H HB2 . TRP A 1 6 ? 2.951 6.846 -5.922 1.00 0.00 ? 6 TRP A HB2 13 ATOM 7886 H HB3 . TRP A 1 6 ? 1.440 7.154 -5.071 1.00 0.00 ? 6 TRP A HB3 13 ATOM 7887 H HD1 . TRP A 1 6 ? 5.122 7.262 -4.600 1.00 0.00 ? 6 TRP A HD1 13 ATOM 7888 H HE1 . TRP A 1 6 ? 5.692 7.776 -2.143 1.00 0.00 ? 6 TRP A HE1 13 ATOM 7889 H HE3 . TRP A 1 6 ? 0.499 6.567 -2.531 1.00 0.00 ? 6 TRP A HE3 13 ATOM 7890 H HZ2 . TRP A 1 6 ? 4.359 7.873 0.343 1.00 0.00 ? 6 TRP A HZ2 13 ATOM 7891 H HZ3 . TRP A 1 6 ? 0.231 6.890 -0.107 1.00 0.00 ? 6 TRP A HZ3 13 ATOM 7892 H HH2 . TRP A 1 6 ? 2.122 7.529 1.299 1.00 0.00 ? 6 TRP A HH2 13 ATOM 7893 N N . TYR A 1 7 ? -0.379 5.103 -5.587 1.00 0.00 ? 7 TYR A N 13 ATOM 7894 C CA . TYR A 1 7 ? -1.793 4.930 -5.275 1.00 0.00 ? 7 TYR A CA 13 ATOM 7895 C C . TYR A 1 7 ? -2.661 5.239 -6.491 1.00 0.00 ? 7 TYR A C 13 ATOM 7896 O O . TYR A 1 7 ? -2.160 5.381 -7.608 1.00 0.00 ? 7 TYR A O 13 ATOM 7897 C CB . TYR A 1 7 ? -2.193 5.833 -4.107 1.00 0.00 ? 7 TYR A CB 13 ATOM 7898 C CG . TYR A 1 7 ? -3.108 5.161 -3.108 1.00 0.00 ? 7 TYR A CG 13 ATOM 7899 C CD1 . TYR A 1 7 ? -2.731 3.984 -2.473 1.00 0.00 ? 7 TYR A CD1 13 ATOM 7900 C CD2 . TYR A 1 7 ? -4.350 5.702 -2.801 1.00 0.00 ? 7 TYR A CD2 13 ATOM 7901 C CE1 . TYR A 1 7 ? -3.564 3.366 -1.561 1.00 0.00 ? 7 TYR A CE1 13 ATOM 7902 C CE2 . TYR A 1 7 ? -5.189 5.092 -1.888 1.00 0.00 ? 7 TYR A CE2 13 ATOM 7903 C CZ . TYR A 1 7 ? -4.791 3.924 -1.271 1.00 0.00 ? 7 TYR A CZ 13 ATOM 7904 O OH . TYR A 1 7 ? -5.625 3.312 -0.363 1.00 0.00 ? 7 TYR A OH 13 ATOM 7905 H H . TYR A 1 7 ? -0.121 5.402 -6.484 1.00 0.00 ? 7 TYR A H 13 ATOM 7906 H HA . TYR A 1 7 ? -1.946 3.900 -4.990 1.00 0.00 ? 7 TYR A HA 13 ATOM 7907 H HB2 . TYR A 1 7 ? -1.304 6.146 -3.582 1.00 0.00 ? 7 TYR A HB2 13 ATOM 7908 H HB3 . TYR A 1 7 ? -2.703 6.703 -4.492 1.00 0.00 ? 7 TYR A HB3 13 ATOM 7909 H HD1 . TYR A 1 7 ? -1.768 3.549 -2.702 1.00 0.00 ? 7 TYR A HD1 13 ATOM 7910 H HD2 . TYR A 1 7 ? -4.658 6.617 -3.286 1.00 0.00 ? 7 TYR A HD2 13 ATOM 7911 H HE1 . TYR A 1 7 ? -3.253 2.452 -1.077 1.00 0.00 ? 7 TYR A HE1 13 ATOM 7912 H HE2 . TYR A 1 7 ? -6.150 5.528 -1.662 1.00 0.00 ? 7 TYR A HE2 13 ATOM 7913 H HH . TYR A 1 7 ? -6.486 3.172 -0.763 1.00 0.00 ? 7 TYR A HH 13 ATOM 7914 N N . THR A 1 8 ? -3.967 5.342 -6.267 1.00 0.00 ? 8 THR A N 13 ATOM 7915 C CA . THR A 1 8 ? -4.907 5.633 -7.342 1.00 0.00 ? 8 THR A CA 13 ATOM 7916 C C . THR A 1 8 ? -5.242 7.119 -7.392 1.00 0.00 ? 8 THR A C 13 ATOM 7917 O O . THR A 1 8 ? -6.297 7.511 -7.893 1.00 0.00 ? 8 THR A O 13 ATOM 7918 C CB . THR A 1 8 ? -6.211 4.829 -7.182 1.00 0.00 ? 8 THR A CB 13 ATOM 7919 O OG1 . THR A 1 8 ? -5.917 3.505 -6.721 1.00 0.00 ? 8 THR A OG1 13 ATOM 7920 C CG2 . THR A 1 8 ? -6.967 4.756 -8.500 1.00 0.00 ? 8 THR A CG2 13 ATOM 7921 H H . THR A 1 8 ? -4.306 5.218 -5.356 1.00 0.00 ? 8 THR A H 13 ATOM 7922 H HA . THR A 1 8 ? -4.444 5.347 -8.276 1.00 0.00 ? 8 THR A HA 13 ATOM 7923 H HB . THR A 1 8 ? -6.835 5.325 -6.453 1.00 0.00 ? 8 THR A HB 13 ATOM 7924 H HG1 . THR A 1 8 ? -6.474 3.298 -5.967 1.00 0.00 ? 8 THR A HG1 13 ATOM 7925 H HG21 . THR A 1 8 ? -7.996 5.042 -8.340 1.00 0.00 ? 8 THR A HG21 13 ATOM 7926 H HG22 . THR A 1 8 ? -6.930 3.746 -8.881 1.00 0.00 ? 8 THR A HG22 13 ATOM 7927 H HG23 . THR A 1 8 ? -6.513 5.428 -9.213 1.00 0.00 ? 8 THR A HG23 13 ATOM 7928 N N . LEU A 1 9 ? -4.339 7.942 -6.871 1.00 0.00 ? 9 LEU A N 13 ATOM 7929 C CA . LEU A 1 9 ? -4.540 9.387 -6.857 1.00 0.00 ? 9 LEU A CA 13 ATOM 7930 C C . LEU A 1 9 ? -4.624 9.939 -8.276 1.00 0.00 ? 9 LEU A C 13 ATOM 7931 O O . LEU A 1 9 ? -5.379 10.873 -8.545 1.00 0.00 ? 9 LEU A O 13 ATOM 7932 C CB . LEU A 1 9 ? -3.402 10.072 -6.098 1.00 0.00 ? 9 LEU A CB 13 ATOM 7933 C CG . LEU A 1 9 ? -3.497 10.040 -4.572 1.00 0.00 ? 9 LEU A CG 13 ATOM 7934 C CD1 . LEU A 1 9 ? -2.301 10.741 -3.947 1.00 0.00 ? 9 LEU A CD1 13 ATOM 7935 C CD2 . LEU A 1 9 ? -4.797 10.681 -4.106 1.00 0.00 ? 9 LEU A CD2 13 ATOM 7936 H H . LEU A 1 9 ? -3.518 7.571 -6.487 1.00 0.00 ? 9 LEU A H 13 ATOM 7937 H HA . LEU A 1 9 ? -5.471 9.587 -6.349 1.00 0.00 ? 9 LEU A HA 13 ATOM 7938 H HB2 . LEU A 1 9 ? -2.478 9.590 -6.381 1.00 0.00 ? 9 LEU A HB2 13 ATOM 7939 H HB3 . LEU A 1 9 ? -3.375 11.107 -6.407 1.00 0.00 ? 9 LEU A HB3 13 ATOM 7940 H HG . LEU A 1 9 ? -3.492 9.011 -4.239 1.00 0.00 ? 9 LEU A HG 13 ATOM 7941 H HD11 . LEU A 1 9 ? -1.815 11.355 -4.690 1.00 0.00 ? 9 LEU A HD11 13 ATOM 7942 H HD12 . LEU A 1 9 ? -1.604 10.003 -3.579 1.00 0.00 ? 9 LEU A HD12 13 ATOM 7943 H HD13 . LEU A 1 9 ? -2.635 11.361 -3.128 1.00 0.00 ? 9 LEU A HD13 13 ATOM 7944 H HD21 . LEU A 1 9 ? -5.630 10.060 -4.399 1.00 0.00 ? 9 LEU A HD21 13 ATOM 7945 H HD22 . LEU A 1 9 ? -4.898 11.657 -4.557 1.00 0.00 ? 9 LEU A HD22 13 ATOM 7946 H HD23 . LEU A 1 9 ? -4.782 10.782 -3.030 1.00 0.00 ? 9 LEU A HD23 13 ATOM 7947 N N . ALA A 1 10 ? -3.846 9.354 -9.181 1.00 0.00 ? 10 ALA A N 13 ATOM 7948 C CA . ALA A 1 10 ? -3.836 9.784 -10.573 1.00 0.00 ? 10 ALA A CA 13 ATOM 7949 C C . ALA A 1 10 ? -3.296 11.204 -10.705 1.00 0.00 ? 10 ALA A C 13 ATOM 7950 O O . ALA A 1 10 ? -4.014 12.115 -11.117 1.00 0.00 ? 10 ALA A O 13 ATOM 7951 C CB . ALA A 1 10 ? -5.235 9.693 -11.164 1.00 0.00 ? 10 ALA A CB 13 ATOM 7952 H H . ALA A 1 10 ? -3.266 8.614 -8.905 1.00 0.00 ? 10 ALA A H 13 ATOM 7953 H HA . ALA A 1 10 ? -3.194 9.113 -11.125 1.00 0.00 ? 10 ALA A HA 13 ATOM 7954 H HB1 . ALA A 1 10 ? -5.166 9.567 -12.235 1.00 0.00 ? 10 ALA A HB1 13 ATOM 7955 H HB2 . ALA A 1 10 ? -5.753 8.848 -10.734 1.00 0.00 ? 10 ALA A HB2 13 ATOM 7956 H HB3 . ALA A 1 10 ? -5.779 10.599 -10.942 1.00 0.00 ? 10 ALA A HB3 13 ATOM 7957 N N . MET A 1 11 ? -2.028 11.385 -10.352 1.00 0.00 ? 11 MET A N 13 ATOM 7958 C CA . MET A 1 11 ? -1.392 12.695 -10.432 1.00 0.00 ? 11 MET A CA 13 ATOM 7959 C C . MET A 1 11 ? -1.275 13.155 -11.881 1.00 0.00 ? 11 MET A C 13 ATOM 7960 O O . MET A 1 11 ? -1.914 14.126 -12.289 1.00 0.00 ? 11 MET A O 13 ATOM 7961 C CB . MET A 1 11 ? -0.006 12.653 -9.785 1.00 0.00 ? 11 MET A CB 13 ATOM 7962 C CG . MET A 1 11 ? -0.041 12.364 -8.293 1.00 0.00 ? 11 MET A CG 13 ATOM 7963 S SD . MET A 1 11 ? 1.483 11.607 -7.697 1.00 0.00 ? 11 MET A SD 13 ATOM 7964 C CE . MET A 1 11 ? 0.926 9.938 -7.366 1.00 0.00 ? 11 MET A CE 13 ATOM 7965 H H . MET A 1 11 ? -1.506 10.620 -10.031 1.00 0.00 ? 11 MET A H 13 ATOM 7966 H HA . MET A 1 11 ? -2.011 13.396 -9.892 1.00 0.00 ? 11 MET A HA 13 ATOM 7967 H HB2 . MET A 1 11 ? 0.579 11.884 -10.265 1.00 0.00 ? 11 MET A HB2 13 ATOM 7968 H HB3 . MET A 1 11 ? 0.476 13.608 -9.932 1.00 0.00 ? 11 MET A HB3 13 ATOM 7969 H HG2 . MET A 1 11 ? -0.196 13.291 -7.762 1.00 0.00 ? 11 MET A HG2 13 ATOM 7970 H HG3 . MET A 1 11 ? -0.863 11.694 -8.090 1.00 0.00 ? 11 MET A HG3 13 ATOM 7971 H HE1 . MET A 1 11 ? 1.751 9.251 -7.490 1.00 0.00 ? 11 MET A HE1 13 ATOM 7972 H HE2 . MET A 1 11 ? 0.555 9.875 -6.353 1.00 0.00 ? 11 MET A HE2 13 ATOM 7973 H HE3 . MET A 1 11 ? 0.135 9.679 -8.055 1.00 0.00 ? 11 MET A HE3 13 ATOM 7974 N N . CYS A 1 12 ? -0.456 12.453 -12.656 1.00 0.00 ? 12 CYS A N 13 ATOM 7975 C CA . CYS A 1 12 ? -0.254 12.789 -14.061 1.00 0.00 ? 12 CYS A CA 13 ATOM 7976 C C . CYS A 1 12 ? -1.590 12.906 -14.789 1.00 0.00 ? 12 CYS A C 13 ATOM 7977 O O . CYS A 1 12 ? -2.587 12.311 -14.380 1.00 0.00 ? 12 CYS A O 13 ATOM 7978 C CB . CYS A 1 12 ? 0.618 11.731 -14.740 1.00 0.00 ? 12 CYS A CB 13 ATOM 7979 S SG . CYS A 1 12 ? -0.238 10.155 -15.059 1.00 0.00 ? 12 CYS A SG 13 ATOM 7980 H H . CYS A 1 12 ? 0.026 11.688 -12.274 1.00 0.00 ? 12 CYS A H 13 ATOM 7981 H HA . CYS A 1 12 ? 0.250 13.742 -14.105 1.00 0.00 ? 12 CYS A HA 13 ATOM 7982 H HB2 . CYS A 1 12 ? 0.962 12.115 -15.690 1.00 0.00 ? 12 CYS A HB2 13 ATOM 7983 H HB3 . CYS A 1 12 ? 1.471 11.522 -14.112 1.00 0.00 ? 12 CYS A HB3 13 ATOM 7984 N N . GLY A 1 13 ? -1.602 13.679 -15.871 1.00 0.00 ? 13 GLY A N 13 ATOM 7985 C CA . GLY A 1 13 ? -2.820 13.861 -16.639 1.00 0.00 ? 13 GLY A CA 13 ATOM 7986 C C . GLY A 1 13 ? -3.602 15.085 -16.205 1.00 0.00 ? 13 GLY A C 13 ATOM 7987 O O . GLY A 1 13 ? -4.363 15.653 -16.987 1.00 0.00 ? 13 GLY A O 13 ATOM 7988 H H . GLY A 1 13 ? -0.778 14.130 -16.150 1.00 0.00 ? 13 GLY A H 13 ATOM 7989 H HA2 . GLY A 1 13 ? -2.563 13.963 -17.682 1.00 0.00 ? 13 GLY A HA2 13 ATOM 7990 H HA3 . GLY A 1 13 ? -3.444 12.988 -16.516 1.00 0.00 ? 13 GLY A HA3 13 ATOM 7991 N N . ALA A 1 14 ? -3.416 15.491 -14.953 1.00 0.00 ? 14 ALA A N 13 ATOM 7992 C CA . ALA A 1 14 ? -4.109 16.655 -14.416 1.00 0.00 ? 14 ALA A CA 13 ATOM 7993 C C . ALA A 1 14 ? -3.168 17.850 -14.300 1.00 0.00 ? 14 ALA A C 13 ATOM 7994 O O . ALA A 1 14 ? -3.376 18.737 -13.474 1.00 0.00 ? 14 ALA A O 13 ATOM 7995 C CB . ALA A 1 14 ? -4.720 16.328 -13.062 1.00 0.00 ? 14 ALA A CB 13 ATOM 7996 H H . ALA A 1 14 ? -2.796 14.997 -14.377 1.00 0.00 ? 14 ALA A H 13 ATOM 7997 H HA . ALA A 1 14 ? -4.912 16.907 -15.094 1.00 0.00 ? 14 ALA A HA 13 ATOM 7998 H HB1 . ALA A 1 14 ? -5.164 17.220 -12.643 1.00 0.00 ? 14 ALA A HB1 13 ATOM 7999 H HB2 . ALA A 1 14 ? -5.480 15.571 -13.183 1.00 0.00 ? 14 ALA A HB2 13 ATOM 8000 H HB3 . ALA A 1 14 ? -3.950 15.963 -12.399 1.00 0.00 ? 14 ALA A HB3 13 ATOM 8001 N N . GLY A 1 15 ? -2.132 17.864 -15.132 1.00 0.00 ? 15 GLY A N 13 ATOM 8002 C CA . GLY A 1 15 ? -1.174 18.954 -15.105 1.00 0.00 ? 15 GLY A CA 13 ATOM 8003 C C . GLY A 1 15 ? 0.128 18.565 -14.432 1.00 0.00 ? 15 GLY A C 13 ATOM 8004 O O . GLY A 1 15 ? 1.151 19.226 -14.615 1.00 0.00 ? 15 GLY A O 13 ATOM 8005 H H . GLY A 1 15 ? -2.017 17.129 -15.770 1.00 0.00 ? 15 GLY A H 13 ATOM 8006 H HA2 . GLY A 1 15 ? -0.965 19.261 -16.119 1.00 0.00 ? 15 GLY A HA2 13 ATOM 8007 H HA3 . GLY A 1 15 ? -1.607 19.786 -14.570 1.00 0.00 ? 15 GLY A HA3 13 ATOM 8008 N N . TYR A 1 16 ? 0.090 17.491 -13.651 1.00 0.00 ? 16 TYR A N 13 ATOM 8009 C CA . TYR A 1 16 ? 1.275 17.018 -12.946 1.00 0.00 ? 16 TYR A CA 13 ATOM 8010 C C . TYR A 1 16 ? 2.398 16.688 -13.925 1.00 0.00 ? 16 TYR A C 13 ATOM 8011 O O . TYR A 1 16 ? 3.578 16.809 -13.597 1.00 0.00 ? 16 TYR A O 13 ATOM 8012 C CB . TYR A 1 16 ? 0.936 15.784 -12.108 1.00 0.00 ? 16 TYR A CB 13 ATOM 8013 C CG . TYR A 1 16 ? 0.653 16.097 -10.656 1.00 0.00 ? 16 TYR A CG 13 ATOM 8014 C CD1 . TYR A 1 16 ? -0.609 16.512 -10.247 1.00 0.00 ? 16 TYR A CD1 13 ATOM 8015 C CD2 . TYR A 1 16 ? 1.646 15.977 -9.692 1.00 0.00 ? 16 TYR A CD2 13 ATOM 8016 C CE1 . TYR A 1 16 ? -0.872 16.800 -8.922 1.00 0.00 ? 16 TYR A CE1 13 ATOM 8017 C CE2 . TYR A 1 16 ? 1.392 16.261 -8.364 1.00 0.00 ? 16 TYR A CE2 13 ATOM 8018 C CZ . TYR A 1 16 ? 0.131 16.673 -7.985 1.00 0.00 ? 16 TYR A CZ 13 ATOM 8019 O OH . TYR A 1 16 ? -0.127 16.957 -6.663 1.00 0.00 ? 16 TYR A OH 13 ATOM 8020 H H . TYR A 1 16 ? -0.754 17.006 -13.545 1.00 0.00 ? 16 TYR A H 13 ATOM 8021 H HA . TYR A 1 16 ? 1.607 17.807 -12.288 1.00 0.00 ? 16 TYR A HA 13 ATOM 8022 H HB2 . TYR A 1 16 ? 0.061 15.306 -12.520 1.00 0.00 ? 16 TYR A HB2 13 ATOM 8023 H HB3 . TYR A 1 16 ? 1.767 15.094 -12.142 1.00 0.00 ? 16 TYR A HB3 13 ATOM 8024 H HD1 . TYR A 1 16 ? -1.393 16.610 -10.985 1.00 0.00 ? 16 TYR A HD1 13 ATOM 8025 H HD2 . TYR A 1 16 ? 2.633 15.654 -9.993 1.00 0.00 ? 16 TYR A HD2 13 ATOM 8026 H HE1 . TYR A 1 16 ? -1.859 17.121 -8.625 1.00 0.00 ? 16 TYR A HE1 13 ATOM 8027 H HE2 . TYR A 1 16 ? 2.177 16.162 -7.630 1.00 0.00 ? 16 TYR A HE2 13 ATOM 8028 H HH . TYR A 1 16 ? -1.057 17.169 -6.558 1.00 0.00 ? 16 TYR A HH 13 ATOM 8029 N N . ASP A 1 17 ? 2.020 16.272 -15.129 1.00 0.00 ? 17 ASP A N 13 ATOM 8030 C CA . ASP A 1 17 ? 2.993 15.926 -16.158 1.00 0.00 ? 17 ASP A CA 13 ATOM 8031 C C . ASP A 1 17 ? 2.729 16.709 -17.441 1.00 0.00 ? 17 ASP A C 13 ATOM 8032 O O . ASP A 1 17 ? 1.857 17.577 -17.481 1.00 0.00 ? 17 ASP A O 13 ATOM 8033 C CB . ASP A 1 17 ? 2.953 14.424 -16.445 1.00 0.00 ? 17 ASP A CB 13 ATOM 8034 C CG . ASP A 1 17 ? 3.333 13.594 -15.235 1.00 0.00 ? 17 ASP A CG 13 ATOM 8035 O OD1 . ASP A 1 17 ? 2.719 13.788 -14.165 1.00 0.00 ? 17 ASP A OD1 13 ATOM 8036 O OD2 . ASP A 1 17 ? 4.246 12.750 -15.357 1.00 0.00 ? 17 ASP A OD2 13 ATOM 8037 H H . ASP A 1 17 ? 1.064 16.196 -15.330 1.00 0.00 ? 17 ASP A H 13 ATOM 8038 H HA . ASP A 1 17 ? 3.974 16.187 -15.789 1.00 0.00 ? 17 ASP A HA 13 ATOM 8039 H HB2 . ASP A 1 17 ? 1.953 14.149 -16.747 1.00 0.00 ? 17 ASP A HB2 13 ATOM 8040 H HB3 . ASP A 1 17 ? 3.642 14.199 -17.245 1.00 0.00 ? 17 ASP A HB3 13 ATOM 8041 N N . SER A 1 18 ? 3.487 16.395 -18.486 1.00 0.00 ? 18 SER A N 13 ATOM 8042 C CA . SER A 1 18 ? 3.338 17.072 -19.769 1.00 0.00 ? 18 SER A CA 13 ATOM 8043 C C . SER A 1 18 ? 2.223 16.436 -20.593 1.00 0.00 ? 18 SER A C 13 ATOM 8044 O O . SER A 1 18 ? 2.565 15.465 -21.267 1.00 0.00 ? 18 SER A O 13 ATOM 8045 C CB . SER A 1 18 ? 4.654 17.028 -20.549 1.00 0.00 ? 18 SER A CB 13 ATOM 8046 O OG . SER A 1 18 ? 5.601 17.930 -20.004 1.00 0.00 ? 18 SER A OG 13 ATOM 8047 H H . SER A 1 18 ? 4.166 15.694 -18.391 1.00 0.00 ? 18 SER A H 13 ATOM 8048 H HA . SER A 1 18 ? 3.081 18.103 -19.572 1.00 0.00 ? 18 SER A HA 13 ATOM 8049 H HB2 . SER A 1 18 ? 5.060 16.029 -20.507 1.00 0.00 ? 18 SER A HB2 13 ATOM 8050 H HB3 . SER A 1 18 ? 4.468 17.298 -21.579 1.00 0.00 ? 18 SER A HB3 13 ATOM 8051 N N . GLY A 1 19 ? 1.087 16.437 -19.876 1.00 0.00 ? 19 GLY A N 13 ATOM 8052 C CA . GLY A 1 19 ? 0.186 15.299 -19.898 1.00 0.00 ? 19 GLY A CA 13 ATOM 8053 C C . GLY A 1 19 ? 0.857 14.038 -20.406 1.00 0.00 ? 19 GLY A C 13 ATOM 8054 O O . GLY A 1 19 ? 0.663 13.641 -21.555 1.00 0.00 ? 19 GLY A O 13 ATOM 8055 H H . GLY A 1 19 ? 0.863 17.227 -19.342 1.00 0.00 ? 19 GLY A H 13 ATOM 8056 H HA2 . GLY A 1 19 ? -0.178 15.123 -18.897 1.00 0.00 ? 19 GLY A HA2 13 ATOM 8057 H HA3 . GLY A 1 19 ? -0.652 15.530 -20.539 1.00 0.00 ? 19 GLY A HA3 13 ATOM 8058 N N . THR A 1 20 ? 1.651 13.405 -19.548 1.00 0.00 ? 20 THR A N 13 ATOM 8059 C CA . THR A 1 20 ? 2.356 12.184 -19.916 1.00 0.00 ? 20 THR A CA 13 ATOM 8060 C C . THR A 1 20 ? 2.602 11.302 -18.697 1.00 0.00 ? 20 THR A C 13 ATOM 8061 O O . THR A 1 20 ? 2.960 11.793 -17.626 1.00 0.00 ? 20 THR A O 13 ATOM 8062 C CB . THR A 1 20 ? 3.704 12.495 -20.592 1.00 0.00 ? 20 THR A CB 13 ATOM 8063 O OG1 . THR A 1 20 ? 4.228 11.313 -21.208 1.00 0.00 ? 20 THR A OG1 13 ATOM 8064 C CG2 . THR A 1 20 ? 4.705 13.032 -19.580 1.00 0.00 ? 20 THR A CG2 13 ATOM 8065 H H . THR A 1 20 ? 1.766 13.771 -18.646 1.00 0.00 ? 20 THR A H 13 ATOM 8066 H HA . THR A 1 20 ? 1.740 11.643 -20.620 1.00 0.00 ? 20 THR A HA 13 ATOM 8067 H HB . THR A 1 20 ? 3.544 13.246 -21.352 1.00 0.00 ? 20 THR A HB 13 ATOM 8068 H HG1 . THR A 1 20 ? 4.899 11.557 -21.850 1.00 0.00 ? 20 THR A HG1 13 ATOM 8069 H HG21 . THR A 1 20 ? 4.297 13.909 -19.102 1.00 0.00 ? 20 THR A HG21 13 ATOM 8070 H HG22 . THR A 1 20 ? 5.624 13.292 -20.086 1.00 0.00 ? 20 THR A HG22 13 ATOM 8071 H HG23 . THR A 1 20 ? 4.906 12.276 -18.836 1.00 0.00 ? 20 THR A HG23 13 ATOM 8072 N N . CYS A 1 21 ? 2.410 9.999 -18.867 1.00 0.00 ? 21 CYS A N 13 ATOM 8073 C CA . CYS A 1 21 ? 2.612 9.048 -17.780 1.00 0.00 ? 21 CYS A CA 13 ATOM 8074 C C . CYS A 1 21 ? 3.479 7.877 -18.236 1.00 0.00 ? 21 CYS A C 13 ATOM 8075 O O . CYS A 1 21 ? 4.015 7.883 -19.344 1.00 0.00 ? 21 CYS A O 13 ATOM 8076 C CB . CYS A 1 21 ? 1.265 8.531 -17.270 1.00 0.00 ? 21 CYS A CB 13 ATOM 8077 S SG . CYS A 1 21 ? 0.020 9.834 -17.009 1.00 0.00 ? 21 CYS A SG 13 ATOM 8078 H H . CYS A 1 21 ? 2.125 9.667 -19.745 1.00 0.00 ? 21 CYS A H 13 ATOM 8079 H HA . CYS A 1 21 ? 3.118 9.563 -16.978 1.00 0.00 ? 21 CYS A HA 13 ATOM 8080 H HB2 . CYS A 1 21 ? 0.862 7.831 -17.987 1.00 0.00 ? 21 CYS A HB2 13 ATOM 8081 H HB3 . CYS A 1 21 ? 1.416 8.026 -16.328 1.00 0.00 ? 21 CYS A HB3 13 ATOM 8082 N N . ASP A 1 22 ? 3.610 6.875 -17.374 1.00 0.00 ? 22 ASP A N 13 ATOM 8083 C CA . ASP A 1 22 ? 4.410 5.697 -17.688 1.00 0.00 ? 22 ASP A CA 13 ATOM 8084 C C . ASP A 1 22 ? 3.912 4.480 -16.914 1.00 0.00 ? 22 ASP A C 13 ATOM 8085 O O . ASP A 1 22 ? 3.252 3.604 -17.473 1.00 0.00 ? 22 ASP A O 13 ATOM 8086 C CB . ASP A 1 22 ? 5.883 5.954 -17.365 1.00 0.00 ? 22 ASP A CB 13 ATOM 8087 C CG . ASP A 1 22 ? 6.731 6.106 -18.613 1.00 0.00 ? 22 ASP A CG 13 ATOM 8088 O OD1 . ASP A 1 22 ? 7.096 5.072 -19.211 1.00 0.00 ? 22 ASP A OD1 13 ATOM 8089 O OD2 . ASP A 1 22 ? 7.030 7.258 -18.991 1.00 0.00 ? 22 ASP A OD2 13 ATOM 8090 H H . ASP A 1 22 ? 3.158 6.929 -16.506 1.00 0.00 ? 22 ASP A H 13 ATOM 8091 H HA . ASP A 1 22 ? 4.312 5.500 -18.744 1.00 0.00 ? 22 ASP A HA 13 ATOM 8092 H HB2 . ASP A 1 22 ? 5.965 6.861 -16.785 1.00 0.00 ? 22 ASP A HB2 13 ATOM 8093 H HB3 . ASP A 1 22 ? 6.269 5.126 -16.789 1.00 0.00 ? 22 ASP A HB3 13 ATOM 8094 N N . TYR A 1 23 ? 4.234 4.432 -15.626 1.00 0.00 ? 23 TYR A N 13 ATOM 8095 C CA . TYR A 1 23 ? 3.823 3.321 -14.776 1.00 0.00 ? 23 TYR A CA 13 ATOM 8096 C C . TYR A 1 23 ? 2.304 3.275 -14.637 1.00 0.00 ? 23 TYR A C 13 ATOM 8097 O O . TYR A 1 23 ? 1.725 2.220 -14.380 1.00 0.00 ? 23 TYR A O 13 ATOM 8098 C CB . TYR A 1 23 ? 4.468 3.442 -13.395 1.00 0.00 ? 23 TYR A CB 13 ATOM 8099 C CG . TYR A 1 23 ? 5.938 3.796 -13.442 1.00 0.00 ? 23 TYR A CG 13 ATOM 8100 C CD1 . TYR A 1 23 ? 6.847 2.985 -14.108 1.00 0.00 ? 23 TYR A CD1 13 ATOM 8101 C CD2 . TYR A 1 23 ? 6.415 4.944 -12.822 1.00 0.00 ? 23 TYR A CD2 13 ATOM 8102 C CE1 . TYR A 1 23 ? 8.190 3.305 -14.153 1.00 0.00 ? 23 TYR A CE1 13 ATOM 8103 C CE2 . TYR A 1 23 ? 7.757 5.273 -12.863 1.00 0.00 ? 23 TYR A CE2 13 ATOM 8104 C CZ . TYR A 1 23 ? 8.640 4.450 -13.529 1.00 0.00 ? 23 TYR A CZ 13 ATOM 8105 O OH . TYR A 1 23 ? 9.977 4.772 -13.573 1.00 0.00 ? 23 TYR A OH 13 ATOM 8106 H H . TYR A 1 23 ? 4.763 5.160 -15.238 1.00 0.00 ? 23 TYR A H 13 ATOM 8107 H HA . TYR A 1 23 ? 4.158 2.406 -15.241 1.00 0.00 ? 23 TYR A HA 13 ATOM 8108 H HB2 . TYR A 1 23 ? 3.961 4.210 -12.833 1.00 0.00 ? 23 TYR A HB2 13 ATOM 8109 H HB3 . TYR A 1 23 ? 4.371 2.499 -12.876 1.00 0.00 ? 23 TYR A HB3 13 ATOM 8110 H HD1 . TYR A 1 23 ? 6.492 2.089 -14.596 1.00 0.00 ? 23 TYR A HD1 13 ATOM 8111 H HD2 . TYR A 1 23 ? 5.721 5.587 -12.300 1.00 0.00 ? 23 TYR A HD2 13 ATOM 8112 H HE1 . TYR A 1 23 ? 8.882 2.660 -14.675 1.00 0.00 ? 23 TYR A HE1 13 ATOM 8113 H HE2 . TYR A 1 23 ? 8.109 6.169 -12.374 1.00 0.00 ? 23 TYR A HE2 13 ATOM 8114 H HH . TYR A 1 23 ? 10.403 4.484 -12.762 1.00 0.00 ? 23 TYR A HH 13 ATOM 8115 N N . MET A 1 24 ? 1.665 4.427 -14.811 1.00 0.00 ? 24 MET A N 13 ATOM 8116 C CA . MET A 1 24 ? 0.213 4.519 -14.707 1.00 0.00 ? 24 MET A CA 13 ATOM 8117 C C . MET A 1 24 ? -0.463 3.682 -15.789 1.00 0.00 ? 24 MET A C 13 ATOM 8118 O O . MET A 1 24 ? -1.433 2.973 -15.522 1.00 0.00 ? 24 MET A O 13 ATOM 8119 C CB . MET A 1 24 ? -0.236 5.977 -14.819 1.00 0.00 ? 24 MET A CB 13 ATOM 8120 C CG . MET A 1 24 ? 0.063 6.802 -13.578 1.00 0.00 ? 24 MET A CG 13 ATOM 8121 S SD . MET A 1 24 ? 1.717 7.517 -13.601 1.00 0.00 ? 24 MET A SD 13 ATOM 8122 C CE . MET A 1 24 ? 2.573 6.429 -12.464 1.00 0.00 ? 24 MET A CE 13 ATOM 8123 H H . MET A 1 24 ? 2.181 5.235 -15.014 1.00 0.00 ? 24 MET A H 13 ATOM 8124 H HA . MET A 1 24 ? -0.074 4.136 -13.740 1.00 0.00 ? 24 MET A HA 13 ATOM 8125 H HB2 . MET A 1 24 ? 0.268 6.434 -15.658 1.00 0.00 ? 24 MET A HB2 13 ATOM 8126 H HB3 . MET A 1 24 ? -1.302 6.001 -14.992 1.00 0.00 ? 24 MET A HB3 13 ATOM 8127 H HG2 . MET A 1 24 ? -0.659 7.603 -13.511 1.00 0.00 ? 24 MET A HG2 13 ATOM 8128 H HG3 . MET A 1 24 ? -0.028 6.166 -12.710 1.00 0.00 ? 24 MET A HG3 13 ATOM 8129 H HE1 . MET A 1 24 ? 2.271 5.408 -12.648 1.00 0.00 ? 24 MET A HE1 13 ATOM 8130 H HE2 . MET A 1 24 ? 3.639 6.522 -12.610 1.00 0.00 ? 24 MET A HE2 13 ATOM 8131 H HE3 . MET A 1 24 ? 2.323 6.701 -11.449 1.00 0.00 ? 24 MET A HE3 13 ATOM 8132 N N . TYR A 1 25 ? 0.055 3.770 -17.008 1.00 0.00 ? 25 TYR A N 13 ATOM 8133 C CA . TYR A 1 25 ? -0.501 3.022 -18.130 1.00 0.00 ? 25 TYR A CA 13 ATOM 8134 C C . TYR A 1 25 ? -0.290 1.523 -17.944 1.00 0.00 ? 25 TYR A C 13 ATOM 8135 O O . TYR A 1 25 ? -0.849 0.710 -18.680 1.00 0.00 ? 25 TYR A O 13 ATOM 8136 C CB . TYR A 1 25 ? 0.140 3.480 -19.442 1.00 0.00 ? 25 TYR A CB 13 ATOM 8137 C CG . TYR A 1 25 ? -0.433 4.772 -19.977 1.00 0.00 ? 25 TYR A CG 13 ATOM 8138 C CD1 . TYR A 1 25 ? -0.434 5.927 -19.204 1.00 0.00 ? 25 TYR A CD1 13 ATOM 8139 C CD2 . TYR A 1 25 ? -0.974 4.839 -21.255 1.00 0.00 ? 25 TYR A CD2 13 ATOM 8140 C CE1 . TYR A 1 25 ? -0.957 7.110 -19.689 1.00 0.00 ? 25 TYR A CE1 13 ATOM 8141 C CE2 . TYR A 1 25 ? -1.498 6.019 -21.748 1.00 0.00 ? 25 TYR A CE2 13 ATOM 8142 C CZ . TYR A 1 25 ? -1.487 7.151 -20.961 1.00 0.00 ? 25 TYR A CZ 13 ATOM 8143 O OH . TYR A 1 25 ? -2.009 8.328 -21.448 1.00 0.00 ? 25 TYR A OH 13 ATOM 8144 H H . TYR A 1 25 ? 0.829 4.352 -17.159 1.00 0.00 ? 25 TYR A H 13 ATOM 8145 H HA . TYR A 1 25 ? -1.561 3.223 -18.170 1.00 0.00 ? 25 TYR A HA 13 ATOM 8146 H HB2 . TYR A 1 25 ? 1.197 3.626 -19.287 1.00 0.00 ? 25 TYR A HB2 13 ATOM 8147 H HB3 . TYR A 1 25 ? -0.007 2.716 -20.192 1.00 0.00 ? 25 TYR A HB3 13 ATOM 8148 H HD1 . TYR A 1 25 ? -0.019 5.892 -18.207 1.00 0.00 ? 25 TYR A HD1 13 ATOM 8149 H HD2 . TYR A 1 25 ? -0.981 3.950 -21.869 1.00 0.00 ? 25 TYR A HD2 13 ATOM 8150 H HE1 . TYR A 1 25 ? -0.949 7.998 -19.073 1.00 0.00 ? 25 TYR A HE1 13 ATOM 8151 H HE2 . TYR A 1 25 ? -1.913 6.051 -22.745 1.00 0.00 ? 25 TYR A HE2 13 ATOM 8152 H HH . TYR A 1 25 ? -1.418 9.053 -21.233 1.00 0.00 ? 25 TYR A HH 13 ATOM 8153 N N . SER A 1 26 ? 0.521 1.165 -16.954 1.00 0.00 ? 26 SER A N 13 ATOM 8154 C CA . SER A 1 26 ? 0.809 -0.237 -16.671 1.00 0.00 ? 26 SER A CA 13 ATOM 8155 C C . SER A 1 26 ? -0.250 -0.834 -15.750 1.00 0.00 ? 26 SER A C 13 ATOM 8156 O O . SER A 1 26 ? 0.029 -1.750 -14.975 1.00 0.00 ? 26 SER A O 13 ATOM 8157 C CB . SER A 1 26 ? 2.193 -0.376 -16.033 1.00 0.00 ? 26 SER A CB 13 ATOM 8158 O OG . SER A 1 26 ? 2.737 -1.663 -16.270 1.00 0.00 ? 26 SER A OG 13 ATOM 8159 H H . SER A 1 26 ? 0.937 1.860 -16.402 1.00 0.00 ? 26 SER A H 13 ATOM 8160 H HA . SER A 1 26 ? 0.799 -0.773 -17.608 1.00 0.00 ? 26 SER A HA 13 ATOM 8161 H HB2 . SER A 1 26 ? 2.856 0.365 -16.452 1.00 0.00 ? 26 SER A HB2 13 ATOM 8162 H HB3 . SER A 1 26 ? 2.111 -0.223 -14.966 1.00 0.00 ? 26 SER A HB3 13 ATOM 8163 H HG . SER A 1 26 ? 3.476 -1.813 -15.676 1.00 0.00 ? 26 SER A HG 13 ATOM 8164 N N . HIS A 1 27 ? -1.468 -0.309 -15.840 1.00 0.00 ? 27 HIS A N 13 ATOM 8165 C CA . HIS A 1 27 ? -2.571 -0.790 -15.016 1.00 0.00 ? 27 HIS A CA 13 ATOM 8166 C C . HIS A 1 27 ? -2.209 -0.730 -13.535 1.00 0.00 ? 27 HIS A C 13 ATOM 8167 O O . HIS A 1 27 ? -2.322 -1.724 -12.817 1.00 0.00 ? 27 HIS A O 13 ATOM 8168 C CB . HIS A 1 27 ? -2.940 -2.221 -15.405 1.00 0.00 ? 27 HIS A CB 13 ATOM 8169 C CG . HIS A 1 27 ? -3.882 -2.302 -16.567 1.00 0.00 ? 27 HIS A CG 13 ATOM 8170 N ND1 . HIS A 1 27 ? -3.968 -3.404 -17.391 1.00 0.00 ? 27 HIS A ND1 13 ATOM 8171 C CD2 . HIS A 1 27 ? -4.784 -1.410 -17.039 1.00 0.00 ? 27 HIS A CD2 13 ATOM 8172 C CE1 . HIS A 1 27 ? -4.880 -3.185 -18.321 1.00 0.00 ? 27 HIS A CE1 13 ATOM 8173 N NE2 . HIS A 1 27 ? -5.391 -1.982 -18.130 1.00 0.00 ? 27 HIS A NE2 13 ATOM 8174 H H . HIS A 1 27 ? -1.628 0.419 -16.476 1.00 0.00 ? 27 HIS A H 13 ATOM 8175 H HA . HIS A 1 27 ? -3.421 -0.148 -15.192 1.00 0.00 ? 27 HIS A HA 13 ATOM 8176 H HB2 . HIS A 1 27 ? -2.041 -2.758 -15.670 1.00 0.00 ? 27 HIS A HB2 13 ATOM 8177 H HB3 . HIS A 1 27 ? -3.409 -2.708 -14.562 1.00 0.00 ? 27 HIS A HB3 13 ATOM 8178 H HD1 . HIS A 1 27 ? -3.437 -4.223 -17.308 1.00 0.00 ? 27 HIS A HD1 13 ATOM 8179 H HD2 . HIS A 1 27 ? -4.989 -0.429 -16.634 1.00 0.00 ? 27 HIS A HD2 13 ATOM 8180 H HE1 . HIS A 1 27 ? -5.162 -3.873 -19.105 1.00 0.00 ? 27 HIS A HE1 13 ATOM 8181 N N . CYS A 1 28 ? -1.773 0.441 -13.084 1.00 0.00 ? 28 CYS A N 13 ATOM 8182 C CA . CYS A 1 28 ? -1.392 0.631 -11.689 1.00 0.00 ? 28 CYS A CA 13 ATOM 8183 C C . CYS A 1 28 ? -2.297 1.657 -11.014 1.00 0.00 ? 28 CYS A C 13 ATOM 8184 O O . CYS A 1 28 ? -2.372 1.722 -9.786 1.00 0.00 ? 28 CYS A O 13 ATOM 8185 C CB . CYS A 1 28 ? 0.067 1.080 -11.594 1.00 0.00 ? 28 CYS A CB 13 ATOM 8186 S SG . CYS A 1 28 ? 0.956 0.415 -10.149 1.00 0.00 ? 28 CYS A SG 13 ATOM 8187 H H . CYS A 1 28 ? -1.704 1.197 -13.705 1.00 0.00 ? 28 CYS A H 13 ATOM 8188 H HA . CYS A 1 28 ? -1.502 -0.316 -11.184 1.00 0.00 ? 28 CYS A HA 13 ATOM 8189 H HB2 . CYS A 1 28 ? 0.594 0.757 -12.480 1.00 0.00 ? 28 CYS A HB2 13 ATOM 8190 H HB3 . CYS A 1 28 ? 0.101 2.157 -11.534 1.00 0.00 ? 28 CYS A HB3 13 ATOM 8191 N N . PHE A 1 29 ? -2.983 2.457 -11.823 1.00 0.00 ? 29 PHE A N 13 ATOM 8192 C CA . PHE A 1 29 ? -3.883 3.481 -11.305 1.00 0.00 ? 29 PHE A CA 13 ATOM 8193 C C . PHE A 1 29 ? -5.321 3.211 -11.738 1.00 0.00 ? 29 PHE A C 13 ATOM 8194 O O . PHE A 1 29 ? -6.269 3.641 -11.082 1.00 0.00 ? 29 PHE A O 13 ATOM 8195 C CB . PHE A 1 29 ? -3.445 4.865 -11.785 1.00 0.00 ? 29 PHE A CB 13 ATOM 8196 C CG . PHE A 1 29 ? -2.285 5.428 -11.015 1.00 0.00 ? 29 PHE A CG 13 ATOM 8197 C CD1 . PHE A 1 29 ? -1.100 4.718 -10.903 1.00 0.00 ? 29 PHE A CD1 13 ATOM 8198 C CD2 . PHE A 1 29 ? -2.379 6.667 -10.401 1.00 0.00 ? 29 PHE A CD2 13 ATOM 8199 C CE1 . PHE A 1 29 ? -0.031 5.233 -10.195 1.00 0.00 ? 29 PHE A CE1 13 ATOM 8200 C CE2 . PHE A 1 29 ? -1.313 7.187 -9.692 1.00 0.00 ? 29 PHE A CE2 13 ATOM 8201 C CZ . PHE A 1 29 ? -0.138 6.469 -9.588 1.00 0.00 ? 29 PHE A CZ 13 ATOM 8202 H H . PHE A 1 29 ? -2.882 2.356 -12.793 1.00 0.00 ? 29 PHE A H 13 ATOM 8203 H HA . PHE A 1 29 ? -3.832 3.450 -10.227 1.00 0.00 ? 29 PHE A HA 13 ATOM 8204 H HB2 . PHE A 1 29 ? -3.154 4.803 -12.823 1.00 0.00 ? 29 PHE A HB2 13 ATOM 8205 H HB3 . PHE A 1 29 ? -4.273 5.551 -11.688 1.00 0.00 ? 29 PHE A HB3 13 ATOM 8206 H HD1 . PHE A 1 29 ? -1.015 3.751 -11.378 1.00 0.00 ? 29 PHE A HD1 13 ATOM 8207 H HD2 . PHE A 1 29 ? -3.298 7.229 -10.480 1.00 0.00 ? 29 PHE A HD2 13 ATOM 8208 H HE1 . PHE A 1 29 ? 0.887 4.669 -10.116 1.00 0.00 ? 29 PHE A HE1 13 ATOM 8209 H HE2 . PHE A 1 29 ? -1.399 8.153 -9.217 1.00 0.00 ? 29 PHE A HE2 13 ATOM 8210 H HZ . PHE A 1 29 ? 0.697 6.873 -9.035 1.00 0.00 ? 29 PHE A HZ 13 ATOM 8211 N N . GLY A 1 30 ? -5.474 2.496 -12.848 1.00 0.00 ? 30 GLY A N 13 ATOM 8212 C CA . GLY A 1 30 ? -6.799 2.182 -13.351 1.00 0.00 ? 30 GLY A CA 13 ATOM 8213 C C . GLY A 1 30 ? -7.371 3.291 -14.212 1.00 0.00 ? 30 GLY A C 13 ATOM 8214 O O . GLY A 1 30 ? -8.585 3.488 -14.257 1.00 0.00 ? 30 GLY A O 13 ATOM 8215 H H . GLY A 1 30 ? -4.682 2.180 -13.330 1.00 0.00 ? 30 GLY A H 13 ATOM 8216 H HA2 . GLY A 1 30 ? -6.744 1.277 -13.938 1.00 0.00 ? 30 GLY A HA2 13 ATOM 8217 H HA3 . GLY A 1 30 ? -7.460 2.016 -12.513 1.00 0.00 ? 30 GLY A HA3 13 ATOM 8218 N N . VAL A 1 31 ? -6.494 4.019 -14.896 1.00 0.00 ? 31 VAL A N 13 ATOM 8219 C CA . VAL A 1 31 ? -6.918 5.115 -15.759 1.00 0.00 ? 31 VAL A CA 13 ATOM 8220 C C . VAL A 1 31 ? -6.897 4.699 -17.226 1.00 0.00 ? 31 VAL A C 13 ATOM 8221 O O . VAL A 1 31 ? -7.715 5.157 -18.024 1.00 0.00 ? 31 VAL A O 13 ATOM 8222 C CB . VAL A 1 31 ? -6.021 6.353 -15.575 1.00 0.00 ? 31 VAL A CB 13 ATOM 8223 C CG1 . VAL A 1 31 ? -6.178 6.923 -14.174 1.00 0.00 ? 31 VAL A CG1 13 ATOM 8224 C CG2 . VAL A 1 31 ? -4.567 6.004 -15.858 1.00 0.00 ? 31 VAL A CG2 13 ATOM 8225 H H . VAL A 1 31 ? -5.539 3.813 -14.819 1.00 0.00 ? 31 VAL A H 13 ATOM 8226 H HA . VAL A 1 31 ? -7.928 5.384 -15.485 1.00 0.00 ? 31 VAL A HA 13 ATOM 8227 H HB . VAL A 1 31 ? -6.333 7.107 -16.283 1.00 0.00 ? 31 VAL A HB 13 ATOM 8228 H HG11 . VAL A 1 31 ? -5.636 7.855 -14.102 1.00 0.00 ? 31 VAL A HG11 13 ATOM 8229 H HG12 . VAL A 1 31 ? -7.225 7.097 -13.971 1.00 0.00 ? 31 VAL A HG12 13 ATOM 8230 H HG13 . VAL A 1 31 ? -5.783 6.222 -13.454 1.00 0.00 ? 31 VAL A HG13 13 ATOM 8231 H HG21 . VAL A 1 31 ? -4.473 5.646 -16.872 1.00 0.00 ? 31 VAL A HG21 13 ATOM 8232 H HG22 . VAL A 1 31 ? -3.955 6.885 -15.729 1.00 0.00 ? 31 VAL A HG22 13 ATOM 8233 H HG23 . VAL A 1 31 ? -4.241 5.236 -15.172 1.00 0.00 ? 31 VAL A HG23 13 ATOM 8234 N N . LYS A 1 32 ? -5.957 3.827 -17.574 1.00 0.00 ? 32 LYS A N 13 ATOM 8235 C CA . LYS A 1 32 ? -5.829 3.346 -18.945 1.00 0.00 ? 32 LYS A CA 13 ATOM 8236 C C . LYS A 1 32 ? -7.166 2.831 -19.468 1.00 0.00 ? 32 LYS A C 13 ATOM 8237 O O . LYS A 1 32 ? -7.967 2.277 -18.714 1.00 0.00 ? 32 LYS A O 13 ATOM 8238 C CB . LYS A 1 32 ? -4.777 2.237 -19.022 1.00 0.00 ? 32 LYS A CB 13 ATOM 8239 C CG . LYS A 1 32 ? -4.782 1.486 -20.342 1.00 0.00 ? 32 LYS A CG 13 ATOM 8240 C CD . LYS A 1 32 ? -3.410 0.915 -20.663 1.00 0.00 ? 32 LYS A CD 13 ATOM 8241 C CE . LYS A 1 32 ? -2.540 1.930 -21.388 1.00 0.00 ? 32 LYS A CE 13 ATOM 8242 N NZ . LYS A 1 32 ? -1.654 1.283 -22.395 1.00 0.00 ? 32 LYS A NZ 13 ATOM 8243 H H . LYS A 1 32 ? -5.334 3.498 -16.892 1.00 0.00 ? 32 LYS A H 13 ATOM 8244 H HA . LYS A 1 32 ? -5.511 4.175 -19.559 1.00 0.00 ? 32 LYS A HA 13 ATOM 8245 H HB2 . LYS A 1 32 ? -3.800 2.674 -18.884 1.00 0.00 ? 32 LYS A HB2 13 ATOM 8246 H HB3 . LYS A 1 32 ? -4.961 1.528 -18.228 1.00 0.00 ? 32 LYS A HB3 13 ATOM 8247 H HG2 . LYS A 1 32 ? -5.492 0.674 -20.282 1.00 0.00 ? 32 LYS A HG2 13 ATOM 8248 H HG3 . LYS A 1 32 ? -5.073 2.164 -21.131 1.00 0.00 ? 32 LYS A HG3 13 ATOM 8249 H HD2 . LYS A 1 32 ? -2.923 0.632 -19.742 1.00 0.00 ? 32 LYS A HD2 13 ATOM 8250 H HD3 . LYS A 1 32 ? -3.531 0.044 -21.291 1.00 0.00 ? 32 LYS A HD3 13 ATOM 8251 H HE2 . LYS A 1 32 ? -3.180 2.642 -21.888 1.00 0.00 ? 32 LYS A HE2 13 ATOM 8252 H HE3 . LYS A 1 32 ? -1.929 2.445 -20.661 1.00 0.00 ? 32 LYS A HE3 13 ATOM 8253 H HZ1 . LYS A 1 32 ? -1.484 1.931 -23.190 1.00 0.00 ? 32 LYS A HZ1 13 ATOM 8254 H HZ2 . LYS A 1 32 ? -2.100 0.416 -22.758 1.00 0.00 ? 32 LYS A HZ2 13 ATOM 8255 H HZ3 . LYS A 1 32 ? -0.742 1.035 -21.962 1.00 0.00 ? 32 LYS A HZ3 13 ATOM 8256 N N . HIS A 1 33 ? -7.401 3.015 -20.763 1.00 0.00 ? 33 HIS A N 13 ATOM 8257 C CA . HIS A 1 33 ? -8.640 2.567 -21.387 1.00 0.00 ? 33 HIS A CA 13 ATOM 8258 C C . HIS A 1 33 ? -8.358 1.539 -22.479 1.00 0.00 ? 33 HIS A C 13 ATOM 8259 O O . HIS A 1 33 ? -9.061 0.536 -22.598 1.00 0.00 ? 33 HIS A O 13 ATOM 8260 C CB . HIS A 1 33 ? -9.400 3.756 -21.974 1.00 0.00 ? 33 HIS A CB 13 ATOM 8261 C CG . HIS A 1 33 ? -10.212 4.506 -20.962 1.00 0.00 ? 33 HIS A CG 13 ATOM 8262 N ND1 . HIS A 1 33 ? -11.177 3.910 -20.179 1.00 0.00 ? 33 HIS A ND1 13 ATOM 8263 C CD2 . HIS A 1 33 ? -10.195 5.812 -20.606 1.00 0.00 ? 33 HIS A CD2 13 ATOM 8264 C CE1 . HIS A 1 33 ? -11.721 4.816 -19.387 1.00 0.00 ? 33 HIS A CE1 13 ATOM 8265 N NE2 . HIS A 1 33 ? -11.142 5.979 -19.626 1.00 0.00 ? 33 HIS A NE2 13 ATOM 8266 H H . HIS A 1 33 ? -6.724 3.463 -21.312 1.00 0.00 ? 33 HIS A H 13 ATOM 8267 H HA . HIS A 1 33 ? -9.247 2.104 -20.624 1.00 0.00 ? 33 HIS A HA 13 ATOM 8268 H HB2 . HIS A 1 33 ? -8.694 4.447 -22.409 1.00 0.00 ? 33 HIS A HB2 13 ATOM 8269 H HB3 . HIS A 1 33 ? -10.072 3.403 -22.743 1.00 0.00 ? 33 HIS A HB3 13 ATOM 8270 H HD1 . HIS A 1 33 ? -11.428 2.963 -20.203 1.00 0.00 ? 33 HIS A HD1 13 ATOM 8271 H HD2 . HIS A 1 33 ? -9.556 6.581 -21.017 1.00 0.00 ? 33 HIS A HD2 13 ATOM 8272 H HE1 . HIS A 1 33 ? -12.505 4.638 -18.666 1.00 0.00 ? 33 HIS A HE1 13 ATOM 8273 N N . SER A 1 34 ? -7.326 1.798 -23.276 1.00 0.00 ? 34 SER A N 13 ATOM 8274 C CA . SER A 1 34 ? -6.954 0.898 -24.361 1.00 0.00 ? 34 SER A CA 13 ATOM 8275 C C . SER A 1 34 ? -5.952 -0.147 -23.881 1.00 0.00 ? 34 SER A C 13 ATOM 8276 O O . SER A 1 34 ? -5.259 0.053 -22.884 1.00 0.00 ? 34 SER A O 13 ATOM 8277 C CB . SER A 1 34 ? -6.362 1.691 -25.528 1.00 0.00 ? 34 SER A CB 13 ATOM 8278 O OG . SER A 1 34 ? -6.978 2.961 -25.647 1.00 0.00 ? 34 SER A OG 13 ATOM 8279 H H . SER A 1 34 ? -6.804 2.615 -23.131 1.00 0.00 ? 34 SER A H 13 ATOM 8280 H HA . SER A 1 34 ? -7.849 0.395 -24.696 1.00 0.00 ? 34 SER A HA 13 ATOM 8281 H HB2 . SER A 1 34 ? -5.304 1.831 -25.365 1.00 0.00 ? 34 SER A HB2 13 ATOM 8282 H HB3 . SER A 1 34 ? -6.515 1.142 -26.447 1.00 0.00 ? 34 SER A HB3 13 ATOM 8283 H HG . SER A 1 34 ? -7.433 3.019 -26.490 1.00 0.00 ? 34 SER A HG 13 ATOM 8284 N N . SER A 1 35 ? -5.882 -1.264 -24.599 1.00 0.00 ? 35 SER A N 13 ATOM 8285 C CA . SER A 1 35 ? -4.968 -2.344 -24.245 1.00 0.00 ? 35 SER A CA 13 ATOM 8286 C C . SER A 1 35 ? -3.569 -2.072 -24.790 1.00 0.00 ? 35 SER A C 13 ATOM 8287 O O . SER A 1 35 ? -2.571 -2.503 -24.213 1.00 0.00 ? 35 SER A O 13 ATOM 8288 C CB . SER A 1 35 ? -5.487 -3.677 -24.786 1.00 0.00 ? 35 SER A CB 13 ATOM 8289 O OG . SER A 1 35 ? -4.765 -4.766 -24.237 1.00 0.00 ? 35 SER A OG 13 ATOM 8290 H H . SER A 1 35 ? -6.461 -1.365 -25.384 1.00 0.00 ? 35 SER A H 13 ATOM 8291 H HA . SER A 1 35 ? -4.918 -2.396 -23.168 1.00 0.00 ? 35 SER A HA 13 ATOM 8292 H HB2 . SER A 1 35 ? -6.530 -3.786 -24.528 1.00 0.00 ? 35 SER A HB2 13 ATOM 8293 H HB3 . SER A 1 35 ? -5.379 -3.694 -25.861 1.00 0.00 ? 35 SER A HB3 13 ATOM 8294 H HG . SER A 1 35 ? -3.870 -4.486 -24.031 1.00 0.00 ? 35 SER A HG 13 ATOM 8295 N N . GLY A 1 36 ? -3.504 -1.352 -25.906 1.00 0.00 ? 36 GLY A N 13 ATOM 8296 C CA . GLY A 1 36 ? -2.224 -1.034 -26.510 1.00 0.00 ? 36 GLY A CA 13 ATOM 8297 C C . GLY A 1 36 ? -1.608 -2.222 -27.222 1.00 0.00 ? 36 GLY A C 13 ATOM 8298 O O . GLY A 1 36 ? -2.233 -2.824 -28.094 1.00 0.00 ? 36 GLY A O 13 ATOM 8299 H H . GLY A 1 36 ? -4.333 -1.034 -26.322 1.00 0.00 ? 36 GLY A H 13 ATOM 8300 H HA2 . GLY A 1 36 ? -2.363 -0.233 -27.222 1.00 0.00 ? 36 GLY A HA2 13 ATOM 8301 H HA3 . GLY A 1 36 ? -1.547 -0.701 -25.738 1.00 0.00 ? 36 GLY A HA3 13 ATOM 8302 N N . GLY A 1 37 ? -0.377 -2.560 -26.850 1.00 0.00 ? 37 GLY A N 13 ATOM 8303 C CA . GLY A 1 37 ? 0.304 -3.681 -27.471 1.00 0.00 ? 37 GLY A CA 13 ATOM 8304 C C . GLY A 1 37 ? 0.114 -4.973 -26.700 1.00 0.00 ? 37 GLY A C 13 ATOM 8305 O O . GLY A 1 37 ? -0.859 -5.694 -26.914 1.00 0.00 ? 37 GLY A O 13 ATOM 8306 H H . GLY A 1 37 ? 0.072 -2.043 -26.149 1.00 0.00 ? 37 GLY A H 13 ATOM 8307 H HA2 . GLY A 1 37 ? -0.079 -3.811 -28.472 1.00 0.00 ? 37 GLY A HA2 13 ATOM 8308 H HA3 . GLY A 1 37 ? 1.360 -3.460 -27.526 1.00 0.00 ? 37 GLY A HA3 13 ATOM 8309 N N . GLY A 1 38 ? 1.049 -5.267 -25.801 1.00 0.00 ? 38 GLY A N 13 ATOM 8310 C CA . GLY A 1 38 ? 0.963 -6.481 -25.012 1.00 0.00 ? 38 GLY A CA 13 ATOM 8311 C C . GLY A 1 38 ? 1.827 -6.427 -23.768 1.00 0.00 ? 38 GLY A C 13 ATOM 8312 O O . GLY A 1 38 ? 2.958 -5.944 -23.810 1.00 0.00 ? 38 GLY A O 13 ATOM 8313 H H . GLY A 1 38 ? 1.803 -4.654 -25.674 1.00 0.00 ? 38 GLY A H 13 ATOM 8314 H HA2 . GLY A 1 38 ? -0.065 -6.634 -24.717 1.00 0.00 ? 38 GLY A HA2 13 ATOM 8315 H HA3 . GLY A 1 38 ? 1.280 -7.316 -25.620 1.00 0.00 ? 38 GLY A HA3 13 ATOM 8316 N N . GLY A 1 39 ? 1.294 -6.924 -22.656 1.00 0.00 ? 39 GLY A N 13 ATOM 8317 C CA . GLY A 1 39 ? 2.038 -6.918 -21.410 1.00 0.00 ? 39 GLY A CA 13 ATOM 8318 C C . GLY A 1 39 ? 1.219 -7.435 -20.244 1.00 0.00 ? 39 GLY A C 13 ATOM 8319 O O . GLY A 1 39 ? 1.327 -6.927 -19.128 1.00 0.00 ? 39 GLY A O 13 ATOM 8320 H H . GLY A 1 39 ? 0.388 -7.296 -22.682 1.00 0.00 ? 39 GLY A H 13 ATOM 8321 H HA2 . GLY A 1 39 ? 2.914 -7.538 -21.524 1.00 0.00 ? 39 GLY A HA2 13 ATOM 8322 H HA3 . GLY A 1 39 ? 2.350 -5.907 -21.195 1.00 0.00 ? 39 GLY A HA3 13 ATOM 8323 N N . SER A 1 40 ? 0.397 -8.447 -20.502 1.00 0.00 ? 40 SER A N 13 ATOM 8324 C CA . SER A 1 40 ? -0.447 -9.030 -19.466 1.00 0.00 ? 40 SER A CA 13 ATOM 8325 C C . SER A 1 40 ? 0.363 -9.948 -18.556 1.00 0.00 ? 40 SER A C 13 ATOM 8326 O O . SER A 1 40 ? 1.345 -10.555 -18.985 1.00 0.00 ? 40 SER A O 13 ATOM 8327 C CB . SER A 1 40 ? -1.602 -9.809 -20.098 1.00 0.00 ? 40 SER A CB 13 ATOM 8328 O OG . SER A 1 40 ? -2.440 -8.954 -20.857 1.00 0.00 ? 40 SER A OG 13 ATOM 8329 H H . SER A 1 40 ? 0.357 -8.809 -21.412 1.00 0.00 ? 40 SER A H 13 ATOM 8330 H HA . SER A 1 40 ? -0.851 -8.221 -18.874 1.00 0.00 ? 40 SER A HA 13 ATOM 8331 H HB2 . SER A 1 40 ? -1.204 -10.573 -20.748 1.00 0.00 ? 40 SER A HB2 13 ATOM 8332 H HB3 . SER A 1 40 ? -2.190 -10.271 -19.318 1.00 0.00 ? 40 SER A HB3 13 ATOM 8333 H HG . SER A 1 40 ? -3.170 -9.461 -21.220 1.00 0.00 ? 40 SER A HG 13 ATOM 8334 N N . TYR A 1 41 ? -0.054 -10.043 -17.299 1.00 0.00 ? 41 TYR A N 13 ATOM 8335 C CA . TYR A 1 41 ? 0.634 -10.885 -16.327 1.00 0.00 ? 41 TYR A CA 13 ATOM 8336 C C . TYR A 1 41 ? -0.366 -11.662 -15.475 1.00 0.00 ? 41 TYR A C 13 ATOM 8337 O O . TYR A 1 41 ? -1.539 -11.298 -15.387 1.00 0.00 ? 41 TYR A O 13 ATOM 8338 C CB . TYR A 1 41 ? 1.533 -10.034 -15.429 1.00 0.00 ? 41 TYR A CB 13 ATOM 8339 C CG . TYR A 1 41 ? 2.751 -10.770 -14.920 1.00 0.00 ? 41 TYR A CG 13 ATOM 8340 C CD1 . TYR A 1 41 ? 2.711 -11.476 -13.724 1.00 0.00 ? 41 TYR A CD1 13 ATOM 8341 C CD2 . TYR A 1 41 ? 3.943 -10.758 -15.634 1.00 0.00 ? 41 TYR A CD2 13 ATOM 8342 C CE1 . TYR A 1 41 ? 3.821 -12.149 -13.254 1.00 0.00 ? 41 TYR A CE1 13 ATOM 8343 C CE2 . TYR A 1 41 ? 5.059 -11.430 -15.172 1.00 0.00 ? 41 TYR A CE2 13 ATOM 8344 C CZ . TYR A 1 41 ? 4.993 -12.124 -13.982 1.00 0.00 ? 41 TYR A CZ 13 ATOM 8345 O OH . TYR A 1 41 ? 6.102 -12.793 -13.518 1.00 0.00 ? 41 TYR A OH 13 ATOM 8346 H H . TYR A 1 41 ? -0.843 -9.535 -17.017 1.00 0.00 ? 41 TYR A H 13 ATOM 8347 H HA . TYR A 1 41 ? 1.247 -11.588 -16.872 1.00 0.00 ? 41 TYR A HA 13 ATOM 8348 H HB2 . TYR A 1 41 ? 1.874 -9.174 -15.985 1.00 0.00 ? 41 TYR A HB2 13 ATOM 8349 H HB3 . TYR A 1 41 ? 0.964 -9.701 -14.574 1.00 0.00 ? 41 TYR A HB3 13 ATOM 8350 H HD1 . TYR A 1 41 ? 1.792 -11.494 -13.156 1.00 0.00 ? 41 TYR A HD1 13 ATOM 8351 H HD2 . TYR A 1 41 ? 3.991 -10.213 -16.565 1.00 0.00 ? 41 TYR A HD2 13 ATOM 8352 H HE1 . TYR A 1 41 ? 3.771 -12.693 -12.322 1.00 0.00 ? 41 TYR A HE1 13 ATOM 8353 H HE2 . TYR A 1 41 ? 5.976 -11.410 -15.742 1.00 0.00 ? 41 TYR A HE2 13 ATOM 8354 H HH . TYR A 1 41 ? 6.789 -12.776 -14.188 1.00 0.00 ? 41 TYR A HH 13 ATOM 8355 N N . HIS A 1 42 ? 0.109 -12.734 -14.848 1.00 0.00 ? 42 HIS A N 13 ATOM 8356 C CA . HIS A 1 42 ? -0.742 -13.562 -14.001 1.00 0.00 ? 42 HIS A CA 13 ATOM 8357 C C . HIS A 1 42 ? -0.632 -13.138 -12.540 1.00 0.00 ? 42 HIS A C 13 ATOM 8358 O O . HIS A 1 42 ? -0.619 -13.977 -11.638 1.00 0.00 ? 42 HIS A O 13 ATOM 8359 C CB . HIS A 1 42 ? -0.361 -15.036 -14.146 1.00 0.00 ? 42 HIS A CB 13 ATOM 8360 C CG . HIS A 1 42 ? -0.915 -15.678 -15.381 1.00 0.00 ? 42 HIS A CG 13 ATOM 8361 N ND1 . HIS A 1 42 ? -1.107 -14.995 -16.563 1.00 0.00 ? 42 HIS A ND1 13 ATOM 8362 C CD2 . HIS A 1 42 ? -1.317 -16.950 -15.613 1.00 0.00 ? 42 HIS A CD2 13 ATOM 8363 C CE1 . HIS A 1 42 ? -1.605 -15.819 -17.469 1.00 0.00 ? 42 HIS A CE1 13 ATOM 8364 N NE2 . HIS A 1 42 ? -1.741 -17.011 -16.918 1.00 0.00 ? 42 HIS A NE2 13 ATOM 8365 H H . HIS A 1 42 ? 1.052 -12.972 -14.957 1.00 0.00 ? 42 HIS A H 13 ATOM 8366 H HA . HIS A 1 42 ? -1.763 -13.430 -14.325 1.00 0.00 ? 42 HIS A HA 13 ATOM 8367 H HB2 . HIS A 1 42 ? 0.715 -15.121 -14.183 1.00 0.00 ? 42 HIS A HB2 13 ATOM 8368 H HB3 . HIS A 1 42 ? -0.733 -15.583 -13.292 1.00 0.00 ? 42 HIS A HB3 13 ATOM 8369 H HD1 . HIS A 1 42 ? -0.910 -14.048 -16.715 1.00 0.00 ? 42 HIS A HD1 13 ATOM 8370 H HD2 . HIS A 1 42 ? -1.306 -17.766 -14.904 1.00 0.00 ? 42 HIS A HD2 13 ATOM 8371 H HE1 . HIS A 1 42 ? -1.857 -15.561 -18.487 1.00 0.00 ? 42 HIS A HE1 13 ATOM 8372 N N . CYS A 1 43 ? -0.552 -11.831 -12.312 1.00 0.00 ? 43 CYS A N 13 ATOM 8373 C CA . CYS A 1 43 ? -0.441 -11.295 -10.961 1.00 0.00 ? 43 CYS A CA 13 ATOM 8374 C C . CYS A 1 43 ? -1.677 -10.477 -10.598 1.00 0.00 ? 43 CYS A C 13 ATOM 8375 O O . CYS A 1 43 ? -1.855 -10.142 -9.428 1.00 0.00 ? 43 CYS A O 13 ATOM 8376 C CB . CYS A 1 43 ? 0.813 -10.428 -10.835 1.00 0.00 ? 43 CYS A CB 13 ATOM 8377 S SG . CYS A 1 43 ? 2.301 -11.343 -10.320 1.00 0.00 ? 43 CYS A SG 13 ATOM 8378 H H . CYS A 1 43 ? -0.567 -11.212 -13.073 1.00 0.00 ? 43 CYS A H 13 ATOM 8379 H HA . CYS A 1 43 ? -0.362 -12.128 -10.279 1.00 0.00 ? 43 CYS A HA 13 ATOM 8380 H HB2 . CYS A 1 43 ? 1.023 -9.972 -11.792 1.00 0.00 ? 43 CYS A HB2 13 ATOM 8381 H HB3 . CYS A 1 43 ? 0.634 -9.653 -10.105 1.00 0.00 ? 43 CYS A HB3 13 HETATM 8382 C C1 . NAG B 2 . ? 6.224 19.097 -20.458 1.00 0.00 ? 101 NAG A C1 13 HETATM 8383 C C2 . NAG B 2 . ? 6.503 20.186 -19.421 1.00 0.00 ? 101 NAG A C2 13 HETATM 8384 C C3 . NAG B 2 . ? 7.037 21.433 -20.133 1.00 0.00 ? 101 NAG A C3 13 HETATM 8385 C C4 . NAG B 2 . ? 8.238 21.028 -20.996 1.00 0.00 ? 101 NAG A C4 13 HETATM 8386 C C5 . NAG B 2 . ? 7.827 19.875 -21.914 1.00 0.00 ? 101 NAG A C5 13 HETATM 8387 C C6 . NAG B 2 . ? 9.012 19.486 -22.801 1.00 0.00 ? 101 NAG A C6 13 HETATM 8388 C C7 . NAG B 2 . ? 4.930 19.857 -17.589 1.00 0.00 ? 101 NAG A C7 13 HETATM 8389 C C8 . NAG B 2 . ? 3.656 20.200 -16.862 1.00 0.00 ? 101 NAG A C8 13 HETATM 8390 N N2 . NAG B 2 . ? 5.265 20.520 -18.714 1.00 0.00 ? 101 NAG A N2 13 HETATM 8391 O O3 . NAG B 2 . ? 7.446 22.407 -19.172 1.00 0.00 ? 101 NAG A O3 13 HETATM 8392 O O4 . NAG B 2 . ? 8.660 22.140 -21.786 1.00 0.00 ? 101 NAG A O4 13 HETATM 8393 O O5 . NAG B 2 . ? 7.432 18.751 -21.131 1.00 0.00 ? 101 NAG A O5 13 HETATM 8394 O O6 . NAG B 2 . ? 8.629 18.413 -23.664 1.00 0.00 ? 101 NAG A O6 13 HETATM 8395 O O7 . NAG B 2 . ? 5.655 18.984 -17.162 1.00 0.00 ? 101 NAG A O7 13 HETATM 8396 H H1 . NAG B 2 . ? 5.494 19.473 -21.191 1.00 0.00 ? 101 NAG A H1 13 HETATM 8397 H H2 . NAG B 2 . ? 7.248 19.825 -18.696 1.00 0.00 ? 101 NAG A H2 13 HETATM 8398 H H3 . NAG B 2 . ? 6.247 21.867 -20.764 1.00 0.00 ? 101 NAG A H3 13 HETATM 8399 H H4 . NAG B 2 . ? 9.068 20.710 -20.348 1.00 0.00 ? 101 NAG A H4 13 HETATM 8400 H H5 . NAG B 2 . ? 6.983 20.193 -22.543 1.00 0.00 ? 101 NAG A H5 13 HETATM 8401 H H61 . NAG B 2 . ? 9.338 20.352 -23.397 1.00 0.00 ? 101 NAG A H61 13 HETATM 8402 H H62 . NAG B 2 . ? 9.867 19.183 -22.178 1.00 0.00 ? 101 NAG A H62 13 HETATM 8403 H H81 . NAG B 2 . ? 3.736 21.213 -16.440 1.00 0.00 ? 101 NAG A H81 13 HETATM 8404 H H82 . NAG B 2 . ? 2.811 20.162 -17.564 1.00 0.00 ? 101 NAG A H82 13 HETATM 8405 H H83 . NAG B 2 . ? 3.490 19.477 -16.050 1.00 0.00 ? 101 NAG A H83 13 HETATM 8406 H HN2 . NAG B 2 . ? 4.667 21.240 -19.066 1.00 0.00 ? 101 NAG A HN2 13 HETATM 8407 H HO3 . NAG B 2 . ? 7.795 23.216 -19.643 1.00 0.00 ? 101 NAG A HO3 13 HETATM 8408 H HO4 . NAG B 2 . ? 9.644 22.078 -21.952 1.00 0.00 ? 101 NAG A HO4 13 HETATM 8409 H HO6 . NAG B 2 . ? 8.005 17.800 -23.178 1.00 0.00 ? 101 NAG A HO6 13 HETATM 8410 C C1 . NAG C 2 . ? 3.152 -10.553 -8.706 1.00 0.00 ? 102 NAG A C1 13 HETATM 8411 C C2 . NAG C 2 . ? 3.838 -9.569 -7.758 1.00 0.00 ? 102 NAG A C2 13 HETATM 8412 C C3 . NAG C 2 . ? 4.496 -10.349 -6.615 1.00 0.00 ? 102 NAG A C3 13 HETATM 8413 C C4 . NAG C 2 . ? 3.441 -11.253 -5.968 1.00 0.00 ? 102 NAG A C4 13 HETATM 8414 C C5 . NAG C 2 . ? 2.785 -12.111 -7.053 1.00 0.00 ? 102 NAG A C5 13 HETATM 8415 C C6 . NAG C 2 . ? 1.753 -13.040 -6.409 1.00 0.00 ? 102 NAG A C6 13 HETATM 8416 C C7 . NAG C 2 . ? 4.540 -7.654 -9.092 1.00 0.00 ? 102 NAG A C7 13 HETATM 8417 C C8 . NAG C 2 . ? 5.591 -6.879 -9.842 1.00 0.00 ? 102 NAG A C8 13 HETATM 8418 N N2 . NAG C 2 . ? 4.860 -8.815 -8.488 1.00 0.00 ? 102 NAG A N2 13 HETATM 8419 O O3 . NAG C 2 . ? 5.012 -9.442 -5.640 1.00 0.00 ? 102 NAG A O3 13 HETATM 8420 O O4 . NAG C 2 . ? 4.062 -12.101 -5.000 1.00 0.00 ? 102 NAG A O4 13 HETATM 8421 O O5 . NAG C 2 . ? 2.139 -11.271 -8.007 1.00 0.00 ? 102 NAG A O5 13 HETATM 8422 O O6 . NAG C 2 . ? 1.143 -13.846 -7.419 1.00 0.00 ? 102 NAG A O6 13 HETATM 8423 O O7 . NAG C 2 . ? 3.404 -7.233 -9.030 1.00 0.00 ? 102 NAG A O7 13 HETATM 8424 H H1 . NAG C 2 . ? 3.898 -11.263 -9.094 1.00 0.00 ? 102 NAG A H1 13 HETATM 8425 H H2 . NAG C 2 . ? 3.094 -8.869 -7.350 1.00 0.00 ? 102 NAG A H2 13 HETATM 8426 H H3 . NAG C 2 . ? 5.325 -10.956 -7.008 1.00 0.00 ? 102 NAG A H3 13 HETATM 8427 H H4 . NAG C 2 . ? 2.680 -10.635 -5.471 1.00 0.00 ? 102 NAG A H4 13 HETATM 8428 H H5 . NAG C 2 . ? 3.556 -12.709 -7.560 1.00 0.00 ? 102 NAG A H5 13 HETATM 8429 H H61 . NAG C 2 . ? 2.238 -13.680 -5.657 1.00 0.00 ? 102 NAG A H61 13 HETATM 8430 H H62 . NAG C 2 . ? 0.988 -12.448 -5.884 1.00 0.00 ? 102 NAG A H62 13 HETATM 8431 H H81 . NAG C 2 . ? 5.217 -6.633 -10.847 1.00 0.00 ? 102 NAG A H81 13 HETATM 8432 H H82 . NAG C 2 . ? 5.819 -5.950 -9.299 1.00 0.00 ? 102 NAG A H82 13 HETATM 8433 H H83 . NAG C 2 . ? 6.504 -7.486 -9.929 1.00 0.00 ? 102 NAG A H83 13 HETATM 8434 H HN2 . NAG C 2 . ? 5.796 -9.163 -8.538 1.00 0.00 ? 102 NAG A HN2 13 HETATM 8435 H HO3 . NAG C 2 . ? 5.438 -9.957 -4.896 1.00 0.00 ? 102 NAG A HO3 13 HETATM 8436 H HO4 . NAG C 2 . ? 3.409 -12.311 -4.272 1.00 0.00 ? 102 NAG A HO4 13 HETATM 8437 H HO6 . NAG C 2 . ? 1.041 -13.310 -8.258 1.00 0.00 ? 102 NAG A HO6 13 ATOM 8438 N N . LYS A 1 1 ? 2.208 -1.877 -3.670 1.00 0.00 ? 1 LYS A N 14 ATOM 8439 C CA . LYS A 1 1 ? 2.636 -1.332 -4.953 1.00 0.00 ? 1 LYS A CA 14 ATOM 8440 C C . LYS A 1 1 ? 4.158 -1.290 -5.045 1.00 0.00 ? 1 LYS A C 14 ATOM 8441 O O . LYS A 1 1 ? 4.865 -1.265 -4.037 1.00 0.00 ? 1 LYS A O 14 ATOM 8442 C CB . LYS A 1 1 ? 2.064 0.074 -5.150 1.00 0.00 ? 1 LYS A CB 14 ATOM 8443 C CG . LYS A 1 1 ? 0.578 0.087 -5.466 1.00 0.00 ? 1 LYS A CG 14 ATOM 8444 C CD . LYS A 1 1 ? -0.087 1.358 -4.966 1.00 0.00 ? 1 LYS A CD 14 ATOM 8445 C CE . LYS A 1 1 ? -0.140 1.400 -3.447 1.00 0.00 ? 1 LYS A CE 14 ATOM 8446 N NZ . LYS A 1 1 ? -1.540 1.452 -2.942 1.00 0.00 ? 1 LYS A NZ 14 ATOM 8447 H H1 . LYS A 1 1 ? 2.124 -1.276 -2.900 1.00 0.00 ? 1 LYS A H1 14 ATOM 8448 H HA . LYS A 1 1 ? 2.258 -1.978 -5.731 1.00 0.00 ? 1 LYS A HA 14 ATOM 8449 H HB2 . LYS A 1 1 ? 2.224 0.644 -4.247 1.00 0.00 ? 1 LYS A HB2 14 ATOM 8450 H HB3 . LYS A 1 1 ? 2.588 0.552 -5.965 1.00 0.00 ? 1 LYS A HB3 14 ATOM 8451 H HG2 . LYS A 1 1 ? 0.446 0.020 -6.535 1.00 0.00 ? 1 LYS A HG2 14 ATOM 8452 H HG3 . LYS A 1 1 ? 0.111 -0.764 -4.990 1.00 0.00 ? 1 LYS A HG3 14 ATOM 8453 H HD2 . LYS A 1 1 ? 0.475 2.211 -5.319 1.00 0.00 ? 1 LYS A HD2 14 ATOM 8454 H HD3 . LYS A 1 1 ? -1.095 1.403 -5.355 1.00 0.00 ? 1 LYS A HD3 14 ATOM 8455 H HE2 . LYS A 1 1 ? 0.341 0.515 -3.058 1.00 0.00 ? 1 LYS A HE2 14 ATOM 8456 H HE3 . LYS A 1 1 ? 0.390 2.277 -3.105 1.00 0.00 ? 1 LYS A HE3 14 ATOM 8457 H HZ1 . LYS A 1 1 ? -1.578 1.979 -2.046 1.00 0.00 ? 1 LYS A HZ1 14 ATOM 8458 H HZ2 . LYS A 1 1 ? -1.897 0.489 -2.780 1.00 0.00 ? 1 LYS A HZ2 14 ATOM 8459 H HZ3 . LYS A 1 1 ? -2.153 1.925 -3.636 1.00 0.00 ? 1 LYS A HZ3 14 ATOM 8460 N N . PRO A 1 2 ? 4.677 -1.281 -6.282 1.00 0.00 ? 2 PRO A N 14 ATOM 8461 C CA . PRO A 1 2 ? 6.120 -1.240 -6.535 1.00 0.00 ? 2 PRO A CA 14 ATOM 8462 C C . PRO A 1 2 ? 6.736 0.104 -6.161 1.00 0.00 ? 2 PRO A C 14 ATOM 8463 O O . PRO A 1 2 ? 6.096 0.932 -5.515 1.00 0.00 ? 2 PRO A O 14 ATOM 8464 C CB . PRO A 1 2 ? 6.223 -1.474 -8.045 1.00 0.00 ? 2 PRO A CB 14 ATOM 8465 C CG . PRO A 1 2 ? 4.917 -1.008 -8.590 1.00 0.00 ? 2 PRO A CG 14 ATOM 8466 C CD . PRO A 1 2 ? 3.894 -1.310 -7.529 1.00 0.00 ? 2 PRO A CD 14 ATOM 8467 H HA . PRO A 1 2 ? 6.638 -2.030 -6.011 1.00 0.00 ? 2 PRO A HA 14 ATOM 8468 H HB2 . PRO A 1 2 ? 7.046 -0.900 -8.445 1.00 0.00 ? 2 PRO A HB2 14 ATOM 8469 H HB3 . PRO A 1 2 ? 6.380 -2.524 -8.240 1.00 0.00 ? 2 PRO A HB3 14 ATOM 8470 H HG2 . PRO A 1 2 ? 4.956 0.054 -8.781 1.00 0.00 ? 2 PRO A HG2 14 ATOM 8471 H HG3 . PRO A 1 2 ? 4.685 -1.546 -9.497 1.00 0.00 ? 2 PRO A HG3 14 ATOM 8472 H HD2 . PRO A 1 2 ? 3.125 -0.551 -7.520 1.00 0.00 ? 2 PRO A HD2 14 ATOM 8473 H HD3 . PRO A 1 2 ? 3.461 -2.286 -7.690 1.00 0.00 ? 2 PRO A HD3 14 ATOM 8474 N N . ALA A 1 3 ? 7.983 0.313 -6.573 1.00 0.00 ? 3 ALA A N 14 ATOM 8475 C CA . ALA A 1 3 ? 8.684 1.558 -6.283 1.00 0.00 ? 3 ALA A CA 14 ATOM 8476 C C . ALA A 1 3 ? 8.444 2.591 -7.378 1.00 0.00 ? 3 ALA A C 14 ATOM 8477 O O . ALA A 1 3 ? 9.106 3.628 -7.422 1.00 0.00 ? 3 ALA A O 14 ATOM 8478 C CB . ALA A 1 3 ? 10.174 1.298 -6.118 1.00 0.00 ? 3 ALA A CB 14 ATOM 8479 H H . ALA A 1 3 ? 8.441 -0.385 -7.084 1.00 0.00 ? 3 ALA A H 14 ATOM 8480 H HA . ALA A 1 3 ? 8.305 1.944 -5.348 1.00 0.00 ? 3 ALA A HA 14 ATOM 8481 H HB1 . ALA A 1 3 ? 10.320 0.446 -5.469 1.00 0.00 ? 3 ALA A HB1 14 ATOM 8482 H HB2 . ALA A 1 3 ? 10.613 1.095 -7.083 1.00 0.00 ? 3 ALA A HB2 14 ATOM 8483 H HB3 . ALA A 1 3 ? 10.644 2.167 -5.683 1.00 0.00 ? 3 ALA A HB3 14 ATOM 8484 N N . TRP A 1 4 ? 7.494 2.301 -8.260 1.00 0.00 ? 4 TRP A N 14 ATOM 8485 C CA . TRP A 1 4 ? 7.167 3.206 -9.357 1.00 0.00 ? 4 TRP A CA 14 ATOM 8486 C C . TRP A 1 4 ? 5.853 3.931 -9.091 1.00 0.00 ? 4 TRP A C 14 ATOM 8487 O O . TRP A 1 4 ? 5.752 5.144 -9.280 1.00 0.00 ? 4 TRP A O 14 ATOM 8488 C CB . TRP A 1 4 ? 7.080 2.434 -10.674 1.00 0.00 ? 4 TRP A CB 14 ATOM 8489 C CG . TRP A 1 4 ? 7.776 1.107 -10.631 1.00 0.00 ? 4 TRP A CG 14 ATOM 8490 C CD1 . TRP A 1 4 ? 9.053 0.864 -10.212 1.00 0.00 ? 4 TRP A CD1 14 ATOM 8491 C CD2 . TRP A 1 4 ? 7.233 -0.158 -11.025 1.00 0.00 ? 4 TRP A CD2 14 ATOM 8492 N NE1 . TRP A 1 4 ? 9.337 -0.476 -10.321 1.00 0.00 ? 4 TRP A NE1 14 ATOM 8493 C CE2 . TRP A 1 4 ? 8.237 -1.125 -10.817 1.00 0.00 ? 4 TRP A CE2 14 ATOM 8494 C CE3 . TRP A 1 4 ? 5.997 -0.569 -11.531 1.00 0.00 ? 4 TRP A CE3 14 ATOM 8495 C CZ2 . TRP A 1 4 ? 8.040 -2.474 -11.098 1.00 0.00 ? 4 TRP A CZ2 14 ATOM 8496 C CZ3 . TRP A 1 4 ? 5.804 -1.908 -11.811 1.00 0.00 ? 4 TRP A CZ3 14 ATOM 8497 C CH2 . TRP A 1 4 ? 6.820 -2.848 -11.593 1.00 0.00 ? 4 TRP A CH2 14 ATOM 8498 H H . TRP A 1 4 ? 7.000 1.459 -8.173 1.00 0.00 ? 4 TRP A H 14 ATOM 8499 H HA . TRP A 1 4 ? 7.960 3.936 -9.430 1.00 0.00 ? 4 TRP A HA 14 ATOM 8500 H HB2 . TRP A 1 4 ? 6.042 2.258 -10.913 1.00 0.00 ? 4 TRP A HB2 14 ATOM 8501 H HB3 . TRP A 1 4 ? 7.533 3.023 -11.459 1.00 0.00 ? 4 TRP A HB3 14 ATOM 8502 H HD1 . TRP A 1 4 ? 9.729 1.624 -9.852 1.00 0.00 ? 4 TRP A HD1 14 ATOM 8503 H HE1 . TRP A 1 4 ? 10.188 -0.899 -10.082 1.00 0.00 ? 4 TRP A HE1 14 ATOM 8504 H HE3 . TRP A 1 4 ? 5.202 0.140 -11.705 1.00 0.00 ? 4 TRP A HE3 14 ATOM 8505 H HZ2 . TRP A 1 4 ? 8.813 -3.211 -10.936 1.00 0.00 ? 4 TRP A HZ2 14 ATOM 8506 H HZ3 . TRP A 1 4 ? 4.855 -2.244 -12.203 1.00 0.00 ? 4 TRP A HZ3 14 ATOM 8507 H HH2 . TRP A 1 4 ? 6.624 -3.883 -11.826 1.00 0.00 ? 4 TRP A HH2 14 ATOM 8508 N N . CYS A 1 5 ? 4.847 3.183 -8.650 1.00 0.00 ? 5 CYS A N 14 ATOM 8509 C CA . CYS A 1 5 ? 3.539 3.754 -8.358 1.00 0.00 ? 5 CYS A CA 14 ATOM 8510 C C . CYS A 1 5 ? 3.491 4.306 -6.936 1.00 0.00 ? 5 CYS A C 14 ATOM 8511 O O . CYS A 1 5 ? 4.518 4.412 -6.266 1.00 0.00 ? 5 CYS A O 14 ATOM 8512 C CB . CYS A 1 5 ? 2.445 2.700 -8.544 1.00 0.00 ? 5 CYS A CB 14 ATOM 8513 S SG . CYS A 1 5 ? 2.630 1.696 -10.053 1.00 0.00 ? 5 CYS A SG 14 ATOM 8514 H H . CYS A 1 5 ? 4.989 2.221 -8.518 1.00 0.00 ? 5 CYS A H 14 ATOM 8515 H HA . CYS A 1 5 ? 3.367 4.563 -9.051 1.00 0.00 ? 5 CYS A HA 14 ATOM 8516 H HB2 . CYS A 1 5 ? 2.458 2.026 -7.699 1.00 0.00 ? 5 CYS A HB2 14 ATOM 8517 H HB3 . CYS A 1 5 ? 1.485 3.192 -8.591 1.00 0.00 ? 5 CYS A HB3 14 ATOM 8518 N N . TRP A 1 6 ? 2.292 4.655 -6.483 1.00 0.00 ? 6 TRP A N 14 ATOM 8519 C CA . TRP A 1 6 ? 2.111 5.197 -5.141 1.00 0.00 ? 6 TRP A CA 14 ATOM 8520 C C . TRP A 1 6 ? 0.679 4.991 -4.660 1.00 0.00 ? 6 TRP A C 14 ATOM 8521 O O . TRP A 1 6 ? 0.449 4.556 -3.531 1.00 0.00 ? 6 TRP A O 14 ATOM 8522 C CB . TRP A 1 6 ? 2.461 6.685 -5.117 1.00 0.00 ? 6 TRP A CB 14 ATOM 8523 C CG . TRP A 1 6 ? 3.315 7.076 -3.950 1.00 0.00 ? 6 TRP A CG 14 ATOM 8524 C CD1 . TRP A 1 6 ? 4.662 7.302 -3.959 1.00 0.00 ? 6 TRP A CD1 14 ATOM 8525 C CD2 . TRP A 1 6 ? 2.881 7.285 -2.601 1.00 0.00 ? 6 TRP A CD2 14 ATOM 8526 N NE1 . TRP A 1 6 ? 5.091 7.639 -2.698 1.00 0.00 ? 6 TRP A NE1 14 ATOM 8527 C CE2 . TRP A 1 6 ? 4.018 7.636 -1.847 1.00 0.00 ? 6 TRP A CE2 14 ATOM 8528 C CE3 . TRP A 1 6 ? 1.643 7.211 -1.958 1.00 0.00 ? 6 TRP A CE3 14 ATOM 8529 C CZ2 . TRP A 1 6 ? 3.950 7.910 -0.484 1.00 0.00 ? 6 TRP A CZ2 14 ATOM 8530 C CZ3 . TRP A 1 6 ? 1.578 7.483 -0.605 1.00 0.00 ? 6 TRP A CZ3 14 ATOM 8531 C CH2 . TRP A 1 6 ? 2.725 7.831 0.120 1.00 0.00 ? 6 TRP A CH2 14 ATOM 8532 H H . TRP A 1 6 ? 1.511 4.547 -7.065 1.00 0.00 ? 6 TRP A H 14 ATOM 8533 H HA . TRP A 1 6 ? 2.780 4.668 -4.478 1.00 0.00 ? 6 TRP A HA 14 ATOM 8534 H HB2 . TRP A 1 6 ? 2.995 6.938 -6.021 1.00 0.00 ? 6 TRP A HB2 14 ATOM 8535 H HB3 . TRP A 1 6 ? 1.548 7.261 -5.070 1.00 0.00 ? 6 TRP A HB3 14 ATOM 8536 H HD1 . TRP A 1 6 ? 5.286 7.223 -4.837 1.00 0.00 ? 6 TRP A HD1 14 ATOM 8537 H HE1 . TRP A 1 6 ? 6.016 7.848 -2.449 1.00 0.00 ? 6 TRP A HE1 14 ATOM 8538 H HE3 . TRP A 1 6 ? 0.747 6.945 -2.500 1.00 0.00 ? 6 TRP A HE3 14 ATOM 8539 H HZ2 . TRP A 1 6 ? 4.826 8.180 0.089 1.00 0.00 ? 6 TRP A HZ2 14 ATOM 8540 H HZ3 . TRP A 1 6 ? 0.629 7.431 -0.091 1.00 0.00 ? 6 TRP A HZ3 14 ATOM 8541 H HH2 . TRP A 1 6 ? 2.628 8.035 1.175 1.00 0.00 ? 6 TRP A HH2 14 ATOM 8542 N N . TYR A 1 7 ? -0.281 5.304 -5.523 1.00 0.00 ? 7 TYR A N 14 ATOM 8543 C CA . TYR A 1 7 ? -1.692 5.155 -5.185 1.00 0.00 ? 7 TYR A CA 14 ATOM 8544 C C . TYR A 1 7 ? -2.571 5.352 -6.416 1.00 0.00 ? 7 TYR A C 14 ATOM 8545 O O . TYR A 1 7 ? -2.082 5.384 -7.546 1.00 0.00 ? 7 TYR A O 14 ATOM 8546 C CB . TYR A 1 7 ? -2.085 6.156 -4.097 1.00 0.00 ? 7 TYR A CB 14 ATOM 8547 C CG . TYR A 1 7 ? -2.977 5.568 -3.027 1.00 0.00 ? 7 TYR A CG 14 ATOM 8548 C CD1 . TYR A 1 7 ? -2.569 4.469 -2.282 1.00 0.00 ? 7 TYR A CD1 14 ATOM 8549 C CD2 . TYR A 1 7 ? -4.227 6.114 -2.760 1.00 0.00 ? 7 TYR A CD2 14 ATOM 8550 C CE1 . TYR A 1 7 ? -3.381 3.928 -1.304 1.00 0.00 ? 7 TYR A CE1 14 ATOM 8551 C CE2 . TYR A 1 7 ? -5.045 5.580 -1.783 1.00 0.00 ? 7 TYR A CE2 14 ATOM 8552 C CZ . TYR A 1 7 ? -4.618 4.487 -1.058 1.00 0.00 ? 7 TYR A CZ 14 ATOM 8553 O OH . TYR A 1 7 ? -5.429 3.952 -0.083 1.00 0.00 ? 7 TYR A OH 14 ATOM 8554 H H . TYR A 1 7 ? -0.036 5.646 -6.408 1.00 0.00 ? 7 TYR A H 14 ATOM 8555 H HA . TYR A 1 7 ? -1.838 4.154 -4.808 1.00 0.00 ? 7 TYR A HA 14 ATOM 8556 H HB2 . TYR A 1 7 ? -1.192 6.526 -3.618 1.00 0.00 ? 7 TYR A HB2 14 ATOM 8557 H HB3 . TYR A 1 7 ? -2.613 6.982 -4.552 1.00 0.00 ? 7 TYR A HB3 14 ATOM 8558 H HD1 . TYR A 1 7 ? -1.600 4.033 -2.478 1.00 0.00 ? 7 TYR A HD1 14 ATOM 8559 H HD2 . TYR A 1 7 ? -4.559 6.970 -3.330 1.00 0.00 ? 7 TYR A HD2 14 ATOM 8560 H HE1 . TYR A 1 7 ? -3.047 3.072 -0.736 1.00 0.00 ? 7 TYR A HE1 14 ATOM 8561 H HE2 . TYR A 1 7 ? -6.014 6.018 -1.590 1.00 0.00 ? 7 TYR A HE2 14 ATOM 8562 H HH . TYR A 1 7 ? -4.982 3.211 0.333 1.00 0.00 ? 7 TYR A HH 14 ATOM 8563 N N . THR A 1 8 ? -3.874 5.486 -6.189 1.00 0.00 ? 8 THR A N 14 ATOM 8564 C CA . THR A 1 8 ? -4.823 5.680 -7.278 1.00 0.00 ? 8 THR A CA 14 ATOM 8565 C C . THR A 1 8 ? -5.270 7.135 -7.366 1.00 0.00 ? 8 THR A C 14 ATOM 8566 O O . THR A 1 8 ? -6.375 7.429 -7.823 1.00 0.00 ? 8 THR A O 14 ATOM 8567 C CB . THR A 1 8 ? -6.064 4.783 -7.107 1.00 0.00 ? 8 THR A CB 14 ATOM 8568 O OG1 . THR A 1 8 ? -5.674 3.492 -6.628 1.00 0.00 ? 8 THR A OG1 14 ATOM 8569 C CG2 . THR A 1 8 ? -6.811 4.636 -8.425 1.00 0.00 ? 8 THR A CG2 14 ATOM 8570 H H . THR A 1 8 ? -4.204 5.452 -5.267 1.00 0.00 ? 8 THR A H 14 ATOM 8571 H HA . THR A 1 8 ? -4.332 5.407 -8.201 1.00 0.00 ? 8 THR A HA 14 ATOM 8572 H HB . THR A 1 8 ? -6.725 5.242 -6.385 1.00 0.00 ? 8 THR A HB 14 ATOM 8573 H HG1 . THR A 1 8 ? -6.308 3.187 -5.975 1.00 0.00 ? 8 THR A HG1 14 ATOM 8574 H HG21 . THR A 1 8 ? -6.857 3.593 -8.697 1.00 0.00 ? 8 THR A HG21 14 ATOM 8575 H HG22 . THR A 1 8 ? -6.293 5.187 -9.196 1.00 0.00 ? 8 THR A HG22 14 ATOM 8576 H HG23 . THR A 1 8 ? -7.812 5.025 -8.316 1.00 0.00 ? 8 THR A HG23 14 ATOM 8577 N N . LEU A 1 9 ? -4.405 8.042 -6.925 1.00 0.00 ? 9 LEU A N 14 ATOM 8578 C CA . LEU A 1 9 ? -4.710 9.468 -6.955 1.00 0.00 ? 9 LEU A CA 14 ATOM 8579 C C . LEU A 1 9 ? -4.719 9.993 -8.387 1.00 0.00 ? 9 LEU A C 14 ATOM 8580 O O . LEU A 1 9 ? -5.423 10.951 -8.703 1.00 0.00 ? 9 LEU A O 14 ATOM 8581 C CB . LEU A 1 9 ? -3.690 10.245 -6.121 1.00 0.00 ? 9 LEU A CB 14 ATOM 8582 C CG . LEU A 1 9 ? -4.083 10.523 -4.670 1.00 0.00 ? 9 LEU A CG 14 ATOM 8583 C CD1 . LEU A 1 9 ? -2.922 10.221 -3.735 1.00 0.00 ? 9 LEU A CD1 14 ATOM 8584 C CD2 . LEU A 1 9 ? -4.538 11.966 -4.508 1.00 0.00 ? 9 LEU A CD2 14 ATOM 8585 H H . LEU A 1 9 ? -3.540 7.746 -6.572 1.00 0.00 ? 9 LEU A H 14 ATOM 8586 H HA . LEU A 1 9 ? -5.692 9.605 -6.528 1.00 0.00 ? 9 LEU A HA 14 ATOM 8587 H HB2 . LEU A 1 9 ? -2.771 9.680 -6.112 1.00 0.00 ? 9 LEU A HB2 14 ATOM 8588 H HB3 . LEU A 1 9 ? -3.522 11.195 -6.608 1.00 0.00 ? 9 LEU A HB3 14 ATOM 8589 H HG . LEU A 1 9 ? -4.907 9.879 -4.396 1.00 0.00 ? 9 LEU A HG 14 ATOM 8590 H HD11 . LEU A 1 9 ? -3.287 10.135 -2.723 1.00 0.00 ? 9 LEU A HD11 14 ATOM 8591 H HD12 . LEU A 1 9 ? -2.198 11.020 -3.790 1.00 0.00 ? 9 LEU A HD12 14 ATOM 8592 H HD13 . LEU A 1 9 ? -2.455 9.292 -4.030 1.00 0.00 ? 9 LEU A HD13 14 ATOM 8593 H HD21 . LEU A 1 9 ? -3.790 12.628 -4.917 1.00 0.00 ? 9 LEU A HD21 14 ATOM 8594 H HD22 . LEU A 1 9 ? -4.676 12.184 -3.459 1.00 0.00 ? 9 LEU A HD22 14 ATOM 8595 H HD23 . LEU A 1 9 ? -5.472 12.110 -5.031 1.00 0.00 ? 9 LEU A HD23 14 ATOM 8596 N N . ALA A 1 10 ? -3.933 9.357 -9.250 1.00 0.00 ? 10 ALA A N 14 ATOM 8597 C CA . ALA A 1 10 ? -3.853 9.758 -10.649 1.00 0.00 ? 10 ALA A CA 14 ATOM 8598 C C . ALA A 1 10 ? -3.276 11.163 -10.786 1.00 0.00 ? 10 ALA A C 14 ATOM 8599 O O . ALA A 1 10 ? -3.951 12.077 -11.258 1.00 0.00 ? 10 ALA A O 14 ATOM 8600 C CB . ALA A 1 10 ? -5.228 9.684 -11.298 1.00 0.00 ? 10 ALA A CB 14 ATOM 8601 H H . ALA A 1 10 ? -3.395 8.600 -8.938 1.00 0.00 ? 10 ALA A H 14 ATOM 8602 H HA . ALA A 1 10 ? -3.204 9.061 -11.160 1.00 0.00 ? 10 ALA A HA 14 ATOM 8603 H HB1 . ALA A 1 10 ? -5.757 10.610 -11.125 1.00 0.00 ? 10 ALA A HB1 14 ATOM 8604 H HB2 . ALA A 1 10 ? -5.116 9.526 -12.360 1.00 0.00 ? 10 ALA A HB2 14 ATOM 8605 H HB3 . ALA A 1 10 ? -5.785 8.865 -10.868 1.00 0.00 ? 10 ALA A HB3 14 ATOM 8606 N N . MET A 1 11 ? -2.025 11.326 -10.371 1.00 0.00 ? 11 MET A N 14 ATOM 8607 C CA . MET A 1 11 ? -1.357 12.621 -10.448 1.00 0.00 ? 11 MET A CA 14 ATOM 8608 C C . MET A 1 11 ? -1.300 13.118 -11.889 1.00 0.00 ? 11 MET A C 14 ATOM 8609 O O . MET A 1 11 ? -1.973 14.084 -12.250 1.00 0.00 ? 11 MET A O 14 ATOM 8610 C CB . MET A 1 11 ? 0.057 12.524 -9.873 1.00 0.00 ? 11 MET A CB 14 ATOM 8611 C CG . MET A 1 11 ? 0.089 12.333 -8.366 1.00 0.00 ? 11 MET A CG 14 ATOM 8612 S SD . MET A 1 11 ? 1.718 11.849 -7.761 1.00 0.00 ? 11 MET A SD 14 ATOM 8613 C CE . MET A 1 11 ? 1.748 10.117 -8.218 1.00 0.00 ? 11 MET A CE 14 ATOM 8614 H H . MET A 1 11 ? -1.538 10.559 -10.004 1.00 0.00 ? 11 MET A H 14 ATOM 8615 H HA . MET A 1 11 ? -1.928 13.323 -9.859 1.00 0.00 ? 11 MET A HA 14 ATOM 8616 H HB2 . MET A 1 11 ? 0.563 11.687 -10.331 1.00 0.00 ? 11 MET A HB2 14 ATOM 8617 H HB3 . MET A 1 11 ? 0.593 13.431 -10.111 1.00 0.00 ? 11 MET A HB3 14 ATOM 8618 H HG2 . MET A 1 11 ? -0.193 13.261 -7.892 1.00 0.00 ? 11 MET A HG2 14 ATOM 8619 H HG3 . MET A 1 11 ? -0.622 11.565 -8.099 1.00 0.00 ? 11 MET A HG3 14 ATOM 8620 H HE1 . MET A 1 11 ? 2.741 9.850 -8.548 1.00 0.00 ? 11 MET A HE1 14 ATOM 8621 H HE2 . MET A 1 11 ? 1.478 9.515 -7.363 1.00 0.00 ? 11 MET A HE2 14 ATOM 8622 H HE3 . MET A 1 11 ? 1.043 9.944 -9.017 1.00 0.00 ? 11 MET A HE3 14 ATOM 8623 N N . CYS A 1 12 ? -0.494 12.451 -12.709 1.00 0.00 ? 12 CYS A N 14 ATOM 8624 C CA . CYS A 1 12 ? -0.348 12.826 -14.110 1.00 0.00 ? 12 CYS A CA 14 ATOM 8625 C C . CYS A 1 12 ? -1.711 12.927 -14.790 1.00 0.00 ? 12 CYS A C 14 ATOM 8626 O O . CYS A 1 12 ? -2.694 12.355 -14.322 1.00 0.00 ? 12 CYS A O 14 ATOM 8627 C CB . CYS A 1 12 ? 0.526 11.807 -14.844 1.00 0.00 ? 12 CYS A CB 14 ATOM 8628 S SG . CYS A 1 12 ? -0.288 10.203 -15.136 1.00 0.00 ? 12 CYS A SG 14 ATOM 8629 H H . CYS A 1 12 ? 0.017 11.689 -12.362 1.00 0.00 ? 12 CYS A H 14 ATOM 8630 H HA . CYS A 1 12 ? 0.131 13.792 -14.148 1.00 0.00 ? 12 CYS A HA 14 ATOM 8631 H HB2 . CYS A 1 12 ? 0.808 12.211 -15.805 1.00 0.00 ? 12 CYS A HB2 14 ATOM 8632 H HB3 . CYS A 1 12 ? 1.417 11.623 -14.261 1.00 0.00 ? 12 CYS A HB3 14 ATOM 8633 N N . GLY A 1 13 ? -1.760 13.659 -15.899 1.00 0.00 ? 13 GLY A N 14 ATOM 8634 C CA . GLY A 1 13 ? -3.005 13.822 -16.626 1.00 0.00 ? 13 GLY A CA 14 ATOM 8635 C C . GLY A 1 13 ? -3.762 15.066 -16.207 1.00 0.00 ? 13 GLY A C 14 ATOM 8636 O O . GLY A 1 13 ? -4.576 15.591 -16.967 1.00 0.00 ? 13 GLY A O 14 ATOM 8637 H H . GLY A 1 13 ? -0.943 14.092 -16.226 1.00 0.00 ? 13 GLY A H 14 ATOM 8638 H HA2 . GLY A 1 13 ? -2.787 13.884 -17.682 1.00 0.00 ? 13 GLY A HA2 14 ATOM 8639 H HA3 . GLY A 1 13 ? -3.628 12.958 -16.448 1.00 0.00 ? 13 GLY A HA3 14 ATOM 8640 N N . ALA A 1 14 ? -3.496 15.538 -14.994 1.00 0.00 ? 14 ALA A N 14 ATOM 8641 C CA . ALA A 1 14 ? -4.159 16.728 -14.475 1.00 0.00 ? 14 ALA A CA 14 ATOM 8642 C C . ALA A 1 14 ? -3.185 17.897 -14.369 1.00 0.00 ? 14 ALA A C 14 ATOM 8643 O O . ALA A 1 14 ? -3.379 18.809 -13.567 1.00 0.00 ? 14 ALA A O 14 ATOM 8644 C CB . ALA A 1 14 ? -4.785 16.436 -13.119 1.00 0.00 ? 14 ALA A CB 14 ATOM 8645 H H . ALA A 1 14 ? -2.838 15.076 -14.435 1.00 0.00 ? 14 ALA A H 14 ATOM 8646 H HA . ALA A 1 14 ? -4.951 16.995 -15.160 1.00 0.00 ? 14 ALA A HA 14 ATOM 8647 H HB1 . ALA A 1 14 ? -5.217 17.342 -12.720 1.00 0.00 ? 14 ALA A HB1 14 ATOM 8648 H HB2 . ALA A 1 14 ? -5.556 15.688 -13.233 1.00 0.00 ? 14 ALA A HB2 14 ATOM 8649 H HB3 . ALA A 1 14 ? -4.025 16.071 -12.444 1.00 0.00 ? 14 ALA A HB3 14 ATOM 8650 N N . GLY A 1 15 ? -2.134 17.862 -15.184 1.00 0.00 ? 15 GLY A N 14 ATOM 8651 C CA . GLY A 1 15 ? -1.145 18.923 -15.164 1.00 0.00 ? 15 GLY A CA 14 ATOM 8652 C C . GLY A 1 15 ? 0.140 18.506 -14.476 1.00 0.00 ? 15 GLY A C 14 ATOM 8653 O O . GLY A 1 15 ? 1.191 19.109 -14.691 1.00 0.00 ? 15 GLY A O 14 ATOM 8654 H H . GLY A 1 15 ? -2.031 17.109 -15.803 1.00 0.00 ? 15 GLY A H 14 ATOM 8655 H HA2 . GLY A 1 15 ? -0.920 19.209 -16.181 1.00 0.00 ? 15 GLY A HA2 14 ATOM 8656 H HA3 . GLY A 1 15 ? -1.558 19.775 -14.644 1.00 0.00 ? 15 GLY A HA3 14 ATOM 8657 N N . TYR A 1 16 ? 0.055 17.472 -13.646 1.00 0.00 ? 16 TYR A N 14 ATOM 8658 C CA . TYR A 1 16 ? 1.220 16.977 -12.921 1.00 0.00 ? 16 TYR A CA 14 ATOM 8659 C C . TYR A 1 16 ? 2.356 16.639 -13.881 1.00 0.00 ? 16 TYR A C 14 ATOM 8660 O O . TYR A 1 16 ? 3.531 16.702 -13.517 1.00 0.00 ? 16 TYR A O 14 ATOM 8661 C CB . TYR A 1 16 ? 0.847 15.743 -12.098 1.00 0.00 ? 16 TYR A CB 14 ATOM 8662 C CG . TYR A 1 16 ? 0.556 16.048 -10.646 1.00 0.00 ? 16 TYR A CG 14 ATOM 8663 C CD1 . TYR A 1 16 ? -0.701 16.485 -10.246 1.00 0.00 ? 16 TYR A CD1 14 ATOM 8664 C CD2 . TYR A 1 16 ? 1.537 15.898 -9.674 1.00 0.00 ? 16 TYR A CD2 14 ATOM 8665 C CE1 . TYR A 1 16 ? -0.971 16.766 -8.921 1.00 0.00 ? 16 TYR A CE1 14 ATOM 8666 C CE2 . TYR A 1 16 ? 1.276 16.175 -8.346 1.00 0.00 ? 16 TYR A CE2 14 ATOM 8667 C CZ . TYR A 1 16 ? 0.020 16.609 -7.975 1.00 0.00 ? 16 TYR A CZ 14 ATOM 8668 O OH . TYR A 1 16 ? -0.246 16.886 -6.654 1.00 0.00 ? 16 TYR A OH 14 ATOM 8669 H H . TYR A 1 16 ? -0.810 17.032 -13.517 1.00 0.00 ? 16 TYR A H 14 ATOM 8670 H HA . TYR A 1 16 ? 1.550 17.758 -12.251 1.00 0.00 ? 16 TYR A HA 14 ATOM 8671 H HB2 . TYR A 1 16 ? -0.033 15.287 -12.524 1.00 0.00 ? 16 TYR A HB2 14 ATOM 8672 H HB3 . TYR A 1 16 ? 1.664 15.037 -12.132 1.00 0.00 ? 16 TYR A HB3 14 ATOM 8673 H HD1 . TYR A 1 16 ? -1.475 16.606 -10.990 1.00 0.00 ? 16 TYR A HD1 14 ATOM 8674 H HD2 . TYR A 1 16 ? 2.520 15.558 -9.968 1.00 0.00 ? 16 TYR A HD2 14 ATOM 8675 H HE1 . TYR A 1 16 ? -1.954 17.105 -8.630 1.00 0.00 ? 16 TYR A HE1 14 ATOM 8676 H HE2 . TYR A 1 16 ? 2.051 16.053 -7.605 1.00 0.00 ? 16 TYR A HE2 14 ATOM 8677 H HH . TYR A 1 16 ? -1.196 16.925 -6.520 1.00 0.00 ? 16 TYR A HH 14 ATOM 8678 N N . ASP A 1 17 ? 1.997 16.281 -15.109 1.00 0.00 ? 17 ASP A N 14 ATOM 8679 C CA . ASP A 1 17 ? 2.986 15.933 -16.123 1.00 0.00 ? 17 ASP A CA 14 ATOM 8680 C C . ASP A 1 17 ? 2.742 16.716 -17.410 1.00 0.00 ? 17 ASP A C 14 ATOM 8681 O O . ASP A 1 17 ? 1.868 17.582 -17.465 1.00 0.00 ? 17 ASP A O 14 ATOM 8682 C CB . ASP A 1 17 ? 2.948 14.432 -16.410 1.00 0.00 ? 17 ASP A CB 14 ATOM 8683 C CG . ASP A 1 17 ? 3.308 13.601 -15.194 1.00 0.00 ? 17 ASP A CG 14 ATOM 8684 O OD1 . ASP A 1 17 ? 2.652 13.769 -14.146 1.00 0.00 ? 17 ASP A OD1 14 ATOM 8685 O OD2 . ASP A 1 17 ? 4.248 12.783 -15.292 1.00 0.00 ? 17 ASP A OD2 14 ATOM 8686 H H . ASP A 1 17 ? 1.045 16.249 -15.339 1.00 0.00 ? 17 ASP A H 14 ATOM 8687 H HA . ASP A 1 17 ? 3.961 16.192 -15.739 1.00 0.00 ? 17 ASP A HA 14 ATOM 8688 H HB2 . ASP A 1 17 ? 1.952 14.157 -16.728 1.00 0.00 ? 17 ASP A HB2 14 ATOM 8689 H HB3 . ASP A 1 17 ? 3.648 14.205 -17.200 1.00 0.00 ? 17 ASP A HB3 14 ATOM 8690 N N . SER A 1 18 ? 3.520 16.406 -18.442 1.00 0.00 ? 18 SER A N 14 ATOM 8691 C CA . SER A 1 18 ? 3.391 17.083 -19.727 1.00 0.00 ? 18 SER A CA 14 ATOM 8692 C C . SER A 1 18 ? 2.287 16.450 -20.567 1.00 0.00 ? 18 SER A C 14 ATOM 8693 O O . SER A 1 18 ? 2.635 15.478 -21.236 1.00 0.00 ? 18 SER A O 14 ATOM 8694 C CB . SER A 1 18 ? 4.718 17.035 -20.488 1.00 0.00 ? 18 SER A CB 14 ATOM 8695 O OG . SER A 1 18 ? 4.749 18.005 -21.520 1.00 0.00 ? 18 SER A OG 14 ATOM 8696 H H . SER A 1 18 ? 4.198 15.706 -18.336 1.00 0.00 ? 18 SER A H 14 ATOM 8697 H HA . SER A 1 18 ? 3.134 18.114 -19.534 1.00 0.00 ? 18 SER A HA 14 ATOM 8698 H HB2 . SER A 1 18 ? 5.530 17.228 -19.803 1.00 0.00 ? 18 SER A HB2 14 ATOM 8699 H HB3 . SER A 1 18 ? 4.842 16.055 -20.926 1.00 0.00 ? 18 SER A HB3 14 ATOM 8700 N N . GLY A 1 19 ? 1.139 16.461 -19.873 1.00 0.00 ? 19 GLY A N 14 ATOM 8701 C CA . GLY A 1 19 ? 0.232 15.328 -19.909 1.00 0.00 ? 19 GLY A CA 14 ATOM 8702 C C . GLY A 1 19 ? 0.903 14.063 -20.406 1.00 0.00 ? 19 GLY A C 14 ATOM 8703 O O . GLY A 1 19 ? 0.721 13.665 -21.557 1.00 0.00 ? 19 GLY A O 14 ATOM 8704 H H . GLY A 1 19 ? 0.909 17.253 -19.344 1.00 0.00 ? 19 GLY A H 14 ATOM 8705 H HA2 . GLY A 1 19 ? -0.149 15.155 -18.914 1.00 0.00 ? 19 GLY A HA2 14 ATOM 8706 H HA3 . GLY A 1 19 ? -0.595 15.564 -20.564 1.00 0.00 ? 19 GLY A HA3 14 ATOM 8707 N N . THR A 1 20 ? 1.683 13.429 -19.537 1.00 0.00 ? 20 THR A N 14 ATOM 8708 C CA . THR A 1 20 ? 2.386 12.203 -19.894 1.00 0.00 ? 20 THR A CA 14 ATOM 8709 C C . THR A 1 20 ? 2.605 11.318 -18.672 1.00 0.00 ? 20 THR A C 14 ATOM 8710 O O . THR A 1 20 ? 2.950 11.805 -17.595 1.00 0.00 ? 20 THR A O 14 ATOM 8711 C CB . THR A 1 20 ? 3.749 12.507 -20.545 1.00 0.00 ? 20 THR A CB 14 ATOM 8712 O OG1 . THR A 1 20 ? 4.278 11.321 -21.150 1.00 0.00 ? 20 THR A OG1 14 ATOM 8713 C CG2 . THR A 1 20 ? 4.734 13.039 -19.515 1.00 0.00 ? 20 THR A CG2 14 ATOM 8714 H H . THR A 1 20 ? 1.788 13.795 -18.634 1.00 0.00 ? 20 THR A H 14 ATOM 8715 H HA . THR A 1 20 ? 1.780 11.668 -20.611 1.00 0.00 ? 20 THR A HA 14 ATOM 8716 H HB . THR A 1 20 ? 3.607 13.259 -21.308 1.00 0.00 ? 20 THR A HB 14 ATOM 8717 H HG1 . THR A 1 20 ? 4.242 11.407 -22.106 1.00 0.00 ? 20 THR A HG1 14 ATOM 8718 H HG21 . THR A 1 20 ? 4.907 12.286 -18.760 1.00 0.00 ? 20 THR A HG21 14 ATOM 8719 H HG22 . THR A 1 20 ? 4.326 13.925 -19.051 1.00 0.00 ? 20 THR A HG22 14 ATOM 8720 H HG23 . THR A 1 20 ? 5.667 13.283 -20.001 1.00 0.00 ? 20 THR A HG23 14 ATOM 8721 N N . CYS A 1 21 ? 2.403 10.017 -18.846 1.00 0.00 ? 21 CYS A N 14 ATOM 8722 C CA . CYS A 1 21 ? 2.578 9.063 -17.758 1.00 0.00 ? 21 CYS A CA 14 ATOM 8723 C C . CYS A 1 21 ? 3.476 7.906 -18.187 1.00 0.00 ? 21 CYS A C 14 ATOM 8724 O O . CYS A 1 21 ? 4.061 7.930 -19.270 1.00 0.00 ? 21 CYS A O 14 ATOM 8725 C CB . CYS A 1 21 ? 1.221 8.526 -17.298 1.00 0.00 ? 21 CYS A CB 14 ATOM 8726 S SG . CYS A 1 21 ? -0.049 9.813 -17.071 1.00 0.00 ? 21 CYS A SG 14 ATOM 8727 H H . CYS A 1 21 ? 2.128 9.689 -19.729 1.00 0.00 ? 21 CYS A H 14 ATOM 8728 H HA . CYS A 1 21 ? 3.048 9.581 -16.935 1.00 0.00 ? 21 CYS A HA 14 ATOM 8729 H HB2 . CYS A 1 21 ? 0.851 7.827 -18.034 1.00 0.00 ? 21 CYS A HB2 14 ATOM 8730 H HB3 . CYS A 1 21 ? 1.345 8.016 -16.355 1.00 0.00 ? 21 CYS A HB3 14 ATOM 8731 N N . ASP A 1 22 ? 3.579 6.896 -17.331 1.00 0.00 ? 22 ASP A N 14 ATOM 8732 C CA . ASP A 1 22 ? 4.404 5.729 -17.622 1.00 0.00 ? 22 ASP A CA 14 ATOM 8733 C C . ASP A 1 22 ? 3.918 4.512 -16.840 1.00 0.00 ? 22 ASP A C 14 ATOM 8734 O O . ASP A 1 22 ? 3.276 3.621 -17.396 1.00 0.00 ? 22 ASP A O 14 ATOM 8735 C CB . ASP A 1 22 ? 5.868 6.016 -17.284 1.00 0.00 ? 22 ASP A CB 14 ATOM 8736 C CG . ASP A 1 22 ? 6.725 6.186 -18.523 1.00 0.00 ? 22 ASP A CG 14 ATOM 8737 O OD1 . ASP A 1 22 ? 6.669 5.307 -19.408 1.00 0.00 ? 22 ASP A OD1 14 ATOM 8738 O OD2 . ASP A 1 22 ? 7.452 7.198 -18.608 1.00 0.00 ? 22 ASP A OD2 14 ATOM 8739 H H . ASP A 1 22 ? 3.088 6.935 -16.483 1.00 0.00 ? 22 ASP A H 14 ATOM 8740 H HA . ASP A 1 22 ? 4.322 5.519 -18.677 1.00 0.00 ? 22 ASP A HA 14 ATOM 8741 H HB2 . ASP A 1 22 ? 5.925 6.924 -16.703 1.00 0.00 ? 22 ASP A HB2 14 ATOM 8742 H HB3 . ASP A 1 22 ? 6.264 5.196 -16.704 1.00 0.00 ? 22 ASP A HB3 14 ATOM 8743 N N . TYR A 1 23 ? 4.230 4.481 -15.550 1.00 0.00 ? 23 TYR A N 14 ATOM 8744 C CA . TYR A 1 23 ? 3.829 3.371 -14.693 1.00 0.00 ? 23 TYR A CA 14 ATOM 8745 C C . TYR A 1 23 ? 2.310 3.302 -14.567 1.00 0.00 ? 23 TYR A C 14 ATOM 8746 O O . TYR A 1 23 ? 1.746 2.240 -14.306 1.00 0.00 ? 23 TYR A O 14 ATOM 8747 C CB . TYR A 1 23 ? 4.460 3.516 -13.307 1.00 0.00 ? 23 TYR A CB 14 ATOM 8748 C CG . TYR A 1 23 ? 5.930 3.866 -13.345 1.00 0.00 ? 23 TYR A CG 14 ATOM 8749 C CD1 . TYR A 1 23 ? 6.840 3.059 -14.018 1.00 0.00 ? 23 TYR A CD1 14 ATOM 8750 C CD2 . TYR A 1 23 ? 6.410 5.004 -12.708 1.00 0.00 ? 23 TYR A CD2 14 ATOM 8751 C CE1 . TYR A 1 23 ? 8.184 3.375 -14.054 1.00 0.00 ? 23 TYR A CE1 14 ATOM 8752 C CE2 . TYR A 1 23 ? 7.753 5.328 -12.741 1.00 0.00 ? 23 TYR A CE2 14 ATOM 8753 C CZ . TYR A 1 23 ? 8.636 4.510 -13.415 1.00 0.00 ? 23 TYR A CZ 14 ATOM 8754 O OH . TYR A 1 23 ? 9.974 4.829 -13.450 1.00 0.00 ? 23 TYR A OH 14 ATOM 8755 H H . TYR A 1 23 ? 4.744 5.220 -15.164 1.00 0.00 ? 23 TYR A H 14 ATOM 8756 H HA . TYR A 1 23 ? 4.183 2.457 -15.146 1.00 0.00 ? 23 TYR A HA 14 ATOM 8757 H HB2 . TYR A 1 23 ? 3.948 4.296 -12.765 1.00 0.00 ? 23 TYR A HB2 14 ATOM 8758 H HB3 . TYR A 1 23 ? 4.354 2.583 -12.772 1.00 0.00 ? 23 TYR A HB3 14 ATOM 8759 H HD1 . TYR A 1 23 ? 6.483 2.171 -14.518 1.00 0.00 ? 23 TYR A HD1 14 ATOM 8760 H HD2 . TYR A 1 23 ? 5.716 5.643 -12.181 1.00 0.00 ? 23 TYR A HD2 14 ATOM 8761 H HE1 . TYR A 1 23 ? 8.876 2.735 -14.582 1.00 0.00 ? 23 TYR A HE1 14 ATOM 8762 H HE2 . TYR A 1 23 ? 8.107 6.217 -12.240 1.00 0.00 ? 23 TYR A HE2 14 ATOM 8763 H HH . TYR A 1 23 ? 10.441 4.190 -13.994 1.00 0.00 ? 23 TYR A HH 14 ATOM 8764 N N . MET A 1 24 ? 1.654 4.443 -14.757 1.00 0.00 ? 24 MET A N 14 ATOM 8765 C CA . MET A 1 24 ? 0.201 4.512 -14.667 1.00 0.00 ? 24 MET A CA 14 ATOM 8766 C C . MET A 1 24 ? -0.452 3.650 -15.743 1.00 0.00 ? 24 MET A C 14 ATOM 8767 O O . MET A 1 24 ? -1.415 2.930 -15.476 1.00 0.00 ? 24 MET A O 14 ATOM 8768 C CB . MET A 1 24 ? -0.272 5.961 -14.801 1.00 0.00 ? 24 MET A CB 14 ATOM 8769 C CG . MET A 1 24 ? 0.010 6.809 -13.571 1.00 0.00 ? 24 MET A CG 14 ATOM 8770 S SD . MET A 1 24 ? 1.641 7.577 -13.616 1.00 0.00 ? 24 MET A SD 14 ATOM 8771 C CE . MET A 1 24 ? 2.553 6.498 -12.514 1.00 0.00 ? 24 MET A CE 14 ATOM 8772 H H . MET A 1 24 ? 2.160 5.257 -14.962 1.00 0.00 ? 24 MET A H 14 ATOM 8773 H HA . MET A 1 24 ? -0.089 4.137 -13.697 1.00 0.00 ? 24 MET A HA 14 ATOM 8774 H HB2 . MET A 1 24 ? 0.227 6.413 -15.645 1.00 0.00 ? 24 MET A HB2 14 ATOM 8775 H HB3 . MET A 1 24 ? -1.337 5.966 -14.978 1.00 0.00 ? 24 MET A HB3 14 ATOM 8776 H HG2 . MET A 1 24 ? -0.736 7.586 -13.507 1.00 0.00 ? 24 MET A HG2 14 ATOM 8777 H HG3 . MET A 1 24 ? -0.053 6.179 -12.696 1.00 0.00 ? 24 MET A HG3 14 ATOM 8778 H HE1 . MET A 1 24 ? 2.483 6.874 -11.504 1.00 0.00 ? 24 MET A HE1 14 ATOM 8779 H HE2 . MET A 1 24 ? 2.137 5.503 -12.558 1.00 0.00 ? 24 MET A HE2 14 ATOM 8780 H HE3 . MET A 1 24 ? 3.590 6.469 -12.817 1.00 0.00 ? 24 MET A HE3 14 ATOM 8781 N N . TYR A 1 25 ? 0.076 3.730 -16.959 1.00 0.00 ? 25 TYR A N 14 ATOM 8782 C CA . TYR A 1 25 ? -0.457 2.959 -18.076 1.00 0.00 ? 25 TYR A CA 14 ATOM 8783 C C . TYR A 1 25 ? -0.226 1.465 -17.867 1.00 0.00 ? 25 TYR A C 14 ATOM 8784 O O . TYR A 1 25 ? -0.765 0.634 -18.597 1.00 0.00 ? 25 TYR A O 14 ATOM 8785 C CB . TYR A 1 25 ? 0.188 3.408 -19.387 1.00 0.00 ? 25 TYR A CB 14 ATOM 8786 C CG . TYR A 1 25 ? -0.399 4.685 -19.945 1.00 0.00 ? 25 TYR A CG 14 ATOM 8787 C CD1 . TYR A 1 25 ? -0.437 5.846 -19.183 1.00 0.00 ? 25 TYR A CD1 14 ATOM 8788 C CD2 . TYR A 1 25 ? -0.916 4.730 -21.234 1.00 0.00 ? 25 TYR A CD2 14 ATOM 8789 C CE1 . TYR A 1 25 ? -0.974 7.015 -19.688 1.00 0.00 ? 25 TYR A CE1 14 ATOM 8790 C CE2 . TYR A 1 25 ? -1.453 5.895 -21.748 1.00 0.00 ? 25 TYR A CE2 14 ATOM 8791 C CZ . TYR A 1 25 ? -1.480 7.034 -20.971 1.00 0.00 ? 25 TYR A CZ 14 ATOM 8792 O OH . TYR A 1 25 ? -2.015 8.196 -21.478 1.00 0.00 ? 25 TYR A OH 14 ATOM 8793 H H . TYR A 1 25 ? 0.842 4.321 -17.110 1.00 0.00 ? 25 TYR A H 14 ATOM 8794 H HA . TYR A 1 25 ? -1.521 3.143 -18.128 1.00 0.00 ? 25 TYR A HA 14 ATOM 8795 H HB2 . TYR A 1 25 ? 1.242 3.572 -19.224 1.00 0.00 ? 25 TYR A HB2 14 ATOM 8796 H HB3 . TYR A 1 25 ? 0.060 2.632 -20.128 1.00 0.00 ? 25 TYR A HB3 14 ATOM 8797 H HD1 . TYR A 1 25 ? -0.040 5.828 -18.178 1.00 0.00 ? 25 TYR A HD1 14 ATOM 8798 H HD2 . TYR A 1 25 ? -0.894 3.836 -21.840 1.00 0.00 ? 25 TYR A HD2 14 ATOM 8799 H HE1 . TYR A 1 25 ? -0.995 7.907 -19.080 1.00 0.00 ? 25 TYR A HE1 14 ATOM 8800 H HE2 . TYR A 1 25 ? -1.849 5.910 -22.752 1.00 0.00 ? 25 TYR A HE2 14 ATOM 8801 H HH . TYR A 1 25 ? -1.747 8.298 -22.395 1.00 0.00 ? 25 TYR A HH 14 ATOM 8802 N N . SER A 1 26 ? 0.581 1.133 -16.864 1.00 0.00 ? 26 SER A N 14 ATOM 8803 C CA . SER A 1 26 ? 0.888 -0.260 -16.559 1.00 0.00 ? 26 SER A CA 14 ATOM 8804 C C . SER A 1 26 ? -0.171 -0.861 -15.640 1.00 0.00 ? 26 SER A C 14 ATOM 8805 O O . SER A 1 26 ? 0.112 -1.770 -14.858 1.00 0.00 ? 26 SER A O 14 ATOM 8806 C CB . SER A 1 26 ? 2.267 -0.369 -15.907 1.00 0.00 ? 26 SER A CB 14 ATOM 8807 O OG . SER A 1 26 ? 2.721 -1.712 -15.897 1.00 0.00 ? 26 SER A OG 14 ATOM 8808 H H . SER A 1 26 ? 0.980 1.841 -16.317 1.00 0.00 ? 26 SER A H 14 ATOM 8809 H HA . SER A 1 26 ? 0.894 -0.809 -17.489 1.00 0.00 ? 26 SER A HA 14 ATOM 8810 H HB2 . SER A 1 26 ? 2.972 0.232 -16.460 1.00 0.00 ? 26 SER A HB2 14 ATOM 8811 H HB3 . SER A 1 26 ? 2.210 -0.013 -14.889 1.00 0.00 ? 26 SER A HB3 14 ATOM 8812 H HG . SER A 1 26 ? 2.076 -2.265 -15.450 1.00 0.00 ? 26 SER A HG 14 ATOM 8813 N N . HIS A 1 27 ? -1.393 -0.347 -15.739 1.00 0.00 ? 27 HIS A N 14 ATOM 8814 C CA . HIS A 1 27 ? -2.496 -0.833 -14.918 1.00 0.00 ? 27 HIS A CA 14 ATOM 8815 C C . HIS A 1 27 ? -2.145 -0.751 -13.435 1.00 0.00 ? 27 HIS A C 14 ATOM 8816 O O . HIS A 1 27 ? -2.248 -1.739 -12.707 1.00 0.00 ? 27 HIS A O 14 ATOM 8817 C CB . HIS A 1 27 ? -2.844 -2.274 -15.293 1.00 0.00 ? 27 HIS A CB 14 ATOM 8818 C CG . HIS A 1 27 ? -3.784 -2.380 -16.454 1.00 0.00 ? 27 HIS A CG 14 ATOM 8819 N ND1 . HIS A 1 27 ? -3.976 -3.547 -17.162 1.00 0.00 ? 27 HIS A ND1 14 ATOM 8820 C CD2 . HIS A 1 27 ? -4.589 -1.456 -17.028 1.00 0.00 ? 27 HIS A CD2 14 ATOM 8821 C CE1 . HIS A 1 27 ? -4.858 -3.336 -18.123 1.00 0.00 ? 27 HIS A CE1 14 ATOM 8822 N NE2 . HIS A 1 27 ? -5.246 -2.075 -18.063 1.00 0.00 ? 27 HIS A NE2 14 ATOM 8823 H H . HIS A 1 27 ? -1.557 0.375 -16.381 1.00 0.00 ? 27 HIS A H 14 ATOM 8824 H HA . HIS A 1 27 ? -3.353 -0.204 -15.107 1.00 0.00 ? 27 HIS A HA 14 ATOM 8825 H HB2 . HIS A 1 27 ? -1.937 -2.800 -15.552 1.00 0.00 ? 27 HIS A HB2 14 ATOM 8826 H HB3 . HIS A 1 27 ? -3.306 -2.758 -14.445 1.00 0.00 ? 27 HIS A HB3 14 ATOM 8827 H HD1 . HIS A 1 27 ? -3.531 -4.402 -16.988 1.00 0.00 ? 27 HIS A HD1 14 ATOM 8828 H HD2 . HIS A 1 27 ? -4.696 -0.423 -16.729 1.00 0.00 ? 27 HIS A HD2 14 ATOM 8829 H HE1 . HIS A 1 27 ? -5.204 -4.070 -18.836 1.00 0.00 ? 27 HIS A HE1 14 ATOM 8830 N N . CYS A 1 28 ? -1.730 0.432 -12.994 1.00 0.00 ? 28 CYS A N 14 ATOM 8831 C CA . CYS A 1 28 ? -1.363 0.643 -11.599 1.00 0.00 ? 28 CYS A CA 14 ATOM 8832 C C . CYS A 1 28 ? -2.287 1.664 -10.942 1.00 0.00 ? 28 CYS A C 14 ATOM 8833 O O . CYS A 1 28 ? -2.363 1.750 -9.716 1.00 0.00 ? 28 CYS A O 14 ATOM 8834 C CB . CYS A 1 28 ? 0.089 1.112 -11.498 1.00 0.00 ? 28 CYS A CB 14 ATOM 8835 S SG . CYS A 1 28 ? 0.983 0.459 -10.051 1.00 0.00 ? 28 CYS A SG 14 ATOM 8836 H H . CYS A 1 28 ? -1.669 1.182 -13.623 1.00 0.00 ? 28 CYS A H 14 ATOM 8837 H HA . CYS A 1 28 ? -1.464 -0.300 -11.083 1.00 0.00 ? 28 CYS A HA 14 ATOM 8838 H HB2 . CYS A 1 28 ? 0.624 0.798 -12.383 1.00 0.00 ? 28 CYS A HB2 14 ATOM 8839 H HB3 . CYS A 1 28 ? 0.108 2.190 -11.437 1.00 0.00 ? 28 CYS A HB3 14 ATOM 8840 N N . PHE A 1 29 ? -2.987 2.436 -11.766 1.00 0.00 ? 29 PHE A N 14 ATOM 8841 C CA . PHE A 1 29 ? -3.906 3.452 -11.266 1.00 0.00 ? 29 PHE A CA 14 ATOM 8842 C C . PHE A 1 29 ? -5.336 3.157 -11.707 1.00 0.00 ? 29 PHE A C 14 ATOM 8843 O O . PHE A 1 29 ? -6.296 3.599 -11.076 1.00 0.00 ? 29 PHE A O 14 ATOM 8844 C CB . PHE A 1 29 ? -3.484 4.838 -11.759 1.00 0.00 ? 29 PHE A CB 14 ATOM 8845 C CG . PHE A 1 29 ? -2.334 5.423 -10.991 1.00 0.00 ? 29 PHE A CG 14 ATOM 8846 C CD1 . PHE A 1 29 ? -1.135 4.737 -10.881 1.00 0.00 ? 29 PHE A CD1 14 ATOM 8847 C CD2 . PHE A 1 29 ? -2.451 6.661 -10.378 1.00 0.00 ? 29 PHE A CD2 14 ATOM 8848 C CE1 . PHE A 1 29 ? -0.076 5.273 -10.174 1.00 0.00 ? 29 PHE A CE1 14 ATOM 8849 C CE2 . PHE A 1 29 ? -1.395 7.202 -9.670 1.00 0.00 ? 29 PHE A CE2 14 ATOM 8850 C CZ . PHE A 1 29 ? -0.205 6.508 -9.569 1.00 0.00 ? 29 PHE A CZ 14 ATOM 8851 H H . PHE A 1 29 ? -2.884 2.320 -12.734 1.00 0.00 ? 29 PHE A H 14 ATOM 8852 H HA . PHE A 1 29 ? -3.863 3.435 -10.188 1.00 0.00 ? 29 PHE A HA 14 ATOM 8853 H HB2 . PHE A 1 29 ? -3.189 4.769 -12.795 1.00 0.00 ? 29 PHE A HB2 14 ATOM 8854 H HB3 . PHE A 1 29 ? -4.321 5.514 -11.671 1.00 0.00 ? 29 PHE A HB3 14 ATOM 8855 H HD1 . PHE A 1 29 ? -1.032 3.772 -11.355 1.00 0.00 ? 29 PHE A HD1 14 ATOM 8856 H HD2 . PHE A 1 29 ? -3.381 7.205 -10.457 1.00 0.00 ? 29 PHE A HD2 14 ATOM 8857 H HE1 . PHE A 1 29 ? 0.853 4.728 -10.097 1.00 0.00 ? 29 PHE A HE1 14 ATOM 8858 H HE2 . PHE A 1 29 ? -1.499 8.168 -9.198 1.00 0.00 ? 29 PHE A HE2 14 ATOM 8859 H HZ . PHE A 1 29 ? 0.621 6.928 -9.015 1.00 0.00 ? 29 PHE A HZ 14 ATOM 8860 N N . GLY A 1 30 ? -5.471 2.406 -12.796 1.00 0.00 ? 30 GLY A N 14 ATOM 8861 C CA . GLY A 1 30 ? -6.787 2.064 -13.303 1.00 0.00 ? 30 GLY A CA 14 ATOM 8862 C C . GLY A 1 30 ? -7.352 3.135 -14.215 1.00 0.00 ? 30 GLY A C 14 ATOM 8863 O O . GLY A 1 30 ? -8.569 3.282 -14.332 1.00 0.00 ? 30 GLY A O 14 ATOM 8864 H H . GLY A 1 30 ? -4.670 2.081 -13.258 1.00 0.00 ? 30 GLY A H 14 ATOM 8865 H HA2 . GLY A 1 30 ? -6.719 1.137 -13.853 1.00 0.00 ? 30 GLY A HA2 14 ATOM 8866 H HA3 . GLY A 1 30 ? -7.458 1.928 -12.468 1.00 0.00 ? 30 GLY A HA3 14 ATOM 8867 N N . VAL A 1 31 ? -6.467 3.886 -14.863 1.00 0.00 ? 31 VAL A N 14 ATOM 8868 C CA . VAL A 1 31 ? -6.885 4.950 -15.768 1.00 0.00 ? 31 VAL A CA 14 ATOM 8869 C C . VAL A 1 31 ? -6.770 4.510 -17.223 1.00 0.00 ? 31 VAL A C 14 ATOM 8870 O O . VAL A 1 31 ? -7.568 4.910 -18.070 1.00 0.00 ? 31 VAL A O 14 ATOM 8871 C CB . VAL A 1 31 ? -6.046 6.225 -15.561 1.00 0.00 ? 31 VAL A CB 14 ATOM 8872 C CG1 . VAL A 1 31 ? -6.215 6.751 -14.144 1.00 0.00 ? 31 VAL A CG1 14 ATOM 8873 C CG2 . VAL A 1 31 ? -4.581 5.954 -15.867 1.00 0.00 ? 31 VAL A CG2 14 ATOM 8874 H H . VAL A 1 31 ? -5.511 3.721 -14.729 1.00 0.00 ? 31 VAL A H 14 ATOM 8875 H HA . VAL A 1 31 ? -7.918 5.185 -15.554 1.00 0.00 ? 31 VAL A HA 14 ATOM 8876 H HB . VAL A 1 31 ? -6.401 6.981 -16.246 1.00 0.00 ? 31 VAL A HB 14 ATOM 8877 H HG11 . VAL A 1 31 ? -5.834 6.024 -13.442 1.00 0.00 ? 31 VAL A HG11 14 ATOM 8878 H HG12 . VAL A 1 31 ? -5.670 7.677 -14.036 1.00 0.00 ? 31 VAL A HG12 14 ATOM 8879 H HG13 . VAL A 1 31 ? -7.263 6.925 -13.947 1.00 0.00 ? 31 VAL A HG13 14 ATOM 8880 H HG21 . VAL A 1 31 ? -4.349 6.307 -16.860 1.00 0.00 ? 31 VAL A HG21 14 ATOM 8881 H HG22 . VAL A 1 31 ? -3.963 6.470 -15.147 1.00 0.00 ? 31 VAL A HG22 14 ATOM 8882 H HG23 . VAL A 1 31 ? -4.391 4.892 -15.809 1.00 0.00 ? 31 VAL A HG23 14 ATOM 8883 N N . LYS A 1 32 ? -5.770 3.682 -17.508 1.00 0.00 ? 32 LYS A N 14 ATOM 8884 C CA . LYS A 1 32 ? -5.549 3.185 -18.860 1.00 0.00 ? 32 LYS A CA 14 ATOM 8885 C C . LYS A 1 32 ? -6.760 2.401 -19.356 1.00 0.00 ? 32 LYS A C 14 ATOM 8886 O O . LYS A 1 32 ? -7.388 1.662 -18.596 1.00 0.00 ? 32 LYS A O 14 ATOM 8887 C CB . LYS A 1 32 ? -4.302 2.298 -18.902 1.00 0.00 ? 32 LYS A CB 14 ATOM 8888 C CG . LYS A 1 32 ? -3.618 2.274 -20.258 1.00 0.00 ? 32 LYS A CG 14 ATOM 8889 C CD . LYS A 1 32 ? -3.978 1.023 -21.042 1.00 0.00 ? 32 LYS A CD 14 ATOM 8890 C CE . LYS A 1 32 ? -3.403 -0.226 -20.393 1.00 0.00 ? 32 LYS A CE 14 ATOM 8891 N NZ . LYS A 1 32 ? -3.398 -1.386 -21.328 1.00 0.00 ? 32 LYS A NZ 14 ATOM 8892 H H . LYS A 1 32 ? -5.165 3.398 -16.789 1.00 0.00 ? 32 LYS A H 14 ATOM 8893 H HA . LYS A 1 32 ? -5.397 4.036 -19.506 1.00 0.00 ? 32 LYS A HA 14 ATOM 8894 H HB2 . LYS A 1 32 ? -3.594 2.658 -18.171 1.00 0.00 ? 32 LYS A HB2 14 ATOM 8895 H HB3 . LYS A 1 32 ? -4.586 1.287 -18.648 1.00 0.00 ? 32 LYS A HB3 14 ATOM 8896 H HG2 . LYS A 1 32 ? -3.928 3.141 -20.823 1.00 0.00 ? 32 LYS A HG2 14 ATOM 8897 H HG3 . LYS A 1 32 ? -2.548 2.301 -20.112 1.00 0.00 ? 32 LYS A HG3 14 ATOM 8898 H HD2 . LYS A 1 32 ? -5.053 0.931 -21.083 1.00 0.00 ? 32 LYS A HD2 14 ATOM 8899 H HD3 . LYS A 1 32 ? -3.584 1.111 -22.045 1.00 0.00 ? 32 LYS A HD3 14 ATOM 8900 H HE2 . LYS A 1 32 ? -2.390 -0.021 -20.083 1.00 0.00 ? 32 LYS A HE2 14 ATOM 8901 H HE3 . LYS A 1 32 ? -4.000 -0.474 -19.528 1.00 0.00 ? 32 LYS A HE3 14 ATOM 8902 H HZ1 . LYS A 1 32 ? -3.401 -1.051 -22.312 1.00 0.00 ? 32 LYS A HZ1 14 ATOM 8903 H HZ2 . LYS A 1 32 ? -4.241 -1.974 -21.170 1.00 0.00 ? 32 LYS A HZ2 14 ATOM 8904 H HZ3 . LYS A 1 32 ? -2.550 -1.966 -21.173 1.00 0.00 ? 32 LYS A HZ3 14 ATOM 8905 N N . HIS A 1 33 ? -7.082 2.566 -20.635 1.00 0.00 ? 33 HIS A N 14 ATOM 8906 C CA . HIS A 1 33 ? -8.218 1.871 -21.233 1.00 0.00 ? 33 HIS A CA 14 ATOM 8907 C C . HIS A 1 33 ? -7.905 1.452 -22.666 1.00 0.00 ? 33 HIS A C 14 ATOM 8908 O O . HIS A 1 33 ? -8.416 2.037 -23.620 1.00 0.00 ? 33 HIS A O 14 ATOM 8909 C CB . HIS A 1 33 ? -9.458 2.765 -21.210 1.00 0.00 ? 33 HIS A CB 14 ATOM 8910 C CG . HIS A 1 33 ? -10.310 2.576 -19.993 1.00 0.00 ? 33 HIS A CG 14 ATOM 8911 N ND1 . HIS A 1 33 ? -10.727 1.339 -19.551 1.00 0.00 ? 33 HIS A ND1 14 ATOM 8912 C CD2 . HIS A 1 33 ? -10.821 3.477 -19.121 1.00 0.00 ? 33 HIS A CD2 14 ATOM 8913 C CE1 . HIS A 1 33 ? -11.460 1.487 -18.461 1.00 0.00 ? 33 HIS A CE1 14 ATOM 8914 N NE2 . HIS A 1 33 ? -11.532 2.775 -18.180 1.00 0.00 ? 33 HIS A NE2 14 ATOM 8915 H H . HIS A 1 33 ? -6.544 3.167 -21.190 1.00 0.00 ? 33 HIS A H 14 ATOM 8916 H HA . HIS A 1 33 ? -8.411 0.986 -20.646 1.00 0.00 ? 33 HIS A HA 14 ATOM 8917 H HB2 . HIS A 1 33 ? -9.149 3.799 -21.241 1.00 0.00 ? 33 HIS A HB2 14 ATOM 8918 H HB3 . HIS A 1 33 ? -10.065 2.549 -22.077 1.00 0.00 ? 33 HIS A HB3 14 ATOM 8919 H HD1 . HIS A 1 33 ? -10.519 0.480 -19.973 1.00 0.00 ? 33 HIS A HD1 14 ATOM 8920 H HD2 . HIS A 1 33 ? -10.694 4.550 -19.160 1.00 0.00 ? 33 HIS A HD2 14 ATOM 8921 H HE1 . HIS A 1 33 ? -11.922 0.691 -17.897 1.00 0.00 ? 33 HIS A HE1 14 ATOM 8922 N N . SER A 1 34 ? -7.061 0.435 -22.809 1.00 0.00 ? 34 SER A N 14 ATOM 8923 C CA . SER A 1 34 ? -6.676 -0.060 -24.125 1.00 0.00 ? 34 SER A CA 14 ATOM 8924 C C . SER A 1 34 ? -6.097 1.063 -24.980 1.00 0.00 ? 34 SER A C 14 ATOM 8925 O O . SER A 1 34 ? -6.205 1.044 -26.206 1.00 0.00 ? 34 SER A O 14 ATOM 8926 C CB . SER A 1 34 ? -7.881 -0.684 -24.831 1.00 0.00 ? 34 SER A CB 14 ATOM 8927 O OG . SER A 1 34 ? -8.621 0.296 -25.539 1.00 0.00 ? 34 SER A OG 14 ATOM 8928 H H . SER A 1 34 ? -6.686 0.009 -22.009 1.00 0.00 ? 34 SER A H 14 ATOM 8929 H HA . SER A 1 34 ? -5.919 -0.818 -23.986 1.00 0.00 ? 34 SER A HA 14 ATOM 8930 H HB2 . SER A 1 34 ? -7.539 -1.433 -25.529 1.00 0.00 ? 34 SER A HB2 14 ATOM 8931 H HB3 . SER A 1 34 ? -8.527 -1.144 -24.097 1.00 0.00 ? 34 SER A HB3 14 ATOM 8932 H HG . SER A 1 34 ? -8.773 -0.005 -26.438 1.00 0.00 ? 34 SER A HG 14 ATOM 8933 N N . SER A 1 35 ? -5.482 2.041 -24.323 1.00 0.00 ? 35 SER A N 14 ATOM 8934 C CA . SER A 1 35 ? -4.888 3.176 -25.021 1.00 0.00 ? 35 SER A CA 14 ATOM 8935 C C . SER A 1 35 ? -3.412 2.923 -25.312 1.00 0.00 ? 35 SER A C 14 ATOM 8936 O O . SER A 1 35 ? -2.535 3.409 -24.599 1.00 0.00 ? 35 SER A O 14 ATOM 8937 C CB . SER A 1 35 ? -5.045 4.451 -24.190 1.00 0.00 ? 35 SER A CB 14 ATOM 8938 O OG . SER A 1 35 ? -4.815 5.605 -24.980 1.00 0.00 ? 35 SER A OG 14 ATOM 8939 H H . SER A 1 35 ? -5.428 2.000 -23.345 1.00 0.00 ? 35 SER A H 14 ATOM 8940 H HA . SER A 1 35 ? -5.412 3.300 -25.957 1.00 0.00 ? 35 SER A HA 14 ATOM 8941 H HB2 . SER A 1 35 ? -6.046 4.497 -23.791 1.00 0.00 ? 35 SER A HB2 14 ATOM 8942 H HB3 . SER A 1 35 ? -4.333 4.437 -23.377 1.00 0.00 ? 35 SER A HB3 14 ATOM 8943 H HG . SER A 1 35 ? -4.788 6.380 -24.414 1.00 0.00 ? 35 SER A HG 14 ATOM 8944 N N . GLY A 1 36 ? -3.146 2.157 -26.365 1.00 0.00 ? 36 GLY A N 14 ATOM 8945 C CA . GLY A 1 36 ? -1.776 1.851 -26.733 1.00 0.00 ? 36 GLY A CA 14 ATOM 8946 C C . GLY A 1 36 ? -1.667 0.591 -27.569 1.00 0.00 ? 36 GLY A C 14 ATOM 8947 O O . GLY A 1 36 ? -2.328 0.461 -28.598 1.00 0.00 ? 36 GLY A O 14 ATOM 8948 H H . GLY A 1 36 ? -3.886 1.796 -26.897 1.00 0.00 ? 36 GLY A H 14 ATOM 8949 H HA2 . GLY A 1 36 ? -1.372 2.680 -27.296 1.00 0.00 ? 36 GLY A HA2 14 ATOM 8950 H HA3 . GLY A 1 36 ? -1.193 1.723 -25.833 1.00 0.00 ? 36 GLY A HA3 14 ATOM 8951 N N . GLY A 1 37 ? -0.827 -0.340 -27.126 1.00 0.00 ? 37 GLY A N 14 ATOM 8952 C CA . GLY A 1 37 ? -0.648 -1.583 -27.853 1.00 0.00 ? 37 GLY A CA 14 ATOM 8953 C C . GLY A 1 37 ? -0.373 -2.757 -26.935 1.00 0.00 ? 37 GLY A C 14 ATOM 8954 O O . GLY A 1 37 ? -1.269 -3.233 -26.239 1.00 0.00 ? 37 GLY A O 14 ATOM 8955 H H . GLY A 1 37 ? -0.326 -0.182 -26.299 1.00 0.00 ? 37 GLY A H 14 ATOM 8956 H HA2 . GLY A 1 37 ? -1.542 -1.787 -28.423 1.00 0.00 ? 37 GLY A HA2 14 ATOM 8957 H HA3 . GLY A 1 37 ? 0.183 -1.472 -28.534 1.00 0.00 ? 37 GLY A HA3 14 ATOM 8958 N N . GLY A 1 38 ? 0.871 -3.228 -26.934 1.00 0.00 ? 38 GLY A N 14 ATOM 8959 C CA . GLY A 1 38 ? 1.238 -4.351 -26.092 1.00 0.00 ? 38 GLY A CA 14 ATOM 8960 C C . GLY A 1 38 ? 1.358 -3.966 -24.631 1.00 0.00 ? 38 GLY A C 14 ATOM 8961 O O . GLY A 1 38 ? 1.311 -2.786 -24.287 1.00 0.00 ? 38 GLY A O 14 ATOM 8962 H H . GLY A 1 38 ? 1.544 -2.809 -27.510 1.00 0.00 ? 38 GLY A H 14 ATOM 8963 H HA2 . GLY A 1 38 ? 0.487 -5.122 -26.190 1.00 0.00 ? 38 GLY A HA2 14 ATOM 8964 H HA3 . GLY A 1 38 ? 2.187 -4.743 -26.428 1.00 0.00 ? 38 GLY A HA3 14 ATOM 8965 N N . GLY A 1 39 ? 1.512 -4.966 -23.767 1.00 0.00 ? 39 GLY A N 14 ATOM 8966 C CA . GLY A 1 39 ? 1.634 -4.705 -22.345 1.00 0.00 ? 39 GLY A CA 14 ATOM 8967 C C . GLY A 1 39 ? 0.290 -4.657 -21.646 1.00 0.00 ? 39 GLY A C 14 ATOM 8968 O O . GLY A 1 39 ? 0.110 -3.916 -20.680 1.00 0.00 ? 39 GLY A O 14 ATOM 8969 H H . GLY A 1 39 ? 1.542 -5.887 -24.099 1.00 0.00 ? 39 GLY A H 14 ATOM 8970 H HA2 . GLY A 1 39 ? 2.233 -5.483 -21.897 1.00 0.00 ? 39 GLY A HA2 14 ATOM 8971 H HA3 . GLY A 1 39 ? 2.132 -3.756 -22.206 1.00 0.00 ? 39 GLY A HA3 14 ATOM 8972 N N . SER A 1 40 ? -0.659 -5.449 -22.137 1.00 0.00 ? 40 SER A N 14 ATOM 8973 C CA . SER A 1 40 ? -1.996 -5.490 -21.556 1.00 0.00 ? 40 SER A CA 14 ATOM 8974 C C . SER A 1 40 ? -2.141 -6.678 -20.610 1.00 0.00 ? 40 SER A C 14 ATOM 8975 O O . SER A 1 40 ? -2.048 -7.833 -21.027 1.00 0.00 ? 40 SER A O 14 ATOM 8976 C CB . SER A 1 40 ? -3.052 -5.571 -22.660 1.00 0.00 ? 40 SER A CB 14 ATOM 8977 O OG . SER A 1 40 ? -4.217 -6.236 -22.204 1.00 0.00 ? 40 SER A OG 14 ATOM 8978 H H . SER A 1 40 ? -0.455 -6.017 -22.909 1.00 0.00 ? 40 SER A H 14 ATOM 8979 H HA . SER A 1 40 ? -2.142 -4.579 -20.996 1.00 0.00 ? 40 SER A HA 14 ATOM 8980 H HB2 . SER A 1 40 ? -3.320 -4.573 -22.972 1.00 0.00 ? 40 SER A HB2 14 ATOM 8981 H HB3 . SER A 1 40 ? -2.648 -6.115 -23.502 1.00 0.00 ? 40 SER A HB3 14 ATOM 8982 H HG . SER A 1 40 ? -4.060 -7.183 -22.186 1.00 0.00 ? 40 SER A HG 14 ATOM 8983 N N . TYR A 1 41 ? -2.369 -6.386 -19.335 1.00 0.00 ? 41 TYR A N 14 ATOM 8984 C CA . TYR A 1 41 ? -2.525 -7.428 -18.327 1.00 0.00 ? 41 TYR A CA 14 ATOM 8985 C C . TYR A 1 41 ? -3.908 -8.066 -18.413 1.00 0.00 ? 41 TYR A C 14 ATOM 8986 O O . TYR A 1 41 ? -4.837 -7.490 -18.981 1.00 0.00 ? 41 TYR A O 14 ATOM 8987 C CB . TYR A 1 41 ? -2.303 -6.852 -16.928 1.00 0.00 ? 41 TYR A CB 14 ATOM 8988 C CG . TYR A 1 41 ? -1.758 -7.857 -15.939 1.00 0.00 ? 41 TYR A CG 14 ATOM 8989 C CD1 . TYR A 1 41 ? -0.389 -8.046 -15.794 1.00 0.00 ? 41 TYR A CD1 14 ATOM 8990 C CD2 . TYR A 1 41 ? -2.612 -8.618 -15.149 1.00 0.00 ? 41 TYR A CD2 14 ATOM 8991 C CE1 . TYR A 1 41 ? 0.113 -8.964 -14.892 1.00 0.00 ? 41 TYR A CE1 14 ATOM 8992 C CE2 . TYR A 1 41 ? -2.118 -9.537 -14.244 1.00 0.00 ? 41 TYR A CE2 14 ATOM 8993 C CZ . TYR A 1 41 ? -0.755 -9.706 -14.119 1.00 0.00 ? 41 TYR A CZ 14 ATOM 8994 O OH . TYR A 1 41 ? -0.259 -10.622 -13.219 1.00 0.00 ? 41 TYR A OH 14 ATOM 8995 H H . TYR A 1 41 ? -2.433 -5.446 -19.063 1.00 0.00 ? 41 TYR A H 14 ATOM 8996 H HA . TYR A 1 41 ? -1.779 -8.186 -18.516 1.00 0.00 ? 41 TYR A HA 14 ATOM 8997 H HB2 . TYR A 1 41 ? -1.602 -6.034 -16.990 1.00 0.00 ? 41 TYR A HB2 14 ATOM 8998 H HB3 . TYR A 1 41 ? -3.244 -6.484 -16.544 1.00 0.00 ? 41 TYR A HB3 14 ATOM 8999 H HD1 . TYR A 1 41 ? 0.288 -7.463 -16.400 1.00 0.00 ? 41 TYR A HD1 14 ATOM 9000 H HD2 . TYR A 1 41 ? -3.679 -8.483 -15.250 1.00 0.00 ? 41 TYR A HD2 14 ATOM 9001 H HE1 . TYR A 1 41 ? 1.181 -9.097 -14.793 1.00 0.00 ? 41 TYR A HE1 14 ATOM 9002 H HE2 . TYR A 1 41 ? -2.798 -10.119 -13.639 1.00 0.00 ? 41 TYR A HE2 14 ATOM 9003 H HH . TYR A 1 41 ? -0.386 -10.293 -12.325 1.00 0.00 ? 41 TYR A HH 14 ATOM 9004 N N . HIS A 1 42 ? -4.038 -9.261 -17.845 1.00 0.00 ? 42 HIS A N 14 ATOM 9005 C CA . HIS A 1 42 ? -5.308 -9.979 -17.855 1.00 0.00 ? 42 HIS A CA 14 ATOM 9006 C C . HIS A 1 42 ? -6.089 -9.719 -16.571 1.00 0.00 ? 42 HIS A C 14 ATOM 9007 O O . HIS A 1 42 ? -6.749 -10.614 -16.041 1.00 0.00 ? 42 HIS A O 14 ATOM 9008 C CB . HIS A 1 42 ? -5.068 -11.479 -18.025 1.00 0.00 ? 42 HIS A CB 14 ATOM 9009 C CG . HIS A 1 42 ? -6.172 -12.184 -18.752 1.00 0.00 ? 42 HIS A CG 14 ATOM 9010 N ND1 . HIS A 1 42 ? -6.131 -12.456 -20.103 1.00 0.00 ? 42 HIS A ND1 14 ATOM 9011 C CD2 . HIS A 1 42 ? -7.352 -12.675 -18.306 1.00 0.00 ? 42 HIS A CD2 14 ATOM 9012 C CE1 . HIS A 1 42 ? -7.239 -13.082 -20.458 1.00 0.00 ? 42 HIS A CE1 14 ATOM 9013 N NE2 . HIS A 1 42 ? -7.996 -13.228 -19.386 1.00 0.00 ? 42 HIS A NE2 14 ATOM 9014 H H . HIS A 1 42 ? -3.261 -9.669 -17.408 1.00 0.00 ? 42 HIS A H 14 ATOM 9015 H HA . HIS A 1 42 ? -5.885 -9.619 -18.693 1.00 0.00 ? 42 HIS A HA 14 ATOM 9016 H HB2 . HIS A 1 42 ? -4.155 -11.631 -18.583 1.00 0.00 ? 42 HIS A HB2 14 ATOM 9017 H HB3 . HIS A 1 42 ? -4.968 -11.934 -17.050 1.00 0.00 ? 42 HIS A HB3 14 ATOM 9018 H HD1 . HIS A 1 42 ? -5.399 -12.222 -20.711 1.00 0.00 ? 42 HIS A HD1 14 ATOM 9019 H HD2 . HIS A 1 42 ? -7.720 -12.639 -17.291 1.00 0.00 ? 42 HIS A HD2 14 ATOM 9020 H HE1 . HIS A 1 42 ? -7.483 -13.418 -21.454 1.00 0.00 ? 42 HIS A HE1 14 ATOM 9021 N N . CYS A 1 43 ? -6.011 -8.488 -16.075 1.00 0.00 ? 43 CYS A N 14 ATOM 9022 C CA . CYS A 1 43 ? -6.709 -8.110 -14.853 1.00 0.00 ? 43 CYS A CA 14 ATOM 9023 C C . CYS A 1 43 ? -8.129 -7.643 -15.160 1.00 0.00 ? 43 CYS A C 14 ATOM 9024 O O . CYS A 1 43 ? -8.433 -7.360 -16.318 1.00 0.00 ? 43 CYS A O 14 ATOM 9025 C CB . CYS A 1 43 ? -5.943 -7.004 -14.125 1.00 0.00 ? 43 CYS A CB 14 ATOM 9026 S SG . CYS A 1 43 ? -6.394 -6.819 -12.369 1.00 0.00 ? 43 CYS A SG 14 ATOM 9027 H H . CYS A 1 43 ? -5.469 -7.818 -16.543 1.00 0.00 ? 43 CYS A H 14 ATOM 9028 H HA . CYS A 1 43 ? -6.759 -8.980 -14.217 1.00 0.00 ? 43 CYS A HA 14 ATOM 9029 H HB2 . CYS A 1 43 ? -4.885 -7.219 -14.170 1.00 0.00 ? 43 CYS A HB2 14 ATOM 9030 H HB3 . CYS A 1 43 ? -6.134 -6.061 -14.615 1.00 0.00 ? 43 CYS A HB3 14 HETATM 9031 C C1 . NAG B 2 . ? 5.438 19.192 -21.806 1.00 0.00 ? 101 NAG A C1 14 HETATM 9032 C C2 . NAG B 2 . ? 5.933 20.316 -20.894 1.00 0.00 ? 101 NAG A C2 14 HETATM 9033 C C3 . NAG B 2 . ? 6.132 21.587 -21.726 1.00 0.00 ? 101 NAG A C3 14 HETATM 9034 C C4 . NAG B 2 . ? 7.044 21.258 -22.914 1.00 0.00 ? 101 NAG A C4 14 HETATM 9035 C C5 . NAG B 2 . ? 6.464 20.062 -23.673 1.00 0.00 ? 101 NAG A C5 14 HETATM 9036 C C6 . NAG B 2 . ? 7.352 19.748 -24.879 1.00 0.00 ? 101 NAG A C6 14 HETATM 9037 C C7 . NAG B 2 . ? 5.015 19.901 -18.676 1.00 0.00 ? 101 NAG A C7 14 HETATM 9038 C C8 . NAG B 2 . ? 3.997 20.160 -17.596 1.00 0.00 ? 101 NAG A C8 14 HETATM 9039 N N2 . NAG B 2 . ? 4.944 20.568 -19.844 1.00 0.00 ? 101 NAG A N2 14 HETATM 9040 O O3 . NAG B 2 . ? 6.737 22.604 -20.926 1.00 0.00 ? 101 NAG A O3 14 HETATM 9041 O O4 . NAG B 2 . ? 7.123 22.385 -23.787 1.00 0.00 ? 101 NAG A O4 14 HETATM 9042 O O5 . NAG B 2 . ? 6.409 18.925 -22.815 1.00 0.00 ? 101 NAG A O5 14 HETATM 9043 O O6 . NAG B 2 . ? 6.810 18.636 -25.593 1.00 0.00 ? 101 NAG A O6 14 HETATM 9044 O O7 . NAG B 2 . ? 5.899 19.091 -18.493 1.00 0.00 ? 101 NAG A O7 14 HETATM 9045 H H1 . NAG B 2 . ? 4.495 19.500 -22.282 1.00 0.00 ? 101 NAG A H1 14 HETATM 9046 H H2 . NAG B 2 . ? 6.887 20.022 -20.430 1.00 0.00 ? 101 NAG A H2 14 HETATM 9047 H H3 . NAG B 2 . ? 5.158 21.951 -22.087 1.00 0.00 ? 101 NAG A H3 14 HETATM 9048 H H4 . NAG B 2 . ? 8.052 21.013 -22.548 1.00 0.00 ? 101 NAG A H4 14 HETATM 9049 H H5 . NAG B 2 . ? 5.448 20.307 -24.016 1.00 0.00 ? 101 NAG A H5 14 HETATM 9050 H H61 . NAG B 2 . ? 7.417 20.626 -25.539 1.00 0.00 ? 101 NAG A H61 14 HETATM 9051 H H62 . NAG B 2 . ? 8.376 19.520 -24.545 1.00 0.00 ? 101 NAG A H62 14 HETATM 9052 H H81 . NAG B 2 . ? 4.012 21.226 -17.326 1.00 0.00 ? 101 NAG A H81 14 HETATM 9053 H H82 . NAG B 2 . ? 2.996 19.889 -17.962 1.00 0.00 ? 101 NAG A H82 14 HETATM 9054 H H83 . NAG B 2 . ? 4.239 19.555 -16.710 1.00 0.00 ? 101 NAG A H83 14 HETATM 9055 H HN2 . NAG B 2 . ? 4.216 21.236 -19.995 1.00 0.00 ? 101 NAG A HN2 14 HETATM 9056 H HO3 . NAG B 2 . ? 6.865 23.429 -21.475 1.00 0.00 ? 101 NAG A HO3 14 HETATM 9057 H HO4 . NAG B 2 . ? 8.014 22.393 -24.242 1.00 0.00 ? 101 NAG A HO4 14 HETATM 9058 H HO6 . NAG B 2 . ? 6.410 17.987 -24.946 1.00 0.00 ? 101 NAG A HO6 14 HETATM 9059 C C1 . NAG C 2 . ? -7.128 -5.837 -10.806 1.00 0.00 ? 102 NAG A C1 14 HETATM 9060 C C2 . NAG C 2 . ? -7.268 -5.201 -9.423 1.00 0.00 ? 102 NAG A C2 14 HETATM 9061 C C3 . NAG C 2 . ? -8.753 -4.970 -9.124 1.00 0.00 ? 102 NAG A C3 14 HETATM 9062 C C4 . NAG C 2 . ? -9.366 -4.168 -10.278 1.00 0.00 ? 102 NAG A C4 14 HETATM 9063 C C5 . NAG C 2 . ? -9.067 -4.883 -11.597 1.00 0.00 ? 102 NAG A C5 14 HETATM 9064 C C6 . NAG C 2 . ? -9.704 -4.105 -12.751 1.00 0.00 ? 102 NAG A C6 14 HETATM 9065 C C7 . NAG C 2 . ? -5.399 -5.990 -8.074 1.00 0.00 ? 102 NAG A C7 14 HETATM 9066 C C8 . NAG C 2 . ? -4.813 -6.909 -7.034 1.00 0.00 ? 102 NAG A C8 14 HETATM 9067 N N2 . NAG C 2 . ? -6.699 -6.094 -8.412 1.00 0.00 ? 102 NAG A N2 14 HETATM 9068 O O3 . NAG C 2 . ? -8.897 -4.240 -7.905 1.00 0.00 ? 102 NAG A O3 14 HETATM 9069 O O4 . NAG C 2 . ? -10.780 -4.069 -10.098 1.00 0.00 ? 102 NAG A O4 14 HETATM 9070 O O5 . NAG C 2 . ? -7.658 -4.959 -11.797 1.00 0.00 ? 102 NAG A O5 14 HETATM 9071 O O6 . NAG C 2 . ? -9.432 -4.774 -13.984 1.00 0.00 ? 102 NAG A O6 14 HETATM 9072 O O7 . NAG C 2 . ? -4.699 -5.156 -8.608 1.00 0.00 ? 102 NAG A O7 14 HETATM 9073 H H1 . NAG C 2 . ? -7.684 -6.786 -10.828 1.00 0.00 ? 102 NAG A H1 14 HETATM 9074 H H2 . NAG C 2 . ? -6.731 -4.240 -9.401 1.00 0.00 ? 102 NAG A H2 14 HETATM 9075 H H3 . NAG C 2 . ? -9.266 -5.938 -9.021 1.00 0.00 ? 102 NAG A H3 14 HETATM 9076 H H4 . NAG C 2 . ? -8.934 -3.157 -10.296 1.00 0.00 ? 102 NAG A H4 14 HETATM 9077 H H5 . NAG C 2 . ? -9.484 -5.900 -11.563 1.00 0.00 ? 102 NAG A H5 14 HETATM 9078 H H61 . NAG C 2 . ? -10.791 -4.024 -12.598 1.00 0.00 ? 102 NAG A H61 14 HETATM 9079 H H62 . NAG C 2 . ? -9.305 -3.080 -12.781 1.00 0.00 ? 102 NAG A H62 14 HETATM 9080 H H81 . NAG C 2 . ? -5.623 -7.452 -6.526 1.00 0.00 ? 102 NAG A H81 14 HETATM 9081 H H82 . NAG C 2 . ? -4.139 -7.630 -7.520 1.00 0.00 ? 102 NAG A H82 14 HETATM 9082 H H83 . NAG C 2 . ? -4.248 -6.319 -6.298 1.00 0.00 ? 102 NAG A H83 14 HETATM 9083 H HN2 . NAG C 2 . ? -7.276 -6.782 -7.972 1.00 0.00 ? 102 NAG A HN2 14 HETATM 9084 H HO3 . NAG C 2 . ? -9.868 -4.091 -7.717 1.00 0.00 ? 102 NAG A HO3 14 HETATM 9085 H HO4 . NAG C 2 . ? -11.109 -3.214 -10.499 1.00 0.00 ? 102 NAG A HO4 14 HETATM 9086 H HO6 . NAG C 2 . ? -8.515 -5.173 -13.952 1.00 0.00 ? 102 NAG A HO6 14 ATOM 9087 N N . LYS A 1 1 ? 2.208 -1.786 -3.617 1.00 0.00 ? 1 LYS A N 15 ATOM 9088 C CA . LYS A 1 1 ? 2.645 -1.326 -4.930 1.00 0.00 ? 1 LYS A CA 15 ATOM 9089 C C . LYS A 1 1 ? 4.167 -1.277 -5.011 1.00 0.00 ? 1 LYS A C 15 ATOM 9090 O O . LYS A 1 1 ? 4.866 -1.247 -3.998 1.00 0.00 ? 1 LYS A O 15 ATOM 9091 C CB . LYS A 1 1 ? 2.062 0.057 -5.228 1.00 0.00 ? 1 LYS A CB 15 ATOM 9092 C CG . LYS A 1 1 ? 0.768 0.014 -6.022 1.00 0.00 ? 1 LYS A CG 15 ATOM 9093 C CD . LYS A 1 1 ? -0.141 1.180 -5.671 1.00 0.00 ? 1 LYS A CD 15 ATOM 9094 C CE . LYS A 1 1 ? -1.608 0.805 -5.811 1.00 0.00 ? 1 LYS A CE 15 ATOM 9095 N NZ . LYS A 1 1 ? -2.445 1.436 -4.754 1.00 0.00 ? 1 LYS A NZ 15 ATOM 9096 H H1 . LYS A 1 1 ? 2.432 -1.253 -2.825 1.00 0.00 ? 1 LYS A H1 15 ATOM 9097 H HA . LYS A 1 1 ? 2.280 -2.027 -5.665 1.00 0.00 ? 1 LYS A HA 15 ATOM 9098 H HB2 . LYS A 1 1 ? 1.870 0.563 -4.293 1.00 0.00 ? 1 LYS A HB2 15 ATOM 9099 H HB3 . LYS A 1 1 ? 2.787 0.626 -5.793 1.00 0.00 ? 1 LYS A HB3 15 ATOM 9100 H HG2 . LYS A 1 1 ? 1.001 0.057 -7.076 1.00 0.00 ? 1 LYS A HG2 15 ATOM 9101 H HG3 . LYS A 1 1 ? 0.253 -0.911 -5.803 1.00 0.00 ? 1 LYS A HG3 15 ATOM 9102 H HD2 . LYS A 1 1 ? 0.047 1.477 -4.650 1.00 0.00 ? 1 LYS A HD2 15 ATOM 9103 H HD3 . LYS A 1 1 ? 0.075 2.006 -6.334 1.00 0.00 ? 1 LYS A HD3 15 ATOM 9104 H HE2 . LYS A 1 1 ? -1.959 1.130 -6.778 1.00 0.00 ? 1 LYS A HE2 15 ATOM 9105 H HE3 . LYS A 1 1 ? -1.700 -0.269 -5.737 1.00 0.00 ? 1 LYS A HE3 15 ATOM 9106 H HZ1 . LYS A 1 1 ? -1.840 1.837 -4.010 1.00 0.00 ? 1 LYS A HZ1 15 ATOM 9107 H HZ2 . LYS A 1 1 ? -3.077 0.728 -4.328 1.00 0.00 ? 1 LYS A HZ2 15 ATOM 9108 H HZ3 . LYS A 1 1 ? -3.023 2.198 -5.163 1.00 0.00 ? 1 LYS A HZ3 15 ATOM 9109 N N . PRO A 1 2 ? 4.695 -1.266 -6.244 1.00 0.00 ? 2 PRO A N 15 ATOM 9110 C CA . PRO A 1 2 ? 6.140 -1.218 -6.486 1.00 0.00 ? 2 PRO A CA 15 ATOM 9111 C C . PRO A 1 2 ? 6.746 0.130 -6.108 1.00 0.00 ? 2 PRO A C 15 ATOM 9112 O O . PRO A 1 2 ? 6.097 0.955 -5.468 1.00 0.00 ? 2 PRO A O 15 ATOM 9113 C CB . PRO A 1 2 ? 6.255 -1.452 -7.994 1.00 0.00 ? 2 PRO A CB 15 ATOM 9114 C CG . PRO A 1 2 ? 4.951 -0.994 -8.549 1.00 0.00 ? 2 PRO A CG 15 ATOM 9115 C CD . PRO A 1 2 ? 3.922 -1.300 -7.497 1.00 0.00 ? 2 PRO A CD 15 ATOM 9116 H HA . PRO A 1 2 ? 6.657 -2.005 -5.957 1.00 0.00 ? 2 PRO A HA 15 ATOM 9117 H HB2 . PRO A 1 2 ? 7.079 -0.874 -8.389 1.00 0.00 ? 2 PRO A HB2 15 ATOM 9118 H HB3 . PRO A 1 2 ? 6.419 -2.502 -8.187 1.00 0.00 ? 2 PRO A HB3 15 ATOM 9119 H HG2 . PRO A 1 2 ? 4.987 0.068 -8.741 1.00 0.00 ? 2 PRO A HG2 15 ATOM 9120 H HG3 . PRO A 1 2 ? 4.729 -1.533 -9.458 1.00 0.00 ? 2 PRO A HG3 15 ATOM 9121 H HD2 . PRO A 1 2 ? 3.149 -0.546 -7.494 1.00 0.00 ? 2 PRO A HD2 15 ATOM 9122 H HD3 . PRO A 1 2 ? 3.496 -2.279 -7.660 1.00 0.00 ? 2 PRO A HD3 15 ATOM 9123 N N . ALA A 1 3 ? 7.995 0.345 -6.510 1.00 0.00 ? 3 ALA A N 15 ATOM 9124 C CA . ALA A 1 3 ? 8.687 1.593 -6.216 1.00 0.00 ? 3 ALA A CA 15 ATOM 9125 C C . ALA A 1 3 ? 8.442 2.628 -7.309 1.00 0.00 ? 3 ALA A C 15 ATOM 9126 O O . ALA A 1 3 ? 9.072 3.685 -7.328 1.00 0.00 ? 3 ALA A O 15 ATOM 9127 C CB . ALA A 1 3 ? 10.179 1.343 -6.049 1.00 0.00 ? 3 ALA A CB 15 ATOM 9128 H H . ALA A 1 3 ? 8.460 -0.352 -7.017 1.00 0.00 ? 3 ALA A H 15 ATOM 9129 H HA . ALA A 1 3 ? 8.304 1.975 -5.280 1.00 0.00 ? 3 ALA A HA 15 ATOM 9130 H HB1 . ALA A 1 3 ? 10.590 2.069 -5.363 1.00 0.00 ? 3 ALA A HB1 15 ATOM 9131 H HB2 . ALA A 1 3 ? 10.335 0.349 -5.658 1.00 0.00 ? 3 ALA A HB2 15 ATOM 9132 H HB3 . ALA A 1 3 ? 10.668 1.434 -7.007 1.00 0.00 ? 3 ALA A HB3 15 ATOM 9133 N N . TRP A 1 4 ? 7.524 2.316 -8.217 1.00 0.00 ? 4 TRP A N 15 ATOM 9134 C CA . TRP A 1 4 ? 7.197 3.219 -9.314 1.00 0.00 ? 4 TRP A CA 15 ATOM 9135 C C . TRP A 1 4 ? 5.872 3.930 -9.057 1.00 0.00 ? 4 TRP A C 15 ATOM 9136 O O . TRP A 1 4 ? 5.759 5.142 -9.247 1.00 0.00 ? 4 TRP A O 15 ATOM 9137 C CB . TRP A 1 4 ? 7.128 2.449 -10.633 1.00 0.00 ? 4 TRP A CB 15 ATOM 9138 C CG . TRP A 1 4 ? 7.824 1.122 -10.583 1.00 0.00 ? 4 TRP A CG 15 ATOM 9139 C CD1 . TRP A 1 4 ? 9.099 0.881 -10.156 1.00 0.00 ? 4 TRP A CD1 15 ATOM 9140 C CD2 . TRP A 1 4 ? 7.284 -0.144 -10.975 1.00 0.00 ? 4 TRP A CD2 15 ATOM 9141 N NE1 . TRP A 1 4 ? 9.384 -0.459 -10.260 1.00 0.00 ? 4 TRP A NE1 15 ATOM 9142 C CE2 . TRP A 1 4 ? 8.286 -1.110 -10.759 1.00 0.00 ? 4 TRP A CE2 15 ATOM 9143 C CE3 . TRP A 1 4 ? 6.051 -0.557 -11.487 1.00 0.00 ? 4 TRP A CE3 15 ATOM 9144 C CZ2 . TRP A 1 4 ? 8.092 -2.460 -11.038 1.00 0.00 ? 4 TRP A CZ2 15 ATOM 9145 C CZ3 . TRP A 1 4 ? 5.859 -1.897 -11.763 1.00 0.00 ? 4 TRP A CZ3 15 ATOM 9146 C CH2 . TRP A 1 4 ? 6.874 -2.836 -11.537 1.00 0.00 ? 4 TRP A CH2 15 ATOM 9147 H H . TRP A 1 4 ? 7.056 1.457 -8.148 1.00 0.00 ? 4 TRP A H 15 ATOM 9148 H HA . TRP A 1 4 ? 7.982 3.958 -9.379 1.00 0.00 ? 4 TRP A HA 15 ATOM 9149 H HB2 . TRP A 1 4 ? 6.094 2.273 -10.887 1.00 0.00 ? 4 TRP A HB2 15 ATOM 9150 H HB3 . TRP A 1 4 ? 7.591 3.040 -11.411 1.00 0.00 ? 4 TRP A HB3 15 ATOM 9151 H HD1 . TRP A 1 4 ? 9.773 1.642 -9.795 1.00 0.00 ? 4 TRP A HD1 15 ATOM 9152 H HE1 . TRP A 1 4 ? 10.234 -0.880 -10.014 1.00 0.00 ? 4 TRP A HE1 15 ATOM 9153 H HE3 . TRP A 1 4 ? 5.256 0.151 -11.667 1.00 0.00 ? 4 TRP A HE3 15 ATOM 9154 H HZ2 . TRP A 1 4 ? 8.864 -3.196 -10.869 1.00 0.00 ? 4 TRP A HZ2 15 ATOM 9155 H HZ3 . TRP A 1 4 ? 4.912 -2.235 -12.159 1.00 0.00 ? 4 TRP A HZ3 15 ATOM 9156 H HH2 . TRP A 1 4 ? 6.681 -3.872 -11.768 1.00 0.00 ? 4 TRP A HH2 15 ATOM 9157 N N . CYS A 1 5 ? 4.872 3.170 -8.623 1.00 0.00 ? 5 CYS A N 15 ATOM 9158 C CA . CYS A 1 5 ? 3.555 3.727 -8.340 1.00 0.00 ? 5 CYS A CA 15 ATOM 9159 C C . CYS A 1 5 ? 3.463 4.198 -6.891 1.00 0.00 ? 5 CYS A C 15 ATOM 9160 O O . CYS A 1 5 ? 4.469 4.262 -6.184 1.00 0.00 ? 5 CYS A O 15 ATOM 9161 C CB . CYS A 1 5 ? 2.468 2.688 -8.620 1.00 0.00 ? 5 CYS A CB 15 ATOM 9162 S SG . CYS A 1 5 ? 2.683 1.791 -10.191 1.00 0.00 ? 5 CYS A SG 15 ATOM 9163 H H . CYS A 1 5 ? 5.023 2.210 -8.491 1.00 0.00 ? 5 CYS A H 15 ATOM 9164 H HA . CYS A 1 5 ? 3.406 4.575 -8.991 1.00 0.00 ? 5 CYS A HA 15 ATOM 9165 H HB2 . CYS A 1 5 ? 2.465 1.957 -7.824 1.00 0.00 ? 5 CYS A HB2 15 ATOM 9166 H HB3 . CYS A 1 5 ? 1.508 3.181 -8.652 1.00 0.00 ? 5 CYS A HB3 15 ATOM 9167 N N . TRP A 1 6 ? 2.252 4.525 -6.457 1.00 0.00 ? 6 TRP A N 15 ATOM 9168 C CA . TRP A 1 6 ? 2.028 4.989 -5.093 1.00 0.00 ? 6 TRP A CA 15 ATOM 9169 C C . TRP A 1 6 ? 0.586 4.745 -4.664 1.00 0.00 ? 6 TRP A C 15 ATOM 9170 O O . TRP A 1 6 ? 0.331 4.195 -3.592 1.00 0.00 ? 6 TRP A O 15 ATOM 9171 C CB . TRP A 1 6 ? 2.363 6.477 -4.977 1.00 0.00 ? 6 TRP A CB 15 ATOM 9172 C CG . TRP A 1 6 ? 3.114 6.822 -3.727 1.00 0.00 ? 6 TRP A CG 15 ATOM 9173 C CD1 . TRP A 1 6 ? 4.454 7.057 -3.614 1.00 0.00 ? 6 TRP A CD1 15 ATOM 9174 C CD2 . TRP A 1 6 ? 2.567 6.968 -2.412 1.00 0.00 ? 6 TRP A CD2 15 ATOM 9175 N NE1 . TRP A 1 6 ? 4.774 7.340 -2.308 1.00 0.00 ? 6 TRP A NE1 15 ATOM 9176 C CE2 . TRP A 1 6 ? 3.633 7.293 -1.551 1.00 0.00 ? 6 TRP A CE2 15 ATOM 9177 C CE3 . TRP A 1 6 ? 1.280 6.859 -1.878 1.00 0.00 ? 6 TRP A CE3 15 ATOM 9178 C CZ2 . TRP A 1 6 ? 3.450 7.508 -0.188 1.00 0.00 ? 6 TRP A CZ2 15 ATOM 9179 C CZ3 . TRP A 1 6 ? 1.100 7.072 -0.525 1.00 0.00 ? 6 TRP A CZ3 15 ATOM 9180 C CH2 . TRP A 1 6 ? 2.180 7.394 0.308 1.00 0.00 ? 6 TRP A CH2 15 ATOM 9181 H H . TRP A 1 6 ? 1.489 4.452 -7.069 1.00 0.00 ? 6 TRP A H 15 ATOM 9182 H HA . TRP A 1 6 ? 2.685 4.430 -4.442 1.00 0.00 ? 6 TRP A HA 15 ATOM 9183 H HB2 . TRP A 1 6 ? 2.969 6.770 -5.821 1.00 0.00 ? 6 TRP A HB2 15 ATOM 9184 H HB3 . TRP A 1 6 ? 1.445 7.046 -4.983 1.00 0.00 ? 6 TRP A HB3 15 ATOM 9185 H HD1 . TRP A 1 6 ? 5.150 7.019 -4.439 1.00 0.00 ? 6 TRP A HD1 15 ATOM 9186 H HE1 . TRP A 1 6 ? 5.673 7.545 -1.974 1.00 0.00 ? 6 TRP A HE1 15 ATOM 9187 H HE3 . TRP A 1 6 ? 0.435 6.611 -2.504 1.00 0.00 ? 6 TRP A HE3 15 ATOM 9188 H HZ2 . TRP A 1 6 ? 4.272 7.758 0.467 1.00 0.00 ? 6 TRP A HZ2 15 ATOM 9189 H HZ3 . TRP A 1 6 ? 0.113 6.991 -0.094 1.00 0.00 ? 6 TRP A HZ3 15 ATOM 9190 H HH2 . TRP A 1 6 ? 1.993 7.551 1.359 1.00 0.00 ? 6 TRP A HH2 15 ATOM 9191 N N . TYR A 1 7 ? -0.355 5.156 -5.507 1.00 0.00 ? 7 TYR A N 15 ATOM 9192 C CA . TYR A 1 7 ? -1.773 4.984 -5.213 1.00 0.00 ? 7 TYR A CA 15 ATOM 9193 C C . TYR A 1 7 ? -2.625 5.300 -6.438 1.00 0.00 ? 7 TYR A C 15 ATOM 9194 O O . TYR A 1 7 ? -2.110 5.451 -7.546 1.00 0.00 ? 7 TYR A O 15 ATOM 9195 C CB . TYR A 1 7 ? -2.186 5.881 -4.045 1.00 0.00 ? 7 TYR A CB 15 ATOM 9196 C CG . TYR A 1 7 ? -3.116 5.206 -3.062 1.00 0.00 ? 7 TYR A CG 15 ATOM 9197 C CD1 . TYR A 1 7 ? -2.769 4.001 -2.464 1.00 0.00 ? 7 TYR A CD1 15 ATOM 9198 C CD2 . TYR A 1 7 ? -4.341 5.772 -2.734 1.00 0.00 ? 7 TYR A CD2 15 ATOM 9199 C CE1 . TYR A 1 7 ? -3.616 3.380 -1.566 1.00 0.00 ? 7 TYR A CE1 15 ATOM 9200 C CE2 . TYR A 1 7 ? -5.194 5.159 -1.836 1.00 0.00 ? 7 TYR A CE2 15 ATOM 9201 C CZ . TYR A 1 7 ? -4.827 3.963 -1.255 1.00 0.00 ? 7 TYR A CZ 15 ATOM 9202 O OH . TYR A 1 7 ? -5.674 3.348 -0.361 1.00 0.00 ? 7 TYR A OH 15 ATOM 9203 H H . TYR A 1 7 ? -0.090 5.588 -6.346 1.00 0.00 ? 7 TYR A H 15 ATOM 9204 H HA . TYR A 1 7 ? -1.931 3.952 -4.935 1.00 0.00 ? 7 TYR A HA 15 ATOM 9205 H HB2 . TYR A 1 7 ? -1.303 6.189 -3.507 1.00 0.00 ? 7 TYR A HB2 15 ATOM 9206 H HB3 . TYR A 1 7 ? -2.689 6.755 -4.432 1.00 0.00 ? 7 TYR A HB3 15 ATOM 9207 H HD1 . TYR A 1 7 ? -1.821 3.546 -2.709 1.00 0.00 ? 7 TYR A HD1 15 ATOM 9208 H HD2 . TYR A 1 7 ? -4.626 6.709 -3.191 1.00 0.00 ? 7 TYR A HD2 15 ATOM 9209 H HE1 . TYR A 1 7 ? -3.329 2.443 -1.111 1.00 0.00 ? 7 TYR A HE1 15 ATOM 9210 H HE2 . TYR A 1 7 ? -6.142 5.615 -1.593 1.00 0.00 ? 7 TYR A HE2 15 ATOM 9211 H HH . TYR A 1 7 ? -6.156 4.015 0.133 1.00 0.00 ? 7 TYR A HH 15 ATOM 9212 N N . THR A 1 8 ? -3.935 5.400 -6.230 1.00 0.00 ? 8 THR A N 15 ATOM 9213 C CA . THR A 1 8 ? -4.860 5.698 -7.315 1.00 0.00 ? 8 THR A CA 15 ATOM 9214 C C . THR A 1 8 ? -5.170 7.189 -7.381 1.00 0.00 ? 8 THR A C 15 ATOM 9215 O O . THR A 1 8 ? -6.201 7.597 -7.917 1.00 0.00 ? 8 THR A O 15 ATOM 9216 C CB . THR A 1 8 ? -6.179 4.918 -7.159 1.00 0.00 ? 8 THR A CB 15 ATOM 9217 O OG1 . THR A 1 8 ? -5.911 3.592 -6.687 1.00 0.00 ? 8 THR A OG1 15 ATOM 9218 C CG2 . THR A 1 8 ? -6.928 4.849 -8.481 1.00 0.00 ? 8 THR A CG2 15 ATOM 9219 H H . THR A 1 8 ? -4.285 5.269 -5.324 1.00 0.00 ? 8 THR A H 15 ATOM 9220 H HA . THR A 1 8 ? -4.396 5.395 -8.243 1.00 0.00 ? 8 THR A HA 15 ATOM 9221 H HB . THR A 1 8 ? -6.799 5.430 -6.437 1.00 0.00 ? 8 THR A HB 15 ATOM 9222 H HG1 . THR A 1 8 ? -6.154 3.527 -5.760 1.00 0.00 ? 8 THR A HG1 15 ATOM 9223 H HG21 . THR A 1 8 ? -6.341 5.327 -9.252 1.00 0.00 ? 8 THR A HG21 15 ATOM 9224 H HG22 . THR A 1 8 ? -7.876 5.356 -8.385 1.00 0.00 ? 8 THR A HG22 15 ATOM 9225 H HG23 . THR A 1 8 ? -7.097 3.816 -8.746 1.00 0.00 ? 8 THR A HG23 15 ATOM 9226 N N . LEU A 1 9 ? -4.271 7.999 -6.833 1.00 0.00 ? 9 LEU A N 15 ATOM 9227 C CA . LEU A 1 9 ? -4.448 9.447 -6.829 1.00 0.00 ? 9 LEU A CA 15 ATOM 9228 C C . LEU A 1 9 ? -4.563 9.985 -8.252 1.00 0.00 ? 9 LEU A C 15 ATOM 9229 O O . LEU A 1 9 ? -5.334 10.907 -8.518 1.00 0.00 ? 9 LEU A O 15 ATOM 9230 C CB . LEU A 1 9 ? -3.279 10.122 -6.109 1.00 0.00 ? 9 LEU A CB 15 ATOM 9231 C CG . LEU A 1 9 ? -3.310 10.067 -4.582 1.00 0.00 ? 9 LEU A CG 15 ATOM 9232 C CD1 . LEU A 1 9 ? -2.088 10.759 -3.998 1.00 0.00 ? 9 LEU A CD1 15 ATOM 9233 C CD2 . LEU A 1 9 ? -4.588 10.699 -4.051 1.00 0.00 ? 9 LEU A CD2 15 ATOM 9234 H H . LEU A 1 9 ? -3.469 7.616 -6.421 1.00 0.00 ? 9 LEU A H 15 ATOM 9235 H HA . LEU A 1 9 ? -5.363 9.668 -6.299 1.00 0.00 ? 9 LEU A HA 15 ATOM 9236 H HB2 . LEU A 1 9 ? -2.369 9.646 -6.439 1.00 0.00 ? 9 LEU A HB2 15 ATOM 9237 H HB3 . LEU A 1 9 ? -3.267 11.162 -6.404 1.00 0.00 ? 9 LEU A HB3 15 ATOM 9238 H HG . LEU A 1 9 ? -3.290 9.033 -4.265 1.00 0.00 ? 9 LEU A HG 15 ATOM 9239 H HD11 . LEU A 1 9 ? -2.062 11.785 -4.333 1.00 0.00 ? 9 LEU A HD11 15 ATOM 9240 H HD12 . LEU A 1 9 ? -1.195 10.250 -4.327 1.00 0.00 ? 9 LEU A HD12 15 ATOM 9241 H HD13 . LEU A 1 9 ? -2.141 10.733 -2.919 1.00 0.00 ? 9 LEU A HD13 15 ATOM 9242 H HD21 . LEU A 1 9 ? -5.431 10.075 -4.306 1.00 0.00 ? 9 LEU A HD21 15 ATOM 9243 H HD22 . LEU A 1 9 ? -4.716 11.676 -4.493 1.00 0.00 ? 9 LEU A HD22 15 ATOM 9244 H HD23 . LEU A 1 9 ? -4.523 10.796 -2.977 1.00 0.00 ? 9 LEU A HD23 15 ATOM 9245 N N . ALA A 1 10 ? -3.791 9.402 -9.164 1.00 0.00 ? 10 ALA A N 15 ATOM 9246 C CA . ALA A 1 10 ? -3.809 9.820 -10.560 1.00 0.00 ? 10 ALA A CA 15 ATOM 9247 C C . ALA A 1 10 ? -3.292 11.246 -10.713 1.00 0.00 ? 10 ALA A C 15 ATOM 9248 O O . ALA A 1 10 ? -4.031 12.144 -11.115 1.00 0.00 ? 10 ALA A O 15 ATOM 9249 C CB . ALA A 1 10 ? -5.216 9.703 -11.128 1.00 0.00 ? 10 ALA A CB 15 ATOM 9250 H H . ALA A 1 10 ? -3.197 8.673 -8.891 1.00 0.00 ? 10 ALA A H 15 ATOM 9251 H HA . ALA A 1 10 ? -3.166 9.153 -11.116 1.00 0.00 ? 10 ALA A HA 15 ATOM 9252 H HB1 . ALA A 1 10 ? -5.160 9.528 -12.192 1.00 0.00 ? 10 ALA A HB1 15 ATOM 9253 H HB2 . ALA A 1 10 ? -5.728 8.879 -10.653 1.00 0.00 ? 10 ALA A HB2 15 ATOM 9254 H HB3 . ALA A 1 10 ? -5.757 10.619 -10.941 1.00 0.00 ? 10 ALA A HB3 15 ATOM 9255 N N . MET A 1 11 ? -2.019 11.447 -10.389 1.00 0.00 ? 11 MET A N 15 ATOM 9256 C CA . MET A 1 11 ? -1.403 12.765 -10.492 1.00 0.00 ? 11 MET A CA 15 ATOM 9257 C C . MET A 1 11 ? -1.298 13.204 -11.949 1.00 0.00 ? 11 MET A C 15 ATOM 9258 O O . MET A 1 11 ? -1.959 14.153 -12.371 1.00 0.00 ? 11 MET A O 15 ATOM 9259 C CB . MET A 1 11 ? -0.015 12.754 -9.849 1.00 0.00 ? 11 MET A CB 15 ATOM 9260 C CG . MET A 1 11 ? -0.048 12.635 -8.334 1.00 0.00 ? 11 MET A CG 15 ATOM 9261 S SD . MET A 1 11 ? 1.592 12.405 -7.619 1.00 0.00 ? 11 MET A SD 15 ATOM 9262 C CE . MET A 1 11 ? 1.719 10.619 -7.631 1.00 0.00 ? 11 MET A CE 15 ATOM 9263 H H . MET A 1 11 ? -1.480 10.691 -10.075 1.00 0.00 ? 11 MET A H 15 ATOM 9264 H HA . MET A 1 11 ? -2.030 13.465 -9.961 1.00 0.00 ? 11 MET A HA 15 ATOM 9265 H HB2 . MET A 1 11 ? 0.545 11.918 -10.242 1.00 0.00 ? 11 MET A HB2 15 ATOM 9266 H HB3 . MET A 1 11 ? 0.495 13.670 -10.105 1.00 0.00 ? 11 MET A HB3 15 ATOM 9267 H HG2 . MET A 1 11 ? -0.479 13.536 -7.924 1.00 0.00 ? 11 MET A HG2 15 ATOM 9268 H HG3 . MET A 1 11 ? -0.664 11.790 -8.067 1.00 0.00 ? 11 MET A HG3 15 ATOM 9269 H HE1 . MET A 1 11 ? 0.955 10.208 -8.275 1.00 0.00 ? 11 MET A HE1 15 ATOM 9270 H HE2 . MET A 1 11 ? 2.692 10.329 -7.996 1.00 0.00 ? 11 MET A HE2 15 ATOM 9271 H HE3 . MET A 1 11 ? 1.584 10.242 -6.627 1.00 0.00 ? 11 MET A HE3 15 ATOM 9272 N N . CYS A 1 12 ? -0.463 12.508 -12.713 1.00 0.00 ? 12 CYS A N 15 ATOM 9273 C CA . CYS A 1 12 ? -0.271 12.826 -14.123 1.00 0.00 ? 12 CYS A CA 15 ATOM 9274 C C . CYS A 1 12 ? -1.610 12.906 -14.850 1.00 0.00 ? 12 CYS A C 15 ATOM 9275 O O . CYS A 1 12 ? -2.589 12.285 -14.440 1.00 0.00 ? 12 CYS A O 15 ATOM 9276 C CB . CYS A 1 12 ? 0.621 11.775 -14.788 1.00 0.00 ? 12 CYS A CB 15 ATOM 9277 S SG . CYS A 1 12 ? -0.204 10.177 -15.080 1.00 0.00 ? 12 CYS A SG 15 ATOM 9278 H H . CYS A 1 12 ? 0.036 11.761 -12.320 1.00 0.00 ? 12 CYS A H 15 ATOM 9279 H HA . CYS A 1 12 ? 0.215 13.788 -14.183 1.00 0.00 ? 12 CYS A HA 15 ATOM 9280 H HB2 . CYS A 1 12 ? 0.956 12.151 -15.744 1.00 0.00 ? 12 CYS A HB2 15 ATOM 9281 H HB3 . CYS A 1 12 ? 1.479 11.592 -14.158 1.00 0.00 ? 12 CYS A HB3 15 ATOM 9282 N N . GLY A 1 13 ? -1.644 13.676 -15.934 1.00 0.00 ? 13 GLY A N 15 ATOM 9283 C CA . GLY A 1 13 ? -2.867 13.823 -16.701 1.00 0.00 ? 13 GLY A CA 15 ATOM 9284 C C . GLY A 1 13 ? -3.675 15.034 -16.278 1.00 0.00 ? 13 GLY A C 15 ATOM 9285 O O . GLY A 1 13 ? -4.448 15.579 -17.065 1.00 0.00 ? 13 GLY A O 15 ATOM 9286 H H . GLY A 1 13 ? -0.832 14.148 -16.214 1.00 0.00 ? 13 GLY A H 15 ATOM 9287 H HA2 . GLY A 1 13 ? -2.613 13.920 -17.746 1.00 0.00 ? 13 GLY A HA2 15 ATOM 9288 H HA3 . GLY A 1 13 ? -3.471 12.938 -16.568 1.00 0.00 ? 13 GLY A HA3 15 ATOM 9289 N N . ALA A 1 14 ? -3.497 15.455 -15.030 1.00 0.00 ? 14 ALA A N 15 ATOM 9290 C CA . ALA A 1 14 ? -4.215 16.609 -14.504 1.00 0.00 ? 14 ALA A CA 15 ATOM 9291 C C . ALA A 1 14 ? -3.301 17.826 -14.404 1.00 0.00 ? 14 ALA A C 15 ATOM 9292 O O . ALA A 1 14 ? -3.556 18.743 -13.625 1.00 0.00 ? 14 ALA A O 15 ATOM 9293 C CB . ALA A 1 14 ? -4.813 16.283 -13.143 1.00 0.00 ? 14 ALA A CB 15 ATOM 9294 H H . ALA A 1 14 ? -2.866 14.979 -14.450 1.00 0.00 ? 14 ALA A H 15 ATOM 9295 H HA . ALA A 1 14 ? -5.026 16.835 -15.181 1.00 0.00 ? 14 ALA A HA 15 ATOM 9296 H HB1 . ALA A 1 14 ? -5.529 15.481 -13.248 1.00 0.00 ? 14 ALA A HB1 15 ATOM 9297 H HB2 . ALA A 1 14 ? -4.027 15.978 -12.469 1.00 0.00 ? 14 ALA A HB2 15 ATOM 9298 H HB3 . ALA A 1 14 ? -5.307 17.158 -12.748 1.00 0.00 ? 14 ALA A HB3 15 ATOM 9299 N N . GLY A 1 15 ? -2.235 17.826 -15.199 1.00 0.00 ? 15 GLY A N 15 ATOM 9300 C CA . GLY A 1 15 ? -1.299 18.935 -15.184 1.00 0.00 ? 15 GLY A CA 15 ATOM 9301 C C . GLY A 1 15 ? 0.003 18.585 -14.492 1.00 0.00 ? 15 GLY A C 15 ATOM 9302 O O . GLY A 1 15 ? 1.015 19.262 -14.680 1.00 0.00 ? 15 GLY A O 15 ATOM 9303 H H . GLY A 1 15 ? -2.083 17.067 -15.800 1.00 0.00 ? 15 GLY A H 15 ATOM 9304 H HA2 . GLY A 1 15 ? -1.088 19.227 -16.202 1.00 0.00 ? 15 GLY A HA2 15 ATOM 9305 H HA3 . GLY A 1 15 ? -1.754 19.768 -14.668 1.00 0.00 ? 15 GLY A HA3 15 ATOM 9306 N N . TYR A 1 16 ? -0.020 17.527 -13.690 1.00 0.00 ? 16 TYR A N 15 ATOM 9307 C CA . TYR A 1 16 ? 1.167 17.091 -12.965 1.00 0.00 ? 16 TYR A CA 15 ATOM 9308 C C . TYR A 1 16 ? 2.304 16.765 -13.928 1.00 0.00 ? 16 TYR A C 15 ATOM 9309 O O . TYR A 1 16 ? 3.477 16.972 -13.614 1.00 0.00 ? 16 TYR A O 15 ATOM 9310 C CB . TYR A 1 16 ? 0.845 15.867 -12.105 1.00 0.00 ? 16 TYR A CB 15 ATOM 9311 C CG . TYR A 1 16 ? 0.516 16.206 -10.669 1.00 0.00 ? 16 TYR A CG 15 ATOM 9312 C CD1 . TYR A 1 16 ? -0.760 16.617 -10.306 1.00 0.00 ? 16 TYR A CD1 15 ATOM 9313 C CD2 . TYR A 1 16 ? 1.482 16.113 -9.675 1.00 0.00 ? 16 TYR A CD2 15 ATOM 9314 C CE1 . TYR A 1 16 ? -1.065 16.928 -8.995 1.00 0.00 ? 16 TYR A CE1 15 ATOM 9315 C CE2 . TYR A 1 16 ? 1.186 16.421 -8.361 1.00 0.00 ? 16 TYR A CE2 15 ATOM 9316 C CZ . TYR A 1 16 ? -0.088 16.828 -8.026 1.00 0.00 ? 16 TYR A CZ 15 ATOM 9317 O OH . TYR A 1 16 ? -0.388 17.135 -6.718 1.00 0.00 ? 16 TYR A OH 15 ATOM 9318 H H . TYR A 1 16 ? -0.857 17.028 -13.581 1.00 0.00 ? 16 TYR A H 15 ATOM 9319 H HA . TYR A 1 16 ? 1.477 17.900 -12.320 1.00 0.00 ? 16 TYR A HA 15 ATOM 9320 H HB2 . TYR A 1 16 ? -0.005 15.354 -12.527 1.00 0.00 ? 16 TYR A HB2 15 ATOM 9321 H HB3 . TYR A 1 16 ? 1.696 15.203 -12.104 1.00 0.00 ? 16 TYR A HB3 15 ATOM 9322 H HD1 . TYR A 1 16 ? -1.523 16.694 -11.067 1.00 0.00 ? 16 TYR A HD1 15 ATOM 9323 H HD2 . TYR A 1 16 ? 2.480 15.794 -9.940 1.00 0.00 ? 16 TYR A HD2 15 ATOM 9324 H HE1 . TYR A 1 16 ? -2.063 17.246 -8.732 1.00 0.00 ? 16 TYR A HE1 15 ATOM 9325 H HE2 . TYR A 1 16 ? 1.951 16.343 -7.601 1.00 0.00 ? 16 TYR A HE2 15 ATOM 9326 H HH . TYR A 1 16 ? 0.344 17.619 -6.328 1.00 0.00 ? 16 TYR A HH 15 ATOM 9327 N N . ASP A 1 17 ? 1.949 16.255 -15.101 1.00 0.00 ? 17 ASP A N 15 ATOM 9328 C CA . ASP A 1 17 ? 2.938 15.901 -16.113 1.00 0.00 ? 17 ASP A CA 15 ATOM 9329 C C . ASP A 1 17 ? 2.726 16.711 -17.388 1.00 0.00 ? 17 ASP A C 15 ATOM 9330 O O . ASP A 1 17 ? 1.881 17.605 -17.433 1.00 0.00 ? 17 ASP A O 15 ATOM 9331 C CB . ASP A 1 17 ? 2.866 14.405 -16.426 1.00 0.00 ? 17 ASP A CB 15 ATOM 9332 C CG . ASP A 1 17 ? 3.227 13.546 -15.230 1.00 0.00 ? 17 ASP A CG 15 ATOM 9333 O OD1 . ASP A 1 17 ? 2.639 13.758 -14.149 1.00 0.00 ? 17 ASP A OD1 15 ATOM 9334 O OD2 . ASP A 1 17 ? 4.097 12.661 -15.375 1.00 0.00 ? 17 ASP A OD2 15 ATOM 9335 H H . ASP A 1 17 ? 0.998 16.113 -15.293 1.00 0.00 ? 17 ASP A H 15 ATOM 9336 H HA . ASP A 1 17 ? 3.915 16.129 -15.715 1.00 0.00 ? 17 ASP A HA 15 ATOM 9337 H HB2 . ASP A 1 17 ? 1.862 14.157 -16.735 1.00 0.00 ? 17 ASP A HB2 15 ATOM 9338 H HB3 . ASP A 1 17 ? 3.552 14.179 -17.229 1.00 0.00 ? 17 ASP A HB3 15 ATOM 9339 N N . SER A 1 18 ? 3.498 16.392 -18.421 1.00 0.00 ? 18 SER A N 15 ATOM 9340 C CA . SER A 1 18 ? 3.398 17.093 -19.696 1.00 0.00 ? 18 SER A CA 15 ATOM 9341 C C . SER A 1 18 ? 2.302 16.485 -20.566 1.00 0.00 ? 18 SER A C 15 ATOM 9342 O O . SER A 1 18 ? 2.653 15.522 -21.246 1.00 0.00 ? 18 SER A O 15 ATOM 9343 C CB . SER A 1 18 ? 4.737 17.046 -20.435 1.00 0.00 ? 18 SER A CB 15 ATOM 9344 O OG . SER A 1 18 ? 5.482 18.232 -20.217 1.00 0.00 ? 18 SER A OG 15 ATOM 9345 H H . SER A 1 18 ? 4.153 15.669 -18.323 1.00 0.00 ? 18 SER A H 15 ATOM 9346 H HA . SER A 1 18 ? 3.147 18.123 -19.489 1.00 0.00 ? 18 SER A HA 15 ATOM 9347 H HB2 . SER A 1 18 ? 5.312 16.204 -20.080 1.00 0.00 ? 18 SER A HB2 15 ATOM 9348 H HB3 . SER A 1 18 ? 4.556 16.938 -21.494 1.00 0.00 ? 18 SER A HB3 15 ATOM 9349 N N . GLY A 1 19 ? 1.150 16.457 -19.858 1.00 0.00 ? 19 GLY A N 15 ATOM 9350 C CA . GLY A 1 19 ? 0.252 15.319 -19.923 1.00 0.00 ? 19 GLY A CA 15 ATOM 9351 C C . GLY A 1 19 ? 0.939 14.066 -20.430 1.00 0.00 ? 19 GLY A C 15 ATOM 9352 O O . GLY A 1 19 ? 0.795 13.698 -21.597 1.00 0.00 ? 19 GLY A O 15 ATOM 9353 H H . GLY A 1 19 ? 0.915 17.234 -19.308 1.00 0.00 ? 19 GLY A H 15 ATOM 9354 H HA2 . GLY A 1 19 ? -0.141 15.127 -18.936 1.00 0.00 ? 19 GLY A HA2 15 ATOM 9355 H HA3 . GLY A 1 19 ? -0.567 15.559 -20.585 1.00 0.00 ? 19 GLY A HA3 15 ATOM 9356 N N . THR A 1 20 ? 1.691 13.409 -19.553 1.00 0.00 ? 20 THR A N 15 ATOM 9357 C CA . THR A 1 20 ? 2.405 12.192 -19.919 1.00 0.00 ? 20 THR A CA 15 ATOM 9358 C C . THR A 1 20 ? 2.646 11.308 -18.700 1.00 0.00 ? 20 THR A C 15 ATOM 9359 O O . THR A 1 20 ? 3.012 11.795 -17.630 1.00 0.00 ? 20 THR A O 15 ATOM 9360 C CB . THR A 1 20 ? 3.758 12.513 -20.581 1.00 0.00 ? 20 THR A CB 15 ATOM 9361 O OG1 . THR A 1 20 ? 4.508 11.308 -20.773 1.00 0.00 ? 20 THR A OG1 15 ATOM 9362 C CG2 . THR A 1 20 ? 4.561 13.485 -19.730 1.00 0.00 ? 20 THR A CG2 15 ATOM 9363 H H . THR A 1 20 ? 1.767 13.752 -18.638 1.00 0.00 ? 20 THR A H 15 ATOM 9364 H HA . THR A 1 20 ? 1.799 11.651 -20.630 1.00 0.00 ? 20 THR A HA 15 ATOM 9365 H HB . THR A 1 20 ? 3.572 12.969 -21.543 1.00 0.00 ? 20 THR A HB 15 ATOM 9366 H HG1 . THR A 1 20 ? 5.025 11.124 -19.985 1.00 0.00 ? 20 THR A HG1 15 ATOM 9367 H HG21 . THR A 1 20 ? 4.488 13.199 -18.692 1.00 0.00 ? 20 THR A HG21 15 ATOM 9368 H HG22 . THR A 1 20 ? 4.168 14.483 -19.856 1.00 0.00 ? 20 THR A HG22 15 ATOM 9369 H HG23 . THR A 1 20 ? 5.596 13.464 -20.038 1.00 0.00 ? 20 THR A HG23 15 ATOM 9370 N N . CYS A 1 21 ? 2.438 10.007 -18.869 1.00 0.00 ? 21 CYS A N 15 ATOM 9371 C CA . CYS A 1 21 ? 2.633 9.054 -17.783 1.00 0.00 ? 21 CYS A CA 15 ATOM 9372 C C . CYS A 1 21 ? 3.502 7.884 -18.235 1.00 0.00 ? 21 CYS A C 15 ATOM 9373 O O . CYS A 1 21 ? 4.067 7.903 -19.329 1.00 0.00 ? 21 CYS A O 15 ATOM 9374 C CB . CYS A 1 21 ? 1.283 8.537 -17.283 1.00 0.00 ? 21 CYS A CB 15 ATOM 9375 S SG . CYS A 1 21 ? 0.036 9.840 -17.025 1.00 0.00 ? 21 CYS A SG 15 ATOM 9376 H H . CYS A 1 21 ? 2.147 9.679 -19.746 1.00 0.00 ? 21 CYS A H 15 ATOM 9377 H HA . CYS A 1 21 ? 3.133 9.567 -16.976 1.00 0.00 ? 21 CYS A HA 15 ATOM 9378 H HB2 . CYS A 1 21 ? 0.883 7.839 -18.004 1.00 0.00 ? 21 CYS A HB2 15 ATOM 9379 H HB3 . CYS A 1 21 ? 1.427 8.029 -16.341 1.00 0.00 ? 21 CYS A HB3 15 ATOM 9380 N N . ASP A 1 22 ? 3.604 6.868 -17.386 1.00 0.00 ? 22 ASP A N 15 ATOM 9381 C CA . ASP A 1 22 ? 4.403 5.688 -17.698 1.00 0.00 ? 22 ASP A CA 15 ATOM 9382 C C . ASP A 1 22 ? 3.913 4.476 -16.911 1.00 0.00 ? 22 ASP A C 15 ATOM 9383 O O . ASP A 1 22 ? 3.244 3.599 -17.457 1.00 0.00 ? 22 ASP A O 15 ATOM 9384 C CB . ASP A 1 22 ? 5.879 5.949 -17.390 1.00 0.00 ? 22 ASP A CB 15 ATOM 9385 C CG . ASP A 1 22 ? 6.714 6.104 -18.645 1.00 0.00 ? 22 ASP A CG 15 ATOM 9386 O OD1 . ASP A 1 22 ? 6.734 5.162 -19.465 1.00 0.00 ? 22 ASP A OD1 15 ATOM 9387 O OD2 . ASP A 1 22 ? 7.347 7.168 -18.809 1.00 0.00 ? 22 ASP A OD2 15 ATOM 9388 H H . ASP A 1 22 ? 3.131 6.911 -16.529 1.00 0.00 ? 22 ASP A H 15 ATOM 9389 H HA . ASP A 1 22 ? 4.296 5.484 -18.752 1.00 0.00 ? 22 ASP A HA 15 ATOM 9390 H HB2 . ASP A 1 22 ? 5.964 6.857 -16.809 1.00 0.00 ? 22 ASP A HB2 15 ATOM 9391 H HB3 . ASP A 1 22 ? 6.272 5.122 -16.817 1.00 0.00 ? 22 ASP A HB3 15 ATOM 9392 N N . TYR A 1 23 ? 4.252 4.434 -15.628 1.00 0.00 ? 23 TYR A N 15 ATOM 9393 C CA . TYR A 1 23 ? 3.850 3.328 -14.767 1.00 0.00 ? 23 TYR A CA 15 ATOM 9394 C C . TYR A 1 23 ? 2.333 3.289 -14.604 1.00 0.00 ? 23 TYR A C 15 ATOM 9395 O O . TYR A 1 23 ? 1.754 2.236 -14.337 1.00 0.00 ? 23 TYR A O 15 ATOM 9396 C CB . TYR A 1 23 ? 4.518 3.452 -13.397 1.00 0.00 ? 23 TYR A CB 15 ATOM 9397 C CG . TYR A 1 23 ? 5.986 3.808 -13.468 1.00 0.00 ? 23 TYR A CG 15 ATOM 9398 C CD1 . TYR A 1 23 ? 6.876 3.023 -14.192 1.00 0.00 ? 23 TYR A CD1 15 ATOM 9399 C CD2 . TYR A 1 23 ? 6.482 4.927 -12.813 1.00 0.00 ? 23 TYR A CD2 15 ATOM 9400 C CE1 . TYR A 1 23 ? 8.218 3.344 -14.260 1.00 0.00 ? 23 TYR A CE1 15 ATOM 9401 C CE2 . TYR A 1 23 ? 7.822 5.256 -12.876 1.00 0.00 ? 23 TYR A CE2 15 ATOM 9402 C CZ . TYR A 1 23 ? 8.686 4.462 -13.601 1.00 0.00 ? 23 TYR A CZ 15 ATOM 9403 O OH . TYR A 1 23 ? 10.022 4.785 -13.665 1.00 0.00 ? 23 TYR A OH 15 ATOM 9404 H H . TYR A 1 23 ? 4.787 5.163 -15.250 1.00 0.00 ? 23 TYR A H 15 ATOM 9405 H HA . TYR A 1 23 ? 4.175 2.410 -15.233 1.00 0.00 ? 23 TYR A HA 15 ATOM 9406 H HB2 . TYR A 1 23 ? 4.018 4.221 -12.828 1.00 0.00 ? 23 TYR A HB2 15 ATOM 9407 H HB3 . TYR A 1 23 ? 4.430 2.510 -12.875 1.00 0.00 ? 23 TYR A HB3 15 ATOM 9408 H HD1 . TYR A 1 23 ? 6.506 2.149 -14.707 1.00 0.00 ? 23 TYR A HD1 15 ATOM 9409 H HD2 . TYR A 1 23 ? 5.803 5.547 -12.246 1.00 0.00 ? 23 TYR A HD2 15 ATOM 9410 H HE1 . TYR A 1 23 ? 8.895 2.722 -14.827 1.00 0.00 ? 23 TYR A HE1 15 ATOM 9411 H HE2 . TYR A 1 23 ? 8.189 6.131 -12.360 1.00 0.00 ? 23 TYR A HE2 15 ATOM 9412 H HH . TYR A 1 23 ? 10.241 5.384 -12.947 1.00 0.00 ? 23 TYR A HH 15 ATOM 9413 N N . MET A 1 24 ? 1.697 4.444 -14.768 1.00 0.00 ? 24 MET A N 15 ATOM 9414 C CA . MET A 1 24 ? 0.247 4.542 -14.642 1.00 0.00 ? 24 MET A CA 15 ATOM 9415 C C . MET A 1 24 ? -0.450 3.705 -15.710 1.00 0.00 ? 24 MET A C 15 ATOM 9416 O O . MET A 1 24 ? -1.417 2.998 -15.425 1.00 0.00 ? 24 MET A O 15 ATOM 9417 C CB . MET A 1 24 ? -0.198 6.001 -14.750 1.00 0.00 ? 24 MET A CB 15 ATOM 9418 C CG . MET A 1 24 ? 0.140 6.833 -13.523 1.00 0.00 ? 24 MET A CG 15 ATOM 9419 S SD . MET A 1 24 ? 1.784 7.568 -13.614 1.00 0.00 ? 24 MET A SD 15 ATOM 9420 C CE . MET A 1 24 ? 2.678 6.545 -12.446 1.00 0.00 ? 24 MET A CE 15 ATOM 9421 H H . MET A 1 24 ? 2.213 5.249 -14.980 1.00 0.00 ? 24 MET A H 15 ATOM 9422 H HA . MET A 1 24 ? -0.026 4.163 -13.668 1.00 0.00 ? 24 MET A HA 15 ATOM 9423 H HB2 . MET A 1 24 ? 0.284 6.450 -15.606 1.00 0.00 ? 24 MET A HB2 15 ATOM 9424 H HB3 . MET A 1 24 ? -1.268 6.030 -14.893 1.00 0.00 ? 24 MET A HB3 15 ATOM 9425 H HG2 . MET A 1 24 ? -0.587 7.625 -13.429 1.00 0.00 ? 24 MET A HG2 15 ATOM 9426 H HG3 . MET A 1 24 ? 0.092 6.197 -12.651 1.00 0.00 ? 24 MET A HG3 15 ATOM 9427 H HE1 . MET A 1 24 ? 2.471 5.504 -12.649 1.00 0.00 ? 24 MET A HE1 15 ATOM 9428 H HE2 . MET A 1 24 ? 3.737 6.728 -12.544 1.00 0.00 ? 24 MET A HE2 15 ATOM 9429 H HE3 . MET A 1 24 ? 2.362 6.786 -11.442 1.00 0.00 ? 24 MET A HE3 15 ATOM 9430 N N . TYR A 1 25 ? 0.047 3.790 -16.939 1.00 0.00 ? 25 TYR A N 15 ATOM 9431 C CA . TYR A 1 25 ? -0.530 3.042 -18.049 1.00 0.00 ? 25 TYR A CA 15 ATOM 9432 C C . TYR A 1 25 ? -0.315 1.543 -17.867 1.00 0.00 ? 25 TYR A C 15 ATOM 9433 O O . TYR A 1 25 ? -0.886 0.729 -18.594 1.00 0.00 ? 25 TYR A O 15 ATOM 9434 C CB . TYR A 1 25 ? 0.084 3.500 -19.373 1.00 0.00 ? 25 TYR A CB 15 ATOM 9435 C CG . TYR A 1 25 ? -0.500 4.791 -19.898 1.00 0.00 ? 25 TYR A CG 15 ATOM 9436 C CD1 . TYR A 1 25 ? -0.502 5.943 -19.120 1.00 0.00 ? 25 TYR A CD1 15 ATOM 9437 C CD2 . TYR A 1 25 ? -1.050 4.861 -21.172 1.00 0.00 ? 25 TYR A CD2 15 ATOM 9438 C CE1 . TYR A 1 25 ? -1.035 7.125 -19.595 1.00 0.00 ? 25 TYR A CE1 15 ATOM 9439 C CE2 . TYR A 1 25 ? -1.585 6.039 -21.656 1.00 0.00 ? 25 TYR A CE2 15 ATOM 9440 C CZ . TYR A 1 25 ? -1.576 7.168 -20.864 1.00 0.00 ? 25 TYR A CZ 15 ATOM 9441 O OH . TYR A 1 25 ? -2.107 8.344 -21.341 1.00 0.00 ? 25 TYR A OH 15 ATOM 9442 H H . TYR A 1 25 ? 0.819 4.370 -17.104 1.00 0.00 ? 25 TYR A H 15 ATOM 9443 H HA . TYR A 1 25 ? -1.591 3.242 -18.068 1.00 0.00 ? 25 TYR A HA 15 ATOM 9444 H HB2 . TYR A 1 25 ? 1.145 3.647 -19.238 1.00 0.00 ? 25 TYR A HB2 15 ATOM 9445 H HB3 . TYR A 1 25 ? -0.076 2.735 -20.120 1.00 0.00 ? 25 TYR A HB3 15 ATOM 9446 H HD1 . TYR A 1 25 ? -0.077 5.905 -18.127 1.00 0.00 ? 25 TYR A HD1 15 ATOM 9447 H HD2 . TYR A 1 25 ? -1.056 3.975 -21.790 1.00 0.00 ? 25 TYR A HD2 15 ATOM 9448 H HE1 . TYR A 1 25 ? -1.028 8.009 -18.976 1.00 0.00 ? 25 TYR A HE1 15 ATOM 9449 H HE2 . TYR A 1 25 ? -2.008 6.074 -22.649 1.00 0.00 ? 25 TYR A HE2 15 ATOM 9450 H HH . TYR A 1 25 ? -1.460 8.785 -21.897 1.00 0.00 ? 25 TYR A HH 15 ATOM 9451 N N . SER A 1 26 ? 0.513 1.185 -16.891 1.00 0.00 ? 26 SER A N 15 ATOM 9452 C CA . SER A 1 26 ? 0.807 -0.216 -16.614 1.00 0.00 ? 26 SER A CA 15 ATOM 9453 C C . SER A 1 26 ? -0.236 -0.815 -15.675 1.00 0.00 ? 26 SER A C 15 ATOM 9454 O O . SER A 1 26 ? 0.061 -1.718 -14.892 1.00 0.00 ? 26 SER A O 15 ATOM 9455 C CB . SER A 1 26 ? 2.201 -0.355 -15.999 1.00 0.00 ? 26 SER A CB 15 ATOM 9456 O OG . SER A 1 26 ? 2.696 -1.674 -16.149 1.00 0.00 ? 26 SER A OG 15 ATOM 9457 H H . SER A 1 26 ? 0.938 1.880 -16.346 1.00 0.00 ? 26 SER A H 15 ATOM 9458 H HA . SER A 1 26 ? 0.781 -0.752 -17.551 1.00 0.00 ? 26 SER A HA 15 ATOM 9459 H HB2 . SER A 1 26 ? 2.878 0.328 -16.490 1.00 0.00 ? 26 SER A HB2 15 ATOM 9460 H HB3 . SER A 1 26 ? 2.152 -0.118 -14.946 1.00 0.00 ? 26 SER A HB3 15 ATOM 9461 H HG . SER A 1 26 ? 2.094 -2.292 -15.727 1.00 0.00 ? 26 SER A HG 15 ATOM 9462 N N . HIS A 1 27 ? -1.461 -0.306 -15.760 1.00 0.00 ? 27 HIS A N 15 ATOM 9463 C CA . HIS A 1 27 ? -2.550 -0.790 -14.920 1.00 0.00 ? 27 HIS A CA 15 ATOM 9464 C C . HIS A 1 27 ? -2.175 -0.708 -13.443 1.00 0.00 ? 27 HIS A C 15 ATOM 9465 O O . HIS A 1 27 ? -2.287 -1.690 -12.708 1.00 0.00 ? 27 HIS A O 15 ATOM 9466 C CB . HIS A 1 27 ? -2.906 -2.230 -15.289 1.00 0.00 ? 27 HIS A CB 15 ATOM 9467 C CG . HIS A 1 27 ? -4.242 -2.669 -14.772 1.00 0.00 ? 27 HIS A CG 15 ATOM 9468 N ND1 . HIS A 1 27 ? -4.697 -3.967 -14.867 1.00 0.00 ? 27 HIS A ND1 15 ATOM 9469 C CD2 . HIS A 1 27 ? -5.223 -1.973 -14.151 1.00 0.00 ? 27 HIS A CD2 15 ATOM 9470 C CE1 . HIS A 1 27 ? -5.900 -4.050 -14.328 1.00 0.00 ? 27 HIS A CE1 15 ATOM 9471 N NE2 . HIS A 1 27 ? -6.242 -2.854 -13.886 1.00 0.00 ? 27 HIS A NE2 15 ATOM 9472 H H . HIS A 1 27 ? -1.637 0.412 -16.404 1.00 0.00 ? 27 HIS A H 15 ATOM 9473 H HA . HIS A 1 27 ? -3.409 -0.160 -15.095 1.00 0.00 ? 27 HIS A HA 15 ATOM 9474 H HB2 . HIS A 1 27 ? -2.919 -2.327 -16.364 1.00 0.00 ? 27 HIS A HB2 15 ATOM 9475 H HB3 . HIS A 1 27 ? -2.158 -2.895 -14.882 1.00 0.00 ? 27 HIS A HB3 15 ATOM 9476 H HD1 . HIS A 1 27 ? -4.211 -4.715 -15.271 1.00 0.00 ? 27 HIS A HD1 15 ATOM 9477 H HD2 . HIS A 1 27 ? -5.207 -0.919 -13.908 1.00 0.00 ? 27 HIS A HD2 15 ATOM 9478 H HE1 . HIS A 1 27 ? -6.502 -4.944 -14.260 1.00 0.00 ? 27 HIS A HE1 15 ATOM 9479 N N . CYS A 1 28 ? -1.727 0.467 -13.015 1.00 0.00 ? 28 CYS A N 15 ATOM 9480 C CA . CYS A 1 28 ? -1.333 0.677 -11.628 1.00 0.00 ? 28 CYS A CA 15 ATOM 9481 C C . CYS A 1 28 ? -2.230 1.716 -10.959 1.00 0.00 ? 28 CYS A C 15 ATOM 9482 O O . CYS A 1 28 ? -2.295 1.798 -9.732 1.00 0.00 ? 28 CYS A O 15 ATOM 9483 C CB . CYS A 1 28 ? 0.128 1.125 -11.552 1.00 0.00 ? 28 CYS A CB 15 ATOM 9484 S SG . CYS A 1 28 ? 1.027 0.488 -10.102 1.00 0.00 ? 28 CYS A SG 15 ATOM 9485 H H . CYS A 1 28 ? -1.660 1.213 -13.649 1.00 0.00 ? 28 CYS A H 15 ATOM 9486 H HA . CYS A 1 28 ? -1.441 -0.261 -11.106 1.00 0.00 ? 28 CYS A HA 15 ATOM 9487 H HB2 . CYS A 1 28 ? 0.647 0.783 -12.436 1.00 0.00 ? 28 CYS A HB2 15 ATOM 9488 H HB3 . CYS A 1 28 ? 0.165 2.203 -11.515 1.00 0.00 ? 28 CYS A HB3 15 ATOM 9489 N N . PHE A 1 29 ? -2.919 2.507 -11.774 1.00 0.00 ? 29 PHE A N 15 ATOM 9490 C CA . PHE A 1 29 ? -3.811 3.541 -11.263 1.00 0.00 ? 29 PHE A CA 15 ATOM 9491 C C . PHE A 1 29 ? -5.250 3.283 -11.700 1.00 0.00 ? 29 PHE A C 15 ATOM 9492 O O . PHE A 1 29 ? -6.197 3.708 -11.040 1.00 0.00 ? 29 PHE A O 15 ATOM 9493 C CB . PHE A 1 29 ? -3.359 4.920 -11.747 1.00 0.00 ? 29 PHE A CB 15 ATOM 9494 C CG . PHE A 1 29 ? -2.203 5.479 -10.967 1.00 0.00 ? 29 PHE A CG 15 ATOM 9495 C CD1 . PHE A 1 29 ? -1.020 4.767 -10.850 1.00 0.00 ? 29 PHE A CD1 15 ATOM 9496 C CD2 . PHE A 1 29 ? -2.300 6.717 -10.352 1.00 0.00 ? 29 PHE A CD2 15 ATOM 9497 C CE1 . PHE A 1 29 ? 0.045 5.279 -10.134 1.00 0.00 ? 29 PHE A CE1 15 ATOM 9498 C CE2 . PHE A 1 29 ? -1.237 7.234 -9.635 1.00 0.00 ? 29 PHE A CE2 15 ATOM 9499 C CZ . PHE A 1 29 ? -0.064 6.514 -9.525 1.00 0.00 ? 29 PHE A CZ 15 ATOM 9500 H H . PHE A 1 29 ? -2.825 2.393 -12.744 1.00 0.00 ? 29 PHE A H 15 ATOM 9501 H HA . PHE A 1 29 ? -3.765 3.514 -10.185 1.00 0.00 ? 29 PHE A HA 15 ATOM 9502 H HB2 . PHE A 1 29 ? -3.058 4.850 -12.781 1.00 0.00 ? 29 PHE A HB2 15 ATOM 9503 H HB3 . PHE A 1 29 ? -4.184 5.612 -11.662 1.00 0.00 ? 29 PHE A HB3 15 ATOM 9504 H HD1 . PHE A 1 29 ? -0.934 3.801 -11.326 1.00 0.00 ? 29 PHE A HD1 15 ATOM 9505 H HD2 . PHE A 1 29 ? -3.217 7.281 -10.436 1.00 0.00 ? 29 PHE A HD2 15 ATOM 9506 H HE1 . PHE A 1 29 ? 0.961 4.713 -10.050 1.00 0.00 ? 29 PHE A HE1 15 ATOM 9507 H HE2 . PHE A 1 29 ? -1.325 8.200 -9.160 1.00 0.00 ? 29 PHE A HE2 15 ATOM 9508 H HZ . PHE A 1 29 ? 0.768 6.916 -8.966 1.00 0.00 ? 29 PHE A HZ 15 ATOM 9509 N N . GLY A 1 30 ? -5.406 2.582 -12.820 1.00 0.00 ? 30 GLY A N 15 ATOM 9510 C CA . GLY A 1 30 ? -6.731 2.279 -13.327 1.00 0.00 ? 30 GLY A CA 15 ATOM 9511 C C . GLY A 1 30 ? -7.172 3.245 -14.410 1.00 0.00 ? 30 GLY A C 15 ATOM 9512 O O . GLY A 1 30 ? -8.364 3.373 -14.690 1.00 0.00 ? 30 GLY A O 15 ATOM 9513 H H . GLY A 1 30 ? -4.614 2.268 -13.305 1.00 0.00 ? 30 GLY A H 15 ATOM 9514 H HA2 . GLY A 1 30 ? -6.730 1.278 -13.731 1.00 0.00 ? 30 GLY A HA2 15 ATOM 9515 H HA3 . GLY A 1 30 ? -7.436 2.326 -12.511 1.00 0.00 ? 30 GLY A HA3 15 ATOM 9516 N N . VAL A 1 31 ? -6.208 3.929 -15.019 1.00 0.00 ? 31 VAL A N 15 ATOM 9517 C CA . VAL A 1 31 ? -6.503 4.888 -16.076 1.00 0.00 ? 31 VAL A CA 15 ATOM 9518 C C . VAL A 1 31 ? -6.380 4.245 -17.453 1.00 0.00 ? 31 VAL A C 15 ATOM 9519 O O . VAL A 1 31 ? -7.100 4.604 -18.385 1.00 0.00 ? 31 VAL A O 15 ATOM 9520 C CB . VAL A 1 31 ? -5.563 6.107 -16.006 1.00 0.00 ? 31 VAL A CB 15 ATOM 9521 C CG1 . VAL A 1 31 ? -5.689 6.801 -14.658 1.00 0.00 ? 31 VAL A CG1 15 ATOM 9522 C CG2 . VAL A 1 31 ? -4.125 5.686 -16.266 1.00 0.00 ? 31 VAL A CG2 15 ATOM 9523 H H . VAL A 1 31 ? -5.277 3.783 -14.752 1.00 0.00 ? 31 VAL A H 15 ATOM 9524 H HA . VAL A 1 31 ? -7.517 5.234 -15.940 1.00 0.00 ? 31 VAL A HA 15 ATOM 9525 H HB . VAL A 1 31 ? -5.856 6.807 -16.775 1.00 0.00 ? 31 VAL A HB 15 ATOM 9526 H HG11 . VAL A 1 31 ? -5.559 6.077 -13.867 1.00 0.00 ? 31 VAL A HG11 15 ATOM 9527 H HG12 . VAL A 1 31 ? -4.931 7.566 -14.575 1.00 0.00 ? 31 VAL A HG12 15 ATOM 9528 H HG13 . VAL A 1 31 ? -6.667 7.252 -14.575 1.00 0.00 ? 31 VAL A HG13 15 ATOM 9529 H HG21 . VAL A 1 31 ? -3.963 5.594 -17.330 1.00 0.00 ? 31 VAL A HG21 15 ATOM 9530 H HG22 . VAL A 1 31 ? -3.454 6.429 -15.862 1.00 0.00 ? 31 VAL A HG22 15 ATOM 9531 H HG23 . VAL A 1 31 ? -3.936 4.734 -15.790 1.00 0.00 ? 31 VAL A HG23 15 ATOM 9532 N N . LYS A 1 32 ? -5.464 3.290 -17.574 1.00 0.00 ? 32 LYS A N 15 ATOM 9533 C CA . LYS A 1 32 ? -5.247 2.593 -18.836 1.00 0.00 ? 32 LYS A CA 15 ATOM 9534 C C . LYS A 1 32 ? -6.536 1.943 -19.327 1.00 0.00 ? 32 LYS A C 15 ATOM 9535 O O . LYS A 1 32 ? -7.122 1.105 -18.640 1.00 0.00 ? 32 LYS A O 15 ATOM 9536 C CB . LYS A 1 32 ? -4.157 1.531 -18.675 1.00 0.00 ? 32 LYS A CB 15 ATOM 9537 C CG . LYS A 1 32 ? -4.131 0.510 -19.799 1.00 0.00 ? 32 LYS A CG 15 ATOM 9538 C CD . LYS A 1 32 ? -3.917 1.173 -21.150 1.00 0.00 ? 32 LYS A CD 15 ATOM 9539 C CE . LYS A 1 32 ? -2.526 1.779 -21.258 1.00 0.00 ? 32 LYS A CE 15 ATOM 9540 N NZ . LYS A 1 32 ? -2.068 1.866 -22.673 1.00 0.00 ? 32 LYS A NZ 15 ATOM 9541 H H . LYS A 1 32 ? -4.921 3.047 -16.794 1.00 0.00 ? 32 LYS A H 15 ATOM 9542 H HA . LYS A 1 32 ? -4.924 3.320 -19.565 1.00 0.00 ? 32 LYS A HA 15 ATOM 9543 H HB2 . LYS A 1 32 ? -3.195 2.022 -18.640 1.00 0.00 ? 32 LYS A HB2 15 ATOM 9544 H HB3 . LYS A 1 32 ? -4.318 1.006 -17.744 1.00 0.00 ? 32 LYS A HB3 15 ATOM 9545 H HG2 . LYS A 1 32 ? -3.327 -0.188 -19.621 1.00 0.00 ? 32 LYS A HG2 15 ATOM 9546 H HG3 . LYS A 1 32 ? -5.073 -0.019 -19.814 1.00 0.00 ? 32 LYS A HG3 15 ATOM 9547 H HD2 . LYS A 1 32 ? -4.037 0.434 -21.927 1.00 0.00 ? 32 LYS A HD2 15 ATOM 9548 H HD3 . LYS A 1 32 ? -4.652 1.956 -21.277 1.00 0.00 ? 32 LYS A HD3 15 ATOM 9549 H HE2 . LYS A 1 32 ? -2.546 2.771 -20.834 1.00 0.00 ? 32 LYS A HE2 15 ATOM 9550 H HE3 . LYS A 1 32 ? -1.835 1.163 -20.702 1.00 0.00 ? 32 LYS A HE3 15 ATOM 9551 H HZ1 . LYS A 1 32 ? -2.425 2.738 -23.111 1.00 0.00 ? 32 LYS A HZ1 15 ATOM 9552 H HZ2 . LYS A 1 32 ? -2.421 1.050 -23.213 1.00 0.00 ? 32 LYS A HZ2 15 ATOM 9553 H HZ3 . LYS A 1 32 ? -1.029 1.870 -22.712 1.00 0.00 ? 32 LYS A HZ3 15 ATOM 9554 N N . HIS A 1 33 ? -6.973 2.333 -20.521 1.00 0.00 ? 33 HIS A N 15 ATOM 9555 C CA . HIS A 1 33 ? -8.192 1.786 -21.105 1.00 0.00 ? 33 HIS A CA 15 ATOM 9556 C C . HIS A 1 33 ? -7.996 0.327 -21.506 1.00 0.00 ? 33 HIS A C 15 ATOM 9557 O O . HIS A 1 33 ? -8.707 -0.559 -21.031 1.00 0.00 ? 33 HIS A O 15 ATOM 9558 C CB . HIS A 1 33 ? -8.614 2.609 -22.322 1.00 0.00 ? 33 HIS A CB 15 ATOM 9559 C CG . HIS A 1 33 ? -9.224 3.930 -21.969 1.00 0.00 ? 33 HIS A CG 15 ATOM 9560 N ND1 . HIS A 1 33 ? -8.715 4.757 -20.990 1.00 0.00 ? 33 HIS A ND1 15 ATOM 9561 C CD2 . HIS A 1 33 ? -10.306 4.569 -22.473 1.00 0.00 ? 33 HIS A CD2 15 ATOM 9562 C CE1 . HIS A 1 33 ? -9.459 5.845 -20.905 1.00 0.00 ? 33 HIS A CE1 15 ATOM 9563 N NE2 . HIS A 1 33 ? -10.431 5.756 -21.795 1.00 0.00 ? 33 HIS A NE2 15 ATOM 9564 H H . HIS A 1 33 ? -6.463 3.004 -21.020 1.00 0.00 ? 33 HIS A H 15 ATOM 9565 H HA . HIS A 1 33 ? -8.970 1.839 -20.358 1.00 0.00 ? 33 HIS A HA 15 ATOM 9566 H HB2 . HIS A 1 33 ? -7.747 2.798 -22.938 1.00 0.00 ? 33 HIS A HB2 15 ATOM 9567 H HB3 . HIS A 1 33 ? -9.340 2.049 -22.894 1.00 0.00 ? 33 HIS A HB3 15 ATOM 9568 H HD1 . HIS A 1 33 ? -7.928 4.572 -20.438 1.00 0.00 ? 33 HIS A HD1 15 ATOM 9569 H HD2 . HIS A 1 33 ? -10.953 4.211 -23.262 1.00 0.00 ? 33 HIS A HD2 15 ATOM 9570 H HE1 . HIS A 1 33 ? -9.300 6.668 -20.224 1.00 0.00 ? 33 HIS A HE1 15 ATOM 9571 N N . SER A 1 34 ? -7.027 0.085 -22.383 1.00 0.00 ? 34 SER A N 15 ATOM 9572 C CA . SER A 1 34 ? -6.740 -1.266 -22.852 1.00 0.00 ? 34 SER A CA 15 ATOM 9573 C C . SER A 1 34 ? -7.992 -1.918 -23.430 1.00 0.00 ? 34 SER A C 15 ATOM 9574 O O . SER A 1 34 ? -8.156 -3.137 -23.369 1.00 0.00 ? 34 SER A O 15 ATOM 9575 C CB . SER A 1 34 ? -6.189 -2.119 -21.707 1.00 0.00 ? 34 SER A CB 15 ATOM 9576 O OG . SER A 1 34 ? -5.743 -3.379 -22.179 1.00 0.00 ? 34 SER A OG 15 ATOM 9577 H H . SER A 1 34 ? -6.494 0.833 -22.725 1.00 0.00 ? 34 SER A H 15 ATOM 9578 H HA . SER A 1 34 ? -5.993 -1.196 -23.628 1.00 0.00 ? 34 SER A HA 15 ATOM 9579 H HB2 . SER A 1 34 ? -5.359 -1.606 -21.247 1.00 0.00 ? 34 SER A HB2 15 ATOM 9580 H HB3 . SER A 1 34 ? -6.966 -2.277 -20.974 1.00 0.00 ? 34 SER A HB3 15 ATOM 9581 H HG . SER A 1 34 ? -6.080 -4.073 -21.608 1.00 0.00 ? 34 SER A HG 15 ATOM 9582 N N . SER A 1 35 ? -8.873 -1.097 -23.992 1.00 0.00 ? 35 SER A N 15 ATOM 9583 C CA . SER A 1 35 ? -10.113 -1.592 -24.579 1.00 0.00 ? 35 SER A CA 15 ATOM 9584 C C . SER A 1 35 ? -9.826 -2.612 -25.676 1.00 0.00 ? 35 SER A C 15 ATOM 9585 O O . SER A 1 35 ? -10.628 -3.510 -25.930 1.00 0.00 ? 35 SER A O 15 ATOM 9586 C CB . SER A 1 35 ? -10.931 -0.431 -25.148 1.00 0.00 ? 35 SER A CB 15 ATOM 9587 O OG . SER A 1 35 ? -10.890 0.693 -24.287 1.00 0.00 ? 35 SER A OG 15 ATOM 9588 H H . SER A 1 35 ? -8.686 -0.135 -24.010 1.00 0.00 ? 35 SER A H 15 ATOM 9589 H HA . SER A 1 35 ? -10.681 -2.072 -23.796 1.00 0.00 ? 35 SER A HA 15 ATOM 9590 H HB2 . SER A 1 35 ? -10.530 -0.148 -26.109 1.00 0.00 ? 35 SER A HB2 15 ATOM 9591 H HB3 . SER A 1 35 ? -11.959 -0.743 -25.265 1.00 0.00 ? 35 SER A HB3 15 ATOM 9592 H HG . SER A 1 35 ? -10.593 1.463 -24.778 1.00 0.00 ? 35 SER A HG 15 ATOM 9593 N N . GLY A 1 36 ? -8.673 -2.468 -26.323 1.00 0.00 ? 36 GLY A N 15 ATOM 9594 C CA . GLY A 1 36 ? -8.299 -3.383 -27.385 1.00 0.00 ? 36 GLY A CA 15 ATOM 9595 C C . GLY A 1 36 ? -8.297 -2.720 -28.748 1.00 0.00 ? 36 GLY A C 15 ATOM 9596 O O . GLY A 1 36 ? -8.969 -3.179 -29.671 1.00 0.00 ? 36 GLY A O 15 ATOM 9597 H H . GLY A 1 36 ? -8.072 -1.733 -26.077 1.00 0.00 ? 36 GLY A H 15 ATOM 9598 H HA2 . GLY A 1 36 ? -7.311 -3.768 -27.182 1.00 0.00 ? 36 GLY A HA2 15 ATOM 9599 H HA3 . GLY A 1 36 ? -8.999 -4.205 -27.399 1.00 0.00 ? 36 GLY A HA3 15 ATOM 9600 N N . GLY A 1 37 ? -7.540 -1.634 -28.875 1.00 0.00 ? 37 GLY A N 15 ATOM 9601 C CA . GLY A 1 37 ? -7.469 -0.923 -30.138 1.00 0.00 ? 37 GLY A CA 15 ATOM 9602 C C . GLY A 1 37 ? -6.719 0.390 -30.024 1.00 0.00 ? 37 GLY A C 15 ATOM 9603 O O . GLY A 1 37 ? -5.813 0.666 -30.809 1.00 0.00 ? 37 GLY A O 15 ATOM 9604 H H . GLY A 1 37 ? -7.025 -1.314 -28.105 1.00 0.00 ? 37 GLY A H 15 ATOM 9605 H HA2 . GLY A 1 37 ? -6.970 -1.548 -30.864 1.00 0.00 ? 37 GLY A HA2 15 ATOM 9606 H HA3 . GLY A 1 37 ? -8.473 -0.721 -30.482 1.00 0.00 ? 37 GLY A HA3 15 ATOM 9607 N N . GLY A 1 38 ? -7.099 1.202 -29.042 1.00 0.00 ? 38 GLY A N 15 ATOM 9608 C CA . GLY A 1 38 ? -6.447 2.484 -28.847 1.00 0.00 ? 38 GLY A CA 15 ATOM 9609 C C . GLY A 1 38 ? -5.336 2.419 -27.817 1.00 0.00 ? 38 GLY A C 15 ATOM 9610 O O . GLY A 1 38 ? -5.295 1.504 -26.995 1.00 0.00 ? 38 GLY A O 15 ATOM 9611 H H . GLY A 1 38 ? -7.828 0.930 -28.446 1.00 0.00 ? 38 GLY A H 15 ATOM 9612 H HA2 . GLY A 1 38 ? -6.032 2.812 -29.788 1.00 0.00 ? 38 GLY A HA2 15 ATOM 9613 H HA3 . GLY A 1 38 ? -7.183 3.203 -28.519 1.00 0.00 ? 38 GLY A HA3 15 ATOM 9614 N N . GLY A 1 39 ? -4.431 3.391 -27.863 1.00 0.00 ? 39 GLY A N 15 ATOM 9615 C CA . GLY A 1 39 ? -3.325 3.420 -26.923 1.00 0.00 ? 39 GLY A CA 15 ATOM 9616 C C . GLY A 1 39 ? -2.041 2.881 -27.521 1.00 0.00 ? 39 GLY A C 15 ATOM 9617 O O . GLY A 1 39 ? -0.948 3.211 -27.061 1.00 0.00 ? 39 GLY A O 15 ATOM 9618 H H . GLY A 1 39 ? -4.514 4.094 -28.540 1.00 0.00 ? 39 GLY A H 15 ATOM 9619 H HA2 . GLY A 1 39 ? -3.163 4.440 -26.606 1.00 0.00 ? 39 GLY A HA2 15 ATOM 9620 H HA3 . GLY A 1 39 ? -3.585 2.823 -26.061 1.00 0.00 ? 39 GLY A HA3 15 ATOM 9621 N N . SER A 1 40 ? -2.172 2.049 -28.549 1.00 0.00 ? 40 SER A N 15 ATOM 9622 C CA . SER A 1 40 ? -1.013 1.458 -29.207 1.00 0.00 ? 40 SER A CA 15 ATOM 9623 C C . SER A 1 40 ? -1.037 1.743 -30.706 1.00 0.00 ? 40 SER A C 15 ATOM 9624 O O . SER A 1 40 ? -1.473 0.910 -31.501 1.00 0.00 ? 40 SER A O 15 ATOM 9625 C CB . SER A 1 40 ? -0.976 -0.051 -28.964 1.00 0.00 ? 40 SER A CB 15 ATOM 9626 O OG . SER A 1 40 ? -0.982 -0.345 -27.577 1.00 0.00 ? 40 SER A OG 15 ATOM 9627 H H . SER A 1 40 ? -3.071 1.824 -28.870 1.00 0.00 ? 40 SER A H 15 ATOM 9628 H HA . SER A 1 40 ? -0.127 1.905 -28.782 1.00 0.00 ? 40 SER A HA 15 ATOM 9629 H HB2 . SER A 1 40 ? -1.840 -0.509 -29.420 1.00 0.00 ? 40 SER A HB2 15 ATOM 9630 H HB3 . SER A 1 40 ? -0.077 -0.462 -29.402 1.00 0.00 ? 40 SER A HB3 15 ATOM 9631 H HG . SER A 1 40 ? -0.117 -0.667 -27.314 1.00 0.00 ? 40 SER A HG 15 ATOM 9632 N N . TYR A 1 41 ? -0.564 2.925 -31.085 1.00 0.00 ? 41 TYR A N 15 ATOM 9633 C CA . TYR A 1 41 ? -0.532 3.322 -32.488 1.00 0.00 ? 41 TYR A CA 15 ATOM 9634 C C . TYR A 1 41 ? 0.900 3.358 -33.011 1.00 0.00 ? 41 TYR A C 15 ATOM 9635 O O . TYR A 1 41 ? 1.855 3.435 -32.237 1.00 0.00 ? 41 TYR A O 15 ATOM 9636 C CB . TYR A 1 41 ? -1.188 4.692 -32.667 1.00 0.00 ? 41 TYR A CB 15 ATOM 9637 C CG . TYR A 1 41 ? -1.833 4.883 -34.020 1.00 0.00 ? 41 TYR A CG 15 ATOM 9638 C CD1 . TYR A 1 41 ? -1.113 5.404 -35.088 1.00 0.00 ? 41 TYR A CD1 15 ATOM 9639 C CD2 . TYR A 1 41 ? -3.164 4.542 -34.232 1.00 0.00 ? 41 TYR A CD2 15 ATOM 9640 C CE1 . TYR A 1 41 ? -1.699 5.580 -36.327 1.00 0.00 ? 41 TYR A CE1 15 ATOM 9641 C CE2 . TYR A 1 41 ? -3.757 4.714 -35.467 1.00 0.00 ? 41 TYR A CE2 15 ATOM 9642 C CZ . TYR A 1 41 ? -3.021 5.233 -36.511 1.00 0.00 ? 41 TYR A CZ 15 ATOM 9643 O OH . TYR A 1 41 ? -3.609 5.407 -37.743 1.00 0.00 ? 41 TYR A OH 15 ATOM 9644 H H . TYR A 1 41 ? -0.230 3.547 -30.405 1.00 0.00 ? 41 TYR A H 15 ATOM 9645 H HA . TYR A 1 41 ? -1.092 2.590 -33.052 1.00 0.00 ? 41 TYR A HA 15 ATOM 9646 H HB2 . TYR A 1 41 ? -1.951 4.820 -31.915 1.00 0.00 ? 41 TYR A HB2 15 ATOM 9647 H HB3 . TYR A 1 41 ? -0.438 5.461 -32.545 1.00 0.00 ? 41 TYR A HB3 15 ATOM 9648 H HD1 . TYR A 1 41 ? -0.077 5.674 -34.941 1.00 0.00 ? 41 TYR A HD1 15 ATOM 9649 H HD2 . TYR A 1 41 ? -3.738 4.136 -33.411 1.00 0.00 ? 41 TYR A HD2 15 ATOM 9650 H HE1 . TYR A 1 41 ? -1.123 5.986 -37.145 1.00 0.00 ? 41 TYR A HE1 15 ATOM 9651 H HE2 . TYR A 1 41 ? -4.793 4.443 -35.612 1.00 0.00 ? 41 TYR A HE2 15 ATOM 9652 H HH . TYR A 1 41 ? -4.054 6.257 -37.768 1.00 0.00 ? 41 TYR A HH 15 ATOM 9653 N N . HIS A 1 42 ? 1.042 3.303 -34.332 1.00 0.00 ? 42 HIS A N 15 ATOM 9654 C CA . HIS A 1 42 ? 2.358 3.330 -34.961 1.00 0.00 ? 42 HIS A CA 15 ATOM 9655 C C . HIS A 1 42 ? 2.732 4.751 -35.375 1.00 0.00 ? 42 HIS A C 15 ATOM 9656 O O . HIS A 1 42 ? 3.351 4.962 -36.418 1.00 0.00 ? 42 HIS A O 15 ATOM 9657 C CB . HIS A 1 42 ? 2.382 2.409 -36.181 1.00 0.00 ? 42 HIS A CB 15 ATOM 9658 C CG . HIS A 1 42 ? 3.727 1.805 -36.449 1.00 0.00 ? 42 HIS A CG 15 ATOM 9659 N ND1 . HIS A 1 42 ? 4.227 1.616 -37.719 1.00 0.00 ? 42 HIS A ND1 15 ATOM 9660 C CD2 . HIS A 1 42 ? 4.677 1.349 -35.600 1.00 0.00 ? 42 HIS A CD2 15 ATOM 9661 C CE1 . HIS A 1 42 ? 5.427 1.068 -37.641 1.00 0.00 ? 42 HIS A CE1 15 ATOM 9662 N NE2 . HIS A 1 42 ? 5.724 0.896 -36.365 1.00 0.00 ? 42 HIS A NE2 15 ATOM 9663 H H . HIS A 1 42 ? 0.243 3.242 -34.896 1.00 0.00 ? 42 HIS A H 15 ATOM 9664 H HA . HIS A 1 42 ? 3.078 2.977 -34.239 1.00 0.00 ? 42 HIS A HA 15 ATOM 9665 H HB2 . HIS A 1 42 ? 1.682 1.601 -36.028 1.00 0.00 ? 42 HIS A HB2 15 ATOM 9666 H HB3 . HIS A 1 42 ? 2.090 2.971 -37.056 1.00 0.00 ? 42 HIS A HB3 15 ATOM 9667 H HD1 . HIS A 1 42 ? 3.771 1.847 -38.555 1.00 0.00 ? 42 HIS A HD1 15 ATOM 9668 H HD2 . HIS A 1 42 ? 4.624 1.342 -34.520 1.00 0.00 ? 42 HIS A HD2 15 ATOM 9669 H HE1 . HIS A 1 42 ? 6.058 0.806 -38.476 1.00 0.00 ? 42 HIS A HE1 15 ATOM 9670 N N . CYS A 1 43 ? 2.353 5.721 -34.550 1.00 0.00 ? 43 CYS A N 15 ATOM 9671 C CA . CYS A 1 43 ? 2.647 7.121 -34.830 1.00 0.00 ? 43 CYS A CA 15 ATOM 9672 C C . CYS A 1 43 ? 3.050 7.857 -33.555 1.00 0.00 ? 43 CYS A C 15 ATOM 9673 O O . CYS A 1 43 ? 2.570 7.505 -32.479 1.00 0.00 ? 43 CYS A O 15 ATOM 9674 C CB . CYS A 1 43 ? 1.433 7.803 -35.463 1.00 0.00 ? 43 CYS A CB 15 ATOM 9675 S SG . CYS A 1 43 ? 1.657 9.584 -35.772 1.00 0.00 ? 43 CYS A SG 15 ATOM 9676 H H . CYS A 1 43 ? 1.862 5.490 -33.733 1.00 0.00 ? 43 CYS A H 15 ATOM 9677 H HA . CYS A 1 43 ? 3.472 7.155 -35.525 1.00 0.00 ? 43 CYS A HA 15 ATOM 9678 H HB2 . CYS A 1 43 ? 1.219 7.331 -36.411 1.00 0.00 ? 43 CYS A HB2 15 ATOM 9679 H HB3 . CYS A 1 43 ? 0.582 7.686 -34.809 1.00 0.00 ? 43 CYS A HB3 15 HETATM 9680 C C1 . NAG B 2 . ? 5.996 19.443 -20.696 1.00 0.00 ? 101 NAG A C1 15 HETATM 9681 C C2 . NAG B 2 . ? 6.455 20.398 -19.593 1.00 0.00 ? 101 NAG A C2 15 HETATM 9682 C C3 . NAG B 2 . ? 6.905 21.717 -20.228 1.00 0.00 ? 101 NAG A C3 15 HETATM 9683 C C4 . NAG B 2 . ? 7.952 21.411 -21.305 1.00 0.00 ? 101 NAG A C4 15 HETATM 9684 C C5 . NAG B 2 . ? 7.380 20.379 -22.279 1.00 0.00 ? 101 NAG A C5 15 HETATM 9685 C C6 . NAG B 2 . ? 8.407 20.092 -23.376 1.00 0.00 ? 101 NAG A C6 15 HETATM 9686 C C7 . NAG B 2 . ? 5.168 19.861 -17.595 1.00 0.00 ? 101 NAG A C7 15 HETATM 9687 C C8 . NAG B 2 . ? 4.027 20.122 -16.647 1.00 0.00 ? 101 NAG A C8 15 HETATM 9688 N N2 . NAG B 2 . ? 5.346 20.652 -18.672 1.00 0.00 ? 101 NAG A N2 15 HETATM 9689 O O3 . NAG B 2 . ? 7.478 22.566 -19.232 1.00 0.00 ? 101 NAG A O3 15 HETATM 9690 O O4 . NAG B 2 . ? 8.277 22.608 -22.014 1.00 0.00 ? 101 NAG A O4 15 HETATM 9691 O O5 . NAG B 2 . ? 7.080 19.172 -21.582 1.00 0.00 ? 101 NAG A O5 15 HETATM 9692 O O6 . NAG B 2 . ? 7.873 19.133 -24.290 1.00 0.00 ? 101 NAG A O6 15 HETATM 9693 O O7 . NAG B 2 . ? 5.928 18.939 -17.389 1.00 0.00 ? 101 NAG A O7 15 HETATM 9694 H H1 . NAG B 2 . ? 5.174 19.907 -21.260 1.00 0.00 ? 101 NAG A H1 15 HETATM 9695 H H2 . NAG B 2 . ? 7.291 19.947 -19.038 1.00 0.00 ? 101 NAG A H2 15 HETATM 9696 H H3 . NAG B 2 . ? 6.040 22.229 -20.675 1.00 0.00 ? 101 NAG A H3 15 HETATM 9697 H H4 . NAG B 2 . ? 8.862 21.013 -20.833 1.00 0.00 ? 101 NAG A H4 15 HETATM 9698 H H5 . NAG B 2 . ? 6.458 20.776 -22.730 1.00 0.00 ? 101 NAG A H5 15 HETATM 9699 H H61 . NAG B 2 . ? 8.661 21.021 -23.909 1.00 0.00 ? 101 NAG A H61 15 HETATM 9700 H H62 . NAG B 2 . ? 9.339 19.712 -22.930 1.00 0.00 ? 101 NAG A H62 15 HETATM 9701 H H81 . NAG B 2 . ? 4.026 21.183 -16.358 1.00 0.00 ? 101 NAG A H81 15 HETATM 9702 H H82 . NAG B 2 . ? 3.076 19.876 -17.141 1.00 0.00 ? 101 NAG A H82 15 HETATM 9703 H H83 . NAG B 2 . ? 4.145 19.497 -15.749 1.00 0.00 ? 101 NAG A H83 15 HETATM 9704 H HN2 . NAG B 2 . ? 4.719 21.412 -18.841 1.00 0.00 ? 101 NAG A HN2 15 HETATM 9705 H HO3 . NAG B 2 . ? 7.772 23.424 -19.653 1.00 0.00 ? 101 NAG A HO3 15 HETATM 9706 H HO4 . NAG B 2 . ? 9.224 22.559 -22.334 1.00 0.00 ? 101 NAG A HO4 15 HETATM 9707 H HO6 . NAG B 2 . ? 7.315 18.470 -23.790 1.00 0.00 ? 101 NAG A HO6 15 HETATM 9708 C C1 . NAG C 2 . ? 1.484 11.179 -36.945 1.00 0.00 ? 102 NAG A C1 15 HETATM 9709 C C2 . NAG C 2 . ? 1.369 12.627 -37.424 1.00 0.00 ? 102 NAG A C2 15 HETATM 9710 C C3 . NAG C 2 . ? 0.774 12.643 -38.836 1.00 0.00 ? 102 NAG A C3 15 HETATM 9711 C C4 . NAG C 2 . ? 1.611 11.722 -39.731 1.00 0.00 ? 102 NAG A C4 15 HETATM 9712 C C5 . NAG C 2 . ? 1.707 10.342 -39.077 1.00 0.00 ? 102 NAG A C5 15 HETATM 9713 C C6 . NAG C 2 . ? 2.514 9.407 -39.981 1.00 0.00 ? 102 NAG A C6 15 HETATM 9714 C C7 . NAG C 2 . ? 1.020 14.013 -35.450 1.00 0.00 ? 102 NAG A C7 15 HETATM 9715 C C8 . NAG C 2 . ? 0.123 14.784 -34.517 1.00 0.00 ? 102 NAG A C8 15 HETATM 9716 N N2 . NAG C 2 . ? 0.497 13.376 -36.517 1.00 0.00 ? 102 NAG A N2 15 HETATM 9717 O O3 . NAG C 2 . ? 0.799 13.971 -39.360 1.00 0.00 ? 102 NAG A O3 15 HETATM 9718 O O4 . NAG C 2 . ? 0.990 11.601 -41.011 1.00 0.00 ? 102 NAG A O4 15 HETATM 9719 O O5 . NAG C 2 . ? 2.352 10.451 -37.810 1.00 0.00 ? 102 NAG A O5 15 HETATM 9720 O O6 . NAG C 2 . ? 2.601 8.116 -39.375 1.00 0.00 ? 102 NAG A O6 15 HETATM 9721 O O7 . NAG C 2 . ? 2.214 13.965 -35.242 1.00 0.00 ? 102 NAG A O7 15 HETATM 9722 H H1 . NAG C 2 . ? 0.487 10.713 -36.956 1.00 0.00 ? 102 NAG A H1 15 HETATM 9723 H H2 . NAG C 2 . ? 2.366 13.092 -37.435 1.00 0.00 ? 102 NAG A H2 15 HETATM 9724 H H3 . NAG C 2 . ? -0.269 12.293 -38.803 1.00 0.00 ? 102 NAG A H3 15 HETATM 9725 H H4 . NAG C 2 . ? 2.618 12.145 -39.857 1.00 0.00 ? 102 NAG A H4 15 HETATM 9726 H H5 . NAG C 2 . ? 0.695 9.935 -38.934 1.00 0.00 ? 102 NAG A H5 15 HETATM 9727 H H61 . NAG C 2 . ? 2.035 9.330 -40.969 1.00 0.00 ? 102 NAG A H61 15 HETATM 9728 H H62 . NAG C 2 . ? 3.522 9.817 -40.143 1.00 0.00 ? 102 NAG A H62 15 HETATM 9729 H H81 . NAG C 2 . ? -0.518 15.460 -35.100 1.00 0.00 ? 102 NAG A H81 15 HETATM 9730 H H82 . NAG C 2 . ? -0.505 14.082 -33.949 1.00 0.00 ? 102 NAG A H82 15 HETATM 9731 H H83 . NAG C 2 . ? 0.738 15.372 -33.819 1.00 0.00 ? 102 NAG A H83 15 HETATM 9732 H HN2 . NAG C 2 . ? -0.487 13.415 -36.689 1.00 0.00 ? 102 NAG A HN2 15 HETATM 9733 H HO3 . NAG C 2 . ? 0.411 13.974 -40.281 1.00 0.00 ? 102 NAG A HO3 15 HETATM 9734 H HO4 . NAG C 2 . ? 1.690 11.450 -41.709 1.00 0.00 ? 102 NAG A HO4 15 HETATM 9735 H HO6 . NAG C 2 . ? 2.674 8.217 -38.383 1.00 0.00 ? 102 NAG A HO6 15 ATOM 9736 N N . LYS A 1 1 ? 1.513 -2.283 -4.622 1.00 0.00 ? 1 LYS A N 16 ATOM 9737 C CA . LYS A 1 1 ? 2.125 -1.602 -5.756 1.00 0.00 ? 1 LYS A CA 16 ATOM 9738 C C . LYS A 1 1 ? 3.645 -1.591 -5.630 1.00 0.00 ? 1 LYS A C 16 ATOM 9739 O O . LYS A 1 1 ? 4.202 -1.677 -4.535 1.00 0.00 ? 1 LYS A O 16 ATOM 9740 C CB . LYS A 1 1 ? 1.601 -0.168 -5.859 1.00 0.00 ? 1 LYS A CB 16 ATOM 9741 C CG . LYS A 1 1 ? 1.780 0.638 -4.584 1.00 0.00 ? 1 LYS A CG 16 ATOM 9742 C CD . LYS A 1 1 ? 0.695 1.691 -4.434 1.00 0.00 ? 1 LYS A CD 16 ATOM 9743 C CE . LYS A 1 1 ? -0.587 1.095 -3.872 1.00 0.00 ? 1 LYS A CE 16 ATOM 9744 N NZ . LYS A 1 1 ? -1.773 1.449 -4.700 1.00 0.00 ? 1 LYS A NZ 16 ATOM 9745 H H1 . LYS A 1 1 ? 2.089 -2.737 -3.970 1.00 0.00 ? 1 LYS A H1 16 ATOM 9746 H HA . LYS A 1 1 ? 1.854 -2.140 -6.652 1.00 0.00 ? 1 LYS A HA 16 ATOM 9747 H HB2 . LYS A 1 1 ? 2.126 0.338 -6.657 1.00 0.00 ? 1 LYS A HB2 16 ATOM 9748 H HB3 . LYS A 1 1 ? 0.547 -0.198 -6.096 1.00 0.00 ? 1 LYS A HB3 16 ATOM 9749 H HG2 . LYS A 1 1 ? 1.737 -0.031 -3.737 1.00 0.00 ? 1 LYS A HG2 16 ATOM 9750 H HG3 . LYS A 1 1 ? 2.743 1.128 -4.611 1.00 0.00 ? 1 LYS A HG3 16 ATOM 9751 H HD2 . LYS A 1 1 ? 1.043 2.462 -3.762 1.00 0.00 ? 1 LYS A HD2 16 ATOM 9752 H HD3 . LYS A 1 1 ? 0.487 2.122 -5.403 1.00 0.00 ? 1 LYS A HD3 16 ATOM 9753 H HE2 . LYS A 1 1 ? -0.486 0.021 -3.844 1.00 0.00 ? 1 LYS A HE2 16 ATOM 9754 H HE3 . LYS A 1 1 ? -0.734 1.469 -2.870 1.00 0.00 ? 1 LYS A HE3 16 ATOM 9755 H HZ1 . LYS A 1 1 ? -1.468 1.889 -5.592 1.00 0.00 ? 1 LYS A HZ1 16 ATOM 9756 H HZ2 . LYS A 1 1 ? -2.381 2.118 -4.185 1.00 0.00 ? 1 LYS A HZ2 16 ATOM 9757 H HZ3 . LYS A 1 1 ? -2.324 0.595 -4.919 1.00 0.00 ? 1 LYS A HZ3 16 ATOM 9758 N N . PRO A 1 2 ? 4.334 -1.482 -6.775 1.00 0.00 ? 2 PRO A N 16 ATOM 9759 C CA . PRO A 1 2 ? 5.799 -1.456 -6.818 1.00 0.00 ? 2 PRO A CA 16 ATOM 9760 C C . PRO A 1 2 ? 6.373 -0.168 -6.236 1.00 0.00 ? 2 PRO A C 16 ATOM 9761 O O . PRO A 1 2 ? 5.650 0.632 -5.642 1.00 0.00 ? 2 PRO A O 16 ATOM 9762 C CB . PRO A 1 2 ? 6.112 -1.552 -8.314 1.00 0.00 ? 2 PRO A CB 16 ATOM 9763 C CG . PRO A 1 2 ? 4.903 -1.004 -8.990 1.00 0.00 ? 2 PRO A CG 16 ATOM 9764 C CD . PRO A 1 2 ? 3.736 -1.376 -8.117 1.00 0.00 ? 2 PRO A CD 16 ATOM 9765 H HA . PRO A 1 2 ? 6.227 -2.304 -6.304 1.00 0.00 ? 2 PRO A HA 16 ATOM 9766 H HB2 . PRO A 1 2 ? 6.992 -0.965 -8.538 1.00 0.00 ? 2 PRO A HB2 16 ATOM 9767 H HB3 . PRO A 1 2 ? 6.282 -2.584 -8.584 1.00 0.00 ? 2 PRO A HB3 16 ATOM 9768 H HG2 . PRO A 1 2 ? 4.983 0.069 -9.072 1.00 0.00 ? 2 PRO A HG2 16 ATOM 9769 H HG3 . PRO A 1 2 ? 4.796 -1.450 -9.968 1.00 0.00 ? 2 PRO A HG3 16 ATOM 9770 H HD2 . PRO A 1 2 ? 2.984 -0.602 -8.143 1.00 0.00 ? 2 PRO A HD2 16 ATOM 9771 H HD3 . PRO A 1 2 ? 3.318 -2.322 -8.428 1.00 0.00 ? 2 PRO A HD3 16 ATOM 9772 N N . ALA A 1 3 ? 7.676 0.025 -6.411 1.00 0.00 ? 3 ALA A N 16 ATOM 9773 C CA . ALA A 1 3 ? 8.346 1.217 -5.905 1.00 0.00 ? 3 ALA A CA 16 ATOM 9774 C C . ALA A 1 3 ? 8.327 2.338 -6.938 1.00 0.00 ? 3 ALA A C 16 ATOM 9775 O O . ALA A 1 3 ? 9.021 3.344 -6.790 1.00 0.00 ? 3 ALA A O 16 ATOM 9776 C CB . ALA A 1 3 ? 9.777 0.889 -5.505 1.00 0.00 ? 3 ALA A CB 16 ATOM 9777 H H . ALA A 1 3 ? 8.199 -0.649 -6.893 1.00 0.00 ? 3 ALA A H 16 ATOM 9778 H HA . ALA A 1 3 ? 7.818 1.547 -5.021 1.00 0.00 ? 3 ALA A HA 16 ATOM 9779 H HB1 . ALA A 1 3 ? 10.408 0.907 -6.382 1.00 0.00 ? 3 ALA A HB1 16 ATOM 9780 H HB2 . ALA A 1 3 ? 10.129 1.620 -4.793 1.00 0.00 ? 3 ALA A HB2 16 ATOM 9781 H HB3 . ALA A 1 3 ? 9.809 -0.094 -5.059 1.00 0.00 ? 3 ALA A HB3 16 ATOM 9782 N N . TRP A 1 4 ? 7.529 2.158 -7.985 1.00 0.00 ? 4 TRP A N 16 ATOM 9783 C CA . TRP A 1 4 ? 7.421 3.155 -9.044 1.00 0.00 ? 4 TRP A CA 16 ATOM 9784 C C . TRP A 1 4 ? 6.164 4.000 -8.869 1.00 0.00 ? 4 TRP A C 16 ATOM 9785 O O . TRP A 1 4 ? 6.188 5.215 -9.070 1.00 0.00 ? 4 TRP A O 16 ATOM 9786 C CB . TRP A 1 4 ? 7.408 2.475 -10.413 1.00 0.00 ? 4 TRP A CB 16 ATOM 9787 C CG . TRP A 1 4 ? 8.063 1.127 -10.414 1.00 0.00 ? 4 TRP A CG 16 ATOM 9788 C CD1 . TRP A 1 4 ? 9.266 0.800 -9.855 1.00 0.00 ? 4 TRP A CD1 16 ATOM 9789 C CD2 . TRP A 1 4 ? 7.552 -0.074 -11.003 1.00 0.00 ? 4 TRP A CD2 16 ATOM 9790 N NE1 . TRP A 1 4 ? 9.533 -0.532 -10.061 1.00 0.00 ? 4 TRP A NE1 16 ATOM 9791 C CE2 . TRP A 1 4 ? 8.498 -1.091 -10.762 1.00 0.00 ? 4 TRP A CE2 16 ATOM 9792 C CE3 . TRP A 1 4 ? 6.388 -0.391 -11.708 1.00 0.00 ? 4 TRP A CE3 16 ATOM 9793 C CZ2 . TRP A 1 4 ? 8.313 -2.398 -11.203 1.00 0.00 ? 4 TRP A CZ2 16 ATOM 9794 C CZ3 . TRP A 1 4 ? 6.206 -1.689 -12.145 1.00 0.00 ? 4 TRP A CZ3 16 ATOM 9795 C CH2 . TRP A 1 4 ? 7.164 -2.680 -11.891 1.00 0.00 ? 4 TRP A CH2 16 ATOM 9796 H H . TRP A 1 4 ? 7.000 1.335 -8.047 1.00 0.00 ? 4 TRP A H 16 ATOM 9797 H HA . TRP A 1 4 ? 8.286 3.799 -8.980 1.00 0.00 ? 4 TRP A HA 16 ATOM 9798 H HB2 . TRP A 1 4 ? 6.385 2.348 -10.736 1.00 0.00 ? 4 TRP A HB2 16 ATOM 9799 H HB3 . TRP A 1 4 ? 7.930 3.100 -11.123 1.00 0.00 ? 4 TRP A HB3 16 ATOM 9800 H HD1 . TRP A 1 4 ? 9.903 1.497 -9.332 1.00 0.00 ? 4 TRP A HD1 16 ATOM 9801 H HE1 . TRP A 1 4 ? 10.335 -1.005 -9.754 1.00 0.00 ? 4 TRP A HE1 16 ATOM 9802 H HE3 . TRP A 1 4 ? 5.639 0.359 -11.914 1.00 0.00 ? 4 TRP A HE3 16 ATOM 9803 H HZ2 . TRP A 1 4 ? 9.041 -3.174 -11.014 1.00 0.00 ? 4 TRP A HZ2 16 ATOM 9804 H HZ3 . TRP A 1 4 ? 5.313 -1.952 -12.693 1.00 0.00 ? 4 TRP A HZ3 16 ATOM 9805 H HH2 . TRP A 1 4 ? 6.980 -3.680 -12.251 1.00 0.00 ? 4 TRP A HH2 16 ATOM 9806 N N . CYS A 1 5 ? 5.067 3.351 -8.495 1.00 0.00 ? 5 CYS A N 16 ATOM 9807 C CA . CYS A 1 5 ? 3.800 4.042 -8.294 1.00 0.00 ? 5 CYS A CA 16 ATOM 9808 C C . CYS A 1 5 ? 3.701 4.596 -6.875 1.00 0.00 ? 5 CYS A C 16 ATOM 9809 O O . CYS A 1 5 ? 4.684 4.612 -6.135 1.00 0.00 ? 5 CYS A O 16 ATOM 9810 C CB . CYS A 1 5 ? 2.629 3.095 -8.566 1.00 0.00 ? 5 CYS A CB 16 ATOM 9811 S SG . CYS A 1 5 ? 2.846 2.050 -10.042 1.00 0.00 ? 5 CYS A SG 16 ATOM 9812 H H . CYS A 1 5 ? 5.111 2.381 -8.350 1.00 0.00 ? 5 CYS A H 16 ATOM 9813 H HA . CYS A 1 5 ? 3.756 4.865 -8.991 1.00 0.00 ? 5 CYS A HA 16 ATOM 9814 H HB2 . CYS A 1 5 ? 2.501 2.440 -7.717 1.00 0.00 ? 5 CYS A HB2 16 ATOM 9815 H HB3 . CYS A 1 5 ? 1.730 3.677 -8.704 1.00 0.00 ? 5 CYS A HB3 16 ATOM 9816 N N . TRP A 1 6 ? 2.509 5.047 -6.504 1.00 0.00 ? 6 TRP A N 16 ATOM 9817 C CA . TRP A 1 6 ? 2.281 5.601 -5.174 1.00 0.00 ? 6 TRP A CA 16 ATOM 9818 C C . TRP A 1 6 ? 0.865 5.302 -4.695 1.00 0.00 ? 6 TRP A C 16 ATOM 9819 O O . TRP A 1 6 ? 0.656 4.927 -3.541 1.00 0.00 ? 6 TRP A O 16 ATOM 9820 C CB . TRP A 1 6 ? 2.523 7.111 -5.180 1.00 0.00 ? 6 TRP A CB 16 ATOM 9821 C CG . TRP A 1 6 ? 3.241 7.602 -3.959 1.00 0.00 ? 6 TRP A CG 16 ATOM 9822 C CD1 . TRP A 1 6 ? 4.538 8.023 -3.886 1.00 0.00 ? 6 TRP A CD1 16 ATOM 9823 C CD2 . TRP A 1 6 ? 2.703 7.722 -2.638 1.00 0.00 ? 6 TRP A CD2 16 ATOM 9824 N NE1 . TRP A 1 6 ? 4.839 8.397 -2.598 1.00 0.00 ? 6 TRP A NE1 16 ATOM 9825 C CE2 . TRP A 1 6 ? 3.729 8.222 -1.814 1.00 0.00 ? 6 TRP A CE2 16 ATOM 9826 C CE3 . TRP A 1 6 ? 1.453 7.456 -2.072 1.00 0.00 ? 6 TRP A CE3 16 ATOM 9827 C CZ2 . TRP A 1 6 ? 3.543 8.460 -0.455 1.00 0.00 ? 6 TRP A CZ2 16 ATOM 9828 C CZ3 . TRP A 1 6 ? 1.270 7.693 -0.723 1.00 0.00 ? 6 TRP A CZ3 16 ATOM 9829 C CH2 . TRP A 1 6 ? 2.309 8.191 0.074 1.00 0.00 ? 6 TRP A CH2 16 ATOM 9830 H H . TRP A 1 6 ? 1.763 5.007 -7.139 1.00 0.00 ? 6 TRP A H 16 ATOM 9831 H HA . TRP A 1 6 ? 2.983 5.136 -4.498 1.00 0.00 ? 6 TRP A HA 16 ATOM 9832 H HB2 . TRP A 1 6 ? 3.117 7.371 -6.043 1.00 0.00 ? 6 TRP A HB2 16 ATOM 9833 H HB3 . TRP A 1 6 ? 1.571 7.620 -5.235 1.00 0.00 ? 6 TRP A HB3 16 ATOM 9834 H HD1 . TRP A 1 6 ? 5.217 8.051 -4.724 1.00 0.00 ? 6 TRP A HD1 16 ATOM 9835 H HE1 . TRP A 1 6 ? 5.706 8.736 -2.292 1.00 0.00 ? 6 TRP A HE1 16 ATOM 9836 H HE3 . TRP A 1 6 ? 0.640 7.072 -2.669 1.00 0.00 ? 6 TRP A HE3 16 ATOM 9837 H HZ2 . TRP A 1 6 ? 4.334 8.845 0.172 1.00 0.00 ? 6 TRP A HZ2 16 ATOM 9838 H HZ3 . TRP A 1 6 ? 0.311 7.493 -0.267 1.00 0.00 ? 6 TRP A HZ3 16 ATOM 9839 H HH2 . TRP A 1 6 ? 2.121 8.361 1.122 1.00 0.00 ? 6 TRP A HH2 16 ATOM 9840 N N . TYR A 1 7 ? -0.105 5.470 -5.587 1.00 0.00 ? 7 TYR A N 16 ATOM 9841 C CA . TYR A 1 7 ? -1.502 5.220 -5.254 1.00 0.00 ? 7 TYR A CA 16 ATOM 9842 C C . TYR A 1 7 ? -2.404 5.478 -6.457 1.00 0.00 ? 7 TYR A C 16 ATOM 9843 O O . TYR A 1 7 ? -1.931 5.608 -7.587 1.00 0.00 ? 7 TYR A O 16 ATOM 9844 C CB . TYR A 1 7 ? -1.934 6.102 -4.080 1.00 0.00 ? 7 TYR A CB 16 ATOM 9845 C CG . TYR A 1 7 ? -2.777 5.376 -3.056 1.00 0.00 ? 7 TYR A CG 16 ATOM 9846 C CD1 . TYR A 1 7 ? -2.324 4.207 -2.457 1.00 0.00 ? 7 TYR A CD1 16 ATOM 9847 C CD2 . TYR A 1 7 ? -4.026 5.861 -2.687 1.00 0.00 ? 7 TYR A CD2 16 ATOM 9848 C CE1 . TYR A 1 7 ? -3.092 3.541 -1.521 1.00 0.00 ? 7 TYR A CE1 16 ATOM 9849 C CE2 . TYR A 1 7 ? -4.799 5.202 -1.751 1.00 0.00 ? 7 TYR A CE2 16 ATOM 9850 C CZ . TYR A 1 7 ? -4.328 4.042 -1.171 1.00 0.00 ? 7 TYR A CZ 16 ATOM 9851 O OH . TYR A 1 7 ? -5.095 3.382 -0.239 1.00 0.00 ? 7 TYR A OH 16 ATOM 9852 H H . TYR A 1 7 ? 0.124 5.771 -6.491 1.00 0.00 ? 7 TYR A H 16 ATOM 9853 H HA . TYR A 1 7 ? -1.594 4.183 -4.965 1.00 0.00 ? 7 TYR A HA 16 ATOM 9854 H HB2 . TYR A 1 7 ? -1.055 6.478 -3.579 1.00 0.00 ? 7 TYR A HB2 16 ATOM 9855 H HB3 . TYR A 1 7 ? -2.511 6.933 -4.457 1.00 0.00 ? 7 TYR A HB3 16 ATOM 9856 H HD1 . TYR A 1 7 ? -1.355 3.817 -2.733 1.00 0.00 ? 7 TYR A HD1 16 ATOM 9857 H HD2 . TYR A 1 7 ? -4.392 6.770 -3.142 1.00 0.00 ? 7 TYR A HD2 16 ATOM 9858 H HE1 . TYR A 1 7 ? -2.723 2.633 -1.067 1.00 0.00 ? 7 TYR A HE1 16 ATOM 9859 H HE2 . TYR A 1 7 ? -5.768 5.594 -1.477 1.00 0.00 ? 7 TYR A HE2 16 ATOM 9860 H HH . TYR A 1 7 ? -5.986 3.271 -0.578 1.00 0.00 ? 7 TYR A HH 16 ATOM 9861 N N . THR A 1 8 ? -3.707 5.552 -6.206 1.00 0.00 ? 8 THR A N 16 ATOM 9862 C CA . THR A 1 8 ? -4.677 5.794 -7.267 1.00 0.00 ? 8 THR A CA 16 ATOM 9863 C C . THR A 1 8 ? -5.108 7.256 -7.295 1.00 0.00 ? 8 THR A C 16 ATOM 9864 O O . THR A 1 8 ? -6.207 7.581 -7.747 1.00 0.00 ? 8 THR A O 16 ATOM 9865 C CB . THR A 1 8 ? -5.924 4.906 -7.101 1.00 0.00 ? 8 THR A CB 16 ATOM 9866 O OG1 . THR A 1 8 ? -5.539 3.597 -6.666 1.00 0.00 ? 8 THR A OG1 16 ATOM 9867 C CG2 . THR A 1 8 ? -6.694 4.804 -8.409 1.00 0.00 ? 8 THR A CG2 16 ATOM 9868 H H . THR A 1 8 ? -4.023 5.441 -5.285 1.00 0.00 ? 8 THR A H 16 ATOM 9869 H HA . THR A 1 8 ? -4.209 5.549 -8.209 1.00 0.00 ? 8 THR A HA 16 ATOM 9870 H HB . THR A 1 8 ? -6.568 5.350 -6.355 1.00 0.00 ? 8 THR A HB 16 ATOM 9871 H HG1 . THR A 1 8 ? -5.609 3.544 -5.710 1.00 0.00 ? 8 THR A HG1 16 ATOM 9872 H HG21 . THR A 1 8 ? -7.705 5.154 -8.259 1.00 0.00 ? 8 THR A HG21 16 ATOM 9873 H HG22 . THR A 1 8 ? -6.714 3.775 -8.736 1.00 0.00 ? 8 THR A HG22 16 ATOM 9874 H HG23 . THR A 1 8 ? -6.210 5.412 -9.160 1.00 0.00 ? 8 THR A HG23 16 ATOM 9875 N N . LEU A 1 9 ? -4.238 8.134 -6.809 1.00 0.00 ? 9 LEU A N 16 ATOM 9876 C CA . LEU A 1 9 ? -4.529 9.563 -6.779 1.00 0.00 ? 9 LEU A CA 16 ATOM 9877 C C . LEU A 1 9 ? -4.656 10.123 -8.192 1.00 0.00 ? 9 LEU A C 16 ATOM 9878 O O . LEU A 1 9 ? -5.371 11.098 -8.422 1.00 0.00 ? 9 LEU A O 16 ATOM 9879 C CB . LEU A 1 9 ? -3.432 10.311 -6.018 1.00 0.00 ? 9 LEU A CB 16 ATOM 9880 C CG . LEU A 1 9 ? -3.691 10.549 -4.530 1.00 0.00 ? 9 LEU A CG 16 ATOM 9881 C CD1 . LEU A 1 9 ? -2.542 10.003 -3.695 1.00 0.00 ? 9 LEU A CD1 16 ATOM 9882 C CD2 . LEU A 1 9 ? -3.895 12.031 -4.254 1.00 0.00 ? 9 LEU A CD2 16 ATOM 9883 H H . LEU A 1 9 ? -3.379 7.815 -6.462 1.00 0.00 ? 9 LEU A H 16 ATOM 9884 H HA . LEU A 1 9 ? -5.469 9.699 -6.265 1.00 0.00 ? 9 LEU A HA 16 ATOM 9885 H HB2 . LEU A 1 9 ? -2.520 9.742 -6.108 1.00 0.00 ? 9 LEU A HB2 16 ATOM 9886 H HB3 . LEU A 1 9 ? -3.302 11.274 -6.490 1.00 0.00 ? 9 LEU A HB3 16 ATOM 9887 H HG . LEU A 1 9 ? -4.592 10.026 -4.239 1.00 0.00 ? 9 LEU A HG 16 ATOM 9888 H HD11 . LEU A 1 9 ? -1.737 10.721 -3.677 1.00 0.00 ? 9 LEU A HD11 16 ATOM 9889 H HD12 . LEU A 1 9 ? -2.191 9.078 -4.128 1.00 0.00 ? 9 LEU A HD12 16 ATOM 9890 H HD13 . LEU A 1 9 ? -2.886 9.820 -2.687 1.00 0.00 ? 9 LEU A HD13 16 ATOM 9891 H HD21 . LEU A 1 9 ? -3.987 12.190 -3.190 1.00 0.00 ? 9 LEU A HD21 16 ATOM 9892 H HD22 . LEU A 1 9 ? -4.794 12.368 -4.748 1.00 0.00 ? 9 LEU A HD22 16 ATOM 9893 H HD23 . LEU A 1 9 ? -3.048 12.587 -4.630 1.00 0.00 ? 9 LEU A HD23 16 ATOM 9894 N N . ALA A 1 10 ? -3.958 9.499 -9.135 1.00 0.00 ? 10 ALA A N 16 ATOM 9895 C CA . ALA A 1 10 ? -3.996 9.932 -10.526 1.00 0.00 ? 10 ALA A CA 16 ATOM 9896 C C . ALA A 1 10 ? -3.392 11.323 -10.685 1.00 0.00 ? 10 ALA A C 16 ATOM 9897 O O . ALA A 1 10 ? -4.079 12.268 -11.072 1.00 0.00 ? 10 ALA A O 16 ATOM 9898 C CB . ALA A 1 10 ? -5.426 9.912 -11.046 1.00 0.00 ? 10 ALA A CB 16 ATOM 9899 H H . ALA A 1 10 ? -3.406 8.728 -8.889 1.00 0.00 ? 10 ALA A H 16 ATOM 9900 H HA . ALA A 1 10 ? -3.417 9.231 -11.110 1.00 0.00 ? 10 ALA A HA 16 ATOM 9901 H HB1 . ALA A 1 10 ? -5.414 9.863 -12.125 1.00 0.00 ? 10 ALA A HB1 16 ATOM 9902 H HB2 . ALA A 1 10 ? -5.940 9.050 -10.651 1.00 0.00 ? 10 ALA A HB2 16 ATOM 9903 H HB3 . ALA A 1 10 ? -5.935 10.811 -10.732 1.00 0.00 ? 10 ALA A HB3 16 ATOM 9904 N N . MET A 1 11 ? -2.103 11.442 -10.382 1.00 0.00 ? 11 MET A N 16 ATOM 9905 C CA . MET A 1 11 ? -1.408 12.719 -10.492 1.00 0.00 ? 11 MET A CA 16 ATOM 9906 C C . MET A 1 11 ? -1.314 13.164 -11.948 1.00 0.00 ? 11 MET A C 16 ATOM 9907 O O . MET A 1 11 ? -1.978 14.115 -12.361 1.00 0.00 ? 11 MET A O 16 ATOM 9908 C CB . MET A 1 11 ? -0.006 12.614 -9.888 1.00 0.00 ? 11 MET A CB 16 ATOM 9909 C CG . MET A 1 11 ? -0.005 12.487 -8.373 1.00 0.00 ? 11 MET A CG 16 ATOM 9910 S SD . MET A 1 11 ? 1.653 12.284 -7.694 1.00 0.00 ? 11 MET A SD 16 ATOM 9911 C CE . MET A 1 11 ? 1.922 10.536 -7.975 1.00 0.00 ? 11 MET A CE 16 ATOM 9912 H H . MET A 1 11 ? -1.608 10.653 -10.079 1.00 0.00 ? 11 MET A H 16 ATOM 9913 H HA . MET A 1 11 ? -1.974 13.453 -9.939 1.00 0.00 ? 11 MET A HA 16 ATOM 9914 H HB2 . MET A 1 11 ? 0.487 11.746 -10.300 1.00 0.00 ? 11 MET A HB2 16 ATOM 9915 H HB3 . MET A 1 11 ? 0.555 13.497 -10.153 1.00 0.00 ? 11 MET A HB3 16 ATOM 9916 H HG2 . MET A 1 11 ? -0.445 13.378 -7.950 1.00 0.00 ? 11 MET A HG2 16 ATOM 9917 H HG3 . MET A 1 11 ? -0.600 11.629 -8.097 1.00 0.00 ? 11 MET A HG3 16 ATOM 9918 H HE1 . MET A 1 11 ? 0.974 10.051 -8.157 1.00 0.00 ? 11 MET A HE1 16 ATOM 9919 H HE2 . MET A 1 11 ? 2.564 10.404 -8.833 1.00 0.00 ? 11 MET A HE2 16 ATOM 9920 H HE3 . MET A 1 11 ? 2.389 10.099 -7.105 1.00 0.00 ? 11 MET A HE3 16 ATOM 9921 N N . CYS A 1 12 ? -0.486 12.471 -12.722 1.00 0.00 ? 12 CYS A N 16 ATOM 9922 C CA . CYS A 1 12 ? -0.305 12.794 -14.132 1.00 0.00 ? 12 CYS A CA 16 ATOM 9923 C C . CYS A 1 12 ? -1.650 12.881 -14.847 1.00 0.00 ? 12 CYS A C 16 ATOM 9924 O O . CYS A 1 12 ? -2.628 12.264 -14.429 1.00 0.00 ? 12 CYS A O 16 ATOM 9925 C CB . CYS A 1 12 ? 0.578 11.744 -14.808 1.00 0.00 ? 12 CYS A CB 16 ATOM 9926 S SG . CYS A 1 12 ? -0.249 10.145 -15.088 1.00 0.00 ? 12 CYS A SG 16 ATOM 9927 H H . CYS A 1 12 ? 0.017 11.722 -12.335 1.00 0.00 ? 12 CYS A H 16 ATOM 9928 H HA . CYS A 1 12 ? 0.184 13.755 -14.192 1.00 0.00 ? 12 CYS A HA 16 ATOM 9929 H HB2 . CYS A 1 12 ? 0.899 12.119 -15.769 1.00 0.00 ? 12 CYS A HB2 16 ATOM 9930 H HB3 . CYS A 1 12 ? 1.446 11.562 -14.191 1.00 0.00 ? 12 CYS A HB3 16 ATOM 9931 N N . GLY A 1 13 ? -1.690 13.652 -15.929 1.00 0.00 ? 13 GLY A N 16 ATOM 9932 C CA . GLY A 1 13 ? -2.919 13.806 -16.686 1.00 0.00 ? 13 GLY A CA 16 ATOM 9933 C C . GLY A 1 13 ? -3.734 15.000 -16.231 1.00 0.00 ? 13 GLY A C 16 ATOM 9934 O O . GLY A 1 13 ? -4.575 15.505 -16.974 1.00 0.00 ? 13 GLY A O 16 ATOM 9935 H H . GLY A 1 13 ? -0.878 14.121 -16.216 1.00 0.00 ? 13 GLY A H 16 ATOM 9936 H HA2 . GLY A 1 13 ? -2.673 13.928 -17.730 1.00 0.00 ? 13 GLY A HA2 16 ATOM 9937 H HA3 . GLY A 1 13 ? -3.514 12.912 -16.568 1.00 0.00 ? 13 GLY A HA3 16 ATOM 9938 N N . ALA A 1 14 ? -3.486 15.452 -15.006 1.00 0.00 ? 14 ALA A N 16 ATOM 9939 C CA . ALA A 1 14 ? -4.204 16.594 -14.453 1.00 0.00 ? 14 ALA A CA 16 ATOM 9940 C C . ALA A 1 14 ? -3.285 17.803 -14.311 1.00 0.00 ? 14 ALA A C 16 ATOM 9941 O O . ALA A 1 14 ? -3.515 18.674 -13.473 1.00 0.00 ? 14 ALA A O 16 ATOM 9942 C CB . ALA A 1 14 ? -4.816 16.232 -13.108 1.00 0.00 ? 14 ALA A CB 16 ATOM 9943 H H . ALA A 1 14 ? -2.804 15.007 -14.461 1.00 0.00 ? 14 ALA A H 16 ATOM 9944 H HA . ALA A 1 14 ? -5.008 16.843 -15.131 1.00 0.00 ? 14 ALA A HA 16 ATOM 9945 H HB1 . ALA A 1 14 ? -4.034 15.918 -12.431 1.00 0.00 ? 14 ALA A HB1 16 ATOM 9946 H HB2 . ALA A 1 14 ? -5.321 17.094 -12.699 1.00 0.00 ? 14 ALA A HB2 16 ATOM 9947 H HB3 . ALA A 1 14 ? -5.523 15.427 -13.239 1.00 0.00 ? 14 ALA A HB3 16 ATOM 9948 N N . GLY A 1 15 ? -2.243 17.849 -15.135 1.00 0.00 ? 15 GLY A N 16 ATOM 9949 C CA . GLY A 1 15 ? -1.305 18.955 -15.084 1.00 0.00 ? 15 GLY A CA 16 ATOM 9950 C C . GLY A 1 15 ? 0.003 18.576 -14.418 1.00 0.00 ? 15 GLY A C 16 ATOM 9951 O O . GLY A 1 15 ? 1.012 19.262 -14.580 1.00 0.00 ? 15 GLY A O 16 ATOM 9952 H H . GLY A 1 15 ? -2.110 17.125 -15.784 1.00 0.00 ? 15 GLY A H 16 ATOM 9953 H HA2 . GLY A 1 15 ? -1.101 19.286 -16.091 1.00 0.00 ? 15 GLY A HA2 16 ATOM 9954 H HA3 . GLY A 1 15 ? -1.754 19.767 -14.532 1.00 0.00 ? 15 GLY A HA3 16 ATOM 9955 N N . TYR A 1 16 ? -0.015 17.482 -13.664 1.00 0.00 ? 16 TYR A N 16 ATOM 9956 C CA . TYR A 1 16 ? 1.178 17.015 -12.967 1.00 0.00 ? 16 TYR A CA 16 ATOM 9957 C C . TYR A 1 16 ? 2.297 16.699 -13.954 1.00 0.00 ? 16 TYR A C 16 ATOM 9958 O O . TYR A 1 16 ? 3.478 16.857 -13.643 1.00 0.00 ? 16 TYR A O 16 ATOM 9959 C CB . TYR A 1 16 ? 0.854 15.774 -12.133 1.00 0.00 ? 16 TYR A CB 16 ATOM 9960 C CG . TYR A 1 16 ? 0.556 16.081 -10.683 1.00 0.00 ? 16 TYR A CG 16 ATOM 9961 C CD1 . TYR A 1 16 ? -0.709 16.497 -10.286 1.00 0.00 ? 16 TYR A CD1 16 ATOM 9962 C CD2 . TYR A 1 16 ? 1.539 15.954 -9.709 1.00 0.00 ? 16 TYR A CD2 16 ATOM 9963 C CE1 . TYR A 1 16 ? -0.985 16.779 -8.962 1.00 0.00 ? 16 TYR A CE1 16 ATOM 9964 C CE2 . TYR A 1 16 ? 1.271 16.232 -8.383 1.00 0.00 ? 16 TYR A CE2 16 ATOM 9965 C CZ . TYR A 1 16 ? 0.008 16.645 -8.014 1.00 0.00 ? 16 TYR A CZ 16 ATOM 9966 O OH . TYR A 1 16 ? -0.263 16.923 -6.694 1.00 0.00 ? 16 TYR A OH 16 ATOM 9967 H H . TYR A 1 16 ? -0.849 16.976 -13.574 1.00 0.00 ? 16 TYR A H 16 ATOM 9968 H HA . TYR A 1 16 ? 1.507 17.804 -12.308 1.00 0.00 ? 16 TYR A HA 16 ATOM 9969 H HB2 . TYR A 1 16 ? -0.011 15.283 -12.552 1.00 0.00 ? 16 TYR A HB2 16 ATOM 9970 H HB3 . TYR A 1 16 ? 1.696 15.098 -12.163 1.00 0.00 ? 16 TYR A HB3 16 ATOM 9971 H HD1 . TYR A 1 16 ? -1.485 16.601 -11.030 1.00 0.00 ? 16 TYR A HD1 16 ATOM 9972 H HD2 . TYR A 1 16 ? 2.528 15.630 -10.001 1.00 0.00 ? 16 TYR A HD2 16 ATOM 9973 H HE1 . TYR A 1 16 ? -1.975 17.102 -8.673 1.00 0.00 ? 16 TYR A HE1 16 ATOM 9974 H HE2 . TYR A 1 16 ? 2.049 16.127 -7.640 1.00 0.00 ? 16 TYR A HE2 16 ATOM 9975 H HH . TYR A 1 16 ? -0.009 16.174 -6.150 1.00 0.00 ? 16 TYR A HH 16 ATOM 9976 N N . ASP A 1 17 ? 1.917 16.253 -15.147 1.00 0.00 ? 17 ASP A N 16 ATOM 9977 C CA . ASP A 1 17 ? 2.888 15.916 -16.182 1.00 0.00 ? 17 ASP A CA 16 ATOM 9978 C C . ASP A 1 17 ? 2.615 16.704 -17.459 1.00 0.00 ? 17 ASP A C 16 ATOM 9979 O O . ASP A 1 17 ? 1.739 17.568 -17.492 1.00 0.00 ? 17 ASP A O 16 ATOM 9980 C CB . ASP A 1 17 ? 2.852 14.415 -16.476 1.00 0.00 ? 17 ASP A CB 16 ATOM 9981 C CG . ASP A 1 17 ? 3.251 13.580 -15.275 1.00 0.00 ? 17 ASP A CG 16 ATOM 9982 O OD1 . ASP A 1 17 ? 2.669 13.787 -14.190 1.00 0.00 ? 17 ASP A OD1 16 ATOM 9983 O OD2 . ASP A 1 17 ? 4.145 12.721 -15.420 1.00 0.00 ? 17 ASP A OD2 16 ATOM 9984 H H . ASP A 1 17 ? 0.961 16.148 -15.335 1.00 0.00 ? 17 ASP A H 16 ATOM 9985 H HA . ASP A 1 17 ? 3.869 16.178 -15.815 1.00 0.00 ? 17 ASP A HA 16 ATOM 9986 H HB2 . ASP A 1 17 ? 1.850 14.136 -16.768 1.00 0.00 ? 17 ASP A HB2 16 ATOM 9987 H HB3 . ASP A 1 17 ? 3.532 14.197 -17.285 1.00 0.00 ? 17 ASP A HB3 16 ATOM 9988 N N . SER A 1 18 ? 3.372 16.400 -18.509 1.00 0.00 ? 18 SER A N 16 ATOM 9989 C CA . SER A 1 18 ? 3.215 17.083 -19.788 1.00 0.00 ? 18 SER A CA 16 ATOM 9990 C C . SER A 1 18 ? 2.102 16.444 -20.612 1.00 0.00 ? 18 SER A C 16 ATOM 9991 O O . SER A 1 18 ? 2.448 15.479 -21.292 1.00 0.00 ? 18 SER A O 16 ATOM 9992 C CB . SER A 1 18 ? 4.529 17.051 -20.571 1.00 0.00 ? 18 SER A CB 16 ATOM 9993 O OG . SER A 1 18 ? 5.445 18.009 -20.070 1.00 0.00 ? 18 SER A OG 16 ATOM 9994 H H . SER A 1 18 ? 4.054 15.701 -18.420 1.00 0.00 ? 18 SER A H 16 ATOM 9995 H HA . SER A 1 18 ? 2.952 18.110 -19.585 1.00 0.00 ? 18 SER A HA 16 ATOM 9996 H HB2 . SER A 1 18 ? 4.971 16.070 -20.488 1.00 0.00 ? 18 SER A HB2 16 ATOM 9997 H HB3 . SER A 1 18 ? 4.330 17.269 -21.611 1.00 0.00 ? 18 SER A HB3 16 ATOM 9998 N N . GLY A 1 19 ? 0.970 16.426 -19.886 1.00 0.00 ? 19 GLY A N 16 ATOM 9999 C CA . GLY A 1 19 ? 0.080 15.280 -19.910 1.00 0.00 ? 19 GLY A CA 16 ATOM 10000 C C . GLY A 1 19 ? 0.760 14.028 -20.427 1.00 0.00 ? 19 GLY A C 16 ATOM 10001 O O . GLY A 1 19 ? 0.571 13.639 -21.580 1.00 0.00 ? 19 GLY A O 16 ATOM 10002 H H . GLY A 1 19 ? 0.741 17.211 -19.344 1.00 0.00 ? 19 GLY A H 16 ATOM 10003 H HA2 . GLY A 1 19 ? -0.279 15.095 -18.908 1.00 0.00 ? 19 GLY A HA2 16 ATOM 10004 H HA3 . GLY A 1 19 ? -0.763 15.507 -20.547 1.00 0.00 ? 19 GLY A HA3 16 ATOM 10005 N N . THR A 1 20 ? 1.558 13.394 -19.572 1.00 0.00 ? 20 THR A N 16 ATOM 10006 C CA . THR A 1 20 ? 2.272 12.181 -19.949 1.00 0.00 ? 20 THR A CA 16 ATOM 10007 C C . THR A 1 20 ? 2.533 11.297 -18.735 1.00 0.00 ? 20 THR A C 16 ATOM 10008 O O . THR A 1 20 ? 2.894 11.787 -17.664 1.00 0.00 ? 20 THR A O 16 ATOM 10009 C CB . THR A 1 20 ? 3.614 12.508 -20.631 1.00 0.00 ? 20 THR A CB 16 ATOM 10010 O OG1 . THR A 1 20 ? 4.144 11.334 -21.257 1.00 0.00 ? 20 THR A OG1 16 ATOM 10011 C CG2 . THR A 1 20 ? 4.616 13.047 -19.622 1.00 0.00 ? 20 THR A CG2 16 ATOM 10012 H H . THR A 1 20 ? 1.668 13.753 -18.667 1.00 0.00 ? 20 THR A H 16 ATOM 10013 H HA . THR A 1 20 ? 1.657 11.638 -20.653 1.00 0.00 ? 20 THR A HA 16 ATOM 10014 H HB . THR A 1 20 ? 3.443 13.262 -21.385 1.00 0.00 ? 20 THR A HB 16 ATOM 10015 H HG1 . THR A 1 20 ? 3.553 11.050 -21.958 1.00 0.00 ? 20 THR A HG1 16 ATOM 10016 H HG21 . THR A 1 20 ? 4.206 13.923 -19.141 1.00 0.00 ? 20 THR A HG21 16 ATOM 10017 H HG22 . THR A 1 20 ? 5.532 13.311 -20.130 1.00 0.00 ? 20 THR A HG22 16 ATOM 10018 H HG23 . THR A 1 20 ? 4.821 12.291 -18.879 1.00 0.00 ? 20 THR A HG23 16 ATOM 10019 N N . CYS A 1 21 ? 2.350 9.993 -18.908 1.00 0.00 ? 21 CYS A N 16 ATOM 10020 C CA . CYS A 1 21 ? 2.566 9.039 -17.827 1.00 0.00 ? 21 CYS A CA 16 ATOM 10021 C C . CYS A 1 21 ? 3.444 7.880 -18.291 1.00 0.00 ? 21 CYS A C 16 ATOM 10022 O O . CYS A 1 21 ? 3.941 7.877 -19.417 1.00 0.00 ? 21 CYS A O 16 ATOM 10023 C CB . CYS A 1 21 ? 1.227 8.506 -17.314 1.00 0.00 ? 21 CYS A CB 16 ATOM 10024 S SG . CYS A 1 21 ? -0.028 9.796 -17.031 1.00 0.00 ? 21 CYS A SG 16 ATOM 10025 H H . CYS A 1 21 ? 2.061 9.662 -19.786 1.00 0.00 ? 21 CYS A H 16 ATOM 10026 H HA . CYS A 1 21 ? 3.069 9.556 -17.024 1.00 0.00 ? 21 CYS A HA 16 ATOM 10027 H HB2 . CYS A 1 21 ? 0.825 7.810 -18.036 1.00 0.00 ? 21 CYS A HB2 16 ATOM 10028 H HB3 . CYS A 1 21 ? 1.388 7.992 -16.377 1.00 0.00 ? 21 CYS A HB3 16 ATOM 10029 N N . ASP A 1 22 ? 3.629 6.899 -17.415 1.00 0.00 ? 22 ASP A N 16 ATOM 10030 C CA . ASP A 1 22 ? 4.445 5.733 -17.735 1.00 0.00 ? 22 ASP A CA 16 ATOM 10031 C C . ASP A 1 22 ? 4.007 4.522 -16.917 1.00 0.00 ? 22 ASP A C 16 ATOM 10032 O O . ASP A 1 22 ? 3.343 3.621 -17.430 1.00 0.00 ? 22 ASP A O 16 ATOM 10033 C CB . ASP A 1 22 ? 5.922 6.032 -17.475 1.00 0.00 ? 22 ASP A CB 16 ATOM 10034 C CG . ASP A 1 22 ? 6.714 6.193 -18.758 1.00 0.00 ? 22 ASP A CG 16 ATOM 10035 O OD1 . ASP A 1 22 ? 6.473 7.181 -19.483 1.00 0.00 ? 22 ASP A OD1 16 ATOM 10036 O OD2 . ASP A 1 22 ? 7.574 5.332 -19.037 1.00 0.00 ? 22 ASP A OD2 16 ATOM 10037 H H . ASP A 1 22 ? 3.206 6.959 -16.533 1.00 0.00 ? 22 ASP A H 16 ATOM 10038 H HA . ASP A 1 22 ? 4.311 5.511 -18.782 1.00 0.00 ? 22 ASP A HA 16 ATOM 10039 H HB2 . ASP A 1 22 ? 6.004 6.947 -16.906 1.00 0.00 ? 22 ASP A HB2 16 ATOM 10040 H HB3 . ASP A 1 22 ? 6.353 5.220 -16.907 1.00 0.00 ? 22 ASP A HB3 16 ATOM 10041 N N . TYR A 1 23 ? 4.383 4.508 -15.643 1.00 0.00 ? 23 TYR A N 16 ATOM 10042 C CA . TYR A 1 23 ? 4.032 3.406 -14.754 1.00 0.00 ? 23 TYR A CA 16 ATOM 10043 C C . TYR A 1 23 ? 2.521 3.326 -14.557 1.00 0.00 ? 23 TYR A C 16 ATOM 10044 O O . TYR A 1 23 ? 1.980 2.264 -14.252 1.00 0.00 ? 23 TYR A O 16 ATOM 10045 C CB . TYR A 1 23 ? 4.726 3.573 -13.402 1.00 0.00 ? 23 TYR A CB 16 ATOM 10046 C CG . TYR A 1 23 ? 6.193 3.922 -13.513 1.00 0.00 ? 23 TYR A CG 16 ATOM 10047 C CD1 . TYR A 1 23 ? 7.047 3.172 -14.312 1.00 0.00 ? 23 TYR A CD1 16 ATOM 10048 C CD2 . TYR A 1 23 ? 6.725 5.002 -12.819 1.00 0.00 ? 23 TYR A CD2 16 ATOM 10049 C CE1 . TYR A 1 23 ? 8.388 3.487 -14.416 1.00 0.00 ? 23 TYR A CE1 16 ATOM 10050 C CE2 . TYR A 1 23 ? 8.064 5.325 -12.918 1.00 0.00 ? 23 TYR A CE2 16 ATOM 10051 C CZ . TYR A 1 23 ? 8.892 4.564 -13.717 1.00 0.00 ? 23 TYR A CZ 16 ATOM 10052 O OH . TYR A 1 23 ? 10.227 4.882 -13.819 1.00 0.00 ? 23 TYR A OH 16 ATOM 10053 H H . TYR A 1 23 ? 4.910 5.255 -15.291 1.00 0.00 ? 23 TYR A H 16 ATOM 10054 H HA . TYR A 1 23 ? 4.373 2.489 -15.212 1.00 0.00 ? 23 TYR A HA 16 ATOM 10055 H HB2 . TYR A 1 23 ? 4.239 4.362 -12.850 1.00 0.00 ? 23 TYR A HB2 16 ATOM 10056 H HB3 . TYR A 1 23 ? 4.645 2.650 -12.847 1.00 0.00 ? 23 TYR A HB3 16 ATOM 10057 H HD1 . TYR A 1 23 ? 6.649 2.329 -14.858 1.00 0.00 ? 23 TYR A HD1 16 ATOM 10058 H HD2 . TYR A 1 23 ? 6.074 5.596 -12.194 1.00 0.00 ? 23 TYR A HD2 16 ATOM 10059 H HE1 . TYR A 1 23 ? 9.036 2.891 -15.042 1.00 0.00 ? 23 TYR A HE1 16 ATOM 10060 H HE2 . TYR A 1 23 ? 8.460 6.168 -12.371 1.00 0.00 ? 23 TYR A HE2 16 ATOM 10061 H HH . TYR A 1 23 ? 10.385 5.735 -13.409 1.00 0.00 ? 23 TYR A HH 16 ATOM 10062 N N . MET A 1 24 ? 1.847 4.457 -14.735 1.00 0.00 ? 24 MET A N 16 ATOM 10063 C CA . MET A 1 24 ? 0.398 4.515 -14.578 1.00 0.00 ? 24 MET A CA 16 ATOM 10064 C C . MET A 1 24 ? -0.296 3.628 -15.607 1.00 0.00 ? 24 MET A C 16 ATOM 10065 O O . MET A 1 24 ? -1.236 2.903 -15.281 1.00 0.00 ? 24 MET A O 16 ATOM 10066 C CB . MET A 1 24 ? -0.094 5.957 -14.716 1.00 0.00 ? 24 MET A CB 16 ATOM 10067 C CG . MET A 1 24 ? 0.241 6.831 -13.518 1.00 0.00 ? 24 MET A CG 16 ATOM 10068 S SD . MET A 1 24 ? 1.860 7.612 -13.659 1.00 0.00 ? 24 MET A SD 16 ATOM 10069 C CE . MET A 1 24 ? 2.817 6.614 -12.520 1.00 0.00 ? 24 MET A CE 16 ATOM 10070 H H . MET A 1 24 ? 2.334 5.272 -14.977 1.00 0.00 ? 24 MET A H 16 ATOM 10071 H HA . MET A 1 24 ? 0.157 4.156 -13.589 1.00 0.00 ? 24 MET A HA 16 ATOM 10072 H HB2 . MET A 1 24 ? 0.358 6.397 -15.593 1.00 0.00 ? 24 MET A HB2 16 ATOM 10073 H HB3 . MET A 1 24 ? -1.167 5.949 -14.840 1.00 0.00 ? 24 MET A HB3 16 ATOM 10074 H HG2 . MET A 1 24 ? -0.509 7.604 -13.432 1.00 0.00 ? 24 MET A HG2 16 ATOM 10075 H HG3 . MET A 1 24 ? 0.227 6.218 -12.629 1.00 0.00 ? 24 MET A HG3 16 ATOM 10076 H HE1 . MET A 1 24 ? 2.570 6.888 -11.505 1.00 0.00 ? 24 MET A HE1 16 ATOM 10077 H HE2 . MET A 1 24 ? 2.588 5.570 -12.677 1.00 0.00 ? 24 MET A HE2 16 ATOM 10078 H HE3 . MET A 1 24 ? 3.870 6.781 -12.693 1.00 0.00 ? 24 MET A HE3 16 ATOM 10079 N N . TYR A 1 25 ? 0.173 3.691 -16.848 1.00 0.00 ? 25 TYR A N 16 ATOM 10080 C CA . TYR A 1 25 ? -0.405 2.895 -17.924 1.00 0.00 ? 25 TYR A CA 16 ATOM 10081 C C . TYR A 1 25 ? -0.147 1.408 -17.702 1.00 0.00 ? 25 TYR A C 16 ATOM 10082 O O . TYR A 1 25 ? -0.715 0.559 -18.387 1.00 0.00 ? 25 TYR A O 16 ATOM 10083 C CB . TYR A 1 25 ? 0.172 3.328 -19.273 1.00 0.00 ? 25 TYR A CB 16 ATOM 10084 C CG . TYR A 1 25 ? -0.457 4.587 -19.825 1.00 0.00 ? 25 TYR A CG 16 ATOM 10085 C CD1 . TYR A 1 25 ? -0.480 5.760 -19.080 1.00 0.00 ? 25 TYR A CD1 16 ATOM 10086 C CD2 . TYR A 1 25 ? -1.028 4.605 -21.091 1.00 0.00 ? 25 TYR A CD2 16 ATOM 10087 C CE1 . TYR A 1 25 ? -1.054 6.913 -19.579 1.00 0.00 ? 25 TYR A CE1 16 ATOM 10088 C CE2 . TYR A 1 25 ? -1.603 5.753 -21.600 1.00 0.00 ? 25 TYR A CE2 16 ATOM 10089 C CZ . TYR A 1 25 ? -1.614 6.905 -20.840 1.00 0.00 ? 25 TYR A CZ 16 ATOM 10090 O OH . TYR A 1 25 ? -2.187 8.050 -21.342 1.00 0.00 ? 25 TYR A OH 16 ATOM 10091 H H . TYR A 1 25 ? 0.924 4.288 -17.046 1.00 0.00 ? 25 TYR A H 16 ATOM 10092 H HA . TYR A 1 25 ? -1.471 3.067 -17.929 1.00 0.00 ? 25 TYR A HA 16 ATOM 10093 H HB2 . TYR A 1 25 ? 1.231 3.508 -19.163 1.00 0.00 ? 25 TYR A HB2 16 ATOM 10094 H HB3 . TYR A 1 25 ? 0.019 2.537 -19.993 1.00 0.00 ? 25 TYR A HB3 16 ATOM 10095 H HD1 . TYR A 1 25 ? -0.041 5.763 -18.093 1.00 0.00 ? 25 TYR A HD1 16 ATOM 10096 H HD2 . TYR A 1 25 ? -1.019 3.701 -21.683 1.00 0.00 ? 25 TYR A HD2 16 ATOM 10097 H HE1 . TYR A 1 25 ? -1.062 7.815 -18.985 1.00 0.00 ? 25 TYR A HE1 16 ATOM 10098 H HE2 . TYR A 1 25 ? -2.042 5.747 -22.586 1.00 0.00 ? 25 TYR A HE2 16 ATOM 10099 H HH . TYR A 1 25 ? -3.029 8.204 -20.908 1.00 0.00 ? 25 TYR A HH 16 ATOM 10100 N N . SER A 1 26 ? 0.714 1.102 -16.737 1.00 0.00 ? 26 SER A N 16 ATOM 10101 C CA . SER A 1 26 ? 1.051 -0.282 -16.424 1.00 0.00 ? 26 SER A CA 16 ATOM 10102 C C . SER A 1 26 ? 0.048 -0.876 -15.441 1.00 0.00 ? 26 SER A C 16 ATOM 10103 O O . SER A 1 26 ? 0.396 -1.720 -14.614 1.00 0.00 ? 26 SER A O 16 ATOM 10104 C CB . SER A 1 26 ? 2.464 -0.366 -15.842 1.00 0.00 ? 26 SER A CB 16 ATOM 10105 O OG . SER A 1 26 ? 2.943 -1.700 -15.857 1.00 0.00 ? 26 SER A OG 16 ATOM 10106 H H . SER A 1 26 ? 1.135 1.824 -16.225 1.00 0.00 ? 26 SER A H 16 ATOM 10107 H HA . SER A 1 26 ? 1.016 -0.848 -17.343 1.00 0.00 ? 26 SER A HA 16 ATOM 10108 H HB2 . SER A 1 26 ? 3.129 0.249 -16.429 1.00 0.00 ? 26 SER A HB2 16 ATOM 10109 H HB3 . SER A 1 26 ? 2.451 -0.011 -14.822 1.00 0.00 ? 26 SER A HB3 16 ATOM 10110 H HG . SER A 1 26 ? 3.273 -1.912 -16.733 1.00 0.00 ? 26 SER A HG 16 ATOM 10111 N N . HIS A 1 27 ? -1.201 -0.430 -15.536 1.00 0.00 ? 27 HIS A N 16 ATOM 10112 C CA . HIS A 1 27 ? -2.256 -0.918 -14.656 1.00 0.00 ? 27 HIS A CA 16 ATOM 10113 C C . HIS A 1 27 ? -1.868 -0.741 -13.191 1.00 0.00 ? 27 HIS A C 16 ATOM 10114 O O . HIS A 1 27 ? -1.903 -1.692 -12.410 1.00 0.00 ? 27 HIS A O 16 ATOM 10115 C CB . HIS A 1 27 ? -2.550 -2.391 -14.944 1.00 0.00 ? 27 HIS A CB 16 ATOM 10116 C CG . HIS A 1 27 ? -3.507 -2.601 -16.076 1.00 0.00 ? 27 HIS A CG 16 ATOM 10117 N ND1 . HIS A 1 27 ? -4.649 -1.846 -16.246 1.00 0.00 ? 27 HIS A ND1 16 ATOM 10118 C CD2 . HIS A 1 27 ? -3.488 -3.486 -17.099 1.00 0.00 ? 27 HIS A CD2 16 ATOM 10119 C CE1 . HIS A 1 27 ? -5.291 -2.259 -17.324 1.00 0.00 ? 27 HIS A CE1 16 ATOM 10120 N NE2 . HIS A 1 27 ? -4.607 -3.253 -17.861 1.00 0.00 ? 27 HIS A NE2 16 ATOM 10121 H H . HIS A 1 27 ? -1.417 0.242 -16.215 1.00 0.00 ? 27 HIS A H 16 ATOM 10122 H HA . HIS A 1 27 ? -3.146 -0.338 -14.852 1.00 0.00 ? 27 HIS A HA 16 ATOM 10123 H HB2 . HIS A 1 27 ? -1.626 -2.892 -15.194 1.00 0.00 ? 27 HIS A HB2 16 ATOM 10124 H HB3 . HIS A 1 27 ? -2.974 -2.846 -14.060 1.00 0.00 ? 27 HIS A HB3 16 ATOM 10125 H HD1 . HIS A 1 27 ? -4.945 -1.117 -15.662 1.00 0.00 ? 27 HIS A HD1 16 ATOM 10126 H HD2 . HIS A 1 27 ? -2.733 -4.237 -17.284 1.00 0.00 ? 27 HIS A HD2 16 ATOM 10127 H HE1 . HIS A 1 27 ? -6.217 -1.853 -17.703 1.00 0.00 ? 27 HIS A HE1 16 ATOM 10128 N N . CYS A 1 28 ? -1.495 0.481 -12.827 1.00 0.00 ? 28 CYS A N 16 ATOM 10129 C CA . CYS A 1 28 ? -1.098 0.784 -11.457 1.00 0.00 ? 28 CYS A CA 16 ATOM 10130 C C . CYS A 1 28 ? -2.049 1.797 -10.826 1.00 0.00 ? 28 CYS A C 16 ATOM 10131 O O . CYS A 1 28 ? -2.123 1.917 -9.603 1.00 0.00 ? 28 CYS A O 16 ATOM 10132 C CB . CYS A 1 28 ? 0.333 1.322 -11.426 1.00 0.00 ? 28 CYS A CB 16 ATOM 10133 S SG . CYS A 1 28 ? 1.295 0.794 -9.971 1.00 0.00 ? 28 CYS A SG 16 ATOM 10134 H H . CYS A 1 28 ? -1.487 1.199 -13.496 1.00 0.00 ? 28 CYS A H 16 ATOM 10135 H HA . CYS A 1 28 ? -1.141 -0.133 -10.889 1.00 0.00 ? 28 CYS A HA 16 ATOM 10136 H HB2 . CYS A 1 28 ? 0.857 0.981 -12.306 1.00 0.00 ? 28 CYS A HB2 16 ATOM 10137 H HB3 . CYS A 1 28 ? 0.304 2.402 -11.426 1.00 0.00 ? 28 CYS A HB3 16 ATOM 10138 N N . PHE A 1 29 ? -2.774 2.524 -11.669 1.00 0.00 ? 29 PHE A N 16 ATOM 10139 C CA . PHE A 1 29 ? -3.720 3.528 -11.195 1.00 0.00 ? 29 PHE A CA 16 ATOM 10140 C C . PHE A 1 29 ? -5.143 3.176 -11.617 1.00 0.00 ? 29 PHE A C 16 ATOM 10141 O O . PHE A 1 29 ? -6.110 3.556 -10.957 1.00 0.00 ? 29 PHE A O 16 ATOM 10142 C CB . PHE A 1 29 ? -3.343 4.909 -11.735 1.00 0.00 ? 29 PHE A CB 16 ATOM 10143 C CG . PHE A 1 29 ? -2.228 5.567 -10.972 1.00 0.00 ? 29 PHE A CG 16 ATOM 10144 C CD1 . PHE A 1 29 ? -1.013 4.924 -10.803 1.00 0.00 ? 29 PHE A CD1 16 ATOM 10145 C CD2 . PHE A 1 29 ? -2.396 6.828 -10.423 1.00 0.00 ? 29 PHE A CD2 16 ATOM 10146 C CE1 . PHE A 1 29 ? 0.015 5.526 -10.102 1.00 0.00 ? 29 PHE A CE1 16 ATOM 10147 C CE2 . PHE A 1 29 ? -1.372 7.436 -9.722 1.00 0.00 ? 29 PHE A CE2 16 ATOM 10148 C CZ . PHE A 1 29 ? -0.166 6.783 -9.560 1.00 0.00 ? 29 PHE A CZ 16 ATOM 10149 H H . PHE A 1 29 ? -2.671 2.382 -12.634 1.00 0.00 ? 29 PHE A H 16 ATOM 10150 H HA . PHE A 1 29 ? -3.670 3.546 -10.118 1.00 0.00 ? 29 PHE A HA 16 ATOM 10151 H HB2 . PHE A 1 29 ? -3.028 4.813 -12.763 1.00 0.00 ? 29 PHE A HB2 16 ATOM 10152 H HB3 . PHE A 1 29 ? -4.206 5.555 -11.686 1.00 0.00 ? 29 PHE A HB3 16 ATOM 10153 H HD1 . PHE A 1 29 ? -0.871 3.939 -11.227 1.00 0.00 ? 29 PHE A HD1 16 ATOM 10154 H HD2 . PHE A 1 29 ? -3.340 7.339 -10.548 1.00 0.00 ? 29 PHE A HD2 16 ATOM 10155 H HE1 . PHE A 1 29 ? 0.957 5.013 -9.978 1.00 0.00 ? 29 PHE A HE1 16 ATOM 10156 H HE2 . PHE A 1 29 ? -1.516 8.419 -9.299 1.00 0.00 ? 29 PHE A HE2 16 ATOM 10157 H HZ . PHE A 1 29 ? 0.636 7.256 -9.013 1.00 0.00 ? 29 PHE A HZ 16 ATOM 10158 N N . GLY A 1 30 ? -5.264 2.448 -12.723 1.00 0.00 ? 30 GLY A N 16 ATOM 10159 C CA . GLY A 1 30 ? -6.572 2.057 -13.215 1.00 0.00 ? 30 GLY A CA 16 ATOM 10160 C C . GLY A 1 30 ? -7.088 2.989 -14.294 1.00 0.00 ? 30 GLY A C 16 ATOM 10161 O O . GLY A 1 30 ? -8.297 3.132 -14.475 1.00 0.00 ? 30 GLY A O 16 ATOM 10162 H H . GLY A 1 30 ? -4.458 2.173 -13.208 1.00 0.00 ? 30 GLY A H 16 ATOM 10163 H HA2 . GLY A 1 30 ? -6.510 1.057 -13.616 1.00 0.00 ? 30 GLY A HA2 16 ATOM 10164 H HA3 . GLY A 1 30 ? -7.270 2.060 -12.390 1.00 0.00 ? 30 GLY A HA3 16 ATOM 10165 N N . VAL A 1 31 ? -6.168 3.626 -15.012 1.00 0.00 ? 31 VAL A N 16 ATOM 10166 C CA . VAL A 1 31 ? -6.536 4.549 -16.079 1.00 0.00 ? 31 VAL A CA 16 ATOM 10167 C C . VAL A 1 31 ? -6.416 3.885 -17.446 1.00 0.00 ? 31 VAL A C 16 ATOM 10168 O O . VAL A 1 31 ? -7.188 4.177 -18.360 1.00 0.00 ? 31 VAL A O 16 ATOM 10169 C CB . VAL A 1 31 ? -5.656 5.813 -16.056 1.00 0.00 ? 31 VAL A CB 16 ATOM 10170 C CG1 . VAL A 1 31 ? -5.828 6.559 -14.741 1.00 0.00 ? 31 VAL A CG1 16 ATOM 10171 C CG2 . VAL A 1 31 ? -4.197 5.450 -16.285 1.00 0.00 ? 31 VAL A CG2 16 ATOM 10172 H H . VAL A 1 31 ? -5.220 3.470 -14.821 1.00 0.00 ? 31 VAL A H 16 ATOM 10173 H HA . VAL A 1 31 ? -7.563 4.847 -15.923 1.00 0.00 ? 31 VAL A HA 16 ATOM 10174 H HB . VAL A 1 31 ? -5.974 6.463 -16.858 1.00 0.00 ? 31 VAL A HB 16 ATOM 10175 H HG11 . VAL A 1 31 ? -6.171 5.873 -13.981 1.00 0.00 ? 31 VAL A HG11 16 ATOM 10176 H HG12 . VAL A 1 31 ? -4.882 6.987 -14.443 1.00 0.00 ? 31 VAL A HG12 16 ATOM 10177 H HG13 . VAL A 1 31 ? -6.556 7.348 -14.868 1.00 0.00 ? 31 VAL A HG13 16 ATOM 10178 H HG21 . VAL A 1 31 ? -3.935 5.642 -17.315 1.00 0.00 ? 31 VAL A HG21 16 ATOM 10179 H HG22 . VAL A 1 31 ? -3.572 6.047 -15.637 1.00 0.00 ? 31 VAL A HG22 16 ATOM 10180 H HG23 . VAL A 1 31 ? -4.047 4.403 -16.065 1.00 0.00 ? 31 VAL A HG23 16 ATOM 10181 N N . LYS A 1 32 ? -5.444 2.990 -17.580 1.00 0.00 ? 32 LYS A N 16 ATOM 10182 C CA . LYS A 1 32 ? -5.222 2.281 -18.835 1.00 0.00 ? 32 LYS A CA 16 ATOM 10183 C C . LYS A 1 32 ? -6.502 1.597 -19.306 1.00 0.00 ? 32 LYS A C 16 ATOM 10184 O O . LYS A 1 32 ? -7.050 0.739 -18.614 1.00 0.00 ? 32 LYS A O 16 ATOM 10185 C CB . LYS A 1 32 ? -4.109 1.245 -18.669 1.00 0.00 ? 32 LYS A CB 16 ATOM 10186 C CG . LYS A 1 32 ? -4.046 0.233 -19.801 1.00 0.00 ? 32 LYS A CG 16 ATOM 10187 C CD . LYS A 1 32 ? -3.876 0.914 -21.148 1.00 0.00 ? 32 LYS A CD 16 ATOM 10188 C CE . LYS A 1 32 ? -2.550 1.654 -21.236 1.00 0.00 ? 32 LYS A CE 16 ATOM 10189 N NZ . LYS A 1 32 ? -1.664 1.082 -22.287 1.00 0.00 ? 32 LYS A NZ 16 ATOM 10190 H H . LYS A 1 32 ? -4.861 2.800 -16.814 1.00 0.00 ? 32 LYS A H 16 ATOM 10191 H HA . LYS A 1 32 ? -4.921 3.006 -19.576 1.00 0.00 ? 32 LYS A HA 16 ATOM 10192 H HB2 . LYS A 1 32 ? -3.160 1.758 -18.620 1.00 0.00 ? 32 LYS A HB2 16 ATOM 10193 H HB3 . LYS A 1 32 ? -4.266 0.709 -17.744 1.00 0.00 ? 32 LYS A HB3 16 ATOM 10194 H HG2 . LYS A 1 32 ? -3.208 -0.427 -19.635 1.00 0.00 ? 32 LYS A HG2 16 ATOM 10195 H HG3 . LYS A 1 32 ? -4.962 -0.340 -19.810 1.00 0.00 ? 32 LYS A HG3 16 ATOM 10196 H HD2 . LYS A 1 32 ? -3.910 0.166 -21.927 1.00 0.00 ? 32 LYS A HD2 16 ATOM 10197 H HD3 . LYS A 1 32 ? -4.682 1.620 -21.290 1.00 0.00 ? 32 LYS A HD3 16 ATOM 10198 H HE2 . LYS A 1 32 ? -2.745 2.690 -21.467 1.00 0.00 ? 32 LYS A HE2 16 ATOM 10199 H HE3 . LYS A 1 32 ? -2.052 1.586 -20.280 1.00 0.00 ? 32 LYS A HE3 16 ATOM 10200 H HZ1 . LYS A 1 32 ? -1.150 1.843 -22.775 1.00 0.00 ? 32 LYS A HZ1 16 ATOM 10201 H HZ2 . LYS A 1 32 ? -2.230 0.557 -22.984 1.00 0.00 ? 32 LYS A HZ2 16 ATOM 10202 H HZ3 . LYS A 1 32 ? -0.974 0.433 -21.858 1.00 0.00 ? 32 LYS A HZ3 16 ATOM 10203 N N . HIS A 1 33 ? -6.971 1.982 -20.489 1.00 0.00 ? 33 HIS A N 16 ATOM 10204 C CA . HIS A 1 33 ? -8.185 1.404 -21.054 1.00 0.00 ? 33 HIS A CA 16 ATOM 10205 C C . HIS A 1 33 ? -7.958 -0.049 -21.459 1.00 0.00 ? 33 HIS A C 16 ATOM 10206 O O . HIS A 1 33 ? -6.826 -0.464 -21.708 1.00 0.00 ? 33 HIS A O 16 ATOM 10207 C CB . HIS A 1 33 ? -8.647 2.217 -22.264 1.00 0.00 ? 33 HIS A CB 16 ATOM 10208 C CG . HIS A 1 33 ? -9.277 3.526 -21.901 1.00 0.00 ? 33 HIS A CG 16 ATOM 10209 N ND1 . HIS A 1 33 ? -8.607 4.729 -21.972 1.00 0.00 ? 33 HIS A ND1 16 ATOM 10210 C CD2 . HIS A 1 33 ? -10.525 3.817 -21.465 1.00 0.00 ? 33 HIS A CD2 16 ATOM 10211 C CE1 . HIS A 1 33 ? -9.414 5.703 -21.592 1.00 0.00 ? 33 HIS A CE1 16 ATOM 10212 N NE2 . HIS A 1 33 ? -10.585 5.176 -21.280 1.00 0.00 ? 33 HIS A NE2 16 ATOM 10213 H H . HIS A 1 33 ? -6.490 2.670 -20.993 1.00 0.00 ? 33 HIS A H 16 ATOM 10214 H HA . HIS A 1 33 ? -8.953 1.437 -20.296 1.00 0.00 ? 33 HIS A HA 16 ATOM 10215 H HB2 . HIS A 1 33 ? -7.796 2.423 -22.897 1.00 0.00 ? 33 HIS A HB2 16 ATOM 10216 H HB3 . HIS A 1 33 ? -9.372 1.641 -22.821 1.00 0.00 ? 33 HIS A HB3 16 ATOM 10217 H HD1 . HIS A 1 33 ? -7.677 4.850 -22.256 1.00 0.00 ? 33 HIS A HD1 16 ATOM 10218 H HD2 . HIS A 1 33 ? -11.326 3.111 -21.293 1.00 0.00 ? 33 HIS A HD2 16 ATOM 10219 H HE1 . HIS A 1 33 ? -9.162 6.752 -21.546 1.00 0.00 ? 33 HIS A HE1 16 ATOM 10220 N N . SER A 1 34 ? -9.040 -0.818 -21.522 1.00 0.00 ? 34 SER A N 16 ATOM 10221 C CA . SER A 1 34 ? -8.958 -2.226 -21.893 1.00 0.00 ? 34 SER A CA 16 ATOM 10222 C C . SER A 1 34 ? -8.580 -2.380 -23.363 1.00 0.00 ? 34 SER A C 16 ATOM 10223 O O . SER A 1 34 ? -9.389 -2.119 -24.253 1.00 0.00 ? 34 SER A O 16 ATOM 10224 C CB . SER A 1 34 ? -10.291 -2.925 -21.621 1.00 0.00 ? 34 SER A CB 16 ATOM 10225 O OG . SER A 1 34 ? -11.365 -2.229 -22.229 1.00 0.00 ? 34 SER A OG 16 ATOM 10226 H H . SER A 1 34 ? -9.915 -0.428 -21.312 1.00 0.00 ? 34 SER A H 16 ATOM 10227 H HA . SER A 1 34 ? -8.191 -2.683 -21.286 1.00 0.00 ? 34 SER A HA 16 ATOM 10228 H HB2 . SER A 1 34 ? -10.256 -3.928 -22.019 1.00 0.00 ? 34 SER A HB2 16 ATOM 10229 H HB3 . SER A 1 34 ? -10.462 -2.966 -20.555 1.00 0.00 ? 34 SER A HB3 16 ATOM 10230 H HG . SER A 1 34 ? -12.198 -2.581 -21.906 1.00 0.00 ? 34 SER A HG 16 ATOM 10231 N N . SER A 1 35 ? -7.345 -2.805 -23.609 1.00 0.00 ? 35 SER A N 16 ATOM 10232 C CA . SER A 1 35 ? -6.858 -2.990 -24.971 1.00 0.00 ? 35 SER A CA 16 ATOM 10233 C C . SER A 1 35 ? -7.795 -3.895 -25.765 1.00 0.00 ? 35 SER A C 16 ATOM 10234 O O . SER A 1 35 ? -8.611 -4.617 -25.193 1.00 0.00 ? 35 SER A O 16 ATOM 10235 C CB . SER A 1 35 ? -5.449 -3.586 -24.954 1.00 0.00 ? 35 SER A CB 16 ATOM 10236 O OG . SER A 1 35 ? -4.676 -3.037 -23.900 1.00 0.00 ? 35 SER A OG 16 ATOM 10237 H H . SER A 1 35 ? -6.747 -2.996 -22.856 1.00 0.00 ? 35 SER A H 16 ATOM 10238 H HA . SER A 1 35 ? -6.824 -2.021 -25.445 1.00 0.00 ? 35 SER A HA 16 ATOM 10239 H HB2 . SER A 1 35 ? -5.514 -4.655 -24.817 1.00 0.00 ? 35 SER A HB2 16 ATOM 10240 H HB3 . SER A 1 35 ? -4.959 -3.373 -25.893 1.00 0.00 ? 35 SER A HB3 16 ATOM 10241 H HG . SER A 1 35 ? -3.950 -3.631 -23.692 1.00 0.00 ? 35 SER A HG 16 ATOM 10242 N N . GLY A 1 36 ? -7.672 -3.849 -27.088 1.00 0.00 ? 36 GLY A N 16 ATOM 10243 C CA . GLY A 1 36 ? -8.513 -4.668 -27.940 1.00 0.00 ? 36 GLY A CA 16 ATOM 10244 C C . GLY A 1 36 ? -7.947 -6.059 -28.150 1.00 0.00 ? 36 GLY A C 16 ATOM 10245 O O . GLY A 1 36 ? -8.292 -6.992 -27.428 1.00 0.00 ? 36 GLY A O 16 ATOM 10246 H H . GLY A 1 36 ? -7.004 -3.254 -27.488 1.00 0.00 ? 36 GLY A H 16 ATOM 10247 H HA2 . GLY A 1 36 ? -9.490 -4.753 -27.489 1.00 0.00 ? 36 GLY A HA2 16 ATOM 10248 H HA3 . GLY A 1 36 ? -8.613 -4.184 -28.901 1.00 0.00 ? 36 GLY A HA3 16 ATOM 10249 N N . GLY A 1 37 ? -7.076 -6.197 -29.145 1.00 0.00 ? 37 GLY A N 16 ATOM 10250 C CA . GLY A 1 37 ? -6.476 -7.487 -29.431 1.00 0.00 ? 37 GLY A CA 16 ATOM 10251 C C . GLY A 1 37 ? -5.068 -7.607 -28.882 1.00 0.00 ? 37 GLY A C 16 ATOM 10252 O O . GLY A 1 37 ? -4.307 -6.641 -28.890 1.00 0.00 ? 37 GLY A O 16 ATOM 10253 H H . GLY A 1 37 ? -6.838 -5.417 -29.688 1.00 0.00 ? 37 GLY A H 16 ATOM 10254 H HA2 . GLY A 1 37 ? -7.089 -8.262 -28.995 1.00 0.00 ? 37 GLY A HA2 16 ATOM 10255 H HA3 . GLY A 1 37 ? -6.445 -7.627 -30.502 1.00 0.00 ? 37 GLY A HA3 16 ATOM 10256 N N . GLY A 1 38 ? -4.721 -8.798 -28.402 1.00 0.00 ? 38 GLY A N 16 ATOM 10257 C CA . GLY A 1 38 ? -3.396 -9.018 -27.852 1.00 0.00 ? 38 GLY A CA 16 ATOM 10258 C C . GLY A 1 38 ? -2.506 -9.815 -28.784 1.00 0.00 ? 38 GLY A C 16 ATOM 10259 O O . GLY A 1 38 ? -2.991 -10.613 -29.585 1.00 0.00 ? 38 GLY A O 16 ATOM 10260 H H . GLY A 1 38 ? -5.370 -9.532 -28.422 1.00 0.00 ? 38 GLY A H 16 ATOM 10261 H HA2 . GLY A 1 38 ? -2.934 -8.061 -27.660 1.00 0.00 ? 38 GLY A HA2 16 ATOM 10262 H HA3 . GLY A 1 38 ? -3.492 -9.553 -26.918 1.00 0.00 ? 38 GLY A HA3 16 ATOM 10263 N N . GLY A 1 39 ? -1.198 -9.597 -28.682 1.00 0.00 ? 39 GLY A N 16 ATOM 10264 C CA . GLY A 1 39 ? -0.259 -10.308 -29.530 1.00 0.00 ? 39 GLY A CA 16 ATOM 10265 C C . GLY A 1 39 ? 0.961 -10.787 -28.769 1.00 0.00 ? 39 GLY A C 16 ATOM 10266 O O . GLY A 1 39 ? 2.090 -10.427 -29.102 1.00 0.00 ? 39 GLY A O 16 ATOM 10267 H H . GLY A 1 39 ? -0.869 -8.949 -28.025 1.00 0.00 ? 39 GLY A H 16 ATOM 10268 H HA2 . GLY A 1 39 ? -0.758 -11.161 -29.965 1.00 0.00 ? 39 GLY A HA2 16 ATOM 10269 H HA3 . GLY A 1 39 ? 0.062 -9.648 -30.323 1.00 0.00 ? 39 GLY A HA3 16 ATOM 10270 N N . SER A 1 40 ? 0.734 -11.602 -27.744 1.00 0.00 ? 40 SER A N 16 ATOM 10271 C CA . SER A 1 40 ? 1.824 -12.127 -26.930 1.00 0.00 ? 40 SER A CA 16 ATOM 10272 C C . SER A 1 40 ? 2.216 -13.529 -27.386 1.00 0.00 ? 40 SER A C 16 ATOM 10273 O O . SER A 1 40 ? 1.447 -14.480 -27.238 1.00 0.00 ? 40 SER A O 16 ATOM 10274 C CB . SER A 1 40 ? 1.421 -12.153 -25.454 1.00 0.00 ? 40 SER A CB 16 ATOM 10275 O OG . SER A 1 40 ? 0.107 -12.660 -25.294 1.00 0.00 ? 40 SER A OG 16 ATOM 10276 H H . SER A 1 40 ? -0.188 -11.853 -27.528 1.00 0.00 ? 40 SER A H 16 ATOM 10277 H HA . SER A 1 40 ? 2.674 -11.472 -27.050 1.00 0.00 ? 40 SER A HA 16 ATOM 10278 H HB2 . SER A 1 40 ? 2.106 -12.782 -24.907 1.00 0.00 ? 40 SER A HB2 16 ATOM 10279 H HB3 . SER A 1 40 ? 1.457 -11.149 -25.056 1.00 0.00 ? 40 SER A HB3 16 ATOM 10280 H HG . SER A 1 40 ? -0.529 -11.966 -25.477 1.00 0.00 ? 40 SER A HG 16 ATOM 10281 N N . TYR A 1 41 ? 3.417 -13.650 -27.941 1.00 0.00 ? 41 TYR A N 16 ATOM 10282 C CA . TYR A 1 41 ? 3.911 -14.935 -28.422 1.00 0.00 ? 41 TYR A CA 16 ATOM 10283 C C . TYR A 1 41 ? 5.375 -15.132 -28.043 1.00 0.00 ? 41 TYR A C 16 ATOM 10284 O O . TYR A 1 41 ? 6.091 -14.170 -27.762 1.00 0.00 ? 41 TYR A O 16 ATOM 10285 C CB . TYR A 1 41 ? 3.748 -15.032 -29.940 1.00 0.00 ? 41 TYR A CB 16 ATOM 10286 C CG . TYR A 1 41 ? 3.557 -16.447 -30.439 1.00 0.00 ? 41 TYR A CG 16 ATOM 10287 C CD1 . TYR A 1 41 ? 4.649 -17.242 -30.765 1.00 0.00 ? 41 TYR A CD1 16 ATOM 10288 C CD2 . TYR A 1 41 ? 2.286 -16.987 -30.584 1.00 0.00 ? 41 TYR A CD2 16 ATOM 10289 C CE1 . TYR A 1 41 ? 4.479 -18.535 -31.222 1.00 0.00 ? 41 TYR A CE1 16 ATOM 10290 C CE2 . TYR A 1 41 ? 2.107 -18.280 -31.039 1.00 0.00 ? 41 TYR A CE2 16 ATOM 10291 C CZ . TYR A 1 41 ? 3.207 -19.049 -31.357 1.00 0.00 ? 41 TYR A CZ 16 ATOM 10292 O OH . TYR A 1 41 ? 3.034 -20.336 -31.811 1.00 0.00 ? 41 TYR A OH 16 ATOM 10293 H H . TYR A 1 41 ? 3.984 -12.856 -28.031 1.00 0.00 ? 41 TYR A H 16 ATOM 10294 H HA . TYR A 1 41 ? 3.323 -15.712 -27.956 1.00 0.00 ? 41 TYR A HA 16 ATOM 10295 H HB2 . TYR A 1 41 ? 2.886 -14.456 -30.240 1.00 0.00 ? 41 TYR A HB2 16 ATOM 10296 H HB3 . TYR A 1 41 ? 4.629 -14.627 -30.416 1.00 0.00 ? 41 TYR A HB3 16 ATOM 10297 H HD1 . TYR A 1 41 ? 5.644 -16.836 -30.657 1.00 0.00 ? 41 TYR A HD1 16 ATOM 10298 H HD2 . TYR A 1 41 ? 1.426 -16.382 -30.334 1.00 0.00 ? 41 TYR A HD2 16 ATOM 10299 H HE1 . TYR A 1 41 ? 5.340 -19.137 -31.470 1.00 0.00 ? 41 TYR A HE1 16 ATOM 10300 H HE2 . TYR A 1 41 ? 1.110 -18.683 -31.145 1.00 0.00 ? 41 TYR A HE2 16 ATOM 10301 H HH . TYR A 1 41 ? 3.392 -20.414 -32.698 1.00 0.00 ? 41 TYR A HH 16 ATOM 10302 N N . HIS A 1 42 ? 5.815 -16.386 -28.038 1.00 0.00 ? 42 HIS A N 16 ATOM 10303 C CA . HIS A 1 42 ? 7.195 -16.711 -27.695 1.00 0.00 ? 42 HIS A CA 16 ATOM 10304 C C . HIS A 1 42 ? 8.054 -16.827 -28.951 1.00 0.00 ? 42 HIS A C 16 ATOM 10305 O O . HIS A 1 42 ? 8.920 -17.698 -29.045 1.00 0.00 ? 42 HIS A O 16 ATOM 10306 C CB . HIS A 1 42 ? 7.252 -18.017 -26.902 1.00 0.00 ? 42 HIS A CB 16 ATOM 10307 C CG . HIS A 1 42 ? 6.761 -17.883 -25.493 1.00 0.00 ? 42 HIS A CG 16 ATOM 10308 N ND1 . HIS A 1 42 ? 7.543 -17.396 -24.467 1.00 0.00 ? 42 HIS A ND1 16 ATOM 10309 C CD2 . HIS A 1 42 ? 5.560 -18.175 -24.942 1.00 0.00 ? 42 HIS A CD2 16 ATOM 10310 C CE1 . HIS A 1 42 ? 6.844 -17.395 -23.346 1.00 0.00 ? 42 HIS A CE1 16 ATOM 10311 N NE2 . HIS A 1 42 ? 5.637 -17.863 -23.607 1.00 0.00 ? 42 HIS A NE2 16 ATOM 10312 H H . HIS A 1 42 ? 5.198 -17.110 -28.271 1.00 0.00 ? 42 HIS A H 16 ATOM 10313 H HA . HIS A 1 42 ? 7.582 -15.911 -27.083 1.00 0.00 ? 42 HIS A HA 16 ATOM 10314 H HB2 . HIS A 1 42 ? 6.641 -18.757 -27.396 1.00 0.00 ? 42 HIS A HB2 16 ATOM 10315 H HB3 . HIS A 1 42 ? 8.274 -18.365 -26.866 1.00 0.00 ? 42 HIS A HB3 16 ATOM 10316 H HD1 . HIS A 1 42 ? 8.473 -17.097 -24.548 1.00 0.00 ? 42 HIS A HD1 16 ATOM 10317 H HD2 . HIS A 1 42 ? 4.699 -18.578 -25.457 1.00 0.00 ? 42 HIS A HD2 16 ATOM 10318 H HE1 . HIS A 1 42 ? 7.199 -17.068 -22.380 1.00 0.00 ? 42 HIS A HE1 16 ATOM 10319 N N . CYS A 1 43 ? 7.808 -15.945 -29.914 1.00 0.00 ? 43 CYS A N 16 ATOM 10320 C CA . CYS A 1 43 ? 8.558 -15.949 -31.164 1.00 0.00 ? 43 CYS A CA 16 ATOM 10321 C C . CYS A 1 43 ? 9.813 -15.089 -31.049 1.00 0.00 ? 43 CYS A C 16 ATOM 10322 O O . CYS A 1 43 ? 10.834 -15.430 -31.644 1.00 0.00 ? 43 CYS A O 16 ATOM 10323 C CB . CYS A 1 43 ? 7.681 -15.440 -32.310 1.00 0.00 ? 43 CYS A CB 16 ATOM 10324 S SG . CYS A 1 43 ? 8.564 -15.242 -33.891 1.00 0.00 ? 43 CYS A SG 16 ATOM 10325 H H . CYS A 1 43 ? 7.105 -15.275 -29.780 1.00 0.00 ? 43 CYS A H 16 ATOM 10326 H HA . CYS A 1 43 ? 8.851 -16.967 -31.372 1.00 0.00 ? 43 CYS A HA 16 ATOM 10327 H HB2 . CYS A 1 43 ? 6.872 -16.138 -32.472 1.00 0.00 ? 43 CYS A HB2 16 ATOM 10328 H HB3 . CYS A 1 43 ? 7.270 -14.478 -32.039 1.00 0.00 ? 43 CYS A HB3 16 HETATM 10329 C C1 . NAG B 2 . ? 6.009 19.155 -20.642 1.00 0.00 ? 101 NAG A C1 16 HETATM 10330 C C2 . NAG B 2 . ? 6.250 20.356 -19.727 1.00 0.00 ? 101 NAG A C2 16 HETATM 10331 C C3 . NAG B 2 . ? 6.711 21.547 -20.573 1.00 0.00 ? 101 NAG A C3 16 HETATM 10332 C C4 . NAG B 2 . ? 7.917 21.113 -21.414 1.00 0.00 ? 101 NAG A C4 16 HETATM 10333 C C5 . NAG B 2 . ? 7.550 19.854 -22.202 1.00 0.00 ? 101 NAG A C5 16 HETATM 10334 C C6 . NAG B 2 . ? 8.739 19.433 -23.068 1.00 0.00 ? 101 NAG A C6 16 HETATM 10335 C C7 . NAG B 2 . ? 4.723 20.142 -17.840 1.00 0.00 ? 101 NAG A C7 16 HETATM 10336 C C8 . NAG B 2 . ? 3.445 20.497 -17.126 1.00 0.00 ? 101 NAG A C8 16 HETATM 10337 N N2 . NAG B 2 . ? 5.007 20.701 -19.033 1.00 0.00 ? 101 NAG A N2 16 HETATM 10338 O O3 . NAG B 2 . ? 7.086 22.632 -19.723 1.00 0.00 ? 101 NAG A O3 16 HETATM 10339 O O4 . NAG B 2 . ? 8.272 22.157 -22.321 1.00 0.00 ? 101 NAG A O4 16 HETATM 10340 O O5 . NAG B 2 . ? 7.222 18.798 -21.300 1.00 0.00 ? 101 NAG A O5 16 HETATM 10341 O O6 . NAG B 2 . ? 8.396 18.260 -23.809 1.00 0.00 ? 101 NAG A O6 16 HETATM 10342 O O7 . NAG B 2 . ? 5.496 19.353 -17.341 1.00 0.00 ? 101 NAG A O7 16 HETATM 10343 H H1 . NAG B 2 . ? 5.251 19.418 -21.394 1.00 0.00 ? 101 NAG A H1 16 HETATM 10344 H H2 . NAG B 2 . ? 7.022 20.106 -18.984 1.00 0.00 ? 101 NAG A H2 16 HETATM 10345 H H3 . NAG B 2 . ? 5.891 21.876 -21.229 1.00 0.00 ? 101 NAG A H3 16 HETATM 10346 H H4 . NAG B 2 . ? 8.771 20.903 -20.753 1.00 0.00 ? 101 NAG A H4 16 HETATM 10347 H H5 . NAG B 2 . ? 6.681 20.066 -22.843 1.00 0.00 ? 101 NAG A H5 16 HETATM 10348 H H61 . NAG B 2 . ? 9.013 20.248 -23.755 1.00 0.00 ? 101 NAG A H61 16 HETATM 10349 H H62 . NAG B 2 . ? 9.617 19.237 -22.435 1.00 0.00 ? 101 NAG A H62 16 HETATM 10350 H H81 . NAG B 2 . ? 3.353 21.591 -17.059 1.00 0.00 ? 101 NAG A H81 16 HETATM 10351 H H82 . NAG B 2 . ? 2.588 20.091 -17.684 1.00 0.00 ? 101 NAG A H82 16 HETATM 10352 H H83 . NAG B 2 . ? 3.458 20.068 -16.113 1.00 0.00 ? 101 NAG A H83 16 HETATM 10353 H HN2 . NAG B 2 . ? 4.370 21.352 -19.444 1.00 0.00 ? 101 NAG A HN2 16 HETATM 10354 H HO3 . NAG B 2 . ? 7.387 23.405 -20.282 1.00 0.00 ? 101 NAG A HO3 16 HETATM 10355 H HO4 . NAG B 2 . ? 9.256 22.125 -22.499 1.00 0.00 ? 101 NAG A HO4 16 HETATM 10356 H HO6 . NAG B 2 . ? 7.811 17.672 -23.251 1.00 0.00 ? 101 NAG A HO6 16 HETATM 10357 C C1 . NAG C 2 . ? 9.813 -14.752 -35.358 1.00 0.00 ? 102 NAG A C1 16 HETATM 10358 C C2 . NAG C 2 . ? 10.477 -14.661 -36.732 1.00 0.00 ? 102 NAG A C2 16 HETATM 10359 C C3 . NAG C 2 . ? 11.918 -14.169 -36.561 1.00 0.00 ? 102 NAG A C3 16 HETATM 10360 C C4 . NAG C 2 . ? 11.899 -12.865 -35.756 1.00 0.00 ? 102 NAG A C4 16 HETATM 10361 C C5 . NAG C 2 . ? 11.126 -13.092 -34.455 1.00 0.00 ? 102 NAG A C5 16 HETATM 10362 C C6 . NAG C 2 . ? 11.129 -11.803 -33.631 1.00 0.00 ? 102 NAG A C6 16 HETATM 10363 C C7 . NAG C 2 . ? 9.452 -16.363 -38.143 1.00 0.00 ? 102 NAG A C7 16 HETATM 10364 C C8 . NAG C 2 . ? 9.458 -17.722 -38.792 1.00 0.00 ? 102 NAG A C8 16 HETATM 10365 N N2 . NAG C 2 . ? 10.483 -15.983 -37.363 1.00 0.00 ? 102 NAG A N2 16 HETATM 10366 O O3 . NAG C 2 . ? 12.508 -13.933 -37.841 1.00 0.00 ? 102 NAG A O3 16 HETATM 10367 O O4 . NAG C 2 . ? 13.236 -12.466 -35.454 1.00 0.00 ? 102 NAG A O4 16 HETATM 10368 O O5 . NAG C 2 . ? 9.781 -13.463 -34.750 1.00 0.00 ? 102 NAG A O5 16 HETATM 10369 O O6 . NAG C 2 . ? 10.414 -12.014 -32.413 1.00 0.00 ? 102 NAG A O6 16 HETATM 10370 O O7 . NAG C 2 . ? 8.519 -15.610 -38.322 1.00 0.00 ? 102 NAG A O7 16 HETATM 10371 H H1 . NAG C 2 . ? 10.388 -15.440 -34.721 1.00 0.00 ? 102 NAG A H1 16 HETATM 10372 H H2 . NAG C 2 . ? 9.918 -13.959 -37.368 1.00 0.00 ? 102 NAG A H2 16 HETATM 10373 H H3 . NAG C 2 . ? 12.511 -14.931 -36.033 1.00 0.00 ? 102 NAG A H3 16 HETATM 10374 H H4 . NAG C 2 . ? 11.411 -12.075 -36.346 1.00 0.00 ? 102 NAG A H4 16 HETATM 10375 H H5 . NAG C 2 . ? 11.607 -13.899 -33.882 1.00 0.00 ? 102 NAG A H5 16 HETATM 10376 H H61 . NAG C 2 . ? 12.164 -11.496 -33.413 1.00 0.00 ? 102 NAG A H61 16 HETATM 10377 H H62 . NAG C 2 . ? 10.666 -10.986 -34.205 1.00 0.00 ? 102 NAG A H62 16 HETATM 10378 H H81 . NAG C 2 . ? 10.259 -18.335 -38.353 1.00 0.00 ? 102 NAG A H81 16 HETATM 10379 H H82 . NAG C 2 . ? 8.488 -18.214 -38.623 1.00 0.00 ? 102 NAG A H82 16 HETATM 10380 H H83 . NAG C 2 . ? 9.630 -17.613 -39.873 1.00 0.00 ? 102 NAG A H83 16 HETATM 10381 H HN2 . NAG C 2 . ? 11.253 -16.603 -37.215 1.00 0.00 ? 102 NAG A HN2 16 HETATM 10382 H HO3 . NAG C 2 . ? 13.447 -13.611 -37.722 1.00 0.00 ? 102 NAG A HO3 16 HETATM 10383 H HO4 . NAG C 2 . ? 13.281 -11.469 -35.391 1.00 0.00 ? 102 NAG A HO4 16 HETATM 10384 H HO6 . NAG C 2 . ? 9.641 -12.627 -32.582 1.00 0.00 ? 102 NAG A HO6 16 ATOM 10385 N N . LYS A 1 1 ? 1.582 -2.313 -4.457 1.00 0.00 ? 1 LYS A N 17 ATOM 10386 C CA . LYS A 1 1 ? 2.168 -1.643 -5.612 1.00 0.00 ? 1 LYS A CA 17 ATOM 10387 C C . LYS A 1 1 ? 3.691 -1.637 -5.523 1.00 0.00 ? 1 LYS A C 17 ATOM 10388 O O . LYS A 1 1 ? 4.274 -1.719 -4.442 1.00 0.00 ? 1 LYS A O 17 ATOM 10389 C CB . LYS A 1 1 ? 1.647 -0.207 -5.712 1.00 0.00 ? 1 LYS A CB 17 ATOM 10390 C CG . LYS A 1 1 ? 1.849 0.603 -4.443 1.00 0.00 ? 1 LYS A CG 17 ATOM 10391 C CD . LYS A 1 1 ? 0.834 1.729 -4.334 1.00 0.00 ? 1 LYS A CD 17 ATOM 10392 C CE . LYS A 1 1 ? -0.504 1.225 -3.815 1.00 0.00 ? 1 LYS A CE 17 ATOM 10393 N NZ . LYS A 1 1 ? -0.454 0.914 -2.360 1.00 0.00 ? 1 LYS A NZ 17 ATOM 10394 H H1 . LYS A 1 1 ? 1.920 -2.104 -3.561 1.00 0.00 ? 1 LYS A H1 17 ATOM 10395 H HA . LYS A 1 1 ? 1.873 -2.186 -6.497 1.00 0.00 ? 1 LYS A HA 17 ATOM 10396 H HB2 . LYS A 1 1 ? 2.161 0.294 -6.520 1.00 0.00 ? 1 LYS A HB2 17 ATOM 10397 H HB3 . LYS A 1 1 ? 0.590 -0.235 -5.932 1.00 0.00 ? 1 LYS A HB3 17 ATOM 10398 H HG2 . LYS A 1 1 ? 1.740 -0.049 -3.590 1.00 0.00 ? 1 LYS A HG2 17 ATOM 10399 H HG3 . LYS A 1 1 ? 2.843 1.026 -4.451 1.00 0.00 ? 1 LYS A HG3 17 ATOM 10400 H HD2 . LYS A 1 1 ? 1.212 2.477 -3.653 1.00 0.00 ? 1 LYS A HD2 17 ATOM 10401 H HD3 . LYS A 1 1 ? 0.690 2.168 -5.311 1.00 0.00 ? 1 LYS A HD3 17 ATOM 10402 H HE2 . LYS A 1 1 ? -1.251 1.984 -3.987 1.00 0.00 ? 1 LYS A HE2 17 ATOM 10403 H HE3 . LYS A 1 1 ? -0.770 0.329 -4.357 1.00 0.00 ? 1 LYS A HE3 17 ATOM 10404 H HZ1 . LYS A 1 1 ? 0.474 1.177 -1.970 1.00 0.00 ? 1 LYS A HZ1 17 ATOM 10405 H HZ2 . LYS A 1 1 ? -0.607 -0.103 -2.206 1.00 0.00 ? 1 LYS A HZ2 17 ATOM 10406 H HZ3 . LYS A 1 1 ? -1.192 1.445 -1.856 1.00 0.00 ? 1 LYS A HZ3 17 ATOM 10407 N N . PRO A 1 2 ? 4.352 -1.537 -6.686 1.00 0.00 ? 2 PRO A N 17 ATOM 10408 C CA . PRO A 1 2 ? 5.815 -1.517 -6.766 1.00 0.00 ? 2 PRO A CA 17 ATOM 10409 C C . PRO A 1 2 ? 6.408 -0.228 -6.206 1.00 0.00 ? 2 PRO A C 17 ATOM 10410 O O . PRO A 1 2 ? 5.706 0.572 -5.589 1.00 0.00 ? 2 PRO A O 17 ATOM 10411 C CB . PRO A 1 2 ? 6.091 -1.623 -8.268 1.00 0.00 ? 2 PRO A CB 17 ATOM 10412 C CG . PRO A 1 2 ? 4.867 -1.074 -8.917 1.00 0.00 ? 2 PRO A CG 17 ATOM 10413 C CD . PRO A 1 2 ? 3.721 -1.436 -8.013 1.00 0.00 ? 2 PRO A CD 17 ATOM 10414 H HA . PRO A 1 2 ? 6.252 -2.364 -6.257 1.00 0.00 ? 2 PRO A HA 17 ATOM 10415 H HB2 . PRO A 1 2 ? 6.966 -1.041 -8.518 1.00 0.00 ? 2 PRO A HB2 17 ATOM 10416 H HB3 . PRO A 1 2 ? 6.250 -2.657 -8.536 1.00 0.00 ? 2 PRO A HB3 17 ATOM 10417 H HG2 . PRO A 1 2 ? 4.949 -0.002 -9.008 1.00 0.00 ? 2 PRO A HG2 17 ATOM 10418 H HG3 . PRO A 1 2 ? 4.734 -1.526 -9.889 1.00 0.00 ? 2 PRO A HG3 17 ATOM 10419 H HD2 . PRO A 1 2 ? 2.971 -0.659 -8.025 1.00 0.00 ? 2 PRO A HD2 17 ATOM 10420 H HD3 . PRO A 1 2 ? 3.292 -2.382 -8.308 1.00 0.00 ? 2 PRO A HD3 17 ATOM 10421 N N . ALA A 1 3 ? 7.705 -0.034 -6.425 1.00 0.00 ? 3 ALA A N 17 ATOM 10422 C CA . ALA A 1 3 ? 8.391 1.158 -5.944 1.00 0.00 ? 3 ALA A CA 17 ATOM 10423 C C . ALA A 1 3 ? 8.333 2.279 -6.977 1.00 0.00 ? 3 ALA A C 17 ATOM 10424 O O . ALA A 1 3 ? 9.028 3.287 -6.852 1.00 0.00 ? 3 ALA A O 17 ATOM 10425 C CB . ALA A 1 3 ? 9.836 0.832 -5.598 1.00 0.00 ? 3 ALA A CB 17 ATOM 10426 H H . ALA A 1 3 ? 8.211 -0.709 -6.924 1.00 0.00 ? 3 ALA A H 17 ATOM 10427 H HA . ALA A 1 3 ? 7.896 1.487 -5.042 1.00 0.00 ? 3 ALA A HA 17 ATOM 10428 H HB1 . ALA A 1 3 ? 10.267 1.654 -5.045 1.00 0.00 ? 3 ALA A HB1 17 ATOM 10429 H HB2 . ALA A 1 3 ? 9.868 -0.064 -4.996 1.00 0.00 ? 3 ALA A HB2 17 ATOM 10430 H HB3 . ALA A 1 3 ? 10.397 0.675 -6.507 1.00 0.00 ? 3 ALA A HB3 17 ATOM 10431 N N . TRP A 1 4 ? 7.500 2.096 -7.995 1.00 0.00 ? 4 TRP A N 17 ATOM 10432 C CA . TRP A 1 4 ? 7.353 3.092 -9.050 1.00 0.00 ? 4 TRP A CA 17 ATOM 10433 C C . TRP A 1 4 ? 6.082 3.911 -8.851 1.00 0.00 ? 4 TRP A C 17 ATOM 10434 O O . TRP A 1 4 ? 6.070 5.122 -9.074 1.00 0.00 ? 4 TRP A O 17 ATOM 10435 C CB . TRP A 1 4 ? 7.328 2.414 -10.421 1.00 0.00 ? 4 TRP A CB 17 ATOM 10436 C CG . TRP A 1 4 ? 7.986 1.067 -10.429 1.00 0.00 ? 4 TRP A CG 17 ATOM 10437 C CD1 . TRP A 1 4 ? 9.203 0.747 -9.899 1.00 0.00 ? 4 TRP A CD1 17 ATOM 10438 C CD2 . TRP A 1 4 ? 7.463 -0.138 -10.997 1.00 0.00 ? 4 TRP A CD2 17 ATOM 10439 N NE1 . TRP A 1 4 ? 9.468 -0.586 -10.103 1.00 0.00 ? 4 TRP A NE1 17 ATOM 10440 C CE2 . TRP A 1 4 ? 8.416 -1.152 -10.774 1.00 0.00 ? 4 TRP A CE2 17 ATOM 10441 C CE3 . TRP A 1 4 ? 6.282 -0.462 -11.670 1.00 0.00 ? 4 TRP A CE3 17 ATOM 10442 C CZ2 . TRP A 1 4 ? 8.223 -2.462 -11.201 1.00 0.00 ? 4 TRP A CZ2 17 ATOM 10443 C CZ3 . TRP A 1 4 ? 6.091 -1.763 -12.094 1.00 0.00 ? 4 TRP A CZ3 17 ATOM 10444 C CH2 . TRP A 1 4 ? 7.057 -2.751 -11.858 1.00 0.00 ? 4 TRP A CH2 17 ATOM 10445 H H . TRP A 1 4 ? 6.973 1.271 -8.039 1.00 0.00 ? 4 TRP A H 17 ATOM 10446 H HA . TRP A 1 4 ? 8.205 3.754 -9.001 1.00 0.00 ? 4 TRP A HA 17 ATOM 10447 H HB2 . TRP A 1 4 ? 6.303 2.286 -10.734 1.00 0.00 ? 4 TRP A HB2 17 ATOM 10448 H HB3 . TRP A 1 4 ? 7.843 3.042 -11.134 1.00 0.00 ? 4 TRP A HB3 17 ATOM 10449 H HD1 . TRP A 1 4 ? 9.852 1.448 -9.398 1.00 0.00 ? 4 TRP A HD1 17 ATOM 10450 H HE1 . TRP A 1 4 ? 10.279 -1.055 -9.814 1.00 0.00 ? 4 TRP A HE1 17 ATOM 10451 H HE3 . TRP A 1 4 ? 5.526 0.286 -11.861 1.00 0.00 ? 4 TRP A HE3 17 ATOM 10452 H HZ2 . TRP A 1 4 ? 8.957 -3.235 -11.026 1.00 0.00 ? 4 TRP A HZ2 17 ATOM 10453 H HZ3 . TRP A 1 4 ? 5.185 -2.031 -12.616 1.00 0.00 ? 4 TRP A HZ3 17 ATOM 10454 H HH2 . TRP A 1 4 ? 6.866 -3.754 -12.207 1.00 0.00 ? 4 TRP A HH2 17 ATOM 10455 N N . CYS A 1 5 ? 5.012 3.243 -8.431 1.00 0.00 ? 5 CYS A N 17 ATOM 10456 C CA . CYS A 1 5 ? 3.736 3.908 -8.203 1.00 0.00 ? 5 CYS A CA 17 ATOM 10457 C C . CYS A 1 5 ? 3.651 4.449 -6.778 1.00 0.00 ? 5 CYS A C 17 ATOM 10458 O O . CYS A 1 5 ? 4.647 4.480 -6.056 1.00 0.00 ? 5 CYS A O 17 ATOM 10459 C CB . CYS A 1 5 ? 2.579 2.941 -8.462 1.00 0.00 ? 5 CYS A CB 17 ATOM 10460 S SG . CYS A 1 5 ? 2.793 1.907 -9.947 1.00 0.00 ? 5 CYS A SG 17 ATOM 10461 H H . CYS A 1 5 ? 5.084 2.278 -8.271 1.00 0.00 ? 5 CYS A H 17 ATOM 10462 H HA . CYS A 1 5 ? 3.664 4.735 -8.893 1.00 0.00 ? 5 CYS A HA 17 ATOM 10463 H HB2 . CYS A 1 5 ? 2.476 2.279 -7.614 1.00 0.00 ? 5 CYS A HB2 17 ATOM 10464 H HB3 . CYS A 1 5 ? 1.667 3.506 -8.583 1.00 0.00 ? 5 CYS A HB3 17 ATOM 10465 N N . TRP A 1 6 ? 2.457 4.873 -6.382 1.00 0.00 ? 6 TRP A N 17 ATOM 10466 C CA . TRP A 1 6 ? 2.242 5.412 -5.044 1.00 0.00 ? 6 TRP A CA 17 ATOM 10467 C C . TRP A 1 6 ? 0.816 5.149 -4.574 1.00 0.00 ? 6 TRP A C 17 ATOM 10468 O O . TRP A 1 6 ? 0.591 4.783 -3.420 1.00 0.00 ? 6 TRP A O 17 ATOM 10469 C CB . TRP A 1 6 ? 2.530 6.914 -5.025 1.00 0.00 ? 6 TRP A CB 17 ATOM 10470 C CG . TRP A 1 6 ? 3.255 7.365 -3.794 1.00 0.00 ? 6 TRP A CG 17 ATOM 10471 C CD1 . TRP A 1 6 ? 4.566 7.736 -3.704 1.00 0.00 ? 6 TRP A CD1 17 ATOM 10472 C CD2 . TRP A 1 6 ? 2.710 7.490 -2.476 1.00 0.00 ? 6 TRP A CD2 17 ATOM 10473 N NE1 . TRP A 1 6 ? 4.869 8.084 -2.410 1.00 0.00 ? 6 TRP A NE1 17 ATOM 10474 C CE2 . TRP A 1 6 ? 3.747 7.942 -1.637 1.00 0.00 ? 6 TRP A CE2 17 ATOM 10475 C CE3 . TRP A 1 6 ? 1.446 7.266 -1.923 1.00 0.00 ? 6 TRP A CE3 17 ATOM 10476 C CZ2 . TRP A 1 6 ? 3.558 8.173 -0.277 1.00 0.00 ? 6 TRP A CZ2 17 ATOM 10477 C CZ3 . TRP A 1 6 ? 1.260 7.494 -0.573 1.00 0.00 ? 6 TRP A CZ3 17 ATOM 10478 C CH2 . TRP A 1 6 ? 2.310 7.945 0.238 1.00 0.00 ? 6 TRP A CH2 17 ATOM 10479 H H . TRP A 1 6 ? 1.701 4.822 -7.004 1.00 0.00 ? 6 TRP A H 17 ATOM 10480 H HA . TRP A 1 6 ? 2.928 4.915 -4.374 1.00 0.00 ? 6 TRP A HA 17 ATOM 10481 H HB2 . TRP A 1 6 ? 3.136 7.169 -5.881 1.00 0.00 ? 6 TRP A HB2 17 ATOM 10482 H HB3 . TRP A 1 6 ? 1.594 7.453 -5.078 1.00 0.00 ? 6 TRP A HB3 17 ATOM 10483 H HD1 . TRP A 1 6 ? 5.253 7.747 -4.537 1.00 0.00 ? 6 TRP A HD1 17 ATOM 10484 H HE1 . TRP A 1 6 ? 5.746 8.386 -2.093 1.00 0.00 ? 6 TRP A HE1 17 ATOM 10485 H HE3 . TRP A 1 6 ? 0.624 6.919 -2.531 1.00 0.00 ? 6 TRP A HE3 17 ATOM 10486 H HZ2 . TRP A 1 6 ? 4.357 8.520 0.361 1.00 0.00 ? 6 TRP A HZ2 17 ATOM 10487 H HZ3 . TRP A 1 6 ? 0.290 7.326 -0.128 1.00 0.00 ? 6 TRP A HZ3 17 ATOM 10488 H HH2 . TRP A 1 6 ? 2.119 8.110 1.287 1.00 0.00 ? 6 TRP A HH2 17 ATOM 10489 N N . TYR A 1 7 ? -0.143 5.336 -5.473 1.00 0.00 ? 7 TYR A N 17 ATOM 10490 C CA . TYR A 1 7 ? -1.548 5.121 -5.148 1.00 0.00 ? 7 TYR A CA 17 ATOM 10491 C C . TYR A 1 7 ? -2.436 5.396 -6.358 1.00 0.00 ? 7 TYR A C 17 ATOM 10492 O O . TYR A 1 7 ? -1.949 5.542 -7.480 1.00 0.00 ? 7 TYR A O 17 ATOM 10493 C CB . TYR A 1 7 ? -1.967 6.016 -3.981 1.00 0.00 ? 7 TYR A CB 17 ATOM 10494 C CG . TYR A 1 7 ? -2.853 5.322 -2.972 1.00 0.00 ? 7 TYR A CG 17 ATOM 10495 C CD1 . TYR A 1 7 ? -2.470 4.118 -2.394 1.00 0.00 ? 7 TYR A CD1 17 ATOM 10496 C CD2 . TYR A 1 7 ? -4.075 5.868 -2.598 1.00 0.00 ? 7 TYR A CD2 17 ATOM 10497 C CE1 . TYR A 1 7 ? -3.277 3.479 -1.472 1.00 0.00 ? 7 TYR A CE1 17 ATOM 10498 C CE2 . TYR A 1 7 ? -4.887 5.237 -1.677 1.00 0.00 ? 7 TYR A CE2 17 ATOM 10499 C CZ . TYR A 1 7 ? -4.484 4.043 -1.117 1.00 0.00 ? 7 TYR A CZ 17 ATOM 10500 O OH . TYR A 1 7 ? -5.292 3.411 -0.199 1.00 0.00 ? 7 TYR A OH 17 ATOM 10501 H H . TYR A 1 7 ? 0.099 5.628 -6.377 1.00 0.00 ? 7 TYR A H 17 ATOM 10502 H HA . TYR A 1 7 ? -1.667 4.088 -4.857 1.00 0.00 ? 7 TYR A HA 17 ATOM 10503 H HB2 . TYR A 1 7 ? -1.083 6.359 -3.465 1.00 0.00 ? 7 TYR A HB2 17 ATOM 10504 H HB3 . TYR A 1 7 ? -2.506 6.869 -4.366 1.00 0.00 ? 7 TYR A HB3 17 ATOM 10505 H HD1 . TYR A 1 7 ? -1.523 3.679 -2.674 1.00 0.00 ? 7 TYR A HD1 17 ATOM 10506 H HD2 . TYR A 1 7 ? -4.387 6.804 -3.039 1.00 0.00 ? 7 TYR A HD2 17 ATOM 10507 H HE1 . TYR A 1 7 ? -2.961 2.544 -1.033 1.00 0.00 ? 7 TYR A HE1 17 ATOM 10508 H HE2 . TYR A 1 7 ? -5.833 5.678 -1.398 1.00 0.00 ? 7 TYR A HE2 17 ATOM 10509 H HH . TYR A 1 7 ? -4.778 2.759 0.284 1.00 0.00 ? 7 TYR A HH 17 ATOM 10510 N N . THR A 1 8 ? -3.742 5.466 -6.122 1.00 0.00 ? 8 THR A N 17 ATOM 10511 C CA . THR A 1 8 ? -4.699 5.723 -7.191 1.00 0.00 ? 8 THR A CA 17 ATOM 10512 C C . THR A 1 8 ? -5.053 7.203 -7.268 1.00 0.00 ? 8 THR A C 17 ATOM 10513 O O . THR A 1 8 ? -6.112 7.573 -7.777 1.00 0.00 ? 8 THR A O 17 ATOM 10514 C CB . THR A 1 8 ? -5.991 4.907 -6.996 1.00 0.00 ? 8 THR A CB 17 ATOM 10515 O OG1 . THR A 1 8 ? -5.675 3.595 -6.516 1.00 0.00 ? 8 THR A OG1 17 ATOM 10516 C CG2 . THR A 1 8 ? -6.766 4.801 -8.301 1.00 0.00 ? 8 THR A CG2 17 ATOM 10517 H H . THR A 1 8 ? -4.069 5.341 -5.207 1.00 0.00 ? 8 THR A H 17 ATOM 10518 H HA . THR A 1 8 ? -4.245 5.422 -8.124 1.00 0.00 ? 8 THR A HA 17 ATOM 10519 H HB . THR A 1 8 ? -6.610 5.410 -6.267 1.00 0.00 ? 8 THR A HB 17 ATOM 10520 H HG1 . THR A 1 8 ? -5.134 3.138 -7.165 1.00 0.00 ? 8 THR A HG1 17 ATOM 10521 H HG21 . THR A 1 8 ? -7.767 5.179 -8.156 1.00 0.00 ? 8 THR A HG21 17 ATOM 10522 H HG22 . THR A 1 8 ? -6.813 3.767 -8.609 1.00 0.00 ? 8 THR A HG22 17 ATOM 10523 H HG23 . THR A 1 8 ? -6.269 5.382 -9.063 1.00 0.00 ? 8 THR A HG23 17 ATOM 10524 N N . LEU A 1 9 ? -4.162 8.047 -6.760 1.00 0.00 ? 9 LEU A N 17 ATOM 10525 C CA . LEU A 1 9 ? -4.380 9.489 -6.772 1.00 0.00 ? 9 LEU A CA 17 ATOM 10526 C C . LEU A 1 9 ? -4.507 10.009 -8.201 1.00 0.00 ? 9 LEU A C 17 ATOM 10527 O O . LEU A 1 9 ? -5.295 10.913 -8.475 1.00 0.00 ? 9 LEU A O 17 ATOM 10528 C CB . LEU A 1 9 ? -3.232 10.205 -6.057 1.00 0.00 ? 9 LEU A CB 17 ATOM 10529 C CG . LEU A 1 9 ? -3.272 10.176 -4.529 1.00 0.00 ? 9 LEU A CG 17 ATOM 10530 C CD1 . LEU A 1 9 ? -2.073 10.910 -3.950 1.00 0.00 ? 9 LEU A CD1 17 ATOM 10531 C CD2 . LEU A 1 9 ? -4.570 10.783 -4.017 1.00 0.00 ? 9 LEU A CD2 17 ATOM 10532 H H . LEU A 1 9 ? -3.337 7.693 -6.368 1.00 0.00 ? 9 LEU A H 17 ATOM 10533 H HA . LEU A 1 9 ? -5.301 9.689 -6.246 1.00 0.00 ? 9 LEU A HA 17 ATOM 10534 H HB2 . LEU A 1 9 ? -2.308 9.745 -6.372 1.00 0.00 ? 9 LEU A HB2 17 ATOM 10535 H HB3 . LEU A 1 9 ? -3.243 11.239 -6.370 1.00 0.00 ? 9 LEU A HB3 17 ATOM 10536 H HG . LEU A 1 9 ? -3.228 9.148 -4.193 1.00 0.00 ? 9 LEU A HG 17 ATOM 10537 H HD11 . LEU A 1 9 ? -2.200 11.023 -2.884 1.00 0.00 ? 9 LEU A HD11 17 ATOM 10538 H HD12 . LEU A 1 9 ? -1.991 11.884 -4.408 1.00 0.00 ? 9 LEU A HD12 17 ATOM 10539 H HD13 . LEU A 1 9 ? -1.174 10.343 -4.147 1.00 0.00 ? 9 LEU A HD13 17 ATOM 10540 H HD21 . LEU A 1 9 ? -5.381 10.091 -4.184 1.00 0.00 ? 9 LEU A HD21 17 ATOM 10541 H HD22 . LEU A 1 9 ? -4.767 11.705 -4.545 1.00 0.00 ? 9 LEU A HD22 17 ATOM 10542 H HD23 . LEU A 1 9 ? -4.480 10.987 -2.960 1.00 0.00 ? 9 LEU A HD23 17 ATOM 10543 N N . ALA A 1 10 ? -3.726 9.430 -9.107 1.00 0.00 ? 10 ALA A N 17 ATOM 10544 C CA . ALA A 1 10 ? -3.754 9.832 -10.508 1.00 0.00 ? 10 ALA A CA 17 ATOM 10545 C C . ALA A 1 10 ? -3.264 11.266 -10.678 1.00 0.00 ? 10 ALA A C 17 ATOM 10546 O O . ALA A 1 10 ? -4.021 12.146 -11.088 1.00 0.00 ? 10 ALA A O 17 ATOM 10547 C CB . ALA A 1 10 ? -5.159 9.682 -11.072 1.00 0.00 ? 10 ALA A CB 17 ATOM 10548 H H . ALA A 1 10 ? -3.118 8.715 -8.827 1.00 0.00 ? 10 ALA A H 17 ATOM 10549 H HA . ALA A 1 10 ? -3.100 9.171 -11.058 1.00 0.00 ? 10 ALA A HA 17 ATOM 10550 H HB1 . ALA A 1 10 ? -5.101 9.479 -12.132 1.00 0.00 ? 10 ALA A HB1 17 ATOM 10551 H HB2 . ALA A 1 10 ? -5.661 8.864 -10.576 1.00 0.00 ? 10 ALA A HB2 17 ATOM 10552 H HB3 . ALA A 1 10 ? -5.711 10.595 -10.910 1.00 0.00 ? 10 ALA A HB3 17 ATOM 10553 N N . MET A 1 11 ? -1.994 11.494 -10.359 1.00 0.00 ? 11 MET A N 17 ATOM 10554 C CA . MET A 1 11 ? -1.404 12.822 -10.477 1.00 0.00 ? 11 MET A CA 17 ATOM 10555 C C . MET A 1 11 ? -1.309 13.247 -11.939 1.00 0.00 ? 11 MET A C 17 ATOM 10556 O O . MET A 1 11 ? -1.981 14.185 -12.369 1.00 0.00 ? 11 MET A O 17 ATOM 10557 C CB . MET A 1 11 ? -0.015 12.845 -9.836 1.00 0.00 ? 11 MET A CB 17 ATOM 10558 C CG . MET A 1 11 ? -0.031 12.567 -8.342 1.00 0.00 ? 11 MET A CG 17 ATOM 10559 S SD . MET A 1 11 ? 1.546 11.937 -7.736 1.00 0.00 ? 11 MET A SD 17 ATOM 10560 C CE . MET A 1 11 ? 1.054 10.331 -7.115 1.00 0.00 ? 11 MET A CE 17 ATOM 10561 H H . MET A 1 11 ? -1.440 10.752 -10.038 1.00 0.00 ? 11 MET A H 17 ATOM 10562 H HA . MET A 1 11 ? -2.044 13.517 -9.954 1.00 0.00 ? 11 MET A HA 17 ATOM 10563 H HB2 . MET A 1 11 ? 0.601 12.098 -10.313 1.00 0.00 ? 11 MET A HB2 17 ATOM 10564 H HB3 . MET A 1 11 ? 0.425 13.818 -9.994 1.00 0.00 ? 11 MET A HB3 17 ATOM 10565 H HG2 . MET A 1 11 ? -0.260 13.484 -7.820 1.00 0.00 ? 11 MET A HG2 17 ATOM 10566 H HG3 . MET A 1 11 ? -0.798 11.836 -8.135 1.00 0.00 ? 11 MET A HG3 17 ATOM 10567 H HE1 . MET A 1 11 ? 1.465 9.559 -7.749 1.00 0.00 ? 11 MET A HE1 17 ATOM 10568 H HE2 . MET A 1 11 ? 1.425 10.205 -6.109 1.00 0.00 ? 11 MET A HE2 17 ATOM 10569 H HE3 . MET A 1 11 ? -0.024 10.261 -7.113 1.00 0.00 ? 11 MET A HE3 17 ATOM 10570 N N . CYS A 1 12 ? -0.470 12.551 -12.700 1.00 0.00 ? 12 CYS A N 17 ATOM 10571 C CA . CYS A 1 12 ? -0.286 12.856 -14.113 1.00 0.00 ? 12 CYS A CA 17 ATOM 10572 C C . CYS A 1 12 ? -1.629 12.914 -14.836 1.00 0.00 ? 12 CYS A C 17 ATOM 10573 O O . CYS A 1 12 ? -2.599 12.284 -14.418 1.00 0.00 ? 12 CYS A O 17 ATOM 10574 C CB . CYS A 1 12 ? 0.614 11.807 -14.770 1.00 0.00 ? 12 CYS A CB 17 ATOM 10575 S SG . CYS A 1 12 ? -0.195 10.198 -15.040 1.00 0.00 ? 12 CYS A SG 17 ATOM 10576 H H . CYS A 1 12 ? 0.039 11.814 -12.300 1.00 0.00 ? 12 CYS A H 17 ATOM 10577 H HA . CYS A 1 12 ? 0.190 13.822 -14.185 1.00 0.00 ? 12 CYS A HA 17 ATOM 10578 H HB2 . CYS A 1 12 ? 0.940 12.176 -15.732 1.00 0.00 ? 12 CYS A HB2 17 ATOM 10579 H HB3 . CYS A 1 12 ? 1.477 11.641 -14.142 1.00 0.00 ? 12 CYS A HB3 17 ATOM 10580 N N . GLY A 1 13 ? -1.676 13.676 -15.925 1.00 0.00 ? 13 GLY A N 17 ATOM 10581 C CA . GLY A 1 13 ? -2.903 13.803 -16.689 1.00 0.00 ? 13 GLY A CA 17 ATOM 10582 C C . GLY A 1 13 ? -3.719 15.013 -16.279 1.00 0.00 ? 13 GLY A C 17 ATOM 10583 O O . GLY A 1 13 ? -4.487 15.551 -17.076 1.00 0.00 ? 13 GLY A O 17 ATOM 10584 H H . GLY A 1 13 ? -0.871 14.156 -16.212 1.00 0.00 ? 13 GLY A H 17 ATOM 10585 H HA2 . GLY A 1 13 ? -2.655 13.887 -17.737 1.00 0.00 ? 13 GLY A HA2 17 ATOM 10586 H HA3 . GLY A 1 13 ? -3.500 12.914 -16.541 1.00 0.00 ? 13 GLY A HA3 17 ATOM 10587 N N . ALA A 1 14 ? -3.554 15.441 -15.032 1.00 0.00 ? 14 ALA A N 17 ATOM 10588 C CA . ALA A 1 14 ? -4.281 16.595 -14.518 1.00 0.00 ? 14 ALA A CA 17 ATOM 10589 C C . ALA A 1 14 ? -3.382 17.826 -14.453 1.00 0.00 ? 14 ALA A C 17 ATOM 10590 O O . ALA A 1 14 ? -3.636 18.752 -13.684 1.00 0.00 ? 14 ALA A O 17 ATOM 10591 C CB . ALA A 1 14 ? -4.857 16.287 -13.144 1.00 0.00 ? 14 ALA A CB 17 ATOM 10592 H H . ALA A 1 14 ? -2.927 14.971 -14.444 1.00 0.00 ? 14 ALA A H 17 ATOM 10593 H HA . ALA A 1 14 ? -5.103 16.798 -15.189 1.00 0.00 ? 14 ALA A HA 17 ATOM 10594 H HB1 . ALA A 1 14 ? -5.331 17.173 -12.747 1.00 0.00 ? 14 ALA A HB1 17 ATOM 10595 H HB2 . ALA A 1 14 ? -5.587 15.496 -13.230 1.00 0.00 ? 14 ALA A HB2 17 ATOM 10596 H HB3 . ALA A 1 14 ? -4.063 15.976 -12.483 1.00 0.00 ? 14 ALA A HB3 17 ATOM 10597 N N . GLY A 1 15 ? -2.329 17.828 -15.265 1.00 0.00 ? 15 GLY A N 17 ATOM 10598 C CA . GLY A 1 15 ? -1.408 18.949 -15.283 1.00 0.00 ? 15 GLY A CA 17 ATOM 10599 C C . GLY A 1 15 ? -0.089 18.627 -14.609 1.00 0.00 ? 15 GLY A C 17 ATOM 10600 O O . GLY A 1 15 ? 0.910 19.314 -14.823 1.00 0.00 ? 15 GLY A O 17 ATOM 10601 H H . GLY A 1 15 ? -2.176 17.061 -15.857 1.00 0.00 ? 15 GLY A H 17 ATOM 10602 H HA2 . GLY A 1 15 ? -1.218 19.228 -16.308 1.00 0.00 ? 15 GLY A HA2 17 ATOM 10603 H HA3 . GLY A 1 15 ? -1.866 19.784 -14.772 1.00 0.00 ? 15 GLY A HA3 17 ATOM 10604 N N . TYR A 1 16 ? -0.085 17.581 -13.790 1.00 0.00 ? 16 TYR A N 17 ATOM 10605 C CA . TYR A 1 16 ? 1.120 17.172 -13.079 1.00 0.00 ? 16 TYR A CA 17 ATOM 10606 C C . TYR A 1 16 ? 2.248 16.854 -14.056 1.00 0.00 ? 16 TYR A C 17 ATOM 10607 O O . TYR A 1 16 ? 3.423 17.068 -13.756 1.00 0.00 ? 16 TYR A O 17 ATOM 10608 C CB . TYR A 1 16 ? 0.831 15.952 -12.202 1.00 0.00 ? 16 TYR A CB 17 ATOM 10609 C CG . TYR A 1 16 ? 0.552 16.297 -10.757 1.00 0.00 ? 16 TYR A CG 17 ATOM 10610 C CD1 . TYR A 1 16 ? 1.592 16.521 -9.863 1.00 0.00 ? 16 TYR A CD1 17 ATOM 10611 C CD2 . TYR A 1 16 ? -0.751 16.399 -10.285 1.00 0.00 ? 16 TYR A CD2 17 ATOM 10612 C CE1 . TYR A 1 16 ? 1.342 16.836 -8.541 1.00 0.00 ? 16 TYR A CE1 17 ATOM 10613 C CE2 . TYR A 1 16 ? -1.010 16.715 -8.965 1.00 0.00 ? 16 TYR A CE2 17 ATOM 10614 C CZ . TYR A 1 16 ? 0.039 16.932 -8.097 1.00 0.00 ? 16 TYR A CZ 17 ATOM 10615 O OH . TYR A 1 16 ? -0.215 17.246 -6.782 1.00 0.00 ? 16 TYR A OH 17 ATOM 10616 H H . TYR A 1 16 ? -0.913 17.072 -13.659 1.00 0.00 ? 16 TYR A H 17 ATOM 10617 H HA . TYR A 1 16 ? 1.427 17.992 -12.447 1.00 0.00 ? 16 TYR A HA 17 ATOM 10618 H HB2 . TYR A 1 16 ? -0.032 15.434 -12.591 1.00 0.00 ? 16 TYR A HB2 17 ATOM 10619 H HB3 . TYR A 1 16 ? 1.683 15.289 -12.227 1.00 0.00 ? 16 TYR A HB3 17 ATOM 10620 H HD1 . TYR A 1 16 ? 2.611 16.445 -10.213 1.00 0.00 ? 16 TYR A HD1 17 ATOM 10621 H HD2 . TYR A 1 16 ? -1.571 16.227 -10.968 1.00 0.00 ? 16 TYR A HD2 17 ATOM 10622 H HE1 . TYR A 1 16 ? 2.163 17.007 -7.861 1.00 0.00 ? 16 TYR A HE1 17 ATOM 10623 H HE2 . TYR A 1 16 ? -2.030 16.790 -8.618 1.00 0.00 ? 16 TYR A HE2 17 ATOM 10624 H HH . TYR A 1 16 ? -0.808 16.592 -6.406 1.00 0.00 ? 16 TYR A HH 17 ATOM 10625 N N . ASP A 1 17 ? 1.882 16.343 -15.226 1.00 0.00 ? 17 ASP A N 17 ATOM 10626 C CA . ASP A 1 17 ? 2.861 15.996 -16.249 1.00 0.00 ? 17 ASP A CA 17 ATOM 10627 C C . ASP A 1 17 ? 2.589 16.759 -17.542 1.00 0.00 ? 17 ASP A C 17 ATOM 10628 O O . ASP A 1 17 ? 1.707 17.617 -17.594 1.00 0.00 ? 17 ASP A O 17 ATOM 10629 C CB . ASP A 1 17 ? 2.840 14.491 -16.517 1.00 0.00 ? 17 ASP A CB 17 ATOM 10630 C CG . ASP A 1 17 ? 3.240 13.681 -15.299 1.00 0.00 ? 17 ASP A CG 17 ATOM 10631 O OD1 . ASP A 1 17 ? 2.614 13.862 -14.234 1.00 0.00 ? 17 ASP A OD1 17 ATOM 10632 O OD2 . ASP A 1 17 ? 4.181 12.867 -15.411 1.00 0.00 ? 17 ASP A OD2 17 ATOM 10633 H H . ASP A 1 17 ? 0.929 16.195 -15.406 1.00 0.00 ? 17 ASP A H 17 ATOM 10634 H HA . ASP A 1 17 ? 3.837 16.274 -15.881 1.00 0.00 ? 17 ASP A HA 17 ATOM 10635 H HB2 . ASP A 1 17 ? 1.842 14.197 -16.809 1.00 0.00 ? 17 ASP A HB2 17 ATOM 10636 H HB3 . ASP A 1 17 ? 3.527 14.265 -17.319 1.00 0.00 ? 17 ASP A HB3 17 ATOM 10637 N N . SER A 1 18 ? 3.352 16.441 -18.583 1.00 0.00 ? 18 SER A N 17 ATOM 10638 C CA . SER A 1 18 ? 3.196 17.099 -19.875 1.00 0.00 ? 18 SER A CA 17 ATOM 10639 C C . SER A 1 18 ? 2.092 16.436 -20.693 1.00 0.00 ? 18 SER A C 17 ATOM 10640 O O . SER A 1 18 ? 2.449 15.462 -21.354 1.00 0.00 ? 18 SER A O 17 ATOM 10641 C CB . SER A 1 18 ? 4.514 17.063 -20.651 1.00 0.00 ? 18 SER A CB 17 ATOM 10642 O OG . SER A 1 18 ? 5.404 18.066 -20.192 1.00 0.00 ? 18 SER A OG 17 ATOM 10643 H H . SER A 1 18 ? 4.037 15.748 -18.478 1.00 0.00 ? 18 SER A H 17 ATOM 10644 H HA . SER A 1 18 ? 2.924 18.128 -19.692 1.00 0.00 ? 18 SER A HA 17 ATOM 10645 H HB2 . SER A 1 18 ? 4.979 16.099 -20.521 1.00 0.00 ? 18 SER A HB2 17 ATOM 10646 H HB3 . SER A 1 18 ? 4.314 17.228 -21.700 1.00 0.00 ? 18 SER A HB3 17 ATOM 10647 N N . GLY A 1 19 ? 0.957 16.420 -19.969 1.00 0.00 ? 19 GLY A N 17 ATOM 10648 C CA . GLY A 1 19 ? 0.078 15.265 -19.976 1.00 0.00 ? 19 GLY A CA 17 ATOM 10649 C C . GLY A 1 19 ? 0.772 14.011 -20.470 1.00 0.00 ? 19 GLY A C 17 ATOM 10650 O O . GLY A 1 19 ? 0.589 13.601 -21.616 1.00 0.00 ? 19 GLY A O 17 ATOM 10651 H H . GLY A 1 19 ? 0.719 17.211 -19.442 1.00 0.00 ? 19 GLY A H 17 ATOM 10652 H HA2 . GLY A 1 19 ? -0.282 15.094 -18.972 1.00 0.00 ? 19 GLY A HA2 17 ATOM 10653 H HA3 . GLY A 1 19 ? -0.765 15.473 -20.619 1.00 0.00 ? 19 GLY A HA3 17 ATOM 10654 N N . THR A 1 20 ? 1.573 13.400 -19.603 1.00 0.00 ? 20 THR A N 17 ATOM 10655 C CA . THR A 1 20 ? 2.300 12.187 -19.957 1.00 0.00 ? 20 THR A CA 17 ATOM 10656 C C . THR A 1 20 ? 2.572 11.329 -18.727 1.00 0.00 ? 20 THR A C 17 ATOM 10657 O O . THR A 1 20 ? 2.923 11.843 -17.664 1.00 0.00 ? 20 THR A O 17 ATOM 10658 C CB . THR A 1 20 ? 3.638 12.515 -20.647 1.00 0.00 ? 20 THR A CB 17 ATOM 10659 O OG1 . THR A 1 20 ? 4.183 11.333 -21.244 1.00 0.00 ? 20 THR A OG1 17 ATOM 10660 C CG2 . THR A 1 20 ? 4.632 13.091 -19.651 1.00 0.00 ? 20 THR A CG2 17 ATOM 10661 H H . THR A 1 20 ? 1.678 13.775 -18.704 1.00 0.00 ? 20 THR A H 17 ATOM 10662 H HA . THR A 1 20 ? 1.691 11.624 -20.649 1.00 0.00 ? 20 THR A HA 17 ATOM 10663 H HB . THR A 1 20 ? 3.457 13.249 -21.419 1.00 0.00 ? 20 THR A HB 17 ATOM 10664 H HG1 . THR A 1 20 ? 3.621 11.053 -21.970 1.00 0.00 ? 20 THR A HG1 17 ATOM 10665 H HG21 . THR A 1 20 ? 5.532 13.384 -20.170 1.00 0.00 ? 20 THR A HG21 17 ATOM 10666 H HG22 . THR A 1 20 ? 4.872 12.345 -18.908 1.00 0.00 ? 20 THR A HG22 17 ATOM 10667 H HG23 . THR A 1 20 ? 4.199 13.954 -19.167 1.00 0.00 ? 20 THR A HG23 17 ATOM 10668 N N . CYS A 1 21 ? 2.408 10.019 -18.877 1.00 0.00 ? 21 CYS A N 17 ATOM 10669 C CA . CYS A 1 21 ? 2.636 9.089 -17.778 1.00 0.00 ? 21 CYS A CA 17 ATOM 10670 C C . CYS A 1 21 ? 3.519 7.927 -18.223 1.00 0.00 ? 21 CYS A C 17 ATOM 10671 O O . CYS A 1 21 ? 4.039 7.921 -19.339 1.00 0.00 ? 21 CYS A O 17 ATOM 10672 C CB . CYS A 1 21 ? 1.303 8.557 -17.247 1.00 0.00 ? 21 CYS A CB 17 ATOM 10673 S SG . CYS A 1 21 ? 0.040 9.843 -16.987 1.00 0.00 ? 21 CYS A SG 17 ATOM 10674 H H . CYS A 1 21 ? 2.126 9.669 -19.748 1.00 0.00 ? 21 CYS A H 17 ATOM 10675 H HA . CYS A 1 21 ? 3.139 9.625 -16.988 1.00 0.00 ? 21 CYS A HA 17 ATOM 10676 H HB2 . CYS A 1 21 ? 0.903 7.843 -17.952 1.00 0.00 ? 21 CYS A HB2 17 ATOM 10677 H HB3 . CYS A 1 21 ? 1.472 8.065 -16.301 1.00 0.00 ? 21 CYS A HB3 17 ATOM 10678 N N . ASP A 1 22 ? 3.683 6.945 -17.343 1.00 0.00 ? 22 ASP A N 17 ATOM 10679 C CA . ASP A 1 22 ? 4.502 5.777 -17.645 1.00 0.00 ? 22 ASP A CA 17 ATOM 10680 C C . ASP A 1 22 ? 4.034 4.564 -16.847 1.00 0.00 ? 22 ASP A C 17 ATOM 10681 O O . ASP A 1 22 ? 3.375 3.672 -17.383 1.00 0.00 ? 22 ASP A O 17 ATOM 10682 C CB . ASP A 1 22 ? 5.973 6.066 -17.341 1.00 0.00 ? 22 ASP A CB 17 ATOM 10683 C CG . ASP A 1 22 ? 6.801 6.242 -18.599 1.00 0.00 ? 22 ASP A CG 17 ATOM 10684 O OD1 . ASP A 1 22 ? 7.061 5.231 -19.284 1.00 0.00 ? 22 ASP A OD1 17 ATOM 10685 O OD2 . ASP A 1 22 ? 7.189 7.390 -18.898 1.00 0.00 ? 22 ASP A OD2 17 ATOM 10686 H H . ASP A 1 22 ? 3.243 7.007 -16.469 1.00 0.00 ? 22 ASP A H 17 ATOM 10687 H HA . ASP A 1 22 ? 4.397 5.561 -18.698 1.00 0.00 ? 22 ASP A HA 17 ATOM 10688 H HB2 . ASP A 1 22 ? 6.042 6.972 -16.758 1.00 0.00 ? 22 ASP A HB2 17 ATOM 10689 H HB3 . ASP A 1 22 ? 6.384 5.244 -16.773 1.00 0.00 ? 22 ASP A HB3 17 ATOM 10690 N N . TYR A 1 23 ? 4.379 4.537 -15.565 1.00 0.00 ? 23 TYR A N 17 ATOM 10691 C CA . TYR A 1 23 ? 3.996 3.432 -14.694 1.00 0.00 ? 23 TYR A CA 17 ATOM 10692 C C . TYR A 1 23 ? 2.481 3.367 -14.529 1.00 0.00 ? 23 TYR A C 17 ATOM 10693 O O . TYR A 1 23 ? 1.921 2.308 -14.246 1.00 0.00 ? 23 TYR A O 17 ATOM 10694 C CB . TYR A 1 23 ? 4.663 3.579 -13.325 1.00 0.00 ? 23 TYR A CB 17 ATOM 10695 C CG . TYR A 1 23 ? 6.129 3.942 -13.402 1.00 0.00 ? 23 TYR A CG 17 ATOM 10696 C CD1 . TYR A 1 23 ? 6.982 3.286 -14.281 1.00 0.00 ? 23 TYR A CD1 17 ATOM 10697 C CD2 . TYR A 1 23 ? 6.661 4.941 -12.596 1.00 0.00 ? 23 TYR A CD2 17 ATOM 10698 C CE1 . TYR A 1 23 ? 8.323 3.613 -14.353 1.00 0.00 ? 23 TYR A CE1 17 ATOM 10699 C CE2 . TYR A 1 23 ? 8.000 5.276 -12.663 1.00 0.00 ? 23 TYR A CE2 17 ATOM 10700 C CZ . TYR A 1 23 ? 8.826 4.609 -13.543 1.00 0.00 ? 23 TYR A CZ 17 ATOM 10701 O OH . TYR A 1 23 ? 10.160 4.939 -13.613 1.00 0.00 ? 23 TYR A OH 17 ATOM 10702 H H . TYR A 1 23 ? 4.904 5.277 -15.195 1.00 0.00 ? 23 TYR A H 17 ATOM 10703 H HA . TYR A 1 23 ? 4.337 2.515 -15.152 1.00 0.00 ? 23 TYR A HA 17 ATOM 10704 H HB2 . TYR A 1 23 ? 4.160 4.355 -12.768 1.00 0.00 ? 23 TYR A HB2 17 ATOM 10705 H HB3 . TYR A 1 23 ? 4.580 2.646 -12.789 1.00 0.00 ? 23 TYR A HB3 17 ATOM 10706 H HD1 . TYR A 1 23 ? 6.584 2.506 -14.914 1.00 0.00 ? 23 TYR A HD1 17 ATOM 10707 H HD2 . TYR A 1 23 ? 6.011 5.462 -11.908 1.00 0.00 ? 23 TYR A HD2 17 ATOM 10708 H HE1 . TYR A 1 23 ? 8.970 3.091 -15.042 1.00 0.00 ? 23 TYR A HE1 17 ATOM 10709 H HE2 . TYR A 1 23 ? 8.395 6.056 -12.028 1.00 0.00 ? 23 TYR A HE2 17 ATOM 10710 H HH . TYR A 1 23 ? 10.691 4.142 -13.540 1.00 0.00 ? 23 TYR A HH 17 ATOM 10711 N N . MET A 1 24 ? 1.823 4.507 -14.709 1.00 0.00 ? 24 MET A N 17 ATOM 10712 C CA . MET A 1 24 ? 0.373 4.581 -14.583 1.00 0.00 ? 24 MET A CA 17 ATOM 10713 C C . MET A 1 24 ? -0.310 3.714 -15.637 1.00 0.00 ? 24 MET A C 17 ATOM 10714 O O . MET A 1 24 ? -1.265 2.997 -15.340 1.00 0.00 ? 24 MET A O 17 ATOM 10715 C CB . MET A 1 24 ? -0.100 6.030 -14.714 1.00 0.00 ? 24 MET A CB 17 ATOM 10716 C CG . MET A 1 24 ? 0.212 6.884 -13.496 1.00 0.00 ? 24 MET A CG 17 ATOM 10717 S SD . MET A 1 24 ? 1.850 7.633 -13.574 1.00 0.00 ? 24 MET A SD 17 ATOM 10718 C CE . MET A 1 24 ? 2.740 6.626 -12.389 1.00 0.00 ? 24 MET A CE 17 ATOM 10719 H H . MET A 1 24 ? 2.325 5.319 -14.933 1.00 0.00 ? 24 MET A H 17 ATOM 10720 H HA . MET A 1 24 ? 0.107 4.212 -13.603 1.00 0.00 ? 24 MET A HA 17 ATOM 10721 H HB2 . MET A 1 24 ? 0.381 6.476 -15.572 1.00 0.00 ? 24 MET A HB2 17 ATOM 10722 H HB3 . MET A 1 24 ? -1.169 6.036 -14.866 1.00 0.00 ? 24 MET A HB3 17 ATOM 10723 H HG2 . MET A 1 24 ? -0.524 7.670 -13.425 1.00 0.00 ? 24 MET A HG2 17 ATOM 10724 H HG3 . MET A 1 24 ? 0.157 6.262 -12.614 1.00 0.00 ? 24 MET A HG3 17 ATOM 10725 H HE1 . MET A 1 24 ? 2.554 5.582 -12.593 1.00 0.00 ? 24 MET A HE1 17 ATOM 10726 H HE2 . MET A 1 24 ? 3.798 6.826 -12.470 1.00 0.00 ? 24 MET A HE2 17 ATOM 10727 H HE3 . MET A 1 24 ? 2.404 6.864 -11.391 1.00 0.00 ? 24 MET A HE3 17 ATOM 10728 N N . TYR A 1 25 ? 0.187 3.785 -16.866 1.00 0.00 ? 25 TYR A N 17 ATOM 10729 C CA . TYR A 1 25 ? -0.376 3.009 -17.964 1.00 0.00 ? 25 TYR A CA 17 ATOM 10730 C C . TYR A 1 25 ? -0.139 1.517 -17.755 1.00 0.00 ? 25 TYR A C 17 ATOM 10731 O O . TYR A 1 25 ? -0.696 0.682 -18.468 1.00 0.00 ? 25 TYR A O 17 ATOM 10732 C CB . TYR A 1 25 ? 0.234 3.452 -19.295 1.00 0.00 ? 25 TYR A CB 17 ATOM 10733 C CG . TYR A 1 25 ? -0.372 4.723 -19.846 1.00 0.00 ? 25 TYR A CG 17 ATOM 10734 C CD1 . TYR A 1 25 ? -0.394 5.889 -19.091 1.00 0.00 ? 25 TYR A CD1 17 ATOM 10735 C CD2 . TYR A 1 25 ? -0.920 4.759 -21.122 1.00 0.00 ? 25 TYR A CD2 17 ATOM 10736 C CE1 . TYR A 1 25 ? -0.947 7.053 -19.590 1.00 0.00 ? 25 TYR A CE1 17 ATOM 10737 C CE2 . TYR A 1 25 ? -1.474 5.918 -21.630 1.00 0.00 ? 25 TYR A CE2 17 ATOM 10738 C CZ . TYR A 1 25 ? -1.485 7.062 -20.859 1.00 0.00 ? 25 TYR A CZ 17 ATOM 10739 O OH . TYR A 1 25 ? -2.036 8.220 -21.360 1.00 0.00 ? 25 TYR A OH 17 ATOM 10740 H H . TYR A 1 25 ? 0.950 4.375 -17.041 1.00 0.00 ? 25 TYR A H 17 ATOM 10741 H HA . TYR A 1 25 ? -1.440 3.193 -17.989 1.00 0.00 ? 25 TYR A HA 17 ATOM 10742 H HB2 . TYR A 1 25 ? 1.291 3.620 -19.161 1.00 0.00 ? 25 TYR A HB2 17 ATOM 10743 H HB3 . TYR A 1 25 ? 0.089 2.671 -20.028 1.00 0.00 ? 25 TYR A HB3 17 ATOM 10744 H HD1 . TYR A 1 25 ? 0.029 5.878 -18.097 1.00 0.00 ? 25 TYR A HD1 17 ATOM 10745 H HD2 . TYR A 1 25 ? -0.910 3.861 -21.723 1.00 0.00 ? 25 TYR A HD2 17 ATOM 10746 H HE1 . TYR A 1 25 ? -0.955 7.949 -18.987 1.00 0.00 ? 25 TYR A HE1 17 ATOM 10747 H HE2 . TYR A 1 25 ? -1.896 5.926 -22.624 1.00 0.00 ? 25 TYR A HE2 17 ATOM 10748 H HH . TYR A 1 25 ? -2.672 8.001 -22.045 1.00 0.00 ? 25 TYR A HH 17 ATOM 10749 N N . SER A 1 26 ? 0.692 1.189 -16.770 1.00 0.00 ? 26 SER A N 17 ATOM 10750 C CA . SER A 1 26 ? 1.007 -0.202 -16.467 1.00 0.00 ? 26 SER A CA 17 ATOM 10751 C C . SER A 1 26 ? -0.030 -0.800 -15.521 1.00 0.00 ? 26 SER A C 17 ATOM 10752 O O . SER A 1 26 ? 0.274 -1.697 -14.734 1.00 0.00 ? 26 SER A O 17 ATOM 10753 C CB . SER A 1 26 ? 2.401 -0.308 -15.847 1.00 0.00 ? 26 SER A CB 17 ATOM 10754 O OG . SER A 1 26 ? 2.925 -1.617 -15.989 1.00 0.00 ? 26 SER A OG 17 ATOM 10755 H H . SER A 1 26 ? 1.105 1.900 -16.237 1.00 0.00 ? 26 SER A H 17 ATOM 10756 H HA . SER A 1 26 ? 0.992 -0.755 -17.394 1.00 0.00 ? 26 SER A HA 17 ATOM 10757 H HB2 . SER A 1 26 ? 3.065 0.387 -16.338 1.00 0.00 ? 26 SER A HB2 17 ATOM 10758 H HB3 . SER A 1 26 ? 2.343 -0.069 -14.795 1.00 0.00 ? 26 SER A HB3 17 ATOM 10759 H HG . SER A 1 26 ? 2.577 -2.179 -15.293 1.00 0.00 ? 26 SER A HG 17 ATOM 10760 N N . HIS A 1 27 ? -1.257 -0.296 -15.603 1.00 0.00 ? 27 HIS A N 17 ATOM 10761 C CA . HIS A 1 27 ? -2.341 -0.780 -14.755 1.00 0.00 ? 27 HIS A CA 17 ATOM 10762 C C . HIS A 1 27 ? -1.961 -0.683 -13.280 1.00 0.00 ? 27 HIS A C 17 ATOM 10763 O O . HIS A 1 27 ? -2.053 -1.662 -12.539 1.00 0.00 ? 27 HIS A O 17 ATOM 10764 C CB . HIS A 1 27 ? -2.689 -2.226 -15.110 1.00 0.00 ? 27 HIS A CB 17 ATOM 10765 C CG . HIS A 1 27 ? -4.127 -2.571 -14.876 1.00 0.00 ? 27 HIS A CG 17 ATOM 10766 N ND1 . HIS A 1 27 ? -4.566 -3.860 -14.662 1.00 0.00 ? 27 HIS A ND1 17 ATOM 10767 C CD2 . HIS A 1 27 ? -5.228 -1.785 -14.821 1.00 0.00 ? 27 HIS A CD2 17 ATOM 10768 C CE1 . HIS A 1 27 ? -5.876 -3.853 -14.487 1.00 0.00 ? 27 HIS A CE1 17 ATOM 10769 N NE2 . HIS A 1 27 ? -6.302 -2.606 -14.579 1.00 0.00 ? 27 HIS A NE2 17 ATOM 10770 H H . HIS A 1 27 ? -1.438 0.418 -16.249 1.00 0.00 ? 27 HIS A H 17 ATOM 10771 H HA . HIS A 1 27 ? -3.204 -0.157 -14.933 1.00 0.00 ? 27 HIS A HA 17 ATOM 10772 H HB2 . HIS A 1 27 ? -2.473 -2.394 -16.155 1.00 0.00 ? 27 HIS A HB2 17 ATOM 10773 H HB3 . HIS A 1 27 ? -2.085 -2.892 -14.511 1.00 0.00 ? 27 HIS A HB3 17 ATOM 10774 H HD1 . HIS A 1 27 ? -4.003 -4.661 -14.643 1.00 0.00 ? 27 HIS A HD1 17 ATOM 10775 H HD2 . HIS A 1 27 ? -5.258 -0.712 -14.945 1.00 0.00 ? 27 HIS A HD2 17 ATOM 10776 H HE1 . HIS A 1 27 ? -6.494 -4.719 -14.301 1.00 0.00 ? 27 HIS A HE1 17 ATOM 10777 N N . CYS A 1 28 ? -1.533 0.503 -12.861 1.00 0.00 ? 28 CYS A N 17 ATOM 10778 C CA . CYS A 1 28 ? -1.138 0.728 -11.476 1.00 0.00 ? 28 CYS A CA 17 ATOM 10779 C C . CYS A 1 28 ? -2.050 1.754 -10.810 1.00 0.00 ? 28 CYS A C 17 ATOM 10780 O O . CYS A 1 28 ? -2.109 1.845 -9.583 1.00 0.00 ? 28 CYS A O 17 ATOM 10781 C CB . CYS A 1 28 ? 0.315 1.201 -11.409 1.00 0.00 ? 28 CYS A CB 17 ATOM 10782 S SG . CYS A 1 28 ? 1.235 0.577 -9.966 1.00 0.00 ? 28 CYS A SG 17 ATOM 10783 H H . CYS A 1 28 ? -1.481 1.246 -13.499 1.00 0.00 ? 28 CYS A H 17 ATOM 10784 H HA . CYS A 1 28 ? -1.226 -0.210 -10.949 1.00 0.00 ? 28 CYS A HA 17 ATOM 10785 H HB2 . CYS A 1 28 ? 0.835 0.871 -12.296 1.00 0.00 ? 28 CYS A HB2 17 ATOM 10786 H HB3 . CYS A 1 28 ? 0.333 2.280 -11.368 1.00 0.00 ? 28 CYS A HB3 17 ATOM 10787 N N . PHE A 1 29 ? -2.760 2.525 -11.627 1.00 0.00 ? 29 PHE A N 17 ATOM 10788 C CA . PHE A 1 29 ? -3.669 3.546 -11.118 1.00 0.00 ? 29 PHE A CA 17 ATOM 10789 C C . PHE A 1 29 ? -5.107 3.247 -11.529 1.00 0.00 ? 29 PHE A C 17 ATOM 10790 O O . PHE A 1 29 ? -6.054 3.679 -10.874 1.00 0.00 ? 29 PHE A O 17 ATOM 10791 C CB . PHE A 1 29 ? -3.256 4.927 -11.630 1.00 0.00 ? 29 PHE A CB 17 ATOM 10792 C CG . PHE A 1 29 ? -2.097 5.522 -10.883 1.00 0.00 ? 29 PHE A CG 17 ATOM 10793 C CD1 . PHE A 1 29 ? -0.898 4.835 -10.777 1.00 0.00 ? 29 PHE A CD1 17 ATOM 10794 C CD2 . PHE A 1 29 ? -2.205 6.767 -10.285 1.00 0.00 ? 29 PHE A CD2 17 ATOM 10795 C CE1 . PHE A 1 29 ? 0.171 5.379 -10.091 1.00 0.00 ? 29 PHE A CE1 17 ATOM 10796 C CE2 . PHE A 1 29 ? -1.140 7.317 -9.598 1.00 0.00 ? 29 PHE A CE2 17 ATOM 10797 C CZ . PHE A 1 29 ? 0.050 6.621 -9.500 1.00 0.00 ? 29 PHE A CZ 17 ATOM 10798 H H . PHE A 1 29 ? -2.669 2.405 -12.596 1.00 0.00 ? 29 PHE A H 17 ATOM 10799 H HA . PHE A 1 29 ? -3.606 3.537 -10.041 1.00 0.00 ? 29 PHE A HA 17 ATOM 10800 H HB2 . PHE A 1 29 ? -2.975 4.849 -12.669 1.00 0.00 ? 29 PHE A HB2 17 ATOM 10801 H HB3 . PHE A 1 29 ? -4.094 5.602 -11.537 1.00 0.00 ? 29 PHE A HB3 17 ATOM 10802 H HD1 . PHE A 1 29 ? -0.802 3.862 -11.239 1.00 0.00 ? 29 PHE A HD1 17 ATOM 10803 H HD2 . PHE A 1 29 ? -3.135 7.312 -10.360 1.00 0.00 ? 29 PHE A HD2 17 ATOM 10804 H HE1 . PHE A 1 29 ? 1.100 4.832 -10.016 1.00 0.00 ? 29 PHE A HE1 17 ATOM 10805 H HE2 . PHE A 1 29 ? -1.237 8.288 -9.136 1.00 0.00 ? 29 PHE A HE2 17 ATOM 10806 H HZ . PHE A 1 29 ? 0.884 7.049 -8.964 1.00 0.00 ? 29 PHE A HZ 17 ATOM 10807 N N . GLY A 1 30 ? -5.262 2.504 -12.621 1.00 0.00 ? 30 GLY A N 17 ATOM 10808 C CA . GLY A 1 30 ? -6.587 2.160 -13.103 1.00 0.00 ? 30 GLY A CA 17 ATOM 10809 C C . GLY A 1 30 ? -7.186 3.245 -13.976 1.00 0.00 ? 30 GLY A C 17 ATOM 10810 O O . GLY A 1 30 ? -8.404 3.425 -14.008 1.00 0.00 ? 30 GLY A O 17 ATOM 10811 H H . GLY A 1 30 ? -4.470 2.187 -13.104 1.00 0.00 ? 30 GLY A H 17 ATOM 10812 H HA2 . GLY A 1 30 ? -6.525 1.246 -13.674 1.00 0.00 ? 30 GLY A HA2 17 ATOM 10813 H HA3 . GLY A 1 30 ? -7.235 1.999 -12.254 1.00 0.00 ? 30 GLY A HA3 17 ATOM 10814 N N . VAL A 1 31 ? -6.329 3.972 -14.686 1.00 0.00 ? 31 VAL A N 17 ATOM 10815 C CA . VAL A 1 31 ? -6.780 5.046 -15.563 1.00 0.00 ? 31 VAL A CA 17 ATOM 10816 C C . VAL A 1 31 ? -6.777 4.602 -17.021 1.00 0.00 ? 31 VAL A C 17 ATOM 10817 O O . VAL A 1 31 ? -7.613 5.034 -17.816 1.00 0.00 ? 31 VAL A O 17 ATOM 10818 C CB . VAL A 1 31 ? -5.897 6.299 -15.416 1.00 0.00 ? 31 VAL A CB 17 ATOM 10819 C CG1 . VAL A 1 31 ? -5.946 6.823 -13.989 1.00 0.00 ? 31 VAL A CG1 17 ATOM 10820 C CG2 . VAL A 1 31 ? -4.466 5.993 -15.832 1.00 0.00 ? 31 VAL A CG2 17 ATOM 10821 H H . VAL A 1 31 ? -5.370 3.781 -14.618 1.00 0.00 ? 31 VAL A H 17 ATOM 10822 H HA . VAL A 1 31 ? -7.789 5.307 -15.279 1.00 0.00 ? 31 VAL A HA 17 ATOM 10823 H HB . VAL A 1 31 ? -6.283 7.066 -16.072 1.00 0.00 ? 31 VAL A HB 17 ATOM 10824 H HG11 . VAL A 1 31 ? -5.763 6.011 -13.301 1.00 0.00 ? 31 VAL A HG11 17 ATOM 10825 H HG12 . VAL A 1 31 ? -5.190 7.584 -13.859 1.00 0.00 ? 31 VAL A HG12 17 ATOM 10826 H HG13 . VAL A 1 31 ? -6.920 7.246 -13.795 1.00 0.00 ? 31 VAL A HG13 17 ATOM 10827 H HG21 . VAL A 1 31 ? -4.291 4.929 -15.767 1.00 0.00 ? 31 VAL A HG21 17 ATOM 10828 H HG22 . VAL A 1 31 ? -4.309 6.323 -16.848 1.00 0.00 ? 31 VAL A HG22 17 ATOM 10829 H HG23 . VAL A 1 31 ? -3.781 6.510 -15.176 1.00 0.00 ? 31 VAL A HG23 17 ATOM 10830 N N . LYS A 1 32 ? -5.831 3.736 -17.368 1.00 0.00 ? 32 LYS A N 17 ATOM 10831 C CA . LYS A 1 32 ? -5.717 3.231 -18.731 1.00 0.00 ? 32 LYS A CA 17 ATOM 10832 C C . LYS A 1 32 ? -7.055 2.688 -19.223 1.00 0.00 ? 32 LYS A C 17 ATOM 10833 O O . LYS A 1 32 ? -7.827 2.118 -18.450 1.00 0.00 ? 32 LYS A O 17 ATOM 10834 C CB . LYS A 1 32 ? -4.652 2.134 -18.804 1.00 0.00 ? 32 LYS A CB 17 ATOM 10835 C CG . LYS A 1 32 ? -4.661 1.363 -20.112 1.00 0.00 ? 32 LYS A CG 17 ATOM 10836 C CD . LYS A 1 32 ? -3.286 0.807 -20.442 1.00 0.00 ? 32 LYS A CD 17 ATOM 10837 C CE . LYS A 1 32 ? -2.434 1.829 -21.178 1.00 0.00 ? 32 LYS A CE 17 ATOM 10838 N NZ . LYS A 1 32 ? -1.528 1.185 -22.169 1.00 0.00 ? 32 LYS A NZ 17 ATOM 10839 H H . LYS A 1 32 ? -5.193 3.428 -16.690 1.00 0.00 ? 32 LYS A H 17 ATOM 10840 H HA . LYS A 1 32 ? -5.421 4.052 -19.366 1.00 0.00 ? 32 LYS A HA 17 ATOM 10841 H HB2 . LYS A 1 32 ? -3.679 2.586 -18.683 1.00 0.00 ? 32 LYS A HB2 17 ATOM 10842 H HB3 . LYS A 1 32 ? -4.817 1.435 -17.997 1.00 0.00 ? 32 LYS A HB3 17 ATOM 10843 H HG2 . LYS A 1 32 ? -5.359 0.543 -20.031 1.00 0.00 ? 32 LYS A HG2 17 ATOM 10844 H HG3 . LYS A 1 32 ? -4.972 2.025 -20.908 1.00 0.00 ? 32 LYS A HG3 17 ATOM 10845 H HD2 . LYS A 1 32 ? -2.788 0.535 -19.523 1.00 0.00 ? 32 LYS A HD2 17 ATOM 10846 H HD3 . LYS A 1 32 ? -3.401 -0.069 -21.064 1.00 0.00 ? 32 LYS A HD3 17 ATOM 10847 H HE2 . LYS A 1 32 ? -3.086 2.518 -21.693 1.00 0.00 ? 32 LYS A HE2 17 ATOM 10848 H HE3 . LYS A 1 32 ? -1.838 2.369 -20.457 1.00 0.00 ? 32 LYS A HE3 17 ATOM 10849 H HZ1 . LYS A 1 32 ? -2.081 0.614 -22.840 1.00 0.00 ? 32 LYS A HZ1 17 ATOM 10850 H HZ2 . LYS A 1 32 ? -0.848 0.567 -21.683 1.00 0.00 ? 32 LYS A HZ2 17 ATOM 10851 H HZ3 . LYS A 1 32 ? -1.003 1.910 -22.698 1.00 0.00 ? 32 LYS A HZ3 17 ATOM 10852 N N . HIS A 1 33 ? -7.324 2.866 -20.512 1.00 0.00 ? 33 HIS A N 17 ATOM 10853 C CA . HIS A 1 33 ? -8.568 2.392 -21.107 1.00 0.00 ? 33 HIS A CA 17 ATOM 10854 C C . HIS A 1 33 ? -8.300 1.264 -22.099 1.00 0.00 ? 33 HIS A C 17 ATOM 10855 O O . HIS A 1 33 ? -7.295 1.274 -22.809 1.00 0.00 ? 33 HIS A O 17 ATOM 10856 C CB . HIS A 1 33 ? -9.294 3.541 -21.807 1.00 0.00 ? 33 HIS A CB 17 ATOM 10857 C CG . HIS A 1 33 ? -10.730 3.245 -22.112 1.00 0.00 ? 33 HIS A CG 17 ATOM 10858 N ND1 . HIS A 1 33 ? -11.336 3.597 -23.300 1.00 0.00 ? 33 HIS A ND1 17 ATOM 10859 C CD2 . HIS A 1 33 ? -11.682 2.626 -21.375 1.00 0.00 ? 33 HIS A CD2 17 ATOM 10860 C CE1 . HIS A 1 33 ? -12.598 3.208 -23.280 1.00 0.00 ? 33 HIS A CE1 17 ATOM 10861 N NE2 . HIS A 1 33 ? -12.833 2.616 -22.123 1.00 0.00 ? 33 HIS A NE2 17 ATOM 10862 H H . HIS A 1 33 ? -6.669 3.327 -21.077 1.00 0.00 ? 33 HIS A H 17 ATOM 10863 H HA . HIS A 1 33 ? -9.193 2.014 -20.312 1.00 0.00 ? 33 HIS A HA 17 ATOM 10864 H HB2 . HIS A 1 33 ? -9.263 4.416 -21.175 1.00 0.00 ? 33 HIS A HB2 17 ATOM 10865 H HB3 . HIS A 1 33 ? -8.794 3.759 -22.740 1.00 0.00 ? 33 HIS A HB3 17 ATOM 10866 H HD1 . HIS A 1 33 ? -10.905 4.064 -24.045 1.00 0.00 ? 33 HIS A HD1 17 ATOM 10867 H HD2 . HIS A 1 33 ? -11.559 2.216 -20.382 1.00 0.00 ? 33 HIS A HD2 17 ATOM 10868 H HE1 . HIS A 1 33 ? -13.316 3.349 -24.074 1.00 0.00 ? 33 HIS A HE1 17 ATOM 10869 N N . SER A 1 34 ? -9.207 0.292 -22.142 1.00 0.00 ? 34 SER A N 17 ATOM 10870 C CA . SER A 1 34 ? -9.066 -0.845 -23.044 1.00 0.00 ? 34 SER A CA 17 ATOM 10871 C C . SER A 1 34 ? -10.428 -1.301 -23.559 1.00 0.00 ? 34 SER A C 17 ATOM 10872 O O . SER A 1 34 ? -11.356 -1.522 -22.781 1.00 0.00 ? 34 SER A O 17 ATOM 10873 C CB . SER A 1 34 ? -8.363 -2.003 -22.332 1.00 0.00 ? 34 SER A CB 17 ATOM 10874 O OG . SER A 1 34 ? -6.955 -1.873 -22.415 1.00 0.00 ? 34 SER A OG 17 ATOM 10875 H H . SER A 1 34 ? -9.987 0.341 -21.551 1.00 0.00 ? 34 SER A H 17 ATOM 10876 H HA . SER A 1 34 ? -8.463 -0.530 -23.883 1.00 0.00 ? 34 SER A HA 17 ATOM 10877 H HB2 . SER A 1 34 ? -8.651 -2.011 -21.292 1.00 0.00 ? 34 SER A HB2 17 ATOM 10878 H HB3 . SER A 1 34 ? -8.655 -2.935 -22.794 1.00 0.00 ? 34 SER A HB3 17 ATOM 10879 H HG . SER A 1 34 ? -6.585 -2.650 -22.840 1.00 0.00 ? 34 SER A HG 17 ATOM 10880 N N . SER A 1 35 ? -10.538 -1.441 -24.876 1.00 0.00 ? 35 SER A N 17 ATOM 10881 C CA . SER A 1 35 ? -11.787 -1.867 -25.498 1.00 0.00 ? 35 SER A CA 17 ATOM 10882 C C . SER A 1 35 ? -11.918 -3.386 -25.466 1.00 0.00 ? 35 SER A C 17 ATOM 10883 O O . SER A 1 35 ? -13.013 -3.923 -25.303 1.00 0.00 ? 35 SER A O 17 ATOM 10884 C CB . SER A 1 35 ? -11.859 -1.367 -26.942 1.00 0.00 ? 35 SER A CB 17 ATOM 10885 O OG . SER A 1 35 ? -13.089 -1.727 -27.545 1.00 0.00 ? 35 SER A OG 17 ATOM 10886 H H . SER A 1 35 ? -9.762 -1.250 -25.444 1.00 0.00 ? 35 SER A H 17 ATOM 10887 H HA . SER A 1 35 ? -12.601 -1.435 -24.935 1.00 0.00 ? 35 SER A HA 17 ATOM 10888 H HB2 . SER A 1 35 ? -11.768 -0.291 -26.953 1.00 0.00 ? 35 SER A HB2 17 ATOM 10889 H HB3 . SER A 1 35 ? -11.051 -1.803 -27.511 1.00 0.00 ? 35 SER A HB3 17 ATOM 10890 H HG . SER A 1 35 ? -13.221 -1.205 -28.340 1.00 0.00 ? 35 SER A HG 17 ATOM 10891 N N . GLY A 1 36 ? -10.792 -4.075 -25.624 1.00 0.00 ? 36 GLY A N 17 ATOM 10892 C CA . GLY A 1 36 ? -10.802 -5.526 -25.611 1.00 0.00 ? 36 GLY A CA 17 ATOM 10893 C C . GLY A 1 36 ? -10.155 -6.099 -24.365 1.00 0.00 ? 36 GLY A C 17 ATOM 10894 O O . GLY A 1 36 ? -10.812 -6.274 -23.340 1.00 0.00 ? 36 GLY A O 17 ATOM 10895 H H . GLY A 1 36 ? -9.947 -3.594 -25.750 1.00 0.00 ? 36 GLY A H 17 ATOM 10896 H HA2 . GLY A 1 36 ? -11.824 -5.869 -25.663 1.00 0.00 ? 36 GLY A HA2 17 ATOM 10897 H HA3 . GLY A 1 36 ? -10.267 -5.886 -26.478 1.00 0.00 ? 36 GLY A HA3 17 ATOM 10898 N N . GLY A 1 37 ? -8.861 -6.394 -24.454 1.00 0.00 ? 37 GLY A N 17 ATOM 10899 C CA . GLY A 1 37 ? -8.148 -6.950 -23.319 1.00 0.00 ? 37 GLY A CA 17 ATOM 10900 C C . GLY A 1 37 ? -6.744 -7.395 -23.679 1.00 0.00 ? 37 GLY A C 17 ATOM 10901 O O . GLY A 1 37 ? -6.557 -8.226 -24.567 1.00 0.00 ? 37 GLY A O 17 ATOM 10902 H H . GLY A 1 37 ? -8.388 -6.234 -25.298 1.00 0.00 ? 37 GLY A H 17 ATOM 10903 H HA2 . GLY A 1 37 ? -8.089 -6.201 -22.544 1.00 0.00 ? 37 GLY A HA2 17 ATOM 10904 H HA3 . GLY A 1 37 ? -8.698 -7.800 -22.944 1.00 0.00 ? 37 GLY A HA3 17 ATOM 10905 N N . GLY A 1 38 ? -5.753 -6.839 -22.988 1.00 0.00 ? 38 GLY A N 17 ATOM 10906 C CA . GLY A 1 38 ? -4.372 -7.195 -23.255 1.00 0.00 ? 38 GLY A CA 17 ATOM 10907 C C . GLY A 1 38 ? -3.512 -7.161 -22.007 1.00 0.00 ? 38 GLY A C 17 ATOM 10908 O O . GLY A 1 38 ? -3.552 -6.196 -21.244 1.00 0.00 ? 38 GLY A O 17 ATOM 10909 H H . GLY A 1 38 ? -5.962 -6.182 -22.291 1.00 0.00 ? 38 GLY A H 17 ATOM 10910 H HA2 . GLY A 1 38 ? -4.342 -8.190 -23.673 1.00 0.00 ? 38 GLY A HA2 17 ATOM 10911 H HA3 . GLY A 1 38 ? -3.966 -6.501 -23.976 1.00 0.00 ? 38 GLY A HA3 17 ATOM 10912 N N . GLY A 1 39 ? -2.734 -8.218 -21.797 1.00 0.00 ? 39 GLY A N 17 ATOM 10913 C CA . GLY A 1 39 ? -1.873 -8.285 -20.630 1.00 0.00 ? 39 GLY A CA 17 ATOM 10914 C C . GLY A 1 39 ? -1.026 -9.542 -20.606 1.00 0.00 ? 39 GLY A C 17 ATOM 10915 O O . GLY A 1 39 ? -1.502 -10.626 -20.944 1.00 0.00 ? 39 GLY A O 17 ATOM 10916 H H . GLY A 1 39 ? -2.744 -8.958 -22.439 1.00 0.00 ? 39 GLY A H 17 ATOM 10917 H HA2 . GLY A 1 39 ? -1.222 -7.424 -20.626 1.00 0.00 ? 39 GLY A HA2 17 ATOM 10918 H HA3 . GLY A 1 39 ? -2.488 -8.263 -19.742 1.00 0.00 ? 39 GLY A HA3 17 ATOM 10919 N N . SER A 1 40 ? 0.234 -9.397 -20.208 1.00 0.00 ? 40 SER A N 17 ATOM 10920 C CA . SER A 1 40 ? 1.151 -10.528 -20.148 1.00 0.00 ? 40 SER A CA 17 ATOM 10921 C C . SER A 1 40 ? 0.741 -11.502 -19.047 1.00 0.00 ? 40 SER A C 17 ATOM 10922 O O . SER A 1 40 ? 0.990 -12.704 -19.141 1.00 0.00 ? 40 SER A O 17 ATOM 10923 C CB . SER A 1 40 ? 2.581 -10.041 -19.905 1.00 0.00 ? 40 SER A CB 17 ATOM 10924 O OG . SER A 1 40 ? 2.954 -9.062 -20.860 1.00 0.00 ? 40 SER A OG 17 ATOM 10925 H H . SER A 1 40 ? 0.554 -8.507 -19.952 1.00 0.00 ? 40 SER A H 17 ATOM 10926 H HA . SER A 1 40 ? 1.111 -11.040 -21.098 1.00 0.00 ? 40 SER A HA 17 ATOM 10927 H HB2 . SER A 1 40 ? 2.649 -9.608 -18.919 1.00 0.00 ? 40 SER A HB2 17 ATOM 10928 H HB3 . SER A 1 40 ? 3.261 -10.877 -19.980 1.00 0.00 ? 40 SER A HB3 17 ATOM 10929 H HG . SER A 1 40 ? 3.811 -9.286 -21.230 1.00 0.00 ? 40 SER A HG 17 ATOM 10930 N N . TYR A 1 41 ? 0.111 -10.974 -18.004 1.00 0.00 ? 41 TYR A N 17 ATOM 10931 C CA . TYR A 1 41 ? -0.333 -11.794 -16.883 1.00 0.00 ? 41 TYR A CA 17 ATOM 10932 C C . TYR A 1 41 ? -1.769 -11.456 -16.495 1.00 0.00 ? 41 TYR A C 17 ATOM 10933 O O . TYR A 1 41 ? -2.272 -10.377 -16.810 1.00 0.00 ? 41 TYR A O 17 ATOM 10934 C CB . TYR A 1 41 ? 0.592 -11.596 -15.681 1.00 0.00 ? 41 TYR A CB 17 ATOM 10935 C CG . TYR A 1 41 ? 0.693 -12.812 -14.788 1.00 0.00 ? 41 TYR A CG 17 ATOM 10936 C CD1 . TYR A 1 41 ? -0.206 -13.009 -13.746 1.00 0.00 ? 41 TYR A CD1 17 ATOM 10937 C CD2 . TYR A 1 41 ? 1.687 -13.762 -14.983 1.00 0.00 ? 41 TYR A CD2 17 ATOM 10938 C CE1 . TYR A 1 41 ? -0.118 -14.117 -12.927 1.00 0.00 ? 41 TYR A CE1 17 ATOM 10939 C CE2 . TYR A 1 41 ? 1.781 -14.875 -14.170 1.00 0.00 ? 41 TYR A CE2 17 ATOM 10940 C CZ . TYR A 1 41 ? 0.877 -15.048 -13.143 1.00 0.00 ? 41 TYR A CZ 17 ATOM 10941 O OH . TYR A 1 41 ? 0.969 -16.153 -12.329 1.00 0.00 ? 41 TYR A OH 17 ATOM 10942 H H . TYR A 1 41 ? -0.059 -10.009 -17.986 1.00 0.00 ? 41 TYR A H 17 ATOM 10943 H HA . TYR A 1 41 ? -0.289 -12.829 -17.192 1.00 0.00 ? 41 TYR A HA 17 ATOM 10944 H HB2 . TYR A 1 41 ? 1.585 -11.362 -16.034 1.00 0.00 ? 41 TYR A HB2 17 ATOM 10945 H HB3 . TYR A 1 41 ? 0.225 -10.775 -15.084 1.00 0.00 ? 41 TYR A HB3 17 ATOM 10946 H HD1 . TYR A 1 41 ? -0.985 -12.278 -13.580 1.00 0.00 ? 41 TYR A HD1 17 ATOM 10947 H HD2 . TYR A 1 41 ? 2.394 -13.624 -15.788 1.00 0.00 ? 41 TYR A HD2 17 ATOM 10948 H HE1 . TYR A 1 41 ? -0.826 -14.253 -12.123 1.00 0.00 ? 41 TYR A HE1 17 ATOM 10949 H HE2 . TYR A 1 41 ? 2.561 -15.603 -14.338 1.00 0.00 ? 41 TYR A HE2 17 ATOM 10950 H HH . TYR A 1 41 ? 0.333 -16.814 -12.614 1.00 0.00 ? 41 TYR A HH 17 ATOM 10951 N N . HIS A 1 42 ? -2.424 -12.386 -15.807 1.00 0.00 ? 42 HIS A N 17 ATOM 10952 C CA . HIS A 1 42 ? -3.802 -12.188 -15.374 1.00 0.00 ? 42 HIS A CA 17 ATOM 10953 C C . HIS A 1 42 ? -3.851 -11.648 -13.948 1.00 0.00 ? 42 HIS A C 17 ATOM 10954 O O . HIS A 1 42 ? -4.703 -12.043 -13.152 1.00 0.00 ? 42 HIS A O 17 ATOM 10955 C CB . HIS A 1 42 ? -4.581 -13.500 -15.461 1.00 0.00 ? 42 HIS A CB 17 ATOM 10956 C CG . HIS A 1 42 ? -4.994 -13.860 -16.855 1.00 0.00 ? 42 HIS A CG 17 ATOM 10957 N ND1 . HIS A 1 42 ? -5.877 -14.880 -17.139 1.00 0.00 ? 42 HIS A ND1 17 ATOM 10958 C CD2 . HIS A 1 42 ? -4.641 -13.328 -18.048 1.00 0.00 ? 42 HIS A CD2 17 ATOM 10959 C CE1 . HIS A 1 42 ? -6.049 -14.961 -18.446 1.00 0.00 ? 42 HIS A CE1 17 ATOM 10960 N NE2 . HIS A 1 42 ? -5.310 -14.029 -19.021 1.00 0.00 ? 42 HIS A NE2 17 ATOM 10961 H H . HIS A 1 42 ? -1.969 -13.226 -15.586 1.00 0.00 ? 42 HIS A H 17 ATOM 10962 H HA . HIS A 1 42 ? -4.257 -11.465 -16.035 1.00 0.00 ? 42 HIS A HA 17 ATOM 10963 H HB2 . HIS A 1 42 ? -3.965 -14.302 -15.081 1.00 0.00 ? 42 HIS A HB2 17 ATOM 10964 H HB3 . HIS A 1 42 ? -5.475 -13.423 -14.859 1.00 0.00 ? 42 HIS A HB3 17 ATOM 10965 H HD1 . HIS A 1 42 ? -6.313 -15.460 -16.480 1.00 0.00 ? 42 HIS A HD1 17 ATOM 10966 H HD2 . HIS A 1 42 ? -3.960 -12.504 -18.207 1.00 0.00 ? 42 HIS A HD2 17 ATOM 10967 H HE1 . HIS A 1 42 ? -6.684 -15.668 -18.958 1.00 0.00 ? 42 HIS A HE1 17 ATOM 10968 N N . CYS A 1 43 ? -2.930 -10.743 -13.631 1.00 0.00 ? 43 CYS A N 17 ATOM 10969 C CA . CYS A 1 43 ? -2.867 -10.149 -12.301 1.00 0.00 ? 43 CYS A CA 17 ATOM 10970 C C . CYS A 1 43 ? -3.378 -8.712 -12.322 1.00 0.00 ? 43 CYS A C 17 ATOM 10971 O O . CYS A 1 43 ? -4.405 -8.429 -11.708 1.00 0.00 ? 43 CYS A O 17 ATOM 10972 C CB . CYS A 1 43 ? -1.431 -10.184 -11.772 1.00 0.00 ? 43 CYS A CB 17 ATOM 10973 S SG . CYS A 1 43 ? -0.256 -9.189 -12.746 1.00 0.00 ? 43 CYS A SG 17 ATOM 10974 H H . CYS A 1 43 ? -2.277 -10.468 -14.309 1.00 0.00 ? 43 CYS A H 17 ATOM 10975 H HA . CYS A 1 43 ? -3.496 -10.733 -11.647 1.00 0.00 ? 43 CYS A HA 17 ATOM 10976 H HB2 . CYS A 1 43 ? -1.420 -9.808 -10.760 1.00 0.00 ? 43 CYS A HB2 17 ATOM 10977 H HB3 . CYS A 1 43 ? -1.080 -11.205 -11.775 1.00 0.00 ? 43 CYS A HB3 17 HETATM 10978 C C1 . NAG B 2 . ? 6.004 19.268 -20.589 1.00 0.00 ? 101 NAG A C1 17 HETATM 10979 C C2 . NAG B 2 . ? 6.193 20.398 -19.576 1.00 0.00 ? 101 NAG A C2 17 HETATM 10980 C C3 . NAG B 2 . ? 6.674 21.655 -20.309 1.00 0.00 ? 101 NAG A C3 17 HETATM 10981 C C4 . NAG B 2 . ? 7.918 21.297 -21.129 1.00 0.00 ? 101 NAG A C4 17 HETATM 10982 C C5 . NAG B 2 . ? 7.599 20.099 -22.025 1.00 0.00 ? 101 NAG A C5 17 HETATM 10983 C C6 . NAG B 2 . ? 8.827 19.756 -22.871 1.00 0.00 ? 101 NAG A C6 17 HETATM 10984 C C7 . NAG B 2 . ? 4.592 20.027 -17.776 1.00 0.00 ? 101 NAG A C7 17 HETATM 10985 C C8 . NAG B 2 . ? 3.282 20.314 -17.091 1.00 0.00 ? 101 NAG A C8 17 HETATM 10986 N N2 . NAG B 2 . ? 4.919 20.678 -18.910 1.00 0.00 ? 101 NAG A N2 17 HETATM 10987 O O3 . NAG B 2 . ? 7.001 22.675 -19.364 1.00 0.00 ? 101 NAG A O3 17 HETATM 10988 O O4 . NAG B 2 . ? 8.298 22.411 -21.939 1.00 0.00 ? 101 NAG A O4 17 HETATM 10989 O O5 . NAG B 2 . ? 7.248 18.974 -21.222 1.00 0.00 ? 101 NAG A O5 17 HETATM 10990 O O6 . NAG B 2 . ? 8.530 18.641 -23.713 1.00 0.00 ? 101 NAG A O6 17 HETATM 10991 O O7 . NAG B 2 . ? 5.355 19.208 -17.307 1.00 0.00 ? 101 NAG A O7 17 HETATM 10992 H H1 . NAG B 2 . ? 5.275 19.582 -21.350 1.00 0.00 ? 101 NAG A H1 17 HETATM 10993 H H2 . NAG B 2 . ? 6.937 20.099 -18.823 1.00 0.00 ? 101 NAG A H2 17 HETATM 10994 H H3 . NAG B 2 . ? 5.878 22.026 -20.971 1.00 0.00 ? 101 NAG A H3 17 HETATM 10995 H H4 . NAG B 2 . ? 8.747 21.045 -20.451 1.00 0.00 ? 101 NAG A H4 17 HETATM 10996 H H5 . NAG B 2 . ? 6.755 20.352 -22.684 1.00 0.00 ? 101 NAG A H5 17 HETATM 10997 H H61 . NAG B 2 . ? 9.119 20.624 -23.482 1.00 0.00 ? 101 NAG A H61 17 HETATM 10998 H H62 . NAG B 2 . ? 9.681 19.520 -22.218 1.00 0.00 ? 101 NAG A H62 17 HETATM 10999 H H81 . NAG B 2 . ? 3.269 21.359 -16.748 1.00 0.00 ? 101 NAG A H81 17 HETATM 11000 H H82 . NAG B 2 . ? 2.455 20.150 -17.797 1.00 0.00 ? 101 NAG A H82 17 HETATM 11001 H H83 . NAG B 2 . ? 3.164 19.643 -16.227 1.00 0.00 ? 101 NAG A H83 17 HETATM 11002 H HN2 . NAG B 2 . ? 4.291 21.353 -19.297 1.00 0.00 ? 101 NAG A HN2 17 HETATM 11003 H HO3 . NAG B 2 . ? 7.315 23.491 -19.849 1.00 0.00 ? 101 NAG A HO3 17 HETATM 11004 H HO4 . NAG B 2 . ? 9.288 22.401 -22.077 1.00 0.00 ? 101 NAG A HO4 17 HETATM 11005 H HO6 . NAG B 2 . ? 7.929 18.006 -23.226 1.00 0.00 ? 101 NAG A HO6 17 HETATM 11006 C C1 . NAG C 2 . ? 1.335 -8.628 -11.695 1.00 0.00 ? 102 NAG A C1 17 HETATM 11007 C C2 . NAG C 2 . ? 2.433 -8.581 -10.632 1.00 0.00 ? 102 NAG A C2 17 HETATM 11008 C C3 . NAG C 2 . ? 3.028 -7.169 -10.588 1.00 0.00 ? 102 NAG A C3 17 HETATM 11009 C C4 . NAG C 2 . ? 3.470 -6.779 -12.003 1.00 0.00 ? 102 NAG A C4 17 HETATM 11010 C C5 . NAG C 2 . ? 2.292 -6.963 -12.962 1.00 0.00 ? 102 NAG A C5 17 HETATM 11011 C C6 . NAG C 2 . ? 2.716 -6.544 -14.372 1.00 0.00 ? 102 NAG A C6 17 HETATM 11012 C C7 . NAG C 2 . ? 1.837 -10.195 -8.907 1.00 0.00 ? 102 NAG A C7 17 HETATM 11013 C C8 . NAG C 2 . ? 1.252 -10.537 -7.562 1.00 0.00 ? 102 NAG A C8 17 HETATM 11014 N N2 . NAG C 2 . ? 1.866 -8.914 -9.324 1.00 0.00 ? 102 NAG A N2 17 HETATM 11015 O O3 . NAG C 2 . ? 4.155 -7.143 -9.710 1.00 0.00 ? 102 NAG A O3 17 HETATM 11016 O O4 . NAG C 2 . ? 3.889 -5.413 -12.017 1.00 0.00 ? 102 NAG A O4 17 HETATM 11017 O O5 . NAG C 2 . ? 1.888 -8.330 -12.975 1.00 0.00 ? 102 NAG A O5 17 HETATM 11018 O O6 . NAG C 2 . ? 1.617 -6.709 -15.269 1.00 0.00 ? 102 NAG A O6 17 HETATM 11019 O O7 . NAG C 2 . ? 2.282 -11.072 -9.616 1.00 0.00 ? 102 NAG A O7 17 HETATM 11020 H H1 . NAG C 2 . ? 0.562 -7.884 -11.452 1.00 0.00 ? 102 NAG A H1 17 HETATM 11021 H H2 . NAG C 2 . ? 3.221 -9.308 -10.881 1.00 0.00 ? 102 NAG A H2 17 HETATM 11022 H H3 . NAG C 2 . ? 2.274 -6.460 -10.217 1.00 0.00 ? 102 NAG A H3 17 HETATM 11023 H H4 . NAG C 2 . ? 4.309 -7.417 -12.317 1.00 0.00 ? 102 NAG A H4 17 HETATM 11024 H H5 . NAG C 2 . ? 1.450 -6.339 -12.629 1.00 0.00 ? 102 NAG A H5 17 HETATM 11025 H H61 . NAG C 2 . ? 3.048 -5.494 -14.370 1.00 0.00 ? 102 NAG A H61 17 HETATM 11026 H H62 . NAG C 2 . ? 3.571 -7.152 -14.705 1.00 0.00 ? 102 NAG A H62 17 HETATM 11027 H H81 . NAG C 2 . ? 2.063 -10.653 -6.828 1.00 0.00 ? 102 NAG A H81 17 HETATM 11028 H H82 . NAG C 2 . ? 0.579 -9.731 -7.238 1.00 0.00 ? 102 NAG A H82 17 HETATM 11029 H H83 . NAG C 2 . ? 0.687 -11.478 -7.635 1.00 0.00 ? 102 NAG A H83 17 HETATM 11030 H HN2 . NAG C 2 . ? 1.499 -8.190 -8.740 1.00 0.00 ? 102 NAG A HN2 17 HETATM 11031 H HO3 . NAG C 2 . ? 4.540 -6.220 -9.687 1.00 0.00 ? 102 NAG A HO3 17 HETATM 11032 H HO4 . NAG C 2 . ? 4.592 -5.287 -12.716 1.00 0.00 ? 102 NAG A HO4 17 HETATM 11033 H HO6 . NAG C 2 . ? 1.090 -7.518 -15.006 1.00 0.00 ? 102 NAG A HO6 17 ATOM 11034 N N . LYS A 1 1 ? 1.502 -2.329 -4.633 1.00 0.00 ? 1 LYS A N 18 ATOM 11035 C CA . LYS A 1 1 ? 2.120 -1.644 -5.762 1.00 0.00 ? 1 LYS A CA 18 ATOM 11036 C C . LYS A 1 1 ? 3.640 -1.638 -5.629 1.00 0.00 ? 1 LYS A C 18 ATOM 11037 O O . LYS A 1 1 ? 4.191 -1.729 -4.532 1.00 0.00 ? 1 LYS A O 18 ATOM 11038 C CB . LYS A 1 1 ? 1.601 -0.207 -5.860 1.00 0.00 ? 1 LYS A CB 18 ATOM 11039 C CG . LYS A 1 1 ? 1.777 0.592 -4.581 1.00 0.00 ? 1 LYS A CG 18 ATOM 11040 C CD . LYS A 1 1 ? 0.687 1.638 -4.422 1.00 0.00 ? 1 LYS A CD 18 ATOM 11041 C CE . LYS A 1 1 ? -0.602 1.024 -3.898 1.00 0.00 ? 1 LYS A CE 18 ATOM 11042 N NZ . LYS A 1 1 ? -0.481 0.612 -2.472 1.00 0.00 ? 1 LYS A NZ 18 ATOM 11043 H H1 . LYS A 1 1 ? 0.524 -2.384 -4.585 1.00 0.00 ? 1 LYS A H1 18 ATOM 11044 H HA . LYS A 1 1 ? 1.852 -2.177 -6.661 1.00 0.00 ? 1 LYS A HA 18 ATOM 11045 H HB2 . LYS A 1 1 ? 2.129 0.301 -6.653 1.00 0.00 ? 1 LYS A HB2 18 ATOM 11046 H HB3 . LYS A 1 1 ? 0.548 -0.234 -6.101 1.00 0.00 ? 1 LYS A HB3 18 ATOM 11047 H HG2 . LYS A 1 1 ? 1.740 -0.082 -3.738 1.00 0.00 ? 1 LYS A HG2 18 ATOM 11048 H HG3 . LYS A 1 1 ? 2.737 1.087 -4.606 1.00 0.00 ? 1 LYS A HG3 18 ATOM 11049 H HD2 . LYS A 1 1 ? 1.022 2.392 -3.726 1.00 0.00 ? 1 LYS A HD2 18 ATOM 11050 H HD3 . LYS A 1 1 ? 0.494 2.093 -5.383 1.00 0.00 ? 1 LYS A HD3 18 ATOM 11051 H HE2 . LYS A 1 1 ? -1.395 1.752 -3.987 1.00 0.00 ? 1 LYS A HE2 18 ATOM 11052 H HE3 . LYS A 1 1 ? -0.841 0.157 -4.495 1.00 0.00 ? 1 LYS A HE3 18 ATOM 11053 H HZ1 . LYS A 1 1 ? -1.419 0.392 -2.082 1.00 0.00 ? 1 LYS A HZ1 18 ATOM 11054 H HZ2 . LYS A 1 1 ? -0.056 1.380 -1.914 1.00 0.00 ? 1 LYS A HZ2 18 ATOM 11055 H HZ3 . LYS A 1 1 ? 0.121 -0.232 -2.394 1.00 0.00 ? 1 LYS A HZ3 18 ATOM 11056 N N . PRO A 1 2 ? 4.334 -1.526 -6.771 1.00 0.00 ? 2 PRO A N 18 ATOM 11057 C CA . PRO A 1 2 ? 5.799 -1.504 -6.808 1.00 0.00 ? 2 PRO A CA 18 ATOM 11058 C C . PRO A 1 2 ? 6.374 -0.220 -6.218 1.00 0.00 ? 2 PRO A C 18 ATOM 11059 O O . PRO A 1 2 ? 5.651 0.580 -5.625 1.00 0.00 ? 2 PRO A O 18 ATOM 11060 C CB . PRO A 1 2 ? 6.119 -1.596 -8.302 1.00 0.00 ? 2 PRO A CB 18 ATOM 11061 C CG . PRO A 1 2 ? 4.914 -1.042 -8.981 1.00 0.00 ? 2 PRO A CG 18 ATOM 11062 C CD . PRO A 1 2 ? 3.742 -1.413 -8.115 1.00 0.00 ? 2 PRO A CD 18 ATOM 11063 H HA . PRO A 1 2 ? 6.222 -2.355 -6.294 1.00 0.00 ? 2 PRO A HA 18 ATOM 11064 H HB2 . PRO A 1 2 ? 7.001 -1.011 -8.521 1.00 0.00 ? 2 PRO A HB2 18 ATOM 11065 H HB3 . PRO A 1 2 ? 6.287 -2.627 -8.575 1.00 0.00 ? 2 PRO A HB3 18 ATOM 11066 H HG2 . PRO A 1 2 ? 4.997 0.031 -9.060 1.00 0.00 ? 2 PRO A HG2 18 ATOM 11067 H HG3 . PRO A 1 2 ? 4.810 -1.484 -9.961 1.00 0.00 ? 2 PRO A HG3 18 ATOM 11068 H HD2 . PRO A 1 2 ? 2.992 -0.637 -8.142 1.00 0.00 ? 2 PRO A HD2 18 ATOM 11069 H HD3 . PRO A 1 2 ? 3.323 -2.357 -8.431 1.00 0.00 ? 2 PRO A HD3 18 ATOM 11070 N N . ALA A 1 3 ? 7.679 -0.030 -6.386 1.00 0.00 ? 3 ALA A N 18 ATOM 11071 C CA . ALA A 1 3 ? 8.350 1.158 -5.873 1.00 0.00 ? 3 ALA A CA 18 ATOM 11072 C C . ALA A 1 3 ? 8.339 2.283 -6.903 1.00 0.00 ? 3 ALA A C 18 ATOM 11073 O O . ALA A 1 3 ? 9.039 3.284 -6.750 1.00 0.00 ? 3 ALA A O 18 ATOM 11074 C CB . ALA A 1 3 ? 9.778 0.824 -5.468 1.00 0.00 ? 3 ALA A CB 18 ATOM 11075 H H . ALA A 1 3 ? 8.202 -0.703 -6.868 1.00 0.00 ? 3 ALA A H 18 ATOM 11076 H HA . ALA A 1 3 ? 7.819 1.487 -4.991 1.00 0.00 ? 3 ALA A HA 18 ATOM 11077 H HB1 . ALA A 1 3 ? 9.782 -0.085 -4.885 1.00 0.00 ? 3 ALA A HB1 18 ATOM 11078 H HB2 . ALA A 1 3 ? 10.380 0.688 -6.353 1.00 0.00 ? 3 ALA A HB2 18 ATOM 11079 H HB3 . ALA A 1 3 ? 10.182 1.633 -4.878 1.00 0.00 ? 3 ALA A HB3 18 ATOM 11080 N N . TRP A 1 4 ? 7.543 2.111 -7.952 1.00 0.00 ? 4 TRP A N 18 ATOM 11081 C CA . TRP A 1 4 ? 7.443 3.112 -9.008 1.00 0.00 ? 4 TRP A CA 18 ATOM 11082 C C . TRP A 1 4 ? 6.186 3.958 -8.838 1.00 0.00 ? 4 TRP A C 18 ATOM 11083 O O . TRP A 1 4 ? 6.213 5.174 -9.035 1.00 0.00 ? 4 TRP A O 18 ATOM 11084 C CB . TRP A 1 4 ? 7.436 2.436 -10.380 1.00 0.00 ? 4 TRP A CB 18 ATOM 11085 C CG . TRP A 1 4 ? 8.088 1.087 -10.381 1.00 0.00 ? 4 TRP A CG 18 ATOM 11086 C CD1 . TRP A 1 4 ? 9.288 0.756 -9.818 1.00 0.00 ? 4 TRP A CD1 18 ATOM 11087 C CD2 . TRP A 1 4 ? 7.578 -0.111 -10.976 1.00 0.00 ? 4 TRP A CD2 18 ATOM 11088 N NE1 . TRP A 1 4 ? 9.554 -0.576 -10.027 1.00 0.00 ? 4 TRP A NE1 18 ATOM 11089 C CE2 . TRP A 1 4 ? 8.520 -1.130 -10.734 1.00 0.00 ? 4 TRP A CE2 18 ATOM 11090 C CE3 . TRP A 1 4 ? 6.416 -0.423 -11.687 1.00 0.00 ? 4 TRP A CE3 18 ATOM 11091 C CZ2 . TRP A 1 4 ? 8.334 -2.436 -11.179 1.00 0.00 ? 4 TRP A CZ2 18 ATOM 11092 C CZ3 . TRP A 1 4 ? 6.233 -1.720 -12.129 1.00 0.00 ? 4 TRP A CZ3 18 ATOM 11093 C CH2 . TRP A 1 4 ? 7.188 -2.713 -11.873 1.00 0.00 ? 4 TRP A CH2 18 ATOM 11094 H H . TRP A 1 4 ? 7.009 1.291 -8.018 1.00 0.00 ? 4 TRP A H 18 ATOM 11095 H HA . TRP A 1 4 ? 8.308 3.754 -8.937 1.00 0.00 ? 4 TRP A HA 18 ATOM 11096 H HB2 . TRP A 1 4 ? 6.415 2.313 -10.709 1.00 0.00 ? 4 TRP A HB2 18 ATOM 11097 H HB3 . TRP A 1 4 ? 7.963 3.063 -11.084 1.00 0.00 ? 4 TRP A HB3 18 ATOM 11098 H HD1 . TRP A 1 4 ? 9.924 1.451 -9.291 1.00 0.00 ? 4 TRP A HD1 18 ATOM 11099 H HE1 . TRP A 1 4 ? 10.353 -1.051 -9.718 1.00 0.00 ? 4 TRP A HE1 18 ATOM 11100 H HE3 . TRP A 1 4 ? 5.669 0.329 -11.894 1.00 0.00 ? 4 TRP A HE3 18 ATOM 11101 H HZ2 . TRP A 1 4 ? 9.060 -3.213 -10.990 1.00 0.00 ? 4 TRP A HZ2 18 ATOM 11102 H HZ3 . TRP A 1 4 ? 5.342 -1.979 -12.681 1.00 0.00 ? 4 TRP A HZ3 18 ATOM 11103 H HH2 . TRP A 1 4 ? 7.004 -3.712 -12.238 1.00 0.00 ? 4 TRP A HH2 18 ATOM 11104 N N . CYS A 1 5 ? 5.086 3.310 -8.471 1.00 0.00 ? 5 CYS A N 18 ATOM 11105 C CA . CYS A 1 5 ? 3.818 4.003 -8.274 1.00 0.00 ? 5 CYS A CA 18 ATOM 11106 C C . CYS A 1 5 ? 3.692 4.510 -6.840 1.00 0.00 ? 5 CYS A C 18 ATOM 11107 O O . CYS A 1 5 ? 4.660 4.496 -6.079 1.00 0.00 ? 5 CYS A O 18 ATOM 11108 C CB . CYS A 1 5 ? 2.649 3.074 -8.603 1.00 0.00 ? 5 CYS A CB 18 ATOM 11109 S SG . CYS A 1 5 ? 2.867 2.118 -10.139 1.00 0.00 ? 5 CYS A SG 18 ATOM 11110 H H . CYS A 1 5 ? 5.127 2.340 -8.328 1.00 0.00 ? 5 CYS A H 18 ATOM 11111 H HA . CYS A 1 5 ? 3.795 4.848 -8.945 1.00 0.00 ? 5 CYS A HA 18 ATOM 11112 H HB2 . CYS A 1 5 ? 2.520 2.369 -7.794 1.00 0.00 ? 5 CYS A HB2 18 ATOM 11113 H HB3 . CYS A 1 5 ? 1.749 3.662 -8.707 1.00 0.00 ? 5 CYS A HB3 18 ATOM 11114 N N . TRP A 1 6 ? 2.494 4.955 -6.480 1.00 0.00 ? 6 TRP A N 18 ATOM 11115 C CA . TRP A 1 6 ? 2.241 5.465 -5.137 1.00 0.00 ? 6 TRP A CA 18 ATOM 11116 C C . TRP A 1 6 ? 0.817 5.148 -4.693 1.00 0.00 ? 6 TRP A C 18 ATOM 11117 O O . TRP A 1 6 ? 0.592 4.707 -3.566 1.00 0.00 ? 6 TRP A O 18 ATOM 11118 C CB . TRP A 1 6 ? 2.478 6.976 -5.091 1.00 0.00 ? 6 TRP A CB 18 ATOM 11119 C CG . TRP A 1 6 ? 3.195 7.427 -3.854 1.00 0.00 ? 6 TRP A CG 18 ATOM 11120 C CD1 . TRP A 1 6 ? 4.504 7.806 -3.758 1.00 0.00 ? 6 TRP A CD1 18 ATOM 11121 C CD2 . TRP A 1 6 ? 2.644 7.544 -2.538 1.00 0.00 ? 6 TRP A CD2 18 ATOM 11122 N NE1 . TRP A 1 6 ? 4.799 8.151 -2.462 1.00 0.00 ? 6 TRP A NE1 18 ATOM 11123 C CE2 . TRP A 1 6 ? 3.675 8.000 -1.694 1.00 0.00 ? 6 TRP A CE2 18 ATOM 11124 C CE3 . TRP A 1 6 ? 1.379 7.309 -1.991 1.00 0.00 ? 6 TRP A CE3 18 ATOM 11125 C CZ2 . TRP A 1 6 ? 3.478 8.224 -0.334 1.00 0.00 ? 6 TRP A CZ2 18 ATOM 11126 C CZ3 . TRP A 1 6 ? 1.186 7.532 -0.641 1.00 0.00 ? 6 TRP A CZ3 18 ATOM 11127 C CH2 . TRP A 1 6 ? 2.230 7.987 0.175 1.00 0.00 ? 6 TRP A CH2 18 ATOM 11128 H H . TRP A 1 6 ? 1.762 4.940 -7.131 1.00 0.00 ? 6 TRP A H 18 ATOM 11129 H HA . TRP A 1 6 ? 2.932 4.981 -4.463 1.00 0.00 ? 6 TRP A HA 18 ATOM 11130 H HB2 . TRP A 1 6 ? 3.070 7.267 -5.945 1.00 0.00 ? 6 TRP A HB2 18 ATOM 11131 H HB3 . TRP A 1 6 ? 1.525 7.483 -5.128 1.00 0.00 ? 6 TRP A HB3 18 ATOM 11132 H HD1 . TRP A 1 6 ? 5.194 7.824 -4.588 1.00 0.00 ? 6 TRP A HD1 18 ATOM 11133 H HE1 . TRP A 1 6 ? 5.673 8.458 -2.140 1.00 0.00 ? 6 TRP A HE1 18 ATOM 11134 H HE3 . TRP A 1 6 ? 0.562 6.959 -2.604 1.00 0.00 ? 6 TRP A HE3 18 ATOM 11135 H HZ2 . TRP A 1 6 ? 4.273 8.575 0.308 1.00 0.00 ? 6 TRP A HZ2 18 ATOM 11136 H HZ3 . TRP A 1 6 ? 0.215 7.356 -0.201 1.00 0.00 ? 6 TRP A HZ3 18 ATOM 11137 H HH2 . TRP A 1 6 ? 2.034 8.147 1.224 1.00 0.00 ? 6 TRP A HH2 18 ATOM 11138 N N . TYR A 1 7 ? -0.140 5.374 -5.586 1.00 0.00 ? 7 TYR A N 18 ATOM 11139 C CA . TYR A 1 7 ? -1.543 5.113 -5.285 1.00 0.00 ? 7 TYR A CA 18 ATOM 11140 C C . TYR A 1 7 ? -2.428 5.448 -6.481 1.00 0.00 ? 7 TYR A C 18 ATOM 11141 O O . TYR A 1 7 ? -1.941 5.639 -7.596 1.00 0.00 ? 7 TYR A O 18 ATOM 11142 C CB . TYR A 1 7 ? -1.984 5.926 -4.067 1.00 0.00 ? 7 TYR A CB 18 ATOM 11143 C CG . TYR A 1 7 ? -2.813 5.136 -3.079 1.00 0.00 ? 7 TYR A CG 18 ATOM 11144 C CD1 . TYR A 1 7 ? -2.297 4.007 -2.455 1.00 0.00 ? 7 TYR A CD1 18 ATOM 11145 C CD2 . TYR A 1 7 ? -4.112 5.520 -2.769 1.00 0.00 ? 7 TYR A CD2 18 ATOM 11146 C CE1 . TYR A 1 7 ? -3.051 3.282 -1.553 1.00 0.00 ? 7 TYR A CE1 18 ATOM 11147 C CE2 . TYR A 1 7 ? -4.873 4.801 -1.867 1.00 0.00 ? 7 TYR A CE2 18 ATOM 11148 C CZ . TYR A 1 7 ? -4.338 3.683 -1.263 1.00 0.00 ? 7 TYR A CZ 18 ATOM 11149 O OH . TYR A 1 7 ? -5.092 2.964 -0.363 1.00 0.00 ? 7 TYR A OH 18 ATOM 11150 H H . TYR A 1 7 ? 0.101 5.725 -6.468 1.00 0.00 ? 7 TYR A H 18 ATOM 11151 H HA . TYR A 1 7 ? -1.644 4.062 -5.059 1.00 0.00 ? 7 TYR A HA 18 ATOM 11152 H HB2 . TYR A 1 7 ? -1.110 6.289 -3.549 1.00 0.00 ? 7 TYR A HB2 18 ATOM 11153 H HB3 . TYR A 1 7 ? -2.575 6.767 -4.398 1.00 0.00 ? 7 TYR A HB3 18 ATOM 11154 H HD1 . TYR A 1 7 ? -1.288 3.696 -2.685 1.00 0.00 ? 7 TYR A HD1 18 ATOM 11155 H HD2 . TYR A 1 7 ? -4.528 6.396 -3.245 1.00 0.00 ? 7 TYR A HD2 18 ATOM 11156 H HE1 . TYR A 1 7 ? -2.633 2.406 -1.079 1.00 0.00 ? 7 TYR A HE1 18 ATOM 11157 H HE2 . TYR A 1 7 ? -5.881 5.115 -1.639 1.00 0.00 ? 7 TYR A HE2 18 ATOM 11158 H HH . TYR A 1 7 ? -4.713 3.052 0.514 1.00 0.00 ? 7 TYR A HH 18 ATOM 11159 N N . THR A 1 8 ? -3.734 5.518 -6.242 1.00 0.00 ? 8 THR A N 18 ATOM 11160 C CA . THR A 1 8 ? -4.689 5.829 -7.298 1.00 0.00 ? 8 THR A CA 18 ATOM 11161 C C . THR A 1 8 ? -5.072 7.305 -7.276 1.00 0.00 ? 8 THR A C 18 ATOM 11162 O O . THR A 1 8 ? -6.152 7.683 -7.730 1.00 0.00 ? 8 THR A O 18 ATOM 11163 C CB . THR A 1 8 ? -5.966 4.978 -7.169 1.00 0.00 ? 8 THR A CB 18 ATOM 11164 O OG1 . THR A 1 8 ? -5.628 3.643 -6.775 1.00 0.00 ? 8 THR A OG1 18 ATOM 11165 C CG2 . THR A 1 8 ? -6.731 4.946 -8.484 1.00 0.00 ? 8 THR A CG2 18 ATOM 11166 H H . THR A 1 8 ? -4.062 5.356 -5.333 1.00 0.00 ? 8 THR A H 18 ATOM 11167 H HA . THR A 1 8 ? -4.224 5.601 -8.246 1.00 0.00 ? 8 THR A HA 18 ATOM 11168 H HB . THR A 1 8 ? -6.600 5.418 -6.412 1.00 0.00 ? 8 THR A HB 18 ATOM 11169 H HG1 . THR A 1 8 ? -6.300 3.304 -6.180 1.00 0.00 ? 8 THR A HG1 18 ATOM 11170 H HG21 . THR A 1 8 ? -6.121 5.374 -9.264 1.00 0.00 ? 8 THR A HG21 18 ATOM 11171 H HG22 . THR A 1 8 ? -7.642 5.517 -8.385 1.00 0.00 ? 8 THR A HG22 18 ATOM 11172 H HG23 . THR A 1 8 ? -6.972 3.924 -8.735 1.00 0.00 ? 8 THR A HG23 18 ATOM 11173 N N . LEU A 1 9 ? -4.180 8.134 -6.746 1.00 0.00 ? 9 LEU A N 18 ATOM 11174 C CA . LEU A 1 9 ? -4.424 9.570 -6.666 1.00 0.00 ? 9 LEU A CA 18 ATOM 11175 C C . LEU A 1 9 ? -4.604 10.170 -8.057 1.00 0.00 ? 9 LEU A C 18 ATOM 11176 O O . LEU A 1 9 ? -5.294 11.175 -8.225 1.00 0.00 ? 9 LEU A O 18 ATOM 11177 C CB . LEU A 1 9 ? -3.268 10.265 -5.944 1.00 0.00 ? 9 LEU A CB 18 ATOM 11178 C CG . LEU A 1 9 ? -3.448 10.481 -4.441 1.00 0.00 ? 9 LEU A CG 18 ATOM 11179 C CD1 . LEU A 1 9 ? -3.304 9.166 -3.691 1.00 0.00 ? 9 LEU A CD1 18 ATOM 11180 C CD2 . LEU A 1 9 ? -2.446 11.504 -3.926 1.00 0.00 ? 9 LEU A CD2 18 ATOM 11181 H H . LEU A 1 9 ? -3.337 7.774 -6.400 1.00 0.00 ? 9 LEU A H 18 ATOM 11182 H HA . LEU A 1 9 ? -5.332 9.721 -6.102 1.00 0.00 ? 9 LEU A HA 18 ATOM 11183 H HB2 . LEU A 1 9 ? -2.381 9.666 -6.088 1.00 0.00 ? 9 LEU A HB2 18 ATOM 11184 H HB3 . LEU A 1 9 ? -3.125 11.232 -6.404 1.00 0.00 ? 9 LEU A HB3 18 ATOM 11185 H HG . LEU A 1 9 ? -4.443 10.863 -4.256 1.00 0.00 ? 9 LEU A HG 18 ATOM 11186 H HD11 . LEU A 1 9 ? -2.256 8.948 -3.547 1.00 0.00 ? 9 LEU A HD11 18 ATOM 11187 H HD12 . LEU A 1 9 ? -3.762 8.373 -4.264 1.00 0.00 ? 9 LEU A HD12 18 ATOM 11188 H HD13 . LEU A 1 9 ? -3.792 9.245 -2.731 1.00 0.00 ? 9 LEU A HD13 18 ATOM 11189 H HD21 . LEU A 1 9 ? -2.630 11.693 -2.879 1.00 0.00 ? 9 LEU A HD21 18 ATOM 11190 H HD22 . LEU A 1 9 ? -2.553 12.424 -4.482 1.00 0.00 ? 9 LEU A HD22 18 ATOM 11191 H HD23 . LEU A 1 9 ? -1.444 11.122 -4.053 1.00 0.00 ? 9 LEU A HD23 18 ATOM 11192 N N . ALA A 1 10 ? -3.980 9.546 -9.050 1.00 0.00 ? 10 ALA A N 18 ATOM 11193 C CA . ALA A 1 10 ? -4.075 10.016 -10.427 1.00 0.00 ? 10 ALA A CA 18 ATOM 11194 C C . ALA A 1 10 ? -3.429 11.388 -10.584 1.00 0.00 ? 10 ALA A C 18 ATOM 11195 O O . ALA A 1 10 ? -4.099 12.366 -10.916 1.00 0.00 ? 10 ALA A O 18 ATOM 11196 C CB . ALA A 1 10 ? -5.529 10.061 -10.870 1.00 0.00 ? 10 ALA A CB 18 ATOM 11197 H H . ALA A 1 10 ? -3.444 8.750 -8.853 1.00 0.00 ? 10 ALA A H 18 ATOM 11198 H HA . ALA A 1 10 ? -3.553 9.310 -11.057 1.00 0.00 ? 10 ALA A HA 18 ATOM 11199 H HB1 . ALA A 1 10 ? -5.584 9.904 -11.938 1.00 0.00 ? 10 ALA A HB1 18 ATOM 11200 H HB2 . ALA A 1 10 ? -6.084 9.286 -10.363 1.00 0.00 ? 10 ALA A HB2 18 ATOM 11201 H HB3 . ALA A 1 10 ? -5.950 11.025 -10.626 1.00 0.00 ? 10 ALA A HB3 18 ATOM 11202 N N . MET A 1 11 ? -2.123 11.454 -10.343 1.00 0.00 ? 11 MET A N 18 ATOM 11203 C CA . MET A 1 11 ? -1.388 12.708 -10.459 1.00 0.00 ? 11 MET A CA 18 ATOM 11204 C C . MET A 1 11 ? -1.301 13.155 -11.915 1.00 0.00 ? 11 MET A C 18 ATOM 11205 O O . MET A 1 11 ? -1.983 14.094 -12.328 1.00 0.00 ? 11 MET A O 18 ATOM 11206 C CB . MET A 1 11 ? 0.019 12.555 -9.876 1.00 0.00 ? 11 MET A CB 18 ATOM 11207 C CG . MET A 1 11 ? 0.031 12.301 -8.377 1.00 0.00 ? 11 MET A CG 18 ATOM 11208 S SD . MET A 1 11 ? 1.584 11.584 -7.807 1.00 0.00 ? 11 MET A SD 18 ATOM 11209 C CE . MET A 1 11 ? 1.458 9.927 -8.475 1.00 0.00 ? 11 MET A CE 18 ATOM 11210 H H . MET A 1 11 ? -1.643 10.641 -10.082 1.00 0.00 ? 11 MET A H 18 ATOM 11211 H HA . MET A 1 11 ? -1.921 13.458 -9.895 1.00 0.00 ? 11 MET A HA 18 ATOM 11212 H HB2 . MET A 1 11 ? 0.509 11.725 -10.364 1.00 0.00 ? 11 MET A HB2 18 ATOM 11213 H HB3 . MET A 1 11 ? 0.577 13.458 -10.071 1.00 0.00 ? 11 MET A HB3 18 ATOM 11214 H HG2 . MET A 1 11 ? -0.125 13.239 -7.865 1.00 0.00 ? 11 MET A HG2 18 ATOM 11215 H HG3 . MET A 1 11 ? -0.774 11.623 -8.135 1.00 0.00 ? 11 MET A HG3 18 ATOM 11216 H HE1 . MET A 1 11 ? 0.879 9.950 -9.387 1.00 0.00 ? 11 MET A HE1 18 ATOM 11217 H HE2 . MET A 1 11 ? 2.447 9.548 -8.686 1.00 0.00 ? 11 MET A HE2 18 ATOM 11218 H HE3 . MET A 1 11 ? 0.972 9.286 -7.755 1.00 0.00 ? 11 MET A HE3 18 ATOM 11219 N N . CYS A 1 12 ? -0.459 12.478 -12.688 1.00 0.00 ? 12 CYS A N 18 ATOM 11220 C CA . CYS A 1 12 ? -0.283 12.805 -14.098 1.00 0.00 ? 12 CYS A CA 18 ATOM 11221 C C . CYS A 1 12 ? -1.629 12.869 -14.814 1.00 0.00 ? 12 CYS A C 18 ATOM 11222 O O . CYS A 1 12 ? -2.600 12.244 -14.390 1.00 0.00 ? 12 CYS A O 18 ATOM 11223 C CB . CYS A 1 12 ? 0.619 11.771 -14.774 1.00 0.00 ? 12 CYS A CB 18 ATOM 11224 S SG . CYS A 1 12 ? -0.186 10.165 -15.073 1.00 0.00 ? 12 CYS A SG 18 ATOM 11225 H H . CYS A 1 12 ? 0.057 11.739 -12.301 1.00 0.00 ? 12 CYS A H 18 ATOM 11226 H HA . CYS A 1 12 ? 0.188 13.775 -14.157 1.00 0.00 ? 12 CYS A HA 18 ATOM 11227 H HB2 . CYS A 1 12 ? 0.944 12.158 -15.729 1.00 0.00 ? 12 CYS A HB2 18 ATOM 11228 H HB3 . CYS A 1 12 ? 1.483 11.596 -14.151 1.00 0.00 ? 12 CYS A HB3 18 ATOM 11229 N N . GLY A 1 13 ? -1.678 13.629 -15.904 1.00 0.00 ? 13 GLY A N 18 ATOM 11230 C CA . GLY A 1 13 ? -2.909 13.760 -16.662 1.00 0.00 ? 13 GLY A CA 18 ATOM 11231 C C . GLY A 1 13 ? -3.727 14.963 -16.235 1.00 0.00 ? 13 GLY A C 18 ATOM 11232 O O . GLY A 1 13 ? -4.556 15.459 -16.997 1.00 0.00 ? 13 GLY A O 18 ATOM 11233 H H . GLY A 1 13 ? -0.872 14.105 -16.195 1.00 0.00 ? 13 GLY A H 18 ATOM 11234 H HA2 . GLY A 1 13 ? -2.665 13.857 -17.709 1.00 0.00 ? 13 GLY A HA2 18 ATOM 11235 H HA3 . GLY A 1 13 ? -3.501 12.868 -16.522 1.00 0.00 ? 13 GLY A HA3 18 ATOM 11236 N N . ALA A 1 14 ? -3.495 15.431 -15.013 1.00 0.00 ? 14 ALA A N 18 ATOM 11237 C CA . ALA A 1 14 ? -4.217 16.582 -14.486 1.00 0.00 ? 14 ALA A CA 18 ATOM 11238 C C . ALA A 1 14 ? -3.297 17.790 -14.347 1.00 0.00 ? 14 ALA A C 18 ATOM 11239 O O . ALA A 1 14 ? -3.504 18.645 -13.487 1.00 0.00 ? 14 ALA A O 18 ATOM 11240 C CB . ALA A 1 14 ? -4.849 16.241 -13.145 1.00 0.00 ? 14 ALA A CB 18 ATOM 11241 H H . ALA A 1 14 ? -2.821 14.992 -14.453 1.00 0.00 ? 14 ALA A H 18 ATOM 11242 H HA . ALA A 1 14 ? -5.010 16.824 -15.179 1.00 0.00 ? 14 ALA A HA 18 ATOM 11243 H HB1 . ALA A 1 14 ? -4.076 15.960 -12.445 1.00 0.00 ? 14 ALA A HB1 18 ATOM 11244 H HB2 . ALA A 1 14 ? -5.381 17.101 -12.769 1.00 0.00 ? 14 ALA A HB2 18 ATOM 11245 H HB3 . ALA A 1 14 ? -5.537 15.418 -13.271 1.00 0.00 ? 14 ALA A HB3 18 ATOM 11246 N N . GLY A 1 15 ? -2.278 17.854 -15.199 1.00 0.00 ? 15 GLY A N 18 ATOM 11247 C CA . GLY A 1 15 ? -1.341 18.962 -15.154 1.00 0.00 ? 15 GLY A CA 18 ATOM 11248 C C . GLY A 1 15 ? -0.033 18.586 -14.487 1.00 0.00 ? 15 GLY A C 18 ATOM 11249 O O . GLY A 1 15 ? 0.977 19.270 -14.657 1.00 0.00 ? 15 GLY A O 18 ATOM 11250 H H . GLY A 1 15 ? -2.162 17.144 -15.865 1.00 0.00 ? 15 GLY A H 18 ATOM 11251 H HA2 . GLY A 1 15 ? -1.138 19.289 -16.162 1.00 0.00 ? 15 GLY A HA2 18 ATOM 11252 H HA3 . GLY A 1 15 ? -1.791 19.776 -14.605 1.00 0.00 ? 15 GLY A HA3 18 ATOM 11253 N N . TYR A 1 16 ? -0.050 17.499 -13.724 1.00 0.00 ? 16 TYR A N 18 ATOM 11254 C CA . TYR A 1 16 ? 1.143 17.036 -13.026 1.00 0.00 ? 16 TYR A CA 18 ATOM 11255 C C . TYR A 1 16 ? 2.256 16.697 -14.013 1.00 0.00 ? 16 TYR A C 18 ATOM 11256 O O . TYR A 1 16 ? 3.439 16.774 -13.683 1.00 0.00 ? 16 TYR A O 18 ATOM 11257 C CB . TYR A 1 16 ? 0.816 15.812 -12.169 1.00 0.00 ? 16 TYR A CB 18 ATOM 11258 C CG . TYR A 1 16 ? 0.530 16.145 -10.722 1.00 0.00 ? 16 TYR A CG 18 ATOM 11259 C CD1 . TYR A 1 16 ? -0.741 16.531 -10.316 1.00 0.00 ? 16 TYR A CD1 18 ATOM 11260 C CD2 . TYR A 1 16 ? 1.530 16.071 -9.761 1.00 0.00 ? 16 TYR A CD2 18 ATOM 11261 C CE1 . TYR A 1 16 ? -1.007 16.837 -8.995 1.00 0.00 ? 16 TYR A CE1 18 ATOM 11262 C CE2 . TYR A 1 16 ? 1.274 16.373 -8.438 1.00 0.00 ? 16 TYR A CE2 18 ATOM 11263 C CZ . TYR A 1 16 ? 0.003 16.756 -8.060 1.00 0.00 ? 16 TYR A CZ 18 ATOM 11264 O OH . TYR A 1 16 ? -0.258 17.058 -6.743 1.00 0.00 ? 16 TYR A OH 18 ATOM 11265 H H . TYR A 1 16 ? -0.885 16.996 -13.627 1.00 0.00 ? 16 TYR A H 18 ATOM 11266 H HA . TYR A 1 16 ? 1.481 17.835 -12.381 1.00 0.00 ? 16 TYR A HA 18 ATOM 11267 H HB2 . TYR A 1 16 ? -0.055 15.320 -12.574 1.00 0.00 ? 16 TYR A HB2 18 ATOM 11268 H HB3 . TYR A 1 16 ? 1.653 15.130 -12.194 1.00 0.00 ? 16 TYR A HB3 18 ATOM 11269 H HD1 . TYR A 1 16 ? -1.531 16.593 -11.051 1.00 0.00 ? 16 TYR A HD1 18 ATOM 11270 H HD2 . TYR A 1 16 ? 2.524 15.771 -10.060 1.00 0.00 ? 16 TYR A HD2 18 ATOM 11271 H HE1 . TYR A 1 16 ? -2.002 17.136 -8.699 1.00 0.00 ? 16 TYR A HE1 18 ATOM 11272 H HE2 . TYR A 1 16 ? 2.064 16.310 -7.705 1.00 0.00 ? 16 TYR A HE2 18 ATOM 11273 H HH . TYR A 1 16 ? -0.093 17.991 -6.590 1.00 0.00 ? 16 TYR A HH 18 ATOM 11274 N N . ASP A 1 17 ? 1.866 16.322 -15.227 1.00 0.00 ? 17 ASP A N 18 ATOM 11275 C CA . ASP A 1 17 ? 2.829 15.972 -16.265 1.00 0.00 ? 17 ASP A CA 18 ATOM 11276 C C . ASP A 1 17 ? 2.530 16.723 -17.559 1.00 0.00 ? 17 ASP A C 18 ATOM 11277 O O . ASP A 1 17 ? 1.613 17.542 -17.615 1.00 0.00 ? 17 ASP A O 18 ATOM 11278 C CB . ASP A 1 17 ? 2.811 14.464 -16.520 1.00 0.00 ? 17 ASP A CB 18 ATOM 11279 C CG . ASP A 1 17 ? 3.706 13.704 -15.561 1.00 0.00 ? 17 ASP A CG 18 ATOM 11280 O OD1 . ASP A 1 17 ? 4.739 14.266 -15.143 1.00 0.00 ? 17 ASP A OD1 18 ATOM 11281 O OD2 . ASP A 1 17 ? 3.372 12.547 -15.228 1.00 0.00 ? 17 ASP A OD2 18 ATOM 11282 H H . ASP A 1 17 ? 0.908 16.280 -15.429 1.00 0.00 ? 17 ASP A H 18 ATOM 11283 H HA . ASP A 1 17 ? 3.810 16.258 -15.917 1.00 0.00 ? 17 ASP A HA 18 ATOM 11284 H HB2 . ASP A 1 17 ? 1.801 14.099 -16.407 1.00 0.00 ? 17 ASP A HB2 18 ATOM 11285 H HB3 . ASP A 1 17 ? 3.148 14.272 -17.528 1.00 0.00 ? 17 ASP A HB3 18 ATOM 11286 N N . SER A 1 18 ? 3.310 16.439 -18.596 1.00 0.00 ? 18 SER A N 18 ATOM 11287 C CA . SER A 1 18 ? 3.132 17.091 -19.888 1.00 0.00 ? 18 SER A CA 18 ATOM 11288 C C . SER A 1 18 ? 2.040 16.400 -20.699 1.00 0.00 ? 18 SER A C 18 ATOM 11289 O O . SER A 1 18 ? 2.416 15.433 -21.360 1.00 0.00 ? 18 SER A O 18 ATOM 11290 C CB . SER A 1 18 ? 4.446 17.084 -20.672 1.00 0.00 ? 18 SER A CB 18 ATOM 11291 O OG . SER A 1 18 ? 5.350 18.048 -20.160 1.00 0.00 ? 18 SER A OG 18 ATOM 11292 H H . SER A 1 18 ? 4.025 15.776 -18.489 1.00 0.00 ? 18 SER A H 18 ATOM 11293 H HA . SER A 1 18 ? 2.837 18.113 -19.706 1.00 0.00 ? 18 SER A HA 18 ATOM 11294 H HB2 . SER A 1 18 ? 4.901 16.108 -20.599 1.00 0.00 ? 18 SER A HB2 18 ATOM 11295 H HB3 . SER A 1 18 ? 4.245 17.312 -21.709 1.00 0.00 ? 18 SER A HB3 18 ATOM 11296 N N . GLY A 1 19 ? 0.904 16.376 -19.987 1.00 0.00 ? 19 GLY A N 18 ATOM 11297 C CA . GLY A 1 19 ? 0.043 15.208 -19.990 1.00 0.00 ? 19 GLY A CA 18 ATOM 11298 C C . GLY A 1 19 ? 0.755 13.964 -20.483 1.00 0.00 ? 19 GLY A C 18 ATOM 11299 O O . GLY A 1 19 ? 0.562 13.538 -21.622 1.00 0.00 ? 19 GLY A O 18 ATOM 11300 H H . GLY A 1 19 ? 0.652 17.167 -19.465 1.00 0.00 ? 19 GLY A H 18 ATOM 11301 H HA2 . GLY A 1 19 ? -0.311 15.033 -18.985 1.00 0.00 ? 19 GLY A HA2 18 ATOM 11302 H HA3 . GLY A 1 19 ? -0.804 15.401 -20.631 1.00 0.00 ? 19 GLY A HA3 18 ATOM 11303 N N . THR A 1 20 ? 1.585 13.379 -19.624 1.00 0.00 ? 20 THR A N 18 ATOM 11304 C CA . THR A 1 20 ? 2.331 12.179 -19.979 1.00 0.00 ? 20 THR A CA 18 ATOM 11305 C C . THR A 1 20 ? 2.597 11.314 -18.753 1.00 0.00 ? 20 THR A C 18 ATOM 11306 O O . THR A 1 20 ? 2.940 11.822 -17.684 1.00 0.00 ? 20 THR A O 18 ATOM 11307 C CB . THR A 1 20 ? 3.674 12.529 -20.648 1.00 0.00 ? 20 THR A CB 18 ATOM 11308 O OG1 . THR A 1 20 ? 4.243 11.359 -21.246 1.00 0.00 ? 20 THR A OG1 18 ATOM 11309 C CG2 . THR A 1 20 ? 4.647 13.111 -19.634 1.00 0.00 ? 20 THR A CG2 18 ATOM 11310 H H . THR A 1 20 ? 1.697 13.766 -18.731 1.00 0.00 ? 20 THR A H 18 ATOM 11311 H HA . THR A 1 20 ? 1.738 11.614 -20.684 1.00 0.00 ? 20 THR A HA 18 ATOM 11312 H HB . THR A 1 20 ? 3.494 13.266 -21.417 1.00 0.00 ? 20 THR A HB 18 ATOM 11313 H HG1 . THR A 1 20 ? 5.021 11.605 -21.752 1.00 0.00 ? 20 THR A HG1 18 ATOM 11314 H HG21 . THR A 1 20 ? 5.568 13.378 -20.132 1.00 0.00 ? 20 THR A HG21 18 ATOM 11315 H HG22 . THR A 1 20 ? 4.852 12.378 -18.869 1.00 0.00 ? 20 THR A HG22 18 ATOM 11316 H HG23 . THR A 1 20 ? 4.214 13.992 -19.183 1.00 0.00 ? 20 THR A HG23 18 ATOM 11317 N N . CYS A 1 21 ? 2.439 10.004 -18.912 1.00 0.00 ? 21 CYS A N 18 ATOM 11318 C CA . CYS A 1 21 ? 2.663 9.068 -17.817 1.00 0.00 ? 21 CYS A CA 18 ATOM 11319 C C . CYS A 1 21 ? 3.535 7.900 -18.270 1.00 0.00 ? 21 CYS A C 18 ATOM 11320 O O . CYS A 1 21 ? 4.044 7.890 -19.391 1.00 0.00 ? 21 CYS A O 18 ATOM 11321 C CB . CYS A 1 21 ? 1.327 8.544 -17.285 1.00 0.00 ? 21 CYS A CB 18 ATOM 11322 S SG . CYS A 1 21 ? 0.073 9.838 -17.021 1.00 0.00 ? 21 CYS A SG 18 ATOM 11323 H H . CYS A 1 21 ? 2.165 9.658 -19.788 1.00 0.00 ? 21 CYS A H 18 ATOM 11324 H HA . CYS A 1 21 ? 3.173 9.597 -17.027 1.00 0.00 ? 21 CYS A HA 18 ATOM 11325 H HB2 . CYS A 1 21 ? 0.921 7.834 -17.991 1.00 0.00 ? 21 CYS A HB2 18 ATOM 11326 H HB3 . CYS A 1 21 ? 1.494 8.049 -16.340 1.00 0.00 ? 21 CYS A HB3 18 ATOM 11327 N N . ASP A 1 22 ? 3.704 6.919 -17.390 1.00 0.00 ? 22 ASP A N 18 ATOM 11328 C CA . ASP A 1 22 ? 4.514 5.746 -17.699 1.00 0.00 ? 22 ASP A CA 18 ATOM 11329 C C . ASP A 1 22 ? 4.057 4.541 -16.883 1.00 0.00 ? 22 ASP A C 18 ATOM 11330 O O . ASP A 1 22 ? 3.386 3.647 -17.400 1.00 0.00 ? 22 ASP A O 18 ATOM 11331 C CB . ASP A 1 22 ? 5.991 6.033 -17.424 1.00 0.00 ? 22 ASP A CB 18 ATOM 11332 C CG . ASP A 1 22 ? 6.795 6.199 -18.699 1.00 0.00 ? 22 ASP A CG 18 ATOM 11333 O OD1 . ASP A 1 22 ? 6.674 7.262 -19.342 1.00 0.00 ? 22 ASP A OD1 18 ATOM 11334 O OD2 . ASP A 1 22 ? 7.545 5.265 -19.053 1.00 0.00 ? 22 ASP A OD2 18 ATOM 11335 H H . ASP A 1 22 ? 3.273 6.985 -16.512 1.00 0.00 ? 22 ASP A H 18 ATOM 11336 H HA . ASP A 1 22 ? 4.389 5.524 -18.748 1.00 0.00 ? 22 ASP A HA 18 ATOM 11337 H HB2 . ASP A 1 22 ? 6.073 6.944 -16.848 1.00 0.00 ? 22 ASP A HB2 18 ATOM 11338 H HB3 . ASP A 1 22 ? 6.411 5.215 -16.858 1.00 0.00 ? 22 ASP A HB3 18 ATOM 11339 N N . TYR A 1 23 ? 4.425 4.522 -15.607 1.00 0.00 ? 23 TYR A N 18 ATOM 11340 C CA . TYR A 1 23 ? 4.056 3.425 -14.721 1.00 0.00 ? 23 TYR A CA 18 ATOM 11341 C C . TYR A 1 23 ? 2.544 3.366 -14.528 1.00 0.00 ? 23 TYR A C 18 ATOM 11342 O O . TYR A 1 23 ? 1.987 2.311 -14.227 1.00 0.00 ? 23 TYR A O 18 ATOM 11343 C CB . TYR A 1 23 ? 4.749 3.581 -13.366 1.00 0.00 ? 23 TYR A CB 18 ATOM 11344 C CG . TYR A 1 23 ? 6.214 3.939 -13.473 1.00 0.00 ? 23 TYR A CG 18 ATOM 11345 C CD1 . TYR A 1 23 ? 7.050 3.273 -14.361 1.00 0.00 ? 23 TYR A CD1 18 ATOM 11346 C CD2 . TYR A 1 23 ? 6.763 4.944 -12.686 1.00 0.00 ? 23 TYR A CD2 18 ATOM 11347 C CE1 . TYR A 1 23 ? 8.389 3.596 -14.461 1.00 0.00 ? 23 TYR A CE1 18 ATOM 11348 C CE2 . TYR A 1 23 ? 8.100 5.276 -12.781 1.00 0.00 ? 23 TYR A CE2 18 ATOM 11349 C CZ . TYR A 1 23 ? 8.909 4.599 -13.670 1.00 0.00 ? 23 TYR A CZ 18 ATOM 11350 O OH . TYR A 1 23 ? 10.243 4.925 -13.767 1.00 0.00 ? 23 TYR A OH 18 ATOM 11351 H H . TYR A 1 23 ? 4.959 5.263 -15.253 1.00 0.00 ? 23 TYR A H 18 ATOM 11352 H HA . TYR A 1 23 ? 4.386 2.504 -15.179 1.00 0.00 ? 23 TYR A HA 18 ATOM 11353 H HB2 . TYR A 1 23 ? 4.257 4.360 -12.806 1.00 0.00 ? 23 TYR A HB2 18 ATOM 11354 H HB3 . TYR A 1 23 ? 4.674 2.650 -12.822 1.00 0.00 ? 23 TYR A HB3 18 ATOM 11355 H HD1 . TYR A 1 23 ? 6.639 2.488 -14.980 1.00 0.00 ? 23 TYR A HD1 18 ATOM 11356 H HD2 . TYR A 1 23 ? 6.126 5.472 -11.991 1.00 0.00 ? 23 TYR A HD2 18 ATOM 11357 H HE1 . TYR A 1 23 ? 9.023 3.067 -15.157 1.00 0.00 ? 23 TYR A HE1 18 ATOM 11358 H HE2 . TYR A 1 23 ? 8.508 6.060 -12.161 1.00 0.00 ? 23 TYR A HE2 18 ATOM 11359 H HH . TYR A 1 23 ? 10.527 4.843 -14.680 1.00 0.00 ? 23 TYR A HH 18 ATOM 11360 N N . MET A 1 24 ? 1.887 4.507 -14.703 1.00 0.00 ? 24 MET A N 18 ATOM 11361 C CA . MET A 1 24 ? 0.438 4.586 -14.550 1.00 0.00 ? 24 MET A CA 18 ATOM 11362 C C . MET A 1 24 ? -0.266 3.715 -15.586 1.00 0.00 ? 24 MET A C 18 ATOM 11363 O O . MET A 1 24 ? -1.216 3.000 -15.267 1.00 0.00 ? 24 MET A O 18 ATOM 11364 C CB . MET A 1 24 ? -0.032 6.036 -14.681 1.00 0.00 ? 24 MET A CB 18 ATOM 11365 C CG . MET A 1 24 ? 0.316 6.898 -13.479 1.00 0.00 ? 24 MET A CG 18 ATOM 11366 S SD . MET A 1 24 ? 1.944 7.661 -13.619 1.00 0.00 ? 24 MET A SD 18 ATOM 11367 C CE . MET A 1 24 ? 2.890 6.652 -12.481 1.00 0.00 ? 24 MET A CE 18 ATOM 11368 H H . MET A 1 24 ? 2.386 5.316 -14.942 1.00 0.00 ? 24 MET A H 18 ATOM 11369 H HA . MET A 1 24 ? 0.190 4.224 -13.564 1.00 0.00 ? 24 MET A HA 18 ATOM 11370 H HB2 . MET A 1 24 ? 0.427 6.473 -15.556 1.00 0.00 ? 24 MET A HB2 18 ATOM 11371 H HB3 . MET A 1 24 ? -1.105 6.045 -14.805 1.00 0.00 ? 24 MET A HB3 18 ATOM 11372 H HG2 . MET A 1 24 ? -0.424 7.679 -13.386 1.00 0.00 ? 24 MET A HG2 18 ATOM 11373 H HG3 . MET A 1 24 ? 0.298 6.281 -12.593 1.00 0.00 ? 24 MET A HG3 18 ATOM 11374 H HE1 . MET A 1 24 ? 2.606 5.616 -12.599 1.00 0.00 ? 24 MET A HE1 18 ATOM 11375 H HE2 . MET A 1 24 ? 3.943 6.763 -12.691 1.00 0.00 ? 24 MET A HE2 18 ATOM 11376 H HE3 . MET A 1 24 ? 2.689 6.967 -11.468 1.00 0.00 ? 24 MET A HE3 18 ATOM 11377 N N . TYR A 1 25 ? 0.205 3.781 -16.826 1.00 0.00 ? 25 TYR A N 18 ATOM 11378 C CA . TYR A 1 25 ? -0.381 3.000 -17.909 1.00 0.00 ? 25 TYR A CA 18 ATOM 11379 C C . TYR A 1 25 ? -0.141 1.508 -17.697 1.00 0.00 ? 25 TYR A C 18 ATOM 11380 O O . TYR A 1 25 ? -0.715 0.671 -18.394 1.00 0.00 ? 25 TYR A O 18 ATOM 11381 C CB . TYR A 1 25 ? 0.202 3.436 -19.254 1.00 0.00 ? 25 TYR A CB 18 ATOM 11382 C CG . TYR A 1 25 ? -0.415 4.704 -19.799 1.00 0.00 ? 25 TYR A CG 18 ATOM 11383 C CD1 . TYR A 1 25 ? -0.430 5.872 -19.046 1.00 0.00 ? 25 TYR A CD1 18 ATOM 11384 C CD2 . TYR A 1 25 ? -0.984 4.735 -21.066 1.00 0.00 ? 25 TYR A CD2 18 ATOM 11385 C CE1 . TYR A 1 25 ? -0.994 7.033 -19.539 1.00 0.00 ? 25 TYR A CE1 18 ATOM 11386 C CE2 . TYR A 1 25 ? -1.549 5.891 -21.568 1.00 0.00 ? 25 TYR A CE2 18 ATOM 11387 C CZ . TYR A 1 25 ? -1.551 7.038 -20.801 1.00 0.00 ? 25 TYR A CZ 18 ATOM 11388 O OH . TYR A 1 25 ? -2.113 8.192 -21.297 1.00 0.00 ? 25 TYR A OH 18 ATOM 11389 H H . TYR A 1 25 ? 0.965 4.369 -17.019 1.00 0.00 ? 25 TYR A H 18 ATOM 11390 H HA . TYR A 1 25 ? -1.446 3.185 -17.912 1.00 0.00 ? 25 TYR A HA 18 ATOM 11391 H HB2 . TYR A 1 25 ? 1.261 3.606 -19.141 1.00 0.00 ? 25 TYR A HB2 18 ATOM 11392 H HB3 . TYR A 1 25 ? 0.043 2.651 -19.979 1.00 0.00 ? 25 TYR A HB3 18 ATOM 11393 H HD1 . TYR A 1 25 ? 0.007 5.865 -18.058 1.00 0.00 ? 25 TYR A HD1 18 ATOM 11394 H HD2 . TYR A 1 25 ? -0.981 3.835 -21.664 1.00 0.00 ? 25 TYR A HD2 18 ATOM 11395 H HE1 . TYR A 1 25 ? -0.995 7.931 -18.939 1.00 0.00 ? 25 TYR A HE1 18 ATOM 11396 H HE2 . TYR A 1 25 ? -1.986 5.895 -22.556 1.00 0.00 ? 25 TYR A HE2 18 ATOM 11397 H HH . TYR A 1 25 ? -1.806 8.337 -22.195 1.00 0.00 ? 25 TYR A HH 18 ATOM 11398 N N . SER A 1 26 ? 0.710 1.184 -16.730 1.00 0.00 ? 26 SER A N 18 ATOM 11399 C CA . SER A 1 26 ? 1.030 -0.206 -16.427 1.00 0.00 ? 26 SER A CA 18 ATOM 11400 C C . SER A 1 26 ? 0.013 -0.798 -15.456 1.00 0.00 ? 26 SER A C 18 ATOM 11401 O O . SER A 1 26 ? 0.347 -1.650 -14.632 1.00 0.00 ? 26 SER A O 18 ATOM 11402 C CB . SER A 1 26 ? 2.437 -0.310 -15.836 1.00 0.00 ? 26 SER A CB 18 ATOM 11403 O OG . SER A 1 26 ? 2.884 -1.655 -15.816 1.00 0.00 ? 26 SER A OG 18 ATOM 11404 H H . SER A 1 26 ? 1.136 1.898 -16.209 1.00 0.00 ? 26 SER A H 18 ATOM 11405 H HA . SER A 1 26 ? 0.995 -0.763 -17.351 1.00 0.00 ? 26 SER A HA 18 ATOM 11406 H HB2 . SER A 1 26 ? 3.120 0.274 -16.433 1.00 0.00 ? 26 SER A HB2 18 ATOM 11407 H HB3 . SER A 1 26 ? 2.429 0.068 -14.824 1.00 0.00 ? 26 SER A HB3 18 ATOM 11408 H HG . SER A 1 26 ? 3.223 -1.892 -16.682 1.00 0.00 ? 26 SER A HG 18 ATOM 11409 N N . HIS A 1 27 ? -1.231 -0.341 -15.560 1.00 0.00 ? 27 HIS A N 18 ATOM 11410 C CA . HIS A 1 27 ? -2.298 -0.825 -14.691 1.00 0.00 ? 27 HIS A CA 18 ATOM 11411 C C . HIS A 1 27 ? -1.921 -0.659 -13.222 1.00 0.00 ? 27 HIS A C 18 ATOM 11412 O O . HIS A 1 27 ? -1.989 -1.609 -12.442 1.00 0.00 ? 27 HIS A O 18 ATOM 11413 C CB . HIS A 1 27 ? -2.600 -2.293 -14.990 1.00 0.00 ? 27 HIS A CB 18 ATOM 11414 C CG . HIS A 1 27 ? -4.011 -2.690 -14.679 1.00 0.00 ? 27 HIS A CG 18 ATOM 11415 N ND1 . HIS A 1 27 ? -4.347 -3.916 -14.145 1.00 0.00 ? 27 HIS A ND1 18 ATOM 11416 C CD2 . HIS A 1 27 ? -5.174 -2.014 -14.828 1.00 0.00 ? 27 HIS A CD2 18 ATOM 11417 C CE1 . HIS A 1 27 ? -5.657 -3.978 -13.981 1.00 0.00 ? 27 HIS A CE1 18 ATOM 11418 N NE2 . HIS A 1 27 ? -6.182 -2.836 -14.387 1.00 0.00 ? 27 HIS A NE2 18 ATOM 11419 H H . HIS A 1 27 ? -1.435 0.338 -16.236 1.00 0.00 ? 27 HIS A H 18 ATOM 11420 H HA . HIS A 1 27 ? -3.181 -0.237 -14.892 1.00 0.00 ? 27 HIS A HA 18 ATOM 11421 H HB2 . HIS A 1 27 ? -2.426 -2.484 -16.039 1.00 0.00 ? 27 HIS A HB2 18 ATOM 11422 H HB3 . HIS A 1 27 ? -1.942 -2.917 -14.401 1.00 0.00 ? 27 HIS A HB3 18 ATOM 11423 H HD1 . HIS A 1 27 ? -3.720 -4.635 -13.922 1.00 0.00 ? 27 HIS A HD1 18 ATOM 11424 H HD2 . HIS A 1 27 ? -5.289 -1.013 -15.221 1.00 0.00 ? 27 HIS A HD2 18 ATOM 11425 H HE1 . HIS A 1 27 ? -6.205 -4.818 -13.582 1.00 0.00 ? 27 HIS A HE1 18 ATOM 11426 N N . CYS A 1 28 ? -1.523 0.554 -12.852 1.00 0.00 ? 28 CYS A N 18 ATOM 11427 C CA . CYS A 1 28 ? -1.133 0.845 -11.478 1.00 0.00 ? 28 CYS A CA 18 ATOM 11428 C C . CYS A 1 28 ? -2.071 1.873 -10.853 1.00 0.00 ? 28 CYS A C 18 ATOM 11429 O O . CYS A 1 28 ? -2.154 1.992 -9.630 1.00 0.00 ? 28 CYS A O 18 ATOM 11430 C CB . CYS A 1 28 ? 0.307 1.357 -11.431 1.00 0.00 ? 28 CYS A CB 18 ATOM 11431 S SG . CYS A 1 28 ? 1.245 0.808 -9.969 1.00 0.00 ? 28 CYS A SG 18 ATOM 11432 H H . CYS A 1 28 ? -1.489 1.271 -13.520 1.00 0.00 ? 28 CYS A H 18 ATOM 11433 H HA . CYS A 1 28 ? -1.198 -0.073 -10.913 1.00 0.00 ? 28 CYS A HA 18 ATOM 11434 H HB2 . CYS A 1 28 ? 0.834 1.008 -12.308 1.00 0.00 ? 28 CYS A HB2 18 ATOM 11435 H HB3 . CYS A 1 28 ? 0.297 2.437 -11.430 1.00 0.00 ? 28 CYS A HB3 18 ATOM 11436 N N . PHE A 1 29 ? -2.776 2.615 -11.701 1.00 0.00 ? 29 PHE A N 18 ATOM 11437 C CA . PHE A 1 29 ? -3.708 3.635 -11.233 1.00 0.00 ? 29 PHE A CA 18 ATOM 11438 C C . PHE A 1 29 ? -5.132 3.314 -11.676 1.00 0.00 ? 29 PHE A C 18 ATOM 11439 O O . PHE A 1 29 ? -6.100 3.707 -11.026 1.00 0.00 ? 29 PHE A O 18 ATOM 11440 C CB . PHE A 1 29 ? -3.296 5.012 -11.757 1.00 0.00 ? 29 PHE A CB 18 ATOM 11441 C CG . PHE A 1 29 ? -2.179 5.641 -10.975 1.00 0.00 ? 29 PHE A CG 18 ATOM 11442 C CD1 . PHE A 1 29 ? -0.977 4.974 -10.799 1.00 0.00 ? 29 PHE A CD1 18 ATOM 11443 C CD2 . PHE A 1 29 ? -2.330 6.900 -10.416 1.00 0.00 ? 29 PHE A CD2 18 ATOM 11444 C CE1 . PHE A 1 29 ? 0.052 5.551 -10.080 1.00 0.00 ? 29 PHE A CE1 18 ATOM 11445 C CE2 . PHE A 1 29 ? -1.304 7.482 -9.695 1.00 0.00 ? 29 PHE A CE2 18 ATOM 11446 C CZ . PHE A 1 29 ? -0.111 6.807 -9.528 1.00 0.00 ? 29 PHE A CZ 18 ATOM 11447 H H . PHE A 1 29 ? -2.666 2.474 -12.665 1.00 0.00 ? 29 PHE A H 18 ATOM 11448 H HA . PHE A 1 29 ? -3.673 3.644 -10.154 1.00 0.00 ? 29 PHE A HA 18 ATOM 11449 H HB2 . PHE A 1 29 ? -2.970 4.916 -12.782 1.00 0.00 ? 29 PHE A HB2 18 ATOM 11450 H HB3 . PHE A 1 29 ? -4.147 5.674 -11.715 1.00 0.00 ? 29 PHE A HB3 18 ATOM 11451 H HD1 . PHE A 1 29 ? -0.847 3.993 -11.231 1.00 0.00 ? 29 PHE A HD1 18 ATOM 11452 H HD2 . PHE A 1 29 ? -3.264 7.429 -10.546 1.00 0.00 ? 29 PHE A HD2 18 ATOM 11453 H HE1 . PHE A 1 29 ? 0.985 5.021 -9.950 1.00 0.00 ? 29 PHE A HE1 18 ATOM 11454 H HE2 . PHE A 1 29 ? -1.436 8.464 -9.265 1.00 0.00 ? 29 PHE A HE2 18 ATOM 11455 H HZ . PHE A 1 29 ? 0.692 7.259 -8.965 1.00 0.00 ? 29 PHE A HZ 18 ATOM 11456 N N . GLY A 1 30 ? -5.252 2.598 -12.790 1.00 0.00 ? 30 GLY A N 18 ATOM 11457 C CA . GLY A 1 30 ? -6.561 2.237 -13.303 1.00 0.00 ? 30 GLY A CA 18 ATOM 11458 C C . GLY A 1 30 ? -7.030 3.170 -14.402 1.00 0.00 ? 30 GLY A C 18 ATOM 11459 O O . GLY A 1 30 ? -8.231 3.334 -14.616 1.00 0.00 ? 30 GLY A O 18 ATOM 11460 H H . GLY A 1 30 ? -4.445 2.312 -13.267 1.00 0.00 ? 30 GLY A H 18 ATOM 11461 H HA2 . GLY A 1 30 ? -6.518 1.231 -13.692 1.00 0.00 ? 30 GLY A HA2 18 ATOM 11462 H HA3 . GLY A 1 30 ? -7.274 2.268 -12.492 1.00 0.00 ? 30 GLY A HA3 18 ATOM 11463 N N . VAL A 1 31 ? -6.080 3.783 -15.101 1.00 0.00 ? 31 VAL A N 18 ATOM 11464 C CA . VAL A 1 31 ? -6.403 4.705 -16.183 1.00 0.00 ? 31 VAL A CA 18 ATOM 11465 C C . VAL A 1 31 ? -6.282 4.022 -17.541 1.00 0.00 ? 31 VAL A C 18 ATOM 11466 O O . VAL A 1 31 ? -7.022 4.334 -18.474 1.00 0.00 ? 31 VAL A O 18 ATOM 11467 C CB . VAL A 1 31 ? -5.485 5.942 -16.160 1.00 0.00 ? 31 VAL A CB 18 ATOM 11468 C CG1 . VAL A 1 31 ? -5.671 6.721 -14.867 1.00 0.00 ? 31 VAL A CG1 18 ATOM 11469 C CG2 . VAL A 1 31 ? -4.031 5.529 -16.339 1.00 0.00 ? 31 VAL A CG2 18 ATOM 11470 H H . VAL A 1 31 ? -5.140 3.612 -14.883 1.00 0.00 ? 31 VAL A H 18 ATOM 11471 H HA . VAL A 1 31 ? -7.422 5.037 -16.048 1.00 0.00 ? 31 VAL A HA 18 ATOM 11472 H HB . VAL A 1 31 ? -5.759 6.584 -16.984 1.00 0.00 ? 31 VAL A HB 18 ATOM 11473 H HG11 . VAL A 1 31 ? -5.884 7.754 -15.097 1.00 0.00 ? 31 VAL A HG11 18 ATOM 11474 H HG12 . VAL A 1 31 ? -6.493 6.299 -14.307 1.00 0.00 ? 31 VAL A HG12 18 ATOM 11475 H HG13 . VAL A 1 31 ? -4.767 6.663 -14.278 1.00 0.00 ? 31 VAL A HG13 18 ATOM 11476 H HG21 . VAL A 1 31 ? -3.720 5.735 -17.352 1.00 0.00 ? 31 VAL A HG21 18 ATOM 11477 H HG22 . VAL A 1 31 ? -3.413 6.087 -15.651 1.00 0.00 ? 31 VAL A HG22 18 ATOM 11478 H HG23 . VAL A 1 31 ? -3.929 4.472 -16.139 1.00 0.00 ? 31 VAL A HG23 18 ATOM 11479 N N . LYS A 1 32 ? -5.343 3.087 -17.645 1.00 0.00 ? 32 LYS A N 18 ATOM 11480 C CA . LYS A 1 32 ? -5.125 2.357 -18.888 1.00 0.00 ? 32 LYS A CA 18 ATOM 11481 C C . LYS A 1 32 ? -6.408 1.675 -19.351 1.00 0.00 ? 32 LYS A C 18 ATOM 11482 O O . LYS A 1 32 ? -6.981 0.854 -18.634 1.00 0.00 ? 32 LYS A O 18 ATOM 11483 C CB . LYS A 1 32 ? -4.019 1.314 -18.704 1.00 0.00 ? 32 LYS A CB 18 ATOM 11484 C CG . LYS A 1 32 ? -3.914 0.329 -19.854 1.00 0.00 ? 32 LYS A CG 18 ATOM 11485 C CD . LYS A 1 32 ? -3.558 1.027 -21.156 1.00 0.00 ? 32 LYS A CD 18 ATOM 11486 C CE . LYS A 1 32 ? -2.092 1.431 -21.189 1.00 0.00 ? 32 LYS A CE 18 ATOM 11487 N NZ . LYS A 1 32 ? -1.593 1.595 -22.582 1.00 0.00 ? 32 LYS A NZ 18 ATOM 11488 H H . LYS A 1 32 ? -4.784 2.883 -16.866 1.00 0.00 ? 32 LYS A H 18 ATOM 11489 H HA . LYS A 1 32 ? -4.817 3.067 -19.640 1.00 0.00 ? 32 LYS A HA 18 ATOM 11490 H HB2 . LYS A 1 32 ? -3.072 1.825 -18.607 1.00 0.00 ? 32 LYS A HB2 18 ATOM 11491 H HB3 . LYS A 1 32 ? -4.213 0.758 -17.798 1.00 0.00 ? 32 LYS A HB3 18 ATOM 11492 H HG2 . LYS A 1 32 ? -3.148 -0.397 -19.627 1.00 0.00 ? 32 LYS A HG2 18 ATOM 11493 H HG3 . LYS A 1 32 ? -4.864 -0.173 -19.974 1.00 0.00 ? 32 LYS A HG3 18 ATOM 11494 H HD2 . LYS A 1 32 ? -3.754 0.357 -21.980 1.00 0.00 ? 32 LYS A HD2 18 ATOM 11495 H HD3 . LYS A 1 32 ? -4.169 1.913 -21.258 1.00 0.00 ? 32 LYS A HD3 18 ATOM 11496 H HE2 . LYS A 1 32 ? -1.977 2.366 -20.662 1.00 0.00 ? 32 LYS A HE2 18 ATOM 11497 H HE3 . LYS A 1 32 ? -1.511 0.666 -20.695 1.00 0.00 ? 32 LYS A HE3 18 ATOM 11498 H HZ1 . LYS A 1 32 ? -1.888 2.517 -22.962 1.00 0.00 ? 32 LYS A HZ1 18 ATOM 11499 H HZ2 . LYS A 1 32 ? -1.977 0.843 -23.190 1.00 0.00 ? 32 LYS A HZ2 18 ATOM 11500 H HZ3 . LYS A 1 32 ? -0.555 1.541 -22.599 1.00 0.00 ? 32 LYS A HZ3 18 ATOM 11501 N N . HIS A 1 33 ? -6.855 2.019 -20.555 1.00 0.00 ? 33 HIS A N 18 ATOM 11502 C CA . HIS A 1 33 ? -8.070 1.439 -21.115 1.00 0.00 ? 33 HIS A CA 18 ATOM 11503 C C . HIS A 1 33 ? -7.822 0.008 -21.584 1.00 0.00 ? 33 HIS A C 18 ATOM 11504 O O . HIS A 1 33 ? -6.896 -0.252 -22.352 1.00 0.00 ? 33 HIS A O 18 ATOM 11505 C CB . HIS A 1 33 ? -8.577 2.289 -22.280 1.00 0.00 ? 33 HIS A CB 18 ATOM 11506 C CG . HIS A 1 33 ? -9.146 3.608 -21.856 1.00 0.00 ? 33 HIS A CG 18 ATOM 11507 N ND1 . HIS A 1 33 ? -8.794 4.804 -22.445 1.00 0.00 ? 33 HIS A ND1 18 ATOM 11508 C CD2 . HIS A 1 33 ? -10.048 3.915 -20.895 1.00 0.00 ? 33 HIS A CD2 18 ATOM 11509 C CE1 . HIS A 1 33 ? -9.455 5.790 -21.864 1.00 0.00 ? 33 HIS A CE1 18 ATOM 11510 N NE2 . HIS A 1 33 ? -10.223 5.277 -20.920 1.00 0.00 ? 33 HIS A NE2 18 ATOM 11511 H H . HIS A 1 33 ? -6.355 2.679 -21.079 1.00 0.00 ? 33 HIS A H 18 ATOM 11512 H HA . HIS A 1 33 ? -8.819 1.425 -20.338 1.00 0.00 ? 33 HIS A HA 18 ATOM 11513 H HB2 . HIS A 1 33 ? -7.759 2.484 -22.958 1.00 0.00 ? 33 HIS A HB2 18 ATOM 11514 H HB3 . HIS A 1 33 ? -9.351 1.746 -22.804 1.00 0.00 ? 33 HIS A HB3 18 ATOM 11515 H HD1 . HIS A 1 33 ? -8.155 4.914 -23.179 1.00 0.00 ? 33 HIS A HD1 18 ATOM 11516 H HD2 . HIS A 1 33 ? -10.540 3.218 -20.230 1.00 0.00 ? 33 HIS A HD2 18 ATOM 11517 H HE1 . HIS A 1 33 ? -9.380 6.836 -22.118 1.00 0.00 ? 33 HIS A HE1 18 ATOM 11518 N N . SER A 1 34 ? -8.656 -0.916 -21.116 1.00 0.00 ? 34 SER A N 18 ATOM 11519 C CA . SER A 1 34 ? -8.525 -2.320 -21.484 1.00 0.00 ? 34 SER A CA 18 ATOM 11520 C C . SER A 1 34 ? -9.282 -2.617 -22.775 1.00 0.00 ? 34 SER A C 18 ATOM 11521 O O . SER A 1 34 ? -10.512 -2.675 -22.786 1.00 0.00 ? 34 SER A O 18 ATOM 11522 C CB . SER A 1 34 ? -9.044 -3.215 -20.357 1.00 0.00 ? 34 SER A CB 18 ATOM 11523 O OG . SER A 1 34 ? -10.436 -3.033 -20.162 1.00 0.00 ? 34 SER A OG 18 ATOM 11524 H H . SER A 1 34 ? -9.375 -0.645 -20.507 1.00 0.00 ? 34 SER A H 18 ATOM 11525 H HA . SER A 1 34 ? -7.476 -2.525 -21.640 1.00 0.00 ? 34 SER A HA 18 ATOM 11526 H HB2 . SER A 1 34 ? -8.860 -4.249 -20.607 1.00 0.00 ? 34 SER A HB2 18 ATOM 11527 H HB3 . SER A 1 34 ? -8.529 -2.970 -19.440 1.00 0.00 ? 34 SER A HB3 18 ATOM 11528 H HG . SER A 1 34 ? -10.787 -3.769 -19.655 1.00 0.00 ? 34 SER A HG 18 ATOM 11529 N N . SER A 1 35 ? -8.538 -2.805 -23.860 1.00 0.00 ? 35 SER A N 18 ATOM 11530 C CA . SER A 1 35 ? -9.138 -3.092 -25.158 1.00 0.00 ? 35 SER A CA 18 ATOM 11531 C C . SER A 1 35 ? -10.009 -4.343 -25.089 1.00 0.00 ? 35 SER A C 18 ATOM 11532 O O . SER A 1 35 ? -11.112 -4.376 -25.632 1.00 0.00 ? 35 SER A O 18 ATOM 11533 C CB . SER A 1 35 ? -8.050 -3.272 -26.218 1.00 0.00 ? 35 SER A CB 18 ATOM 11534 O OG . SER A 1 35 ? -8.543 -3.986 -27.338 1.00 0.00 ? 35 SER A OG 18 ATOM 11535 H H . SER A 1 35 ? -7.562 -2.746 -23.786 1.00 0.00 ? 35 SER A H 18 ATOM 11536 H HA . SER A 1 35 ? -9.758 -2.251 -25.430 1.00 0.00 ? 35 SER A HA 18 ATOM 11537 H HB2 . SER A 1 35 ? -7.707 -2.303 -26.546 1.00 0.00 ? 35 SER A HB2 18 ATOM 11538 H HB3 . SER A 1 35 ? -7.223 -3.821 -25.791 1.00 0.00 ? 35 SER A HB3 18 ATOM 11539 H HG . SER A 1 35 ? -7.814 -4.212 -27.920 1.00 0.00 ? 35 SER A HG 18 ATOM 11540 N N . GLY A 1 36 ? -9.503 -5.372 -24.415 1.00 0.00 ? 36 GLY A N 18 ATOM 11541 C CA . GLY A 1 36 ? -10.247 -6.612 -24.287 1.00 0.00 ? 36 GLY A CA 18 ATOM 11542 C C . GLY A 1 36 ? -9.356 -7.789 -23.943 1.00 0.00 ? 36 GLY A C 18 ATOM 11543 O O . GLY A 1 36 ? -8.172 -7.800 -24.279 1.00 0.00 ? 36 GLY A O 18 ATOM 11544 H H . GLY A 1 36 ? -8.618 -5.289 -24.002 1.00 0.00 ? 36 GLY A H 18 ATOM 11545 H HA2 . GLY A 1 36 ? -10.988 -6.496 -23.510 1.00 0.00 ? 36 GLY A HA2 18 ATOM 11546 H HA3 . GLY A 1 36 ? -10.748 -6.816 -25.222 1.00 0.00 ? 36 GLY A HA3 18 ATOM 11547 N N . GLY A 1 37 ? -9.926 -8.784 -23.270 1.00 0.00 ? 37 GLY A N 18 ATOM 11548 C CA . GLY A 1 37 ? -9.160 -9.957 -22.891 1.00 0.00 ? 37 GLY A CA 18 ATOM 11549 C C . GLY A 1 37 ? -8.013 -9.624 -21.957 1.00 0.00 ? 37 GLY A C 18 ATOM 11550 O O . GLY A 1 37 ? -8.230 -9.216 -20.817 1.00 0.00 ? 37 GLY A O 18 ATOM 11551 H H . GLY A 1 37 ? -10.874 -8.721 -23.029 1.00 0.00 ? 37 GLY A H 18 ATOM 11552 H HA2 . GLY A 1 37 ? -9.817 -10.659 -22.400 1.00 0.00 ? 37 GLY A HA2 18 ATOM 11553 H HA3 . GLY A 1 37 ? -8.761 -10.416 -23.783 1.00 0.00 ? 37 GLY A HA3 18 ATOM 11554 N N . GLY A 1 38 ? -6.787 -9.798 -22.442 1.00 0.00 ? 38 GLY A N 18 ATOM 11555 C CA . GLY A 1 38 ? -5.620 -9.510 -21.630 1.00 0.00 ? 38 GLY A CA 18 ATOM 11556 C C . GLY A 1 38 ? -4.385 -9.240 -22.465 1.00 0.00 ? 38 GLY A C 18 ATOM 11557 O O . GLY A 1 38 ? -3.949 -10.094 -23.237 1.00 0.00 ? 38 GLY A O 18 ATOM 11558 H H . GLY A 1 38 ? -6.675 -10.126 -23.360 1.00 0.00 ? 38 GLY A H 18 ATOM 11559 H HA2 . GLY A 1 38 ? -5.825 -8.644 -21.019 1.00 0.00 ? 38 GLY A HA2 18 ATOM 11560 H HA3 . GLY A 1 38 ? -5.427 -10.355 -20.986 1.00 0.00 ? 38 GLY A HA3 18 ATOM 11561 N N . GLY A 1 39 ? -3.818 -8.047 -22.313 1.00 0.00 ? 39 GLY A N 18 ATOM 11562 C CA . GLY A 1 39 ? -2.631 -7.687 -23.067 1.00 0.00 ? 39 GLY A CA 18 ATOM 11563 C C . GLY A 1 39 ? -1.369 -7.756 -22.230 1.00 0.00 ? 39 GLY A C 18 ATOM 11564 O O . GLY A 1 39 ? -1.344 -7.286 -21.093 1.00 0.00 ? 39 GLY A O 18 ATOM 11565 H H . GLY A 1 39 ? -4.208 -7.406 -21.683 1.00 0.00 ? 39 GLY A H 18 ATOM 11566 H HA2 . GLY A 1 39 ? -2.533 -8.362 -23.905 1.00 0.00 ? 39 GLY A HA2 18 ATOM 11567 H HA3 . GLY A 1 39 ? -2.748 -6.680 -23.440 1.00 0.00 ? 39 GLY A HA3 18 ATOM 11568 N N . SER A 1 40 ? -0.319 -8.344 -22.794 1.00 0.00 ? 40 SER A N 18 ATOM 11569 C CA . SER A 1 40 ? 0.951 -8.477 -22.089 1.00 0.00 ? 40 SER A CA 18 ATOM 11570 C C . SER A 1 40 ? 2.124 -8.384 -23.061 1.00 0.00 ? 40 SER A C 18 ATOM 11571 O O . SER A 1 40 ? 2.006 -8.753 -24.230 1.00 0.00 ? 40 SER A O 18 ATOM 11572 C CB . SER A 1 40 ? 1.003 -9.807 -21.335 1.00 0.00 ? 40 SER A CB 18 ATOM 11573 O OG . SER A 1 40 ? 2.237 -9.960 -20.656 1.00 0.00 ? 40 SER A OG 18 ATOM 11574 H H . SER A 1 40 ? -0.401 -8.699 -23.704 1.00 0.00 ? 40 SER A H 18 ATOM 11575 H HA . SER A 1 40 ? 1.023 -7.667 -21.379 1.00 0.00 ? 40 SER A HA 18 ATOM 11576 H HB2 . SER A 1 40 ? 0.202 -9.840 -20.613 1.00 0.00 ? 40 SER A HB2 18 ATOM 11577 H HB3 . SER A 1 40 ? 0.889 -10.620 -22.037 1.00 0.00 ? 40 SER A HB3 18 ATOM 11578 H HG . SER A 1 40 ? 2.652 -10.783 -20.925 1.00 0.00 ? 40 SER A HG 18 ATOM 11579 N N . TYR A 1 41 ? 3.254 -7.889 -22.570 1.00 0.00 ? 41 TYR A N 18 ATOM 11580 C CA . TYR A 1 41 ? 4.448 -7.745 -23.394 1.00 0.00 ? 41 TYR A CA 18 ATOM 11581 C C . TYR A 1 41 ? 4.989 -9.108 -23.812 1.00 0.00 ? 41 TYR A C 18 ATOM 11582 O O . TYR A 1 41 ? 4.683 -10.128 -23.192 1.00 0.00 ? 41 TYR A O 18 ATOM 11583 C CB . TYR A 1 41 ? 5.525 -6.966 -22.637 1.00 0.00 ? 41 TYR A CB 18 ATOM 11584 C CG . TYR A 1 41 ? 6.443 -6.171 -23.537 1.00 0.00 ? 41 TYR A CG 18 ATOM 11585 C CD1 . TYR A 1 41 ? 6.141 -4.861 -23.887 1.00 0.00 ? 41 TYR A CD1 18 ATOM 11586 C CD2 . TYR A 1 41 ? 7.613 -6.730 -24.037 1.00 0.00 ? 41 TYR A CD2 18 ATOM 11587 C CE1 . TYR A 1 41 ? 6.977 -4.131 -24.710 1.00 0.00 ? 41 TYR A CE1 18 ATOM 11588 C CE2 . TYR A 1 41 ? 8.455 -6.007 -24.859 1.00 0.00 ? 41 TYR A CE2 18 ATOM 11589 C CZ . TYR A 1 41 ? 8.133 -4.708 -25.193 1.00 0.00 ? 41 TYR A CZ 18 ATOM 11590 O OH . TYR A 1 41 ? 8.968 -3.984 -26.012 1.00 0.00 ? 41 TYR A OH 18 ATOM 11591 H H . TYR A 1 41 ? 3.286 -7.612 -21.630 1.00 0.00 ? 41 TYR A H 18 ATOM 11592 H HA . TYR A 1 41 ? 4.174 -7.191 -24.280 1.00 0.00 ? 41 TYR A HA 18 ATOM 11593 H HB2 . TYR A 1 41 ? 5.050 -6.277 -21.956 1.00 0.00 ? 41 TYR A HB2 18 ATOM 11594 H HB3 . TYR A 1 41 ? 6.131 -7.660 -22.073 1.00 0.00 ? 41 TYR A HB3 18 ATOM 11595 H HD1 . TYR A 1 41 ? 5.235 -4.412 -23.507 1.00 0.00 ? 41 TYR A HD1 18 ATOM 11596 H HD2 . TYR A 1 41 ? 7.863 -7.747 -23.773 1.00 0.00 ? 41 TYR A HD2 18 ATOM 11597 H HE1 . TYR A 1 41 ? 6.724 -3.114 -24.972 1.00 0.00 ? 41 TYR A HE1 18 ATOM 11598 H HE2 . TYR A 1 41 ? 9.360 -6.458 -25.238 1.00 0.00 ? 41 TYR A HE2 18 ATOM 11599 H HH . TYR A 1 41 ? 8.737 -3.053 -25.963 1.00 0.00 ? 41 TYR A HH 18 ATOM 11600 N N . HIS A 1 42 ? 5.796 -9.119 -24.868 1.00 0.00 ? 42 HIS A N 18 ATOM 11601 C CA . HIS A 1 42 ? 6.383 -10.357 -25.370 1.00 0.00 ? 42 HIS A CA 18 ATOM 11602 C C . HIS A 1 42 ? 7.775 -10.574 -24.785 1.00 0.00 ? 42 HIS A C 18 ATOM 11603 O O . HIS A 1 42 ? 8.686 -11.032 -25.476 1.00 0.00 ? 42 HIS A O 18 ATOM 11604 C CB . HIS A 1 42 ? 6.457 -10.328 -26.897 1.00 0.00 ? 42 HIS A CB 18 ATOM 11605 C CG . HIS A 1 42 ? 5.139 -10.571 -27.565 1.00 0.00 ? 42 HIS A CG 18 ATOM 11606 N ND1 . HIS A 1 42 ? 4.819 -10.063 -28.806 1.00 0.00 ? 42 HIS A ND1 18 ATOM 11607 C CD2 . HIS A 1 42 ? 4.056 -11.274 -27.158 1.00 0.00 ? 42 HIS A CD2 18 ATOM 11608 C CE1 . HIS A 1 42 ? 3.596 -10.441 -29.133 1.00 0.00 ? 42 HIS A CE1 18 ATOM 11609 N NE2 . HIS A 1 42 ? 3.111 -11.178 -28.150 1.00 0.00 ? 42 HIS A NE2 18 ATOM 11610 H H . HIS A 1 42 ? 6.003 -8.274 -25.320 1.00 0.00 ? 42 HIS A H 18 ATOM 11611 H HA . HIS A 1 42 ? 5.746 -11.173 -25.064 1.00 0.00 ? 42 HIS A HA 18 ATOM 11612 H HB2 . HIS A 1 42 ? 6.816 -9.361 -27.215 1.00 0.00 ? 42 HIS A HB2 18 ATOM 11613 H HB3 . HIS A 1 42 ? 7.145 -11.091 -27.232 1.00 0.00 ? 42 HIS A HB3 18 ATOM 11614 H HD1 . HIS A 1 42 ? 5.401 -9.506 -29.364 1.00 0.00 ? 42 HIS A HD1 18 ATOM 11615 H HD2 . HIS A 1 42 ? 3.953 -11.811 -26.225 1.00 0.00 ? 42 HIS A HD2 18 ATOM 11616 H HE1 . HIS A 1 42 ? 3.081 -10.192 -30.049 1.00 0.00 ? 42 HIS A HE1 18 ATOM 11617 N N . CYS A 1 43 ? 7.934 -10.243 -23.508 1.00 0.00 ? 43 CYS A N 18 ATOM 11618 C CA . CYS A 1 43 ? 9.215 -10.400 -22.830 1.00 0.00 ? 43 CYS A CA 18 ATOM 11619 C C . CYS A 1 43 ? 9.514 -11.874 -22.569 1.00 0.00 ? 43 CYS A C 18 ATOM 11620 O O . CYS A 1 43 ? 10.638 -12.203 -22.193 1.00 0.00 ? 43 CYS A O 18 ATOM 11621 C CB . CYS A 1 43 ? 9.215 -9.627 -21.510 1.00 0.00 ? 43 CYS A CB 18 ATOM 11622 S SG . CYS A 1 43 ? 10.864 -9.439 -20.759 1.00 0.00 ? 43 CYS A SG 18 ATOM 11623 H H . CYS A 1 43 ? 7.170 -9.883 -23.009 1.00 0.00 ? 43 CYS A H 18 ATOM 11624 H HA . CYS A 1 43 ? 9.982 -9.998 -23.473 1.00 0.00 ? 43 CYS A HA 18 ATOM 11625 H HB2 . CYS A 1 43 ? 8.818 -8.637 -21.681 1.00 0.00 ? 43 CYS A HB2 18 ATOM 11626 H HB3 . CYS A 1 43 ? 8.587 -10.143 -20.799 1.00 0.00 ? 43 CYS A HB3 18 HETATM 11627 C C1 . NAG B 2 . ? 5.806 19.255 -20.706 1.00 0.00 ? 101 NAG A C1 18 HETATM 11628 C C2 . NAG B 2 . ? 6.079 20.370 -19.696 1.00 0.00 ? 101 NAG A C2 18 HETATM 11629 C C3 . NAG B 2 . ? 6.451 21.651 -20.450 1.00 0.00 ? 101 NAG A C3 18 HETATM 11630 C C4 . NAG B 2 . ? 7.606 21.338 -21.407 1.00 0.00 ? 101 NAG A C4 18 HETATM 11631 C C5 . NAG B 2 . ? 7.218 20.149 -22.288 1.00 0.00 ? 101 NAG A C5 18 HETATM 11632 C C6 . NAG B 2 . ? 8.354 19.851 -23.269 1.00 0.00 ? 101 NAG A C6 18 HETATM 11633 C C7 . NAG B 2 . ? 4.691 19.928 -17.743 1.00 0.00 ? 101 NAG A C7 18 HETATM 11634 C C8 . NAG B 2 . ? 3.456 20.172 -16.914 1.00 0.00 ? 101 NAG A C8 18 HETATM 11635 N N2 . NAG B 2 . ? 4.879 20.607 -18.891 1.00 0.00 ? 101 NAG A N2 18 HETATM 11636 O O3 . NAG B 2 . ? 6.856 22.661 -19.525 1.00 0.00 ? 101 NAG A O3 18 HETATM 11637 O O4 . NAG B 2 . ? 7.872 22.475 -22.229 1.00 0.00 ? 101 NAG A O4 18 HETATM 11638 O O5 . NAG B 2 . ? 6.979 19.002 -21.476 1.00 0.00 ? 101 NAG A O5 18 HETATM 11639 O O6 . NAG B 2 . ? 7.991 18.745 -24.097 1.00 0.00 ? 101 NAG A O6 18 HETATM 11640 O O7 . NAG B 2 . ? 5.516 19.119 -17.376 1.00 0.00 ? 101 NAG A O7 18 HETATM 11641 H H1 . NAG B 2 . ? 4.991 19.565 -21.378 1.00 0.00 ? 101 NAG A H1 18 HETATM 11642 H H2 . NAG B 2 . ? 6.906 20.074 -19.034 1.00 0.00 ? 101 NAG A H2 18 HETATM 11643 H H3 . NAG B 2 . ? 5.580 22.016 -21.015 1.00 0.00 ? 101 NAG A H3 18 HETATM 11644 H H4 . NAG B 2 . ? 8.509 21.092 -20.828 1.00 0.00 ? 101 NAG A H4 18 HETATM 11645 H H5 . NAG B 2 . ? 6.302 20.394 -22.847 1.00 0.00 ? 101 NAG A H5 18 HETATM 11646 H H61 . NAG B 2 . ? 8.560 20.736 -23.889 1.00 0.00 ? 101 NAG A H61 18 HETATM 11647 H H62 . NAG B 2 . ? 9.279 19.623 -22.717 1.00 0.00 ? 101 NAG A H62 18 HETATM 11648 H H81 . NAG B 2 . ? 3.558 21.126 -16.377 1.00 0.00 ? 101 NAG A H81 18 HETATM 11649 H H82 . NAG B 2 . ? 2.576 20.213 -17.572 1.00 0.00 ? 101 NAG A H82 18 HETATM 11650 H H83 . NAG B 2 . ? 3.333 19.354 -16.189 1.00 0.00 ? 101 NAG A H83 18 HETATM 11651 H HN2 . NAG B 2 . ? 4.198 21.274 -19.193 1.00 0.00 ? 101 NAG A HN2 18 HETATM 11652 H HO3 . NAG B 2 . ? 7.099 23.493 -20.023 1.00 0.00 ? 101 NAG A HO3 18 HETATM 11653 H HO4 . NAG B 2 . ? 8.842 22.491 -22.474 1.00 0.00 ? 101 NAG A HO4 18 HETATM 11654 H HO6 . NAG B 2 . ? 7.460 18.087 -23.562 1.00 0.00 ? 101 NAG A HO6 18 HETATM 11655 C C1 . NAG C 2 . ? 12.731 -10.012 -21.139 1.00 0.00 ? 102 NAG A C1 18 HETATM 11656 C C2 . NAG C 2 . ? 14.042 -10.800 -21.130 1.00 0.00 ? 102 NAG A C2 18 HETATM 11657 C C3 . NAG C 2 . ? 15.176 -9.892 -21.617 1.00 0.00 ? 102 NAG A C3 18 HETATM 11658 C C4 . NAG C 2 . ? 14.779 -9.297 -22.973 1.00 0.00 ? 102 NAG A C4 18 HETATM 11659 C C5 . NAG C 2 . ? 13.411 -8.623 -22.842 1.00 0.00 ? 102 NAG A C5 18 HETATM 11660 C C6 . NAG C 2 . ? 13.023 -7.998 -24.184 1.00 0.00 ? 102 NAG A C6 18 HETATM 11661 C C7 . NAG C 2 . ? 13.878 -12.453 -19.348 1.00 0.00 ? 102 NAG A C7 18 HETATM 11662 C C8 . NAG C 2 . ? 14.175 -12.923 -17.948 1.00 0.00 ? 102 NAG A C8 18 HETATM 11663 N N2 . NAG C 2 . ? 14.331 -11.256 -19.769 1.00 0.00 ? 102 NAG A N2 18 HETATM 11664 O O3 . NAG C 2 . ? 16.379 -10.649 -21.761 1.00 0.00 ? 102 NAG A O3 18 HETATM 11665 O O4 . NAG C 2 . ? 15.750 -8.331 -23.378 1.00 0.00 ? 102 NAG A O4 18 HETATM 11666 O O5 . NAG C 2 . ? 12.431 -9.587 -22.466 1.00 0.00 ? 102 NAG A O5 18 HETATM 11667 O O6 . NAG C 2 . ? 11.749 -7.363 -24.062 1.00 0.00 ? 102 NAG A O6 18 HETATM 11668 O O7 . NAG C 2 . ? 13.229 -13.153 -20.097 1.00 0.00 ? 102 NAG A O7 18 HETATM 11669 H H1 . NAG C 2 . ? 12.833 -9.130 -20.490 1.00 0.00 ? 102 NAG A H1 18 HETATM 11670 H H2 . NAG C 2 . ? 13.953 -11.673 -21.794 1.00 0.00 ? 102 NAG A H2 18 HETATM 11671 H H3 . NAG C 2 . ? 15.348 -9.087 -20.887 1.00 0.00 ? 102 NAG A H3 18 HETATM 11672 H H4 . NAG C 2 . ? 14.729 -10.096 -23.727 1.00 0.00 ? 102 NAG A H4 18 HETATM 11673 H H5 . NAG C 2 . ? 13.464 -7.840 -22.071 1.00 0.00 ? 102 NAG A H5 18 HETATM 11674 H H61 . NAG C 2 . ? 13.783 -7.264 -24.493 1.00 0.00 ? 102 NAG A H61 18 HETATM 11675 H H62 . NAG C 2 . ? 12.986 -8.773 -24.964 1.00 0.00 ? 102 NAG A H62 18 HETATM 11676 H H81 . NAG C 2 . ? 13.463 -12.463 -17.248 1.00 0.00 ? 102 NAG A H81 18 HETATM 11677 H H82 . NAG C 2 . ? 14.080 -14.018 -17.901 1.00 0.00 ? 102 NAG A H82 18 HETATM 11678 H H83 . NAG C 2 . ? 15.200 -12.632 -17.673 1.00 0.00 ? 102 NAG A H83 18 HETATM 11679 H HN2 . NAG C 2 . ? 14.866 -10.679 -19.152 1.00 0.00 ? 102 NAG A HN2 18 HETATM 11680 H HO3 . NAG C 2 . ? 17.114 -10.051 -22.081 1.00 0.00 ? 102 NAG A HO3 18 HETATM 11681 H HO4 . NAG C 2 . ? 15.799 -8.305 -24.376 1.00 0.00 ? 102 NAG A HO4 18 HETATM 11682 H HO6 . NAG C 2 . ? 11.167 -7.896 -23.448 1.00 0.00 ? 102 NAG A HO6 18 ATOM 11683 N N . LYS A 1 1 ? 2.397 -1.888 -3.646 1.00 0.00 ? 1 LYS A N 19 ATOM 11684 C CA . LYS A 1 1 ? 2.812 -1.381 -4.949 1.00 0.00 ? 1 LYS A CA 19 ATOM 11685 C C . LYS A 1 1 ? 4.331 -1.274 -5.033 1.00 0.00 ? 1 LYS A C 19 ATOM 11686 O O . LYS A 1 1 ? 5.031 -1.237 -4.021 1.00 0.00 ? 1 LYS A O 19 ATOM 11687 C CB . LYS A 1 1 ? 2.178 -0.013 -5.212 1.00 0.00 ? 1 LYS A CB 19 ATOM 11688 C CG . LYS A 1 1 ? 0.788 -0.093 -5.820 1.00 0.00 ? 1 LYS A CG 19 ATOM 11689 C CD . LYS A 1 1 ? -0.047 1.125 -5.465 1.00 0.00 ? 1 LYS A CD 19 ATOM 11690 C CE . LYS A 1 1 ? -1.535 0.812 -5.504 1.00 0.00 ? 1 LYS A CE 19 ATOM 11691 N NZ . LYS A 1 1 ? -2.115 1.043 -6.856 1.00 0.00 ? 1 LYS A NZ 19 ATOM 11692 H H1 . LYS A 1 1 ? 2.105 -1.253 -2.958 1.00 0.00 ? 1 LYS A H1 19 ATOM 11693 H HA . LYS A 1 1 ? 2.470 -2.077 -5.700 1.00 0.00 ? 1 LYS A HA 19 ATOM 11694 H HB2 . LYS A 1 1 ? 2.109 0.524 -4.278 1.00 0.00 ? 1 LYS A HB2 19 ATOM 11695 H HB3 . LYS A 1 1 ? 2.813 0.540 -5.890 1.00 0.00 ? 1 LYS A HB3 19 ATOM 11696 H HG2 . LYS A 1 1 ? 0.878 -0.154 -6.895 1.00 0.00 ? 1 LYS A HG2 19 ATOM 11697 H HG3 . LYS A 1 1 ? 0.293 -0.979 -5.448 1.00 0.00 ? 1 LYS A HG3 19 ATOM 11698 H HD2 . LYS A 1 1 ? 0.214 1.452 -4.469 1.00 0.00 ? 1 LYS A HD2 19 ATOM 11699 H HD3 . LYS A 1 1 ? 0.165 1.915 -6.172 1.00 0.00 ? 1 LYS A HD3 19 ATOM 11700 H HE2 . LYS A 1 1 ? -1.679 -0.223 -5.233 1.00 0.00 ? 1 LYS A HE2 19 ATOM 11701 H HE3 . LYS A 1 1 ? -2.042 1.445 -4.791 1.00 0.00 ? 1 LYS A HE3 19 ATOM 11702 H HZ1 . LYS A 1 1 ? -1.992 2.038 -7.132 1.00 0.00 ? 1 LYS A HZ1 19 ATOM 11703 H HZ2 . LYS A 1 1 ? -3.130 0.818 -6.852 1.00 0.00 ? 1 LYS A HZ2 19 ATOM 11704 H HZ3 . LYS A 1 1 ? -1.640 0.439 -7.557 1.00 0.00 ? 1 LYS A HZ3 19 ATOM 11705 N N . PRO A 1 2 ? 4.854 -1.221 -6.267 1.00 0.00 ? 2 PRO A N 19 ATOM 11706 C CA . PRO A 1 2 ? 6.296 -1.115 -6.511 1.00 0.00 ? 2 PRO A CA 19 ATOM 11707 C C . PRO A 1 2 ? 6.853 0.246 -6.111 1.00 0.00 ? 2 PRO A C 19 ATOM 11708 O O . PRO A 1 2 ? 6.175 1.036 -5.454 1.00 0.00 ? 2 PRO A O 19 ATOM 11709 C CB . PRO A 1 2 ? 6.414 -1.318 -8.024 1.00 0.00 ? 2 PRO A CB 19 ATOM 11710 C CG . PRO A 1 2 ? 5.092 -0.897 -8.567 1.00 0.00 ? 2 PRO A CG 19 ATOM 11711 C CD . PRO A 1 2 ? 4.079 -1.260 -7.518 1.00 0.00 ? 2 PRO A CD 19 ATOM 11712 H HA . PRO A 1 2 ? 6.843 -1.892 -5.999 1.00 0.00 ? 2 PRO A HA 19 ATOM 11713 H HB2 . PRO A 1 2 ? 7.215 -0.703 -8.410 1.00 0.00 ? 2 PRO A HB2 19 ATOM 11714 H HB3 . PRO A 1 2 ? 6.616 -2.356 -8.237 1.00 0.00 ? 2 PRO A HB3 19 ATOM 11715 H HG2 . PRO A 1 2 ? 5.088 0.169 -8.740 1.00 0.00 ? 2 PRO A HG2 19 ATOM 11716 H HG3 . PRO A 1 2 ? 4.888 -1.428 -9.485 1.00 0.00 ? 2 PRO A HG3 19 ATOM 11717 H HD2 . PRO A 1 2 ? 3.279 -0.535 -7.499 1.00 0.00 ? 2 PRO A HD2 19 ATOM 11718 H HD3 . PRO A 1 2 ? 3.688 -2.251 -7.698 1.00 0.00 ? 2 PRO A HD3 19 ATOM 11719 N N . ALA A 1 3 ? 8.092 0.514 -6.510 1.00 0.00 ? 3 ALA A N 19 ATOM 11720 C CA . ALA A 1 3 ? 8.739 1.781 -6.194 1.00 0.00 ? 3 ALA A CA 19 ATOM 11721 C C . ALA A 1 3 ? 8.467 2.821 -7.276 1.00 0.00 ? 3 ALA A C 19 ATOM 11722 O O . ALA A 1 3 ? 9.098 3.878 -7.307 1.00 0.00 ? 3 ALA A O 19 ATOM 11723 C CB . ALA A 1 3 ? 10.237 1.579 -6.019 1.00 0.00 ? 3 ALA A CB 19 ATOM 11724 H H . ALA A 1 3 ? 8.582 -0.156 -7.031 1.00 0.00 ? 3 ALA A H 19 ATOM 11725 H HA . ALA A 1 3 ? 8.337 2.137 -5.257 1.00 0.00 ? 3 ALA A HA 19 ATOM 11726 H HB1 . ALA A 1 3 ? 10.697 2.519 -5.748 1.00 0.00 ? 3 ALA A HB1 19 ATOM 11727 H HB2 . ALA A 1 3 ? 10.414 0.854 -5.239 1.00 0.00 ? 3 ALA A HB2 19 ATOM 11728 H HB3 . ALA A 1 3 ? 10.663 1.224 -6.945 1.00 0.00 ? 3 ALA A HB3 19 ATOM 11729 N N . TRP A 1 4 ? 7.525 2.515 -8.160 1.00 0.00 ? 4 TRP A N 19 ATOM 11730 C CA . TRP A 1 4 ? 7.170 3.424 -9.244 1.00 0.00 ? 4 TRP A CA 19 ATOM 11731 C C . TRP A 1 4 ? 5.829 4.097 -8.973 1.00 0.00 ? 4 TRP A C 19 ATOM 11732 O O . TRP A 1 4 ? 5.706 5.318 -9.069 1.00 0.00 ? 4 TRP A O 19 ATOM 11733 C CB . TRP A 1 4 ? 7.116 2.669 -10.574 1.00 0.00 ? 4 TRP A CB 19 ATOM 11734 C CG . TRP A 1 4 ? 7.868 1.372 -10.551 1.00 0.00 ? 4 TRP A CG 19 ATOM 11735 C CD1 . TRP A 1 4 ? 9.151 1.176 -10.128 1.00 0.00 ? 4 TRP A CD1 19 ATOM 11736 C CD2 . TRP A 1 4 ? 7.382 0.093 -10.971 1.00 0.00 ? 4 TRP A CD2 19 ATOM 11737 N NE1 . TRP A 1 4 ? 9.493 -0.148 -10.260 1.00 0.00 ? 4 TRP A NE1 19 ATOM 11738 C CE2 . TRP A 1 4 ? 8.424 -0.834 -10.774 1.00 0.00 ? 4 TRP A CE2 19 ATOM 11739 C CE3 . TRP A 1 4 ? 6.167 -0.361 -11.492 1.00 0.00 ? 4 TRP A CE3 19 ATOM 11740 C CZ2 . TRP A 1 4 ? 8.287 -2.185 -11.082 1.00 0.00 ? 4 TRP A CZ2 19 ATOM 11741 C CZ3 . TRP A 1 4 ? 6.032 -1.702 -11.798 1.00 0.00 ? 4 TRP A CZ3 19 ATOM 11742 C CH2 . TRP A 1 4 ? 7.087 -2.601 -11.591 1.00 0.00 ? 4 TRP A CH2 19 ATOM 11743 H H . TRP A 1 4 ? 7.057 1.657 -8.083 1.00 0.00 ? 4 TRP A H 19 ATOM 11744 H HA . TRP A 1 4 ? 7.936 4.183 -9.303 1.00 0.00 ? 4 TRP A HA 19 ATOM 11745 H HB2 . TRP A 1 4 ? 6.087 2.453 -10.817 1.00 0.00 ? 4 TRP A HB2 19 ATOM 11746 H HB3 . TRP A 1 4 ? 7.543 3.289 -11.349 1.00 0.00 ? 4 TRP A HB3 19 ATOM 11747 H HD1 . TRP A 1 4 ? 9.793 1.957 -9.750 1.00 0.00 ? 4 TRP A HD1 19 ATOM 11748 H HE1 . TRP A 1 4 ? 10.360 -0.539 -10.022 1.00 0.00 ? 4 TRP A HE1 19 ATOM 11749 H HE3 . TRP A 1 4 ? 5.343 0.317 -11.659 1.00 0.00 ? 4 TRP A HE3 19 ATOM 11750 H HZ2 . TRP A 1 4 ? 9.090 -2.891 -10.927 1.00 0.00 ? 4 TRP A HZ2 19 ATOM 11751 H HZ3 . TRP A 1 4 ? 5.101 -2.070 -12.202 1.00 0.00 ? 4 TRP A HZ3 19 ATOM 11752 H HH2 . TRP A 1 4 ? 6.937 -3.640 -11.844 1.00 0.00 ? 4 TRP A HH2 19 ATOM 11753 N N . CYS A 1 5 ? 4.826 3.293 -8.635 1.00 0.00 ? 5 CYS A N 19 ATOM 11754 C CA . CYS A 1 5 ? 3.494 3.811 -8.350 1.00 0.00 ? 5 CYS A CA 19 ATOM 11755 C C . CYS A 1 5 ? 3.387 4.270 -6.899 1.00 0.00 ? 5 CYS A C 19 ATOM 11756 O O . CYS A 1 5 ? 4.391 4.369 -6.194 1.00 0.00 ? 5 CYS A O 19 ATOM 11757 C CB . CYS A 1 5 ? 2.437 2.743 -8.637 1.00 0.00 ? 5 CYS A CB 19 ATOM 11758 S SG . CYS A 1 5 ? 2.701 1.835 -10.195 1.00 0.00 ? 5 CYS A SG 19 ATOM 11759 H H . CYS A 1 5 ? 4.986 2.327 -8.576 1.00 0.00 ? 5 CYS A H 19 ATOM 11760 H HA . CYS A 1 5 ? 3.321 4.658 -8.997 1.00 0.00 ? 5 CYS A HA 19 ATOM 11761 H HB2 . CYS A 1 5 ? 2.438 2.021 -7.833 1.00 0.00 ? 5 CYS A HB2 19 ATOM 11762 H HB3 . CYS A 1 5 ? 1.466 3.213 -8.691 1.00 0.00 ? 5 CYS A HB3 19 ATOM 11763 N N . TRP A 1 6 ? 2.165 4.549 -6.461 1.00 0.00 ? 6 TRP A N 19 ATOM 11764 C CA . TRP A 1 6 ? 1.927 4.998 -5.094 1.00 0.00 ? 6 TRP A CA 19 ATOM 11765 C C . TRP A 1 6 ? 0.475 4.768 -4.690 1.00 0.00 ? 6 TRP A C 19 ATOM 11766 O O . TRP A 1 6 ? 0.192 4.327 -3.576 1.00 0.00 ? 6 TRP A O 19 ATOM 11767 C CB . TRP A 1 6 ? 2.281 6.479 -4.952 1.00 0.00 ? 6 TRP A CB 19 ATOM 11768 C CG . TRP A 1 6 ? 3.030 6.793 -3.693 1.00 0.00 ? 6 TRP A CG 19 ATOM 11769 C CD1 . TRP A 1 6 ? 4.370 7.031 -3.575 1.00 0.00 ? 6 TRP A CD1 19 ATOM 11770 C CD2 . TRP A 1 6 ? 2.483 6.902 -2.375 1.00 0.00 ? 6 TRP A CD2 19 ATOM 11771 N NE1 . TRP A 1 6 ? 4.688 7.281 -2.262 1.00 0.00 ? 6 TRP A NE1 19 ATOM 11772 C CE2 . TRP A 1 6 ? 3.548 7.209 -1.506 1.00 0.00 ? 6 TRP A CE2 19 ATOM 11773 C CE3 . TRP A 1 6 ? 1.197 6.773 -1.844 1.00 0.00 ? 6 TRP A CE3 19 ATOM 11774 C CZ2 . TRP A 1 6 ? 3.365 7.386 -0.137 1.00 0.00 ? 6 TRP A CZ2 19 ATOM 11775 C CZ3 . TRP A 1 6 ? 1.016 6.949 -0.485 1.00 0.00 ? 6 TRP A CZ3 19 ATOM 11776 C CH2 . TRP A 1 6 ? 2.095 7.253 0.356 1.00 0.00 ? 6 TRP A CH2 19 ATOM 11777 H H . TRP A 1 6 ? 1.404 4.451 -7.071 1.00 0.00 ? 6 TRP A H 19 ATOM 11778 H HA . TRP A 1 6 ? 2.565 4.421 -4.441 1.00 0.00 ? 6 TRP A HA 19 ATOM 11779 H HB2 . TRP A 1 6 ? 2.894 6.778 -5.789 1.00 0.00 ? 6 TRP A HB2 19 ATOM 11780 H HB3 . TRP A 1 6 ? 1.370 7.060 -4.953 1.00 0.00 ? 6 TRP A HB3 19 ATOM 11781 H HD1 . TRP A 1 6 ? 5.065 7.019 -4.400 1.00 0.00 ? 6 TRP A HD1 19 ATOM 11782 H HE1 . TRP A 1 6 ? 5.586 7.480 -1.922 1.00 0.00 ? 6 TRP A HE1 19 ATOM 11783 H HE3 . TRP A 1 6 ? 0.353 6.539 -2.476 1.00 0.00 ? 6 TRP A HE3 19 ATOM 11784 H HZ2 . TRP A 1 6 ? 4.186 7.622 0.524 1.00 0.00 ? 6 TRP A HZ2 19 ATOM 11785 H HZ3 . TRP A 1 6 ? 0.029 6.852 -0.057 1.00 0.00 ? 6 TRP A HZ3 19 ATOM 11786 H HH2 . TRP A 1 6 ? 1.907 7.382 1.410 1.00 0.00 ? 6 TRP A HH2 19 ATOM 11787 N N . TYR A 1 7 ? -0.443 5.070 -5.603 1.00 0.00 ? 7 TYR A N 19 ATOM 11788 C CA . TYR A 1 7 ? -1.867 4.898 -5.340 1.00 0.00 ? 7 TYR A CA 19 ATOM 11789 C C . TYR A 1 7 ? -2.692 5.223 -6.581 1.00 0.00 ? 7 TYR A C 19 ATOM 11790 O O . TYR A 1 7 ? -2.155 5.367 -7.680 1.00 0.00 ? 7 TYR A O 19 ATOM 11791 C CB . TYR A 1 7 ? -2.303 5.789 -4.176 1.00 0.00 ? 7 TYR A CB 19 ATOM 11792 C CG . TYR A 1 7 ? -3.230 5.099 -3.200 1.00 0.00 ? 7 TYR A CG 19 ATOM 11793 C CD1 . TYR A 1 7 ? -2.863 3.907 -2.588 1.00 0.00 ? 7 TYR A CD1 19 ATOM 11794 C CD2 . TYR A 1 7 ? -4.472 5.639 -2.891 1.00 0.00 ? 7 TYR A CD2 19 ATOM 11795 C CE1 . TYR A 1 7 ? -3.706 3.273 -1.696 1.00 0.00 ? 7 TYR A CE1 19 ATOM 11796 C CE2 . TYR A 1 7 ? -5.321 5.013 -1.999 1.00 0.00 ? 7 TYR A CE2 19 ATOM 11797 C CZ . TYR A 1 7 ? -4.934 3.830 -1.405 1.00 0.00 ? 7 TYR A CZ 19 ATOM 11798 O OH . TYR A 1 7 ? -5.777 3.202 -0.517 1.00 0.00 ? 7 TYR A OH 19 ATOM 11799 H H . TYR A 1 7 ? -0.156 5.417 -6.473 1.00 0.00 ? 7 TYR A H 19 ATOM 11800 H HA . TYR A 1 7 ? -2.032 3.865 -5.072 1.00 0.00 ? 7 TYR A HA 19 ATOM 11801 H HB2 . TYR A 1 7 ? -1.430 6.112 -3.631 1.00 0.00 ? 7 TYR A HB2 19 ATOM 11802 H HB3 . TYR A 1 7 ? -2.818 6.654 -4.567 1.00 0.00 ? 7 TYR A HB3 19 ATOM 11803 H HD1 . TYR A 1 7 ? -1.900 3.473 -2.818 1.00 0.00 ? 7 TYR A HD1 19 ATOM 11804 H HD2 . TYR A 1 7 ? -4.772 6.566 -3.359 1.00 0.00 ? 7 TYR A HD2 19 ATOM 11805 H HE1 . TYR A 1 7 ? -3.403 2.347 -1.230 1.00 0.00 ? 7 TYR A HE1 19 ATOM 11806 H HE2 . TYR A 1 7 ? -6.283 5.449 -1.771 1.00 0.00 ? 7 TYR A HE2 19 ATOM 11807 H HH . TYR A 1 7 ? -6.013 2.336 -0.858 1.00 0.00 ? 7 TYR A HH 19 ATOM 11808 N N . THR A 1 8 ? -4.004 5.338 -6.398 1.00 0.00 ? 8 THR A N 19 ATOM 11809 C CA . THR A 1 8 ? -4.906 5.645 -7.501 1.00 0.00 ? 8 THR A CA 19 ATOM 11810 C C . THR A 1 8 ? -5.235 7.133 -7.544 1.00 0.00 ? 8 THR A C 19 ATOM 11811 O O . THR A 1 8 ? -6.271 7.535 -8.075 1.00 0.00 ? 8 THR A O 19 ATOM 11812 C CB . THR A 1 8 ? -6.217 4.843 -7.395 1.00 0.00 ? 8 THR A CB 19 ATOM 11813 O OG1 . THR A 1 8 ? -5.941 3.511 -6.949 1.00 0.00 ? 8 THR A OG1 19 ATOM 11814 C CG2 . THR A 1 8 ? -6.933 4.797 -8.736 1.00 0.00 ? 8 THR A CG2 19 ATOM 11815 H H . THR A 1 8 ? -4.373 5.212 -5.499 1.00 0.00 ? 8 THR A H 19 ATOM 11816 H HA . THR A 1 8 ? -4.413 5.369 -8.422 1.00 0.00 ? 8 THR A HA 19 ATOM 11817 H HB . THR A 1 8 ? -6.861 5.329 -6.676 1.00 0.00 ? 8 THR A HB 19 ATOM 11818 H HG1 . THR A 1 8 ? -6.180 3.427 -6.023 1.00 0.00 ? 8 THR A HG1 19 ATOM 11819 H HG21 . THR A 1 8 ? -7.861 5.344 -8.667 1.00 0.00 ? 8 THR A HG21 19 ATOM 11820 H HG22 . THR A 1 8 ? -7.140 3.770 -8.999 1.00 0.00 ? 8 THR A HG22 19 ATOM 11821 H HG23 . THR A 1 8 ? -6.307 5.245 -9.494 1.00 0.00 ? 8 THR A HG23 19 ATOM 11822 N N . LEU A 1 9 ? -4.348 7.947 -6.982 1.00 0.00 ? 9 LEU A N 19 ATOM 11823 C CA . LEU A 1 9 ? -4.544 9.392 -6.957 1.00 0.00 ? 9 LEU A CA 19 ATOM 11824 C C . LEU A 1 9 ? -4.625 9.955 -8.372 1.00 0.00 ? 9 LEU A C 19 ATOM 11825 O O . LEU A 1 9 ? -5.343 10.921 -8.627 1.00 0.00 ? 9 LEU A O 19 ATOM 11826 C CB . LEU A 1 9 ? -3.406 10.068 -6.191 1.00 0.00 ? 9 LEU A CB 19 ATOM 11827 C CG . LEU A 1 9 ? -3.673 10.365 -4.715 1.00 0.00 ? 9 LEU A CG 19 ATOM 11828 C CD1 . LEU A 1 9 ? -3.568 9.093 -3.887 1.00 0.00 ? 9 LEU A CD1 19 ATOM 11829 C CD2 . LEU A 1 9 ? -2.706 11.420 -4.200 1.00 0.00 ? 9 LEU A CD2 19 ATOM 11830 H H . LEU A 1 9 ? -3.542 7.568 -6.575 1.00 0.00 ? 9 LEU A H 19 ATOM 11831 H HA . LEU A 1 9 ? -5.477 9.591 -6.450 1.00 0.00 ? 9 LEU A HA 19 ATOM 11832 H HB2 . LEU A 1 9 ? -2.542 9.424 -6.247 1.00 0.00 ? 9 LEU A HB2 19 ATOM 11833 H HB3 . LEU A 1 9 ? -3.187 11.005 -6.684 1.00 0.00 ? 9 LEU A HB3 19 ATOM 11834 H HG . LEU A 1 9 ? -4.678 10.750 -4.608 1.00 0.00 ? 9 LEU A HG 19 ATOM 11835 H HD11 . LEU A 1 9 ? -4.058 9.241 -2.937 1.00 0.00 ? 9 LEU A HD11 19 ATOM 11836 H HD12 . LEU A 1 9 ? -2.528 8.856 -3.723 1.00 0.00 ? 9 LEU A HD12 19 ATOM 11837 H HD13 . LEU A 1 9 ? -4.044 8.280 -4.416 1.00 0.00 ? 9 LEU A HD13 19 ATOM 11838 H HD21 . LEU A 1 9 ? -3.091 11.845 -3.284 1.00 0.00 ? 9 LEU A HD21 19 ATOM 11839 H HD22 . LEU A 1 9 ? -2.597 12.199 -4.940 1.00 0.00 ? 9 LEU A HD22 19 ATOM 11840 H HD23 . LEU A 1 9 ? -1.745 10.966 -4.011 1.00 0.00 ? 9 LEU A HD23 19 ATOM 11841 N N . ALA A 1 10 ? -3.884 9.343 -9.290 1.00 0.00 ? 10 ALA A N 19 ATOM 11842 C CA . ALA A 1 10 ? -3.875 9.781 -10.681 1.00 0.00 ? 10 ALA A CA 19 ATOM 11843 C C . ALA A 1 10 ? -3.298 11.187 -10.810 1.00 0.00 ? 10 ALA A C 19 ATOM 11844 O O . ALA A 1 10 ? -3.992 12.117 -11.221 1.00 0.00 ? 10 ALA A O 19 ATOM 11845 C CB . ALA A 1 10 ? -5.281 9.730 -11.259 1.00 0.00 ? 10 ALA A CB 19 ATOM 11846 H H . ALA A 1 10 ? -3.332 8.578 -9.027 1.00 0.00 ? 10 ALA A H 19 ATOM 11847 H HA . ALA A 1 10 ? -3.256 9.096 -11.242 1.00 0.00 ? 10 ALA A HA 19 ATOM 11848 H HB1 . ALA A 1 10 ? -5.226 9.553 -12.324 1.00 0.00 ? 10 ALA A HB1 19 ATOM 11849 H HB2 . ALA A 1 10 ? -5.835 8.931 -10.789 1.00 0.00 ? 10 ALA A HB2 19 ATOM 11850 H HB3 . ALA A 1 10 ? -5.780 10.670 -11.077 1.00 0.00 ? 10 ALA A HB3 19 ATOM 11851 N N . MET A 1 11 ? -2.026 11.334 -10.456 1.00 0.00 ? 11 MET A N 19 ATOM 11852 C CA . MET A 1 11 ? -1.356 12.627 -10.534 1.00 0.00 ? 11 MET A CA 19 ATOM 11853 C C . MET A 1 11 ? -1.285 13.117 -11.976 1.00 0.00 ? 11 MET A C 19 ATOM 11854 O O . MET A 1 11 ? -1.902 14.121 -12.333 1.00 0.00 ? 11 MET A O 19 ATOM 11855 C CB . MET A 1 11 ? 0.052 12.532 -9.945 1.00 0.00 ? 11 MET A CB 19 ATOM 11856 C CG . MET A 1 11 ? 0.104 11.818 -8.604 1.00 0.00 ? 11 MET A CG 19 ATOM 11857 S SD . MET A 1 11 ? 0.983 10.246 -8.688 1.00 0.00 ? 11 MET A SD 19 ATOM 11858 C CE . MET A 1 11 ? 0.268 9.383 -7.290 1.00 0.00 ? 11 MET A CE 19 ATOM 11859 H H . MET A 1 11 ? -1.524 10.555 -10.136 1.00 0.00 ? 11 MET A H 19 ATOM 11860 H HA . MET A 1 11 ? -1.932 13.333 -9.954 1.00 0.00 ? 11 MET A HA 19 ATOM 11861 H HB2 . MET A 1 11 ? 0.684 11.998 -10.638 1.00 0.00 ? 11 MET A HB2 19 ATOM 11862 H HB3 . MET A 1 11 ? 0.442 13.531 -9.811 1.00 0.00 ? 11 MET A HB3 19 ATOM 11863 H HG2 . MET A 1 11 ? 0.603 12.455 -7.890 1.00 0.00 ? 11 MET A HG2 19 ATOM 11864 H HG3 . MET A 1 11 ? -0.907 11.633 -8.272 1.00 0.00 ? 11 MET A HG3 19 ATOM 11865 H HE1 . MET A 1 11 ? -0.025 8.389 -7.594 1.00 0.00 ? 11 MET A HE1 19 ATOM 11866 H HE2 . MET A 1 11 ? 0.997 9.317 -6.497 1.00 0.00 ? 11 MET A HE2 19 ATOM 11867 H HE3 . MET A 1 11 ? -0.599 9.923 -6.939 1.00 0.00 ? 11 MET A HE3 19 ATOM 11868 N N . CYS A 1 12 ? -0.529 12.402 -12.803 1.00 0.00 ? 12 CYS A N 19 ATOM 11869 C CA . CYS A 1 12 ? -0.376 12.764 -14.206 1.00 0.00 ? 12 CYS A CA 19 ATOM 11870 C C . CYS A 1 12 ? -1.736 12.957 -14.870 1.00 0.00 ? 12 CYS A C 19 ATOM 11871 O O . CYS A 1 12 ? -2.740 12.400 -14.427 1.00 0.00 ? 12 CYS A O 19 ATOM 11872 C CB . CYS A 1 12 ? 0.417 11.686 -14.949 1.00 0.00 ? 12 CYS A CB 19 ATOM 11873 S SG . CYS A 1 12 ? -0.510 10.145 -15.235 1.00 0.00 ? 12 CYS A SG 19 ATOM 11874 H H . CYS A 1 12 ? -0.061 11.611 -12.459 1.00 0.00 ? 12 CYS A H 19 ATOM 11875 H HA . CYS A 1 12 ? 0.169 13.694 -14.252 1.00 0.00 ? 12 CYS A HA 19 ATOM 11876 H HB2 . CYS A 1 12 ? 0.718 12.071 -15.913 1.00 0.00 ? 12 CYS A HB2 19 ATOM 11877 H HB3 . CYS A 1 12 ? 1.298 11.439 -14.375 1.00 0.00 ? 12 CYS A HB3 19 ATOM 11878 N N . GLY A 1 13 ? -1.761 13.752 -15.936 1.00 0.00 ? 13 GLY A N 19 ATOM 11879 C CA . GLY A 1 13 ? -3.003 14.005 -16.643 1.00 0.00 ? 13 GLY A CA 19 ATOM 11880 C C . GLY A 1 13 ? -3.689 15.273 -16.175 1.00 0.00 ? 13 GLY A C 19 ATOM 11881 O O . GLY A 1 13 ? -4.430 15.901 -16.930 1.00 0.00 ? 13 GLY A O 19 ATOM 11882 H H . GLY A 1 13 ? -0.930 14.170 -16.244 1.00 0.00 ? 13 GLY A H 19 ATOM 11883 H HA2 . GLY A 1 13 ? -2.792 14.091 -17.699 1.00 0.00 ? 13 GLY A HA2 19 ATOM 11884 H HA3 . GLY A 1 13 ? -3.670 13.170 -16.486 1.00 0.00 ? 13 GLY A HA3 19 ATOM 11885 N N . ALA A 1 14 ? -3.444 15.649 -14.924 1.00 0.00 ? 14 ALA A N 19 ATOM 11886 C CA . ALA A 1 14 ? -4.044 16.850 -14.356 1.00 0.00 ? 14 ALA A CA 19 ATOM 11887 C C . ALA A 1 14 ? -3.026 17.982 -14.268 1.00 0.00 ? 14 ALA A C 19 ATOM 11888 O O . ALA A 1 14 ? -3.168 18.895 -13.456 1.00 0.00 ? 14 ALA A O 19 ATOM 11889 C CB . ALA A 1 14 ? -4.623 16.551 -12.981 1.00 0.00 ? 14 ALA A CB 19 ATOM 11890 H H . ALA A 1 14 ? -2.845 15.106 -14.370 1.00 0.00 ? 14 ALA A H 19 ATOM 11891 H HA . ALA A 1 14 ? -4.854 17.156 -15.002 1.00 0.00 ? 14 ALA A HA 19 ATOM 11892 H HB1 . ALA A 1 14 ? -3.864 16.094 -12.363 1.00 0.00 ? 14 ALA A HB1 19 ATOM 11893 H HB2 . ALA A 1 14 ? -4.955 17.470 -12.523 1.00 0.00 ? 14 ALA A HB2 19 ATOM 11894 H HB3 . ALA A 1 14 ? -5.460 15.876 -13.082 1.00 0.00 ? 14 ALA A HB3 19 ATOM 11895 N N . GLY A 1 15 ? -1.999 17.916 -15.110 1.00 0.00 ? 15 GLY A N 19 ATOM 11896 C CA . GLY A 1 15 ? -0.973 18.942 -15.110 1.00 0.00 ? 15 GLY A CA 19 ATOM 11897 C C . GLY A 1 15 ? 0.309 18.480 -14.446 1.00 0.00 ? 15 GLY A C 19 ATOM 11898 O O . GLY A 1 15 ? 1.380 19.032 -14.697 1.00 0.00 ? 15 GLY A O 19 ATOM 11899 H H . GLY A 1 15 ? -1.938 17.164 -15.736 1.00 0.00 ? 15 GLY A H 19 ATOM 11900 H HA2 . GLY A 1 15 ? -0.757 19.219 -16.131 1.00 0.00 ? 15 GLY A HA2 19 ATOM 11901 H HA3 . GLY A 1 15 ? -1.346 19.808 -14.584 1.00 0.00 ? 15 GLY A HA3 19 ATOM 11902 N N . TYR A 1 16 ? 0.199 17.466 -13.595 1.00 0.00 ? 16 TYR A N 19 ATOM 11903 C CA . TYR A 1 16 ? 1.358 16.932 -12.888 1.00 0.00 ? 16 TYR A CA 19 ATOM 11904 C C . TYR A 1 16 ? 2.474 16.574 -13.865 1.00 0.00 ? 16 TYR A C 19 ATOM 11905 O O . TYR A 1 16 ? 3.655 16.630 -13.523 1.00 0.00 ? 16 TYR A O 19 ATOM 11906 C CB . TYR A 1 16 ? 0.963 15.700 -12.074 1.00 0.00 ? 16 TYR A CB 19 ATOM 11907 C CG . TYR A 1 16 ? 0.627 16.008 -10.632 1.00 0.00 ? 16 TYR A CG 19 ATOM 11908 C CD1 . TYR A 1 16 ? -0.647 16.428 -10.269 1.00 0.00 ? 16 TYR A CD1 19 ATOM 11909 C CD2 . TYR A 1 16 ? 1.584 15.879 -9.633 1.00 0.00 ? 16 TYR A CD2 19 ATOM 11910 C CE1 . TYR A 1 16 ? -0.957 16.712 -8.954 1.00 0.00 ? 16 TYR A CE1 19 ATOM 11911 C CE2 . TYR A 1 16 ? 1.282 16.159 -8.314 1.00 0.00 ? 16 TYR A CE2 19 ATOM 11912 C CZ . TYR A 1 16 ? 0.010 16.576 -7.980 1.00 0.00 ? 16 TYR A CZ 19 ATOM 11913 O OH . TYR A 1 16 ? -0.296 16.856 -6.668 1.00 0.00 ? 16 TYR A OH 19 ATOM 11914 H H . TYR A 1 16 ? -0.682 17.067 -13.436 1.00 0.00 ? 16 TYR A H 19 ATOM 11915 H HA . TYR A 1 16 ? 1.717 17.697 -12.215 1.00 0.00 ? 16 TYR A HA 19 ATOM 11916 H HB2 . TYR A 1 16 ? 0.096 15.242 -12.525 1.00 0.00 ? 16 TYR A HB2 19 ATOM 11917 H HB3 . TYR A 1 16 ? 1.781 14.994 -12.081 1.00 0.00 ? 16 TYR A HB3 19 ATOM 11918 H HD1 . TYR A 1 16 ? -1.402 16.533 -11.035 1.00 0.00 ? 16 TYR A HD1 19 ATOM 11919 H HD2 . TYR A 1 16 ? 2.579 15.553 -9.898 1.00 0.00 ? 16 TYR A HD2 19 ATOM 11920 H HE1 . TYR A 1 16 ? -1.953 17.038 -8.692 1.00 0.00 ? 16 TYR A HE1 19 ATOM 11921 H HE2 . TYR A 1 16 ? 2.039 16.053 -7.552 1.00 0.00 ? 16 TYR A HE2 19 ATOM 11922 H HH . TYR A 1 16 ? -1.245 16.966 -6.577 1.00 0.00 ? 16 TYR A HH 19 ATOM 11923 N N . ASP A 1 17 ? 2.090 16.206 -15.083 1.00 0.00 ? 17 ASP A N 19 ATOM 11924 C CA . ASP A 1 17 ? 3.056 15.840 -16.111 1.00 0.00 ? 17 ASP A CA 19 ATOM 11925 C C . ASP A 1 17 ? 2.831 16.652 -17.383 1.00 0.00 ? 17 ASP A C 19 ATOM 11926 O O . ASP A 1 17 ? 1.996 17.556 -17.414 1.00 0.00 ? 17 ASP A O 19 ATOM 11927 C CB . ASP A 1 17 ? 2.961 14.346 -16.422 1.00 0.00 ? 17 ASP A CB 19 ATOM 11928 C CG . ASP A 1 17 ? 3.309 13.482 -15.226 1.00 0.00 ? 17 ASP A CG 19 ATOM 11929 O OD1 . ASP A 1 17 ? 2.673 13.653 -14.164 1.00 0.00 ? 17 ASP A OD1 19 ATOM 11930 O OD2 . ASP A 1 17 ? 4.218 12.635 -15.350 1.00 0.00 ? 17 ASP A OD2 19 ATOM 11931 H H . ASP A 1 17 ? 1.133 16.182 -15.295 1.00 0.00 ? 17 ASP A H 19 ATOM 11932 H HA . ASP A 1 17 ? 4.043 16.057 -15.731 1.00 0.00 ? 17 ASP A HA 19 ATOM 11933 H HB2 . ASP A 1 17 ? 1.952 14.112 -16.729 1.00 0.00 ? 17 ASP A HB2 19 ATOM 11934 H HB3 . ASP A 1 17 ? 3.642 14.107 -17.226 1.00 0.00 ? 17 ASP A HB3 19 ATOM 11935 N N . SER A 1 18 ? 3.581 16.323 -18.430 1.00 0.00 ? 18 SER A N 19 ATOM 11936 C CA . SER A 1 18 ? 3.466 17.025 -19.703 1.00 0.00 ? 18 SER A CA 19 ATOM 11937 C C . SER A 1 18 ? 2.327 16.450 -20.539 1.00 0.00 ? 18 SER A C 19 ATOM 11938 O O . SER A 1 18 ? 2.628 15.475 -21.227 1.00 0.00 ? 18 SER A O 19 ATOM 11939 C CB . SER A 1 18 ? 4.781 16.934 -20.480 1.00 0.00 ? 18 SER A CB 19 ATOM 11940 O OG . SER A 1 18 ? 5.683 17.951 -20.077 1.00 0.00 ? 18 SER A OG 19 ATOM 11941 H H . SER A 1 18 ? 4.229 15.593 -18.343 1.00 0.00 ? 18 SER A H 19 ATOM 11942 H HA . SER A 1 18 ? 3.254 18.063 -19.491 1.00 0.00 ? 18 SER A HA 19 ATOM 11943 H HB2 . SER A 1 18 ? 5.237 15.973 -20.299 1.00 0.00 ? 18 SER A HB2 19 ATOM 11944 H HB3 . SER A 1 18 ? 4.580 17.045 -21.536 1.00 0.00 ? 18 SER A HB3 19 ATOM 11945 N N . GLY A 1 19 ? 1.189 16.494 -19.829 1.00 0.00 ? 19 GLY A N 19 ATOM 11946 C CA . GLY A 1 19 ? 0.238 15.399 -19.871 1.00 0.00 ? 19 GLY A CA 19 ATOM 11947 C C . GLY A 1 19 ? 0.852 14.117 -20.396 1.00 0.00 ? 19 GLY A C 19 ATOM 11948 O O . GLY A 1 19 ? 0.642 13.746 -21.551 1.00 0.00 ? 19 GLY A O 19 ATOM 11949 H H . GLY A 1 19 ? 0.998 17.286 -19.285 1.00 0.00 ? 19 GLY A H 19 ATOM 11950 H HA2 . GLY A 1 19 ? -0.138 15.224 -18.874 1.00 0.00 ? 19 GLY A HA2 19 ATOM 11951 H HA3 . GLY A 1 19 ? -0.587 15.678 -20.511 1.00 0.00 ? 19 GLY A HA3 19 ATOM 11952 N N . THR A 1 20 ? 1.616 13.437 -19.546 1.00 0.00 ? 20 THR A N 19 ATOM 11953 C CA . THR A 1 20 ? 2.265 12.190 -19.931 1.00 0.00 ? 20 THR A CA 19 ATOM 11954 C C . THR A 1 20 ? 2.470 11.281 -18.725 1.00 0.00 ? 20 THR A C 19 ATOM 11955 O O . THR A 1 20 ? 2.853 11.739 -17.648 1.00 0.00 ? 20 THR A O 19 ATOM 11956 C CB . THR A 1 20 ? 3.628 12.450 -20.600 1.00 0.00 ? 20 THR A CB 19 ATOM 11957 O OG1 . THR A 1 20 ? 4.101 11.254 -21.229 1.00 0.00 ? 20 THR A OG1 19 ATOM 11958 C CG2 . THR A 1 20 ? 4.649 12.932 -19.581 1.00 0.00 ? 20 THR A CG2 19 ATOM 11959 H H . THR A 1 20 ? 1.745 13.784 -18.639 1.00 0.00 ? 20 THR A H 19 ATOM 11960 H HA . THR A 1 20 ? 1.627 11.688 -20.644 1.00 0.00 ? 20 THR A HA 19 ATOM 11961 H HB . THR A 1 20 ? 3.502 13.217 -21.352 1.00 0.00 ? 20 THR A HB 19 ATOM 11962 H HG1 . THR A 1 20 ? 3.363 10.789 -21.629 1.00 0.00 ? 20 THR A HG1 19 ATOM 11963 H HG21 . THR A 1 20 ? 4.276 13.818 -19.089 1.00 0.00 ? 20 THR A HG21 19 ATOM 11964 H HG22 . THR A 1 20 ? 5.577 13.162 -20.081 1.00 0.00 ? 20 THR A HG22 19 ATOM 11965 H HG23 . THR A 1 20 ? 4.818 12.157 -18.847 1.00 0.00 ? 20 THR A HG23 19 ATOM 11966 N N . CYS A 1 21 ? 2.213 9.991 -18.912 1.00 0.00 ? 21 CYS A N 19 ATOM 11967 C CA . CYS A 1 21 ? 2.369 9.017 -17.839 1.00 0.00 ? 21 CYS A CA 19 ATOM 11968 C C . CYS A 1 21 ? 3.272 7.867 -18.275 1.00 0.00 ? 21 CYS A C 19 ATOM 11969 O O . CYS A 1 21 ? 3.820 7.878 -19.378 1.00 0.00 ? 21 CYS A O 19 ATOM 11970 C CB . CYS A 1 21 ? 1.003 8.473 -17.412 1.00 0.00 ? 21 CYS A CB 19 ATOM 11971 S SG . CYS A 1 21 ? -0.264 9.758 -17.165 1.00 0.00 ? 21 CYS A SG 19 ATOM 11972 H H . CYS A 1 21 ? 1.910 9.686 -19.793 1.00 0.00 ? 21 CYS A H 19 ATOM 11973 H HA . CYS A 1 21 ? 2.825 9.518 -16.999 1.00 0.00 ? 21 CYS A HA 19 ATOM 11974 H HB2 . CYS A 1 21 ? 0.640 7.797 -18.173 1.00 0.00 ? 21 CYS A HB2 19 ATOM 11975 H HB3 . CYS A 1 21 ? 1.113 7.935 -16.482 1.00 0.00 ? 21 CYS A HB3 19 ATOM 11976 N N . ASP A 1 22 ? 3.423 6.876 -17.403 1.00 0.00 ? 22 ASP A N 19 ATOM 11977 C CA . ASP A 1 22 ? 4.258 5.718 -17.698 1.00 0.00 ? 22 ASP A CA 19 ATOM 11978 C C . ASP A 1 22 ? 3.812 4.505 -16.888 1.00 0.00 ? 22 ASP A C 19 ATOM 11979 O O . ASP A 1 22 ? 3.163 3.600 -17.413 1.00 0.00 ? 22 ASP A O 19 ATOM 11980 C CB . ASP A 1 22 ? 5.726 6.033 -17.402 1.00 0.00 ? 22 ASP A CB 19 ATOM 11981 C CG . ASP A 1 22 ? 6.548 6.199 -18.664 1.00 0.00 ? 22 ASP A CG 19 ATOM 11982 O OD1 . ASP A 1 22 ? 6.880 5.174 -19.296 1.00 0.00 ? 22 ASP A OD1 19 ATOM 11983 O OD2 . ASP A 1 22 ? 6.860 7.354 -19.021 1.00 0.00 ? 22 ASP A OD2 19 ATOM 11984 H H . ASP A 1 22 ? 2.960 6.925 -16.540 1.00 0.00 ? 22 ASP A H 19 ATOM 11985 H HA . ASP A 1 22 ? 4.153 5.492 -18.748 1.00 0.00 ? 22 ASP A HA 19 ATOM 11986 H HB2 . ASP A 1 22 ? 5.783 6.950 -16.834 1.00 0.00 ? 22 ASP A HB2 19 ATOM 11987 H HB3 . ASP A 1 22 ? 6.150 5.227 -16.821 1.00 0.00 ? 22 ASP A HB3 19 ATOM 11988 N N . TYR A 1 23 ? 4.164 4.494 -15.607 1.00 0.00 ? 23 TYR A N 19 ATOM 11989 C CA . TYR A 1 23 ? 3.803 3.390 -14.725 1.00 0.00 ? 23 TYR A CA 19 ATOM 11990 C C . TYR A 1 23 ? 2.290 3.308 -14.547 1.00 0.00 ? 23 TYR A C 19 ATOM 11991 O O . TYR A 1 23 ? 1.744 2.243 -14.260 1.00 0.00 ? 23 TYR A O 19 ATOM 11992 C CB . TYR A 1 23 ? 4.480 3.556 -13.363 1.00 0.00 ? 23 TYR A CB 19 ATOM 11993 C CG . TYR A 1 23 ? 5.934 3.959 -13.455 1.00 0.00 ? 23 TYR A CG 19 ATOM 11994 C CD1 . TYR A 1 23 ? 6.842 3.197 -14.180 1.00 0.00 ? 23 TYR A CD1 19 ATOM 11995 C CD2 . TYR A 1 23 ? 6.400 5.101 -12.815 1.00 0.00 ? 23 TYR A CD2 19 ATOM 11996 C CE1 . TYR A 1 23 ? 8.172 3.561 -14.266 1.00 0.00 ? 23 TYR A CE1 19 ATOM 11997 C CE2 . TYR A 1 23 ? 7.728 5.473 -12.897 1.00 0.00 ? 23 TYR A CE2 19 ATOM 11998 C CZ . TYR A 1 23 ? 8.610 4.700 -13.623 1.00 0.00 ? 23 TYR A CZ 19 ATOM 11999 O OH . TYR A 1 23 ? 9.934 5.067 -13.706 1.00 0.00 ? 23 TYR A OH 19 ATOM 12000 H H . TYR A 1 23 ? 4.681 5.244 -15.246 1.00 0.00 ? 23 TYR A H 19 ATOM 12001 H HA . TYR A 1 23 ? 4.151 2.474 -15.180 1.00 0.00 ? 23 TYR A HA 19 ATOM 12002 H HB2 . TYR A 1 23 ? 3.960 4.316 -12.801 1.00 0.00 ? 23 TYR A HB2 19 ATOM 12003 H HB3 . TYR A 1 23 ? 4.428 2.619 -12.827 1.00 0.00 ? 23 TYR A HB3 19 ATOM 12004 H HD1 . TYR A 1 23 ? 6.496 2.306 -14.683 1.00 0.00 ? 23 TYR A HD1 19 ATOM 12005 H HD2 . TYR A 1 23 ? 5.707 5.704 -12.247 1.00 0.00 ? 23 TYR A HD2 19 ATOM 12006 H HE1 . TYR A 1 23 ? 8.863 2.956 -14.835 1.00 0.00 ? 23 TYR A HE1 19 ATOM 12007 H HE2 . TYR A 1 23 ? 8.072 6.365 -12.393 1.00 0.00 ? 23 TYR A HE2 19 ATOM 12008 H HH . TYR A 1 23 ? 10.201 5.488 -12.885 1.00 0.00 ? 23 TYR A HH 19 ATOM 12009 N N . MET A 1 24 ? 1.618 4.442 -14.720 1.00 0.00 ? 24 MET A N 19 ATOM 12010 C CA . MET A 1 24 ? 0.167 4.499 -14.581 1.00 0.00 ? 24 MET A CA 19 ATOM 12011 C C . MET A 1 24 ? -0.515 3.632 -15.634 1.00 0.00 ? 24 MET A C 19 ATOM 12012 O O . MET A 1 24 ? -1.453 2.894 -15.332 1.00 0.00 ? 24 MET A O 19 ATOM 12013 C CB . MET A 1 24 ? -0.321 5.944 -14.698 1.00 0.00 ? 24 MET A CB 19 ATOM 12014 C CG . MET A 1 24 ? 0.065 6.814 -13.513 1.00 0.00 ? 24 MET A CG 19 ATOM 12015 S SD . MET A 1 24 ? 1.635 7.666 -13.759 1.00 0.00 ? 24 MET A SD 19 ATOM 12016 C CE . MET A 1 24 ? 2.738 6.625 -12.806 1.00 0.00 ? 24 MET A CE 19 ATOM 12017 H H . MET A 1 24 ? 2.108 5.259 -14.948 1.00 0.00 ? 24 MET A H 19 ATOM 12018 H HA . MET A 1 24 ? -0.086 4.121 -13.602 1.00 0.00 ? 24 MET A HA 19 ATOM 12019 H HB2 . MET A 1 24 ? 0.099 6.382 -15.591 1.00 0.00 ? 24 MET A HB2 19 ATOM 12020 H HB3 . MET A 1 24 ? -1.398 5.942 -14.780 1.00 0.00 ? 24 MET A HB3 19 ATOM 12021 H HG2 . MET A 1 24 ? -0.708 7.552 -13.358 1.00 0.00 ? 24 MET A HG2 19 ATOM 12022 H HG3 . MET A 1 24 ? 0.143 6.189 -12.636 1.00 0.00 ? 24 MET A HG3 19 ATOM 12023 H HE1 . MET A 1 24 ? 3.200 7.211 -12.024 1.00 0.00 ? 24 MET A HE1 19 ATOM 12024 H HE2 . MET A 1 24 ? 2.176 5.815 -12.364 1.00 0.00 ? 24 MET A HE2 19 ATOM 12025 H HE3 . MET A 1 24 ? 3.502 6.222 -13.454 1.00 0.00 ? 24 MET A HE3 19 ATOM 12026 N N . TYR A 1 25 ? -0.038 3.726 -16.870 1.00 0.00 ? 25 TYR A N 19 ATOM 12027 C CA . TYR A 1 25 ? -0.603 2.953 -17.969 1.00 0.00 ? 25 TYR A CA 19 ATOM 12028 C C . TYR A 1 25 ? -0.323 1.464 -17.789 1.00 0.00 ? 25 TYR A C 19 ATOM 12029 O O . TYR A 1 25 ? -0.864 0.627 -18.511 1.00 0.00 ? 25 TYR A O 19 ATOM 12030 C CB . TYR A 1 25 ? -0.033 3.432 -19.305 1.00 0.00 ? 25 TYR A CB 19 ATOM 12031 C CG . TYR A 1 25 ? -0.697 4.684 -19.833 1.00 0.00 ? 25 TYR A CG 19 ATOM 12032 C CD1 . TYR A 1 25 ? -0.807 5.822 -19.042 1.00 0.00 ? 25 TYR A CD1 19 ATOM 12033 C CD2 . TYR A 1 25 ? -1.216 4.729 -21.120 1.00 0.00 ? 25 TYR A CD2 19 ATOM 12034 C CE1 . TYR A 1 25 ? -1.413 6.968 -19.519 1.00 0.00 ? 25 TYR A CE1 19 ATOM 12035 C CE2 . TYR A 1 25 ? -1.823 5.871 -21.606 1.00 0.00 ? 25 TYR A CE2 19 ATOM 12036 C CZ . TYR A 1 25 ? -1.919 6.987 -20.802 1.00 0.00 ? 25 TYR A CZ 19 ATOM 12037 O OH . TYR A 1 25 ? -2.524 8.126 -21.282 1.00 0.00 ? 25 TYR A OH 19 ATOM 12038 H H . TYR A 1 25 ? 0.712 4.332 -17.049 1.00 0.00 ? 25 TYR A H 19 ATOM 12039 H HA . TYR A 1 25 ? -1.672 3.109 -17.969 1.00 0.00 ? 25 TYR A HA 19 ATOM 12040 H HB2 . TYR A 1 25 ? 1.019 3.641 -19.186 1.00 0.00 ? 25 TYR A HB2 19 ATOM 12041 H HB3 . TYR A 1 25 ? -0.159 2.653 -20.043 1.00 0.00 ? 25 TYR A HB3 19 ATOM 12042 H HD1 . TYR A 1 25 ? -0.409 5.803 -18.038 1.00 0.00 ? 25 TYR A HD1 19 ATOM 12043 H HD2 . TYR A 1 25 ? -1.140 3.853 -21.748 1.00 0.00 ? 25 TYR A HD2 19 ATOM 12044 H HE1 . TYR A 1 25 ? -1.489 7.842 -18.890 1.00 0.00 ? 25 TYR A HE1 19 ATOM 12045 H HE2 . TYR A 1 25 ? -2.220 5.887 -22.611 1.00 0.00 ? 25 TYR A HE2 19 ATOM 12046 H HH . TYR A 1 25 ? -3.457 7.954 -21.434 1.00 0.00 ? 25 TYR A HH 19 ATOM 12047 N N . SER A 1 26 ? 0.527 1.142 -16.819 1.00 0.00 ? 26 SER A N 19 ATOM 12048 C CA . SER A 1 26 ? 0.884 -0.244 -16.544 1.00 0.00 ? 26 SER A CA 19 ATOM 12049 C C . SER A 1 26 ? -0.127 -0.888 -15.599 1.00 0.00 ? 26 SER A C 19 ATOM 12050 O O . SER A 1 26 ? 0.224 -1.742 -14.784 1.00 0.00 ? 26 SER A O 19 ATOM 12051 C CB . SER A 1 26 ? 2.286 -0.322 -15.937 1.00 0.00 ? 26 SER A CB 19 ATOM 12052 O OG . SER A 1 26 ? 2.897 -1.569 -16.222 1.00 0.00 ? 26 SER A OG 19 ATOM 12053 H H . SER A 1 26 ? 0.926 1.856 -16.277 1.00 0.00 ? 26 SER A H 19 ATOM 12054 H HA . SER A 1 26 ? 0.876 -0.781 -17.481 1.00 0.00 ? 26 SER A HA 19 ATOM 12055 H HB2 . SER A 1 26 ? 2.898 0.467 -16.349 1.00 0.00 ? 26 SER A HB2 19 ATOM 12056 H HB3 . SER A 1 26 ? 2.219 -0.204 -14.865 1.00 0.00 ? 26 SER A HB3 19 ATOM 12057 H HG . SER A 1 26 ? 3.659 -1.690 -15.651 1.00 0.00 ? 26 SER A HG 19 ATOM 12058 N N . HIS A 1 27 ? -1.384 -0.472 -15.715 1.00 0.00 ? 27 HIS A N 19 ATOM 12059 C CA . HIS A 1 27 ? -2.448 -1.008 -14.873 1.00 0.00 ? 27 HIS A CA 19 ATOM 12060 C C . HIS A 1 27 ? -2.096 -0.862 -13.396 1.00 0.00 ? 27 HIS A C 19 ATOM 12061 O O . HIS A 1 27 ? -2.220 -1.811 -12.621 1.00 0.00 ? 27 HIS A O 19 ATOM 12062 C CB . HIS A 1 27 ? -2.700 -2.478 -15.207 1.00 0.00 ? 27 HIS A CB 19 ATOM 12063 C CG . HIS A 1 27 ? -4.089 -2.936 -14.886 1.00 0.00 ? 27 HIS A CG 19 ATOM 12064 N ND1 . HIS A 1 27 ? -4.413 -3.597 -13.720 1.00 0.00 ? 27 HIS A ND1 19 ATOM 12065 C CD2 . HIS A 1 27 ? -5.242 -2.823 -15.585 1.00 0.00 ? 27 HIS A CD2 19 ATOM 12066 C CE1 . HIS A 1 27 ? -5.705 -3.872 -13.717 1.00 0.00 ? 27 HIS A CE1 19 ATOM 12067 N NE2 . HIS A 1 27 ? -6.232 -3.412 -14.838 1.00 0.00 ? 27 HIS A NE2 19 ATOM 12068 H H . HIS A 1 27 ? -1.601 0.211 -16.384 1.00 0.00 ? 27 HIS A H 19 ATOM 12069 H HA . HIS A 1 27 ? -3.345 -0.443 -15.074 1.00 0.00 ? 27 HIS A HA 19 ATOM 12070 H HB2 . HIS A 1 27 ? -2.535 -2.634 -16.263 1.00 0.00 ? 27 HIS A HB2 19 ATOM 12071 H HB3 . HIS A 1 27 ? -2.009 -3.092 -14.645 1.00 0.00 ? 27 HIS A HB3 19 ATOM 12072 H HD1 . HIS A 1 27 ? -3.789 -3.831 -13.002 1.00 0.00 ? 27 HIS A HD1 19 ATOM 12073 H HD2 . HIS A 1 27 ? -5.363 -2.356 -16.553 1.00 0.00 ? 27 HIS A HD2 19 ATOM 12074 H HE1 . HIS A 1 27 ? -6.241 -4.385 -12.932 1.00 0.00 ? 27 HIS A HE1 19 ATOM 12075 N N . CYS A 1 28 ? -1.656 0.332 -13.012 1.00 0.00 ? 28 CYS A N 19 ATOM 12076 C CA . CYS A 1 28 ? -1.285 0.602 -11.628 1.00 0.00 ? 28 CYS A CA 19 ATOM 12077 C C . CYS A 1 28 ? -2.206 1.652 -11.013 1.00 0.00 ? 28 CYS A C 19 ATOM 12078 O O . CYS A 1 28 ? -2.304 1.768 -9.791 1.00 0.00 ? 28 CYS A O 19 ATOM 12079 C CB . CYS A 1 28 ? 0.169 1.075 -11.551 1.00 0.00 ? 28 CYS A CB 19 ATOM 12080 S SG . CYS A 1 28 ? 1.059 0.501 -10.069 1.00 0.00 ? 28 CYS A SG 19 ATOM 12081 H H . CYS A 1 28 ? -1.578 1.049 -13.676 1.00 0.00 ? 28 CYS A H 19 ATOM 12082 H HA . CYS A 1 28 ? -1.385 -0.317 -11.072 1.00 0.00 ? 28 CYS A HA 19 ATOM 12083 H HB2 . CYS A 1 28 ? 0.704 0.711 -12.416 1.00 0.00 ? 28 CYS A HB2 19 ATOM 12084 H HB3 . CYS A 1 28 ? 0.188 2.154 -11.550 1.00 0.00 ? 28 CYS A HB3 19 ATOM 12085 N N . PHE A 1 29 ? -2.879 2.414 -11.868 1.00 0.00 ? 29 PHE A N 19 ATOM 12086 C CA . PHE A 1 29 ? -3.792 3.455 -11.410 1.00 0.00 ? 29 PHE A CA 19 ATOM 12087 C C . PHE A 1 29 ? -5.213 3.184 -11.896 1.00 0.00 ? 29 PHE A C 19 ATOM 12088 O O . PHE A 1 29 ? -6.186 3.587 -11.259 1.00 0.00 ? 29 PHE A O 19 ATOM 12089 C CB . PHE A 1 29 ? -3.325 4.826 -11.902 1.00 0.00 ? 29 PHE A CB 19 ATOM 12090 C CG . PHE A 1 29 ? -2.209 5.409 -11.083 1.00 0.00 ? 29 PHE A CG 19 ATOM 12091 C CD1 . PHE A 1 29 ? -1.026 4.710 -10.902 1.00 0.00 ? 29 PHE A CD1 19 ATOM 12092 C CD2 . PHE A 1 29 ? -2.343 6.656 -10.493 1.00 0.00 ? 29 PHE A CD2 19 ATOM 12093 C CE1 . PHE A 1 29 ? 0.002 5.244 -10.149 1.00 0.00 ? 29 PHE A CE1 19 ATOM 12094 C CE2 . PHE A 1 29 ? -1.318 7.195 -9.740 1.00 0.00 ? 29 PHE A CE2 19 ATOM 12095 C CZ . PHE A 1 29 ? -0.144 6.488 -9.566 1.00 0.00 ? 29 PHE A CZ 19 ATOM 12096 H H . PHE A 1 29 ? -2.759 2.274 -12.831 1.00 0.00 ? 29 PHE A H 19 ATOM 12097 H HA . PHE A 1 29 ? -3.786 3.448 -10.331 1.00 0.00 ? 29 PHE A HA 19 ATOM 12098 H HB2 . PHE A 1 29 ? -2.976 4.735 -12.920 1.00 0.00 ? 29 PHE A HB2 19 ATOM 12099 H HB3 . PHE A 1 29 ? -4.156 5.514 -11.871 1.00 0.00 ? 29 PHE A HB3 19 ATOM 12100 H HD1 . PHE A 1 29 ? -0.911 3.737 -11.357 1.00 0.00 ? 29 PHE A HD1 19 ATOM 12101 H HD2 . PHE A 1 29 ? -3.261 7.209 -10.627 1.00 0.00 ? 29 PHE A HD2 19 ATOM 12102 H HE1 . PHE A 1 29 ? 0.919 4.688 -10.016 1.00 0.00 ? 29 PHE A HE1 19 ATOM 12103 H HE2 . PHE A 1 29 ? -1.435 8.167 -9.285 1.00 0.00 ? 29 PHE A HE2 19 ATOM 12104 H HZ . PHE A 1 29 ? 0.659 6.907 -8.978 1.00 0.00 ? 29 PHE A HZ 19 ATOM 12105 N N . GLY A 1 30 ? -5.324 2.499 -13.030 1.00 0.00 ? 30 GLY A N 19 ATOM 12106 C CA . GLY A 1 30 ? -6.629 2.187 -13.583 1.00 0.00 ? 30 GLY A CA 19 ATOM 12107 C C . GLY A 1 30 ? -7.237 3.358 -14.330 1.00 0.00 ? 30 GLY A C 19 ATOM 12108 O O . GLY A 1 30 ? -8.459 3.497 -14.392 1.00 0.00 ? 30 GLY A O 19 ATOM 12109 H H . GLY A 1 30 ? -4.514 2.204 -13.495 1.00 0.00 ? 30 GLY A H 19 ATOM 12110 H HA2 . GLY A 1 30 ? -6.530 1.353 -14.261 1.00 0.00 ? 30 GLY A HA2 19 ATOM 12111 H HA3 . GLY A 1 30 ? -7.291 1.907 -12.777 1.00 0.00 ? 30 GLY A HA3 19 ATOM 12112 N N . VAL A 1 31 ? -6.383 4.203 -14.898 1.00 0.00 ? 31 VAL A N 19 ATOM 12113 C CA . VAL A 1 31 ? -6.843 5.369 -15.644 1.00 0.00 ? 31 VAL A CA 19 ATOM 12114 C C . VAL A 1 31 ? -6.985 5.050 -17.128 1.00 0.00 ? 31 VAL A C 19 ATOM 12115 O O . VAL A 1 31 ? -7.825 5.624 -17.821 1.00 0.00 ? 31 VAL A O 19 ATOM 12116 C CB . VAL A 1 31 ? -5.881 6.559 -15.475 1.00 0.00 ? 31 VAL A CB 19 ATOM 12117 C CG1 . VAL A 1 31 ? -5.915 7.075 -14.044 1.00 0.00 ? 31 VAL A CG1 19 ATOM 12118 C CG2 . VAL A 1 31 ? -4.468 6.162 -15.874 1.00 0.00 ? 31 VAL A CG2 19 ATOM 12119 H H . VAL A 1 31 ? -5.421 4.039 -14.814 1.00 0.00 ? 31 VAL A H 19 ATOM 12120 H HA . VAL A 1 31 ? -7.809 5.655 -15.254 1.00 0.00 ? 31 VAL A HA 19 ATOM 12121 H HB . VAL A 1 31 ? -6.207 7.355 -16.129 1.00 0.00 ? 31 VAL A HB 19 ATOM 12122 H HG11 . VAL A 1 31 ? -6.152 6.261 -13.375 1.00 0.00 ? 31 VAL A HG11 19 ATOM 12123 H HG12 . VAL A 1 31 ? -4.950 7.486 -13.786 1.00 0.00 ? 31 VAL A HG12 19 ATOM 12124 H HG13 . VAL A 1 31 ? -6.669 7.843 -13.957 1.00 0.00 ? 31 VAL A HG13 19 ATOM 12125 H HG21 . VAL A 1 31 ? -3.827 7.031 -15.846 1.00 0.00 ? 31 VAL A HG21 19 ATOM 12126 H HG22 . VAL A 1 31 ? -4.096 5.418 -15.185 1.00 0.00 ? 31 VAL A HG22 19 ATOM 12127 H HG23 . VAL A 1 31 ? -4.477 5.754 -16.874 1.00 0.00 ? 31 VAL A HG23 19 ATOM 12128 N N . LYS A 1 32 ? -6.157 4.130 -17.612 1.00 0.00 ? 32 LYS A N 19 ATOM 12129 C CA . LYS A 1 32 ? -6.189 3.732 -19.014 1.00 0.00 ? 32 LYS A CA 19 ATOM 12130 C C . LYS A 1 32 ? -7.577 3.237 -19.407 1.00 0.00 ? 32 LYS A C 19 ATOM 12131 O O . LYS A 1 32 ? -8.230 2.521 -18.647 1.00 0.00 ? 32 LYS A O 19 ATOM 12132 C CB . LYS A 1 32 ? -5.151 2.639 -19.279 1.00 0.00 ? 32 LYS A CB 19 ATOM 12133 C CG . LYS A 1 32 ? -4.550 2.697 -20.673 1.00 0.00 ? 32 LYS A CG 19 ATOM 12134 C CD . LYS A 1 32 ? -4.201 1.310 -21.187 1.00 0.00 ? 32 LYS A CD 19 ATOM 12135 C CE . LYS A 1 32 ? -2.978 0.746 -20.482 1.00 0.00 ? 32 LYS A CE 19 ATOM 12136 N NZ . LYS A 1 32 ? -2.511 -0.522 -21.109 1.00 0.00 ? 32 LYS A NZ 19 ATOM 12137 H H . LYS A 1 32 ? -5.508 3.708 -17.010 1.00 0.00 ? 32 LYS A H 19 ATOM 12138 H HA . LYS A 1 32 ? -5.947 4.599 -19.610 1.00 0.00 ? 32 LYS A HA 19 ATOM 12139 H HB2 . LYS A 1 32 ? -4.351 2.737 -18.560 1.00 0.00 ? 32 LYS A HB2 19 ATOM 12140 H HB3 . LYS A 1 32 ? -5.622 1.675 -19.153 1.00 0.00 ? 32 LYS A HB3 19 ATOM 12141 H HG2 . LYS A 1 32 ? -5.264 3.149 -21.345 1.00 0.00 ? 32 LYS A HG2 19 ATOM 12142 H HG3 . LYS A 1 32 ? -3.651 3.297 -20.643 1.00 0.00 ? 32 LYS A HG3 19 ATOM 12143 H HD2 . LYS A 1 32 ? -5.038 0.650 -21.015 1.00 0.00 ? 32 LYS A HD2 19 ATOM 12144 H HD3 . LYS A 1 32 ? -3.999 1.370 -22.248 1.00 0.00 ? 32 LYS A HD3 19 ATOM 12145 H HE2 . LYS A 1 32 ? -2.183 1.474 -20.529 1.00 0.00 ? 32 LYS A HE2 19 ATOM 12146 H HE3 . LYS A 1 32 ? -3.230 0.555 -19.449 1.00 0.00 ? 32 LYS A HE3 19 ATOM 12147 H HZ1 . LYS A 1 32 ? -3.243 -0.896 -21.745 1.00 0.00 ? 32 LYS A HZ1 19 ATOM 12148 H HZ2 . LYS A 1 32 ? -2.309 -1.230 -20.375 1.00 0.00 ? 32 LYS A HZ2 19 ATOM 12149 H HZ3 . LYS A 1 32 ? -1.644 -0.351 -21.657 1.00 0.00 ? 32 LYS A HZ3 19 ATOM 12150 N N . HIS A 1 33 ? -8.022 3.620 -20.599 1.00 0.00 ? 33 HIS A N 19 ATOM 12151 C CA . HIS A 1 33 ? -9.332 3.213 -21.094 1.00 0.00 ? 33 HIS A CA 19 ATOM 12152 C C . HIS A 1 33 ? -9.238 1.897 -21.861 1.00 0.00 ? 33 HIS A C 19 ATOM 12153 O O . HIS A 1 33 ? -8.173 1.284 -21.933 1.00 0.00 ? 33 HIS A O 19 ATOM 12154 C CB . HIS A 1 33 ? -9.922 4.299 -21.993 1.00 0.00 ? 33 HIS A CB 19 ATOM 12155 C CG . HIS A 1 33 ? -10.332 5.534 -21.250 1.00 0.00 ? 33 HIS A CG 19 ATOM 12156 N ND1 . HIS A 1 33 ? -10.036 6.808 -21.688 1.00 0.00 ? 33 HIS A ND1 19 ATOM 12157 C CD2 . HIS A 1 33 ? -11.019 5.685 -20.094 1.00 0.00 ? 33 HIS A CD2 19 ATOM 12158 C CE1 . HIS A 1 33 ? -10.523 7.689 -20.832 1.00 0.00 ? 33 HIS A CE1 19 ATOM 12159 N NE2 . HIS A 1 33 ? -11.125 7.033 -19.856 1.00 0.00 ? 33 HIS A NE2 19 ATOM 12160 H H . HIS A 1 33 ? -7.456 4.191 -21.160 1.00 0.00 ? 33 HIS A H 19 ATOM 12161 H HA . HIS A 1 33 ? -9.979 3.072 -20.242 1.00 0.00 ? 33 HIS A HA 19 ATOM 12162 H HB2 . HIS A 1 33 ? -9.187 4.585 -22.731 1.00 0.00 ? 33 HIS A HB2 19 ATOM 12163 H HB3 . HIS A 1 33 ? -10.795 3.908 -22.495 1.00 0.00 ? 33 HIS A HB3 19 ATOM 12164 H HD1 . HIS A 1 33 ? -9.542 7.033 -22.503 1.00 0.00 ? 33 HIS A HD1 19 ATOM 12165 H HD2 . HIS A 1 33 ? -11.412 4.892 -19.473 1.00 0.00 ? 33 HIS A HD2 19 ATOM 12166 H HE1 . HIS A 1 33 ? -10.443 8.762 -20.915 1.00 0.00 ? 33 HIS A HE1 19 ATOM 12167 N N . SER A 1 34 ? -10.359 1.469 -22.432 1.00 0.00 ? 34 SER A N 19 ATOM 12168 C CA . SER A 1 34 ? -10.404 0.224 -23.189 1.00 0.00 ? 34 SER A CA 19 ATOM 12169 C C . SER A 1 34 ? -9.509 0.305 -24.422 1.00 0.00 ? 34 SER A C 19 ATOM 12170 O O . SER A 1 34 ? -9.480 1.322 -25.116 1.00 0.00 ? 34 SER A O 19 ATOM 12171 C CB . SER A 1 34 ? -11.841 -0.091 -23.608 1.00 0.00 ? 34 SER A CB 19 ATOM 12172 O OG . SER A 1 34 ? -12.661 -0.332 -22.478 1.00 0.00 ? 34 SER A OG 19 ATOM 12173 H H . SER A 1 34 ? -11.177 2.002 -22.339 1.00 0.00 ? 34 SER A H 19 ATOM 12174 H HA . SER A 1 34 ? -10.043 -0.567 -22.549 1.00 0.00 ? 34 SER A HA 19 ATOM 12175 H HB2 . SER A 1 34 ? -12.244 0.745 -24.159 1.00 0.00 ? 34 SER A HB2 19 ATOM 12176 H HB3 . SER A 1 34 ? -11.846 -0.971 -24.235 1.00 0.00 ? 34 SER A HB3 19 ATOM 12177 H HG . SER A 1 34 ? -12.798 -1.276 -22.376 1.00 0.00 ? 34 SER A HG 19 ATOM 12178 N N . SER A 1 35 ? -8.779 -0.773 -24.688 1.00 0.00 ? 35 SER A N 19 ATOM 12179 C CA . SER A 1 35 ? -7.880 -0.824 -25.835 1.00 0.00 ? 35 SER A CA 19 ATOM 12180 C C . SER A 1 35 ? -8.643 -1.167 -27.110 1.00 0.00 ? 35 SER A C 19 ATOM 12181 O O . SER A 1 35 ? -8.767 -2.335 -27.477 1.00 0.00 ? 35 SER A O 19 ATOM 12182 C CB . SER A 1 35 ? -6.773 -1.853 -25.597 1.00 0.00 ? 35 SER A CB 19 ATOM 12183 O OG . SER A 1 35 ? -7.311 -3.086 -25.150 1.00 0.00 ? 35 SER A OG 19 ATOM 12184 H H . SER A 1 35 ? -8.846 -1.553 -24.097 1.00 0.00 ? 35 SER A H 19 ATOM 12185 H HA . SER A 1 35 ? -7.433 0.153 -25.949 1.00 0.00 ? 35 SER A HA 19 ATOM 12186 H HB2 . SER A 1 35 ? -6.237 -2.021 -26.518 1.00 0.00 ? 35 SER A HB2 19 ATOM 12187 H HB3 . SER A 1 35 ? -6.092 -1.478 -24.846 1.00 0.00 ? 35 SER A HB3 19 ATOM 12188 H HG . SER A 1 35 ? -6.723 -3.475 -24.498 1.00 0.00 ? 35 SER A HG 19 ATOM 12189 N N . GLY A 1 36 ? -9.155 -0.139 -27.781 1.00 0.00 ? 36 GLY A N 19 ATOM 12190 C CA . GLY A 1 36 ? -9.900 -0.352 -29.008 1.00 0.00 ? 36 GLY A CA 19 ATOM 12191 C C . GLY A 1 36 ? -9.151 0.133 -30.233 1.00 0.00 ? 36 GLY A C 19 ATOM 12192 O O . GLY A 1 36 ? -9.214 1.312 -30.582 1.00 0.00 ? 36 GLY A O 19 ATOM 12193 H H . GLY A 1 36 ? -9.024 0.770 -27.441 1.00 0.00 ? 36 GLY A H 19 ATOM 12194 H HA2 . GLY A 1 36 ? -10.101 -1.407 -29.116 1.00 0.00 ? 36 GLY A HA2 19 ATOM 12195 H HA3 . GLY A 1 36 ? -10.839 0.178 -28.941 1.00 0.00 ? 36 GLY A HA3 19 ATOM 12196 N N . GLY A 1 37 ? -8.438 -0.778 -30.889 1.00 0.00 ? 37 GLY A N 19 ATOM 12197 C CA . GLY A 1 37 ? -7.682 -0.416 -32.074 1.00 0.00 ? 37 GLY A CA 19 ATOM 12198 C C . GLY A 1 37 ? -6.185 -0.447 -31.838 1.00 0.00 ? 37 GLY A C 19 ATOM 12199 O O . GLY A 1 37 ? -5.726 -0.337 -30.702 1.00 0.00 ? 37 GLY A O 19 ATOM 12200 H H . GLY A 1 37 ? -8.425 -1.703 -30.564 1.00 0.00 ? 37 GLY A H 19 ATOM 12201 H HA2 . GLY A 1 37 ? -7.926 -1.107 -32.867 1.00 0.00 ? 37 GLY A HA2 19 ATOM 12202 H HA3 . GLY A 1 37 ? -7.967 0.580 -32.378 1.00 0.00 ? 37 GLY A HA3 19 ATOM 12203 N N . GLY A 1 38 ? -5.421 -0.598 -32.916 1.00 0.00 ? 38 GLY A N 19 ATOM 12204 C CA . GLY A 1 38 ? -3.975 -0.642 -32.800 1.00 0.00 ? 38 GLY A CA 19 ATOM 12205 C C . GLY A 1 38 ? -3.347 -1.639 -33.753 1.00 0.00 ? 38 GLY A C 19 ATOM 12206 O O . GLY A 1 38 ? -4.034 -2.229 -34.586 1.00 0.00 ? 38 GLY A O 19 ATOM 12207 H H . GLY A 1 38 ? -5.843 -0.680 -33.797 1.00 0.00 ? 38 GLY A H 19 ATOM 12208 H HA2 . GLY A 1 38 ? -3.578 0.340 -33.009 1.00 0.00 ? 38 GLY A HA2 19 ATOM 12209 H HA3 . GLY A 1 38 ? -3.715 -0.916 -31.788 1.00 0.00 ? 38 GLY A HA3 19 ATOM 12210 N N . GLY A 1 39 ? -2.036 -1.826 -33.633 1.00 0.00 ? 39 GLY A N 19 ATOM 12211 C CA . GLY A 1 39 ? -1.337 -2.757 -34.498 1.00 0.00 ? 39 GLY A CA 19 ATOM 12212 C C . GLY A 1 39 ? 0.151 -2.806 -34.216 1.00 0.00 ? 39 GLY A C 19 ATOM 12213 O O . GLY A 1 39 ? 0.628 -2.199 -33.257 1.00 0.00 ? 39 GLY A O 19 ATOM 12214 H H . GLY A 1 39 ? -1.540 -1.327 -32.950 1.00 0.00 ? 39 GLY A H 19 ATOM 12215 H HA2 . GLY A 1 39 ? -1.752 -3.744 -34.357 1.00 0.00 ? 39 GLY A HA2 19 ATOM 12216 H HA3 . GLY A 1 39 ? -1.487 -2.458 -35.525 1.00 0.00 ? 39 GLY A HA3 19 ATOM 12217 N N . SER A 1 40 ? 0.887 -3.532 -35.051 1.00 0.00 ? 40 SER A N 19 ATOM 12218 C CA . SER A 1 40 ? 2.330 -3.663 -34.883 1.00 0.00 ? 40 SER A CA 19 ATOM 12219 C C . SER A 1 40 ? 3.013 -3.905 -36.225 1.00 0.00 ? 40 SER A C 19 ATOM 12220 O O . SER A 1 40 ? 2.366 -4.269 -37.207 1.00 0.00 ? 40 SER A O 19 ATOM 12221 C CB . SER A 1 40 ? 2.651 -4.807 -33.920 1.00 0.00 ? 40 SER A CB 19 ATOM 12222 O OG . SER A 1 40 ? 2.570 -4.377 -32.572 1.00 0.00 ? 40 SER A OG 19 ATOM 12223 H H . SER A 1 40 ? 0.449 -3.993 -35.797 1.00 0.00 ? 40 SER A H 19 ATOM 12224 H HA . SER A 1 40 ? 2.700 -2.738 -34.466 1.00 0.00 ? 40 SER A HA 19 ATOM 12225 H HB2 . SER A 1 40 ? 1.947 -5.610 -34.072 1.00 0.00 ? 40 SER A HB2 19 ATOM 12226 H HB3 . SER A 1 40 ? 3.652 -5.165 -34.112 1.00 0.00 ? 40 SER A HB3 19 ATOM 12227 H HG . SER A 1 40 ? 2.904 -5.068 -31.995 1.00 0.00 ? 40 SER A HG 19 ATOM 12228 N N . TYR A 1 41 ? 4.326 -3.701 -36.259 1.00 0.00 ? 41 TYR A N 19 ATOM 12229 C CA . TYR A 1 41 ? 5.098 -3.895 -37.481 1.00 0.00 ? 41 TYR A CA 19 ATOM 12230 C C . TYR A 1 41 ? 6.153 -4.981 -37.291 1.00 0.00 ? 41 TYR A C 19 ATOM 12231 O O . TYR A 1 41 ? 6.515 -5.321 -36.165 1.00 0.00 ? 41 TYR A O 19 ATOM 12232 C CB . TYR A 1 41 ? 5.767 -2.585 -37.899 1.00 0.00 ? 41 TYR A CB 19 ATOM 12233 C CG . TYR A 1 41 ? 5.950 -2.448 -39.394 1.00 0.00 ? 41 TYR A CG 19 ATOM 12234 C CD1 . TYR A 1 41 ? 4.962 -1.873 -40.184 1.00 0.00 ? 41 TYR A CD1 19 ATOM 12235 C CD2 . TYR A 1 41 ? 7.110 -2.894 -40.015 1.00 0.00 ? 41 TYR A CD2 19 ATOM 12236 C CE1 . TYR A 1 41 ? 5.124 -1.747 -41.550 1.00 0.00 ? 41 TYR A CE1 19 ATOM 12237 C CE2 . TYR A 1 41 ? 7.281 -2.770 -41.381 1.00 0.00 ? 41 TYR A CE2 19 ATOM 12238 C CZ . TYR A 1 41 ? 6.285 -2.197 -42.144 1.00 0.00 ? 41 TYR A CZ 19 ATOM 12239 O OH . TYR A 1 41 ? 6.451 -2.072 -43.504 1.00 0.00 ? 41 TYR A OH 19 ATOM 12240 H H . TYR A 1 41 ? 4.786 -3.412 -35.444 1.00 0.00 ? 41 TYR A H 19 ATOM 12241 H HA . TYR A 1 41 ? 4.416 -4.204 -38.259 1.00 0.00 ? 41 TYR A HA 19 ATOM 12242 H HB2 . TYR A 1 41 ? 5.164 -1.756 -37.562 1.00 0.00 ? 41 TYR A HB2 19 ATOM 12243 H HB3 . TYR A 1 41 ? 6.743 -2.524 -37.439 1.00 0.00 ? 41 TYR A HB3 19 ATOM 12244 H HD1 . TYR A 1 41 ? 4.054 -1.521 -39.716 1.00 0.00 ? 41 TYR A HD1 19 ATOM 12245 H HD2 . TYR A 1 41 ? 7.888 -3.342 -39.415 1.00 0.00 ? 41 TYR A HD2 19 ATOM 12246 H HE1 . TYR A 1 41 ? 4.345 -1.297 -42.148 1.00 0.00 ? 41 TYR A HE1 19 ATOM 12247 H HE2 . TYR A 1 41 ? 8.190 -3.123 -41.846 1.00 0.00 ? 41 TYR A HE2 19 ATOM 12248 H HH . TYR A 1 41 ? 5.604 -1.877 -43.913 1.00 0.00 ? 41 TYR A HH 19 ATOM 12249 N N . HIS A 1 42 ? 6.643 -5.520 -38.403 1.00 0.00 ? 42 HIS A N 19 ATOM 12250 C CA . HIS A 1 42 ? 7.658 -6.567 -38.361 1.00 0.00 ? 42 HIS A CA 19 ATOM 12251 C C . HIS A 1 42 ? 9.057 -5.973 -38.502 1.00 0.00 ? 42 HIS A C 19 ATOM 12252 O O . HIS A 1 42 ? 9.932 -6.563 -39.136 1.00 0.00 ? 42 HIS A O 19 ATOM 12253 C CB . HIS A 1 42 ? 7.412 -7.590 -39.471 1.00 0.00 ? 42 HIS A CB 19 ATOM 12254 C CG . HIS A 1 42 ? 7.896 -8.967 -39.134 1.00 0.00 ? 42 HIS A CG 19 ATOM 12255 N ND1 . HIS A 1 42 ? 8.036 -9.966 -40.074 1.00 0.00 ? 42 HIS A ND1 19 ATOM 12256 C CD2 . HIS A 1 42 ? 8.276 -9.507 -37.953 1.00 0.00 ? 42 HIS A CD2 19 ATOM 12257 C CE1 . HIS A 1 42 ? 8.479 -11.063 -39.485 1.00 0.00 ? 42 HIS A CE1 19 ATOM 12258 N NE2 . HIS A 1 42 ? 8.634 -10.811 -38.198 1.00 0.00 ? 42 HIS A NE2 19 ATOM 12259 H H . HIS A 1 42 ? 6.315 -5.207 -39.271 1.00 0.00 ? 42 HIS A H 19 ATOM 12260 H HA . HIS A 1 42 ? 7.585 -7.062 -37.405 1.00 0.00 ? 42 HIS A HA 19 ATOM 12261 H HB2 . HIS A 1 42 ? 6.351 -7.651 -39.666 1.00 0.00 ? 42 HIS A HB2 19 ATOM 12262 H HB3 . HIS A 1 42 ? 7.921 -7.268 -40.368 1.00 0.00 ? 42 HIS A HB3 19 ATOM 12263 H HD1 . HIS A 1 42 ? 7.838 -9.884 -41.030 1.00 0.00 ? 42 HIS A HD1 19 ATOM 12264 H HD2 . HIS A 1 42 ? 8.295 -9.007 -36.994 1.00 0.00 ? 42 HIS A HD2 19 ATOM 12265 H HE1 . HIS A 1 42 ? 8.681 -12.004 -39.972 1.00 0.00 ? 42 HIS A HE1 19 ATOM 12266 N N . CYS A 1 43 ? 9.260 -4.803 -37.907 1.00 0.00 ? 43 CYS A N 19 ATOM 12267 C CA . CYS A 1 43 ? 10.551 -4.128 -37.967 1.00 0.00 ? 43 CYS A CA 19 ATOM 12268 C C . CYS A 1 43 ? 10.823 -3.360 -36.677 1.00 0.00 ? 43 CYS A C 19 ATOM 12269 O O . CYS A 1 43 ? 10.155 -2.360 -36.419 1.00 0.00 ? 43 CYS A O 19 ATOM 12270 C CB . CYS A 1 43 ? 10.596 -3.173 -39.161 1.00 0.00 ? 43 CYS A CB 19 ATOM 12271 S SG . CYS A 1 43 ? 10.651 -4.009 -40.779 1.00 0.00 ? 43 CYS A SG 19 ATOM 12272 H H . CYS A 1 43 ? 8.523 -4.381 -37.416 1.00 0.00 ? 43 CYS A H 19 ATOM 12273 H HA . CYS A 1 43 ? 11.314 -4.881 -38.090 1.00 0.00 ? 43 CYS A HA 19 ATOM 12274 H HB2 . CYS A 1 43 ? 9.716 -2.547 -39.146 1.00 0.00 ? 43 CYS A HB2 19 ATOM 12275 H HB3 . CYS A 1 43 ? 11.475 -2.551 -39.082 1.00 0.00 ? 43 CYS A HB3 19 HETATM 12276 C C1 . NAG B 2 . ? 6.072 19.118 -20.743 1.00 0.00 ? 101 NAG A C1 19 HETATM 12277 C C2 . NAG B 2 . ? 6.386 20.298 -19.823 1.00 0.00 ? 101 NAG A C2 19 HETATM 12278 C C3 . NAG B 2 . ? 6.697 21.531 -20.677 1.00 0.00 ? 101 NAG A C3 19 HETATM 12279 C C4 . NAG B 2 . ? 7.801 21.169 -21.677 1.00 0.00 ? 101 NAG A C4 19 HETATM 12280 C C5 . NAG B 2 . ? 7.379 19.922 -22.458 1.00 0.00 ? 101 NAG A C5 19 HETATM 12281 C C6 . NAG B 2 . ? 8.462 19.574 -23.481 1.00 0.00 ? 101 NAG A C6 19 HETATM 12282 C C7 . NAG B 2 . ? 5.118 19.968 -17.769 1.00 0.00 ? 101 NAG A C7 19 HETATM 12283 C C8 . NAG B 2 . ? 3.930 20.252 -16.888 1.00 0.00 ? 101 NAG A C8 19 HETATM 12284 N N2 . NAG B 2 . ? 5.231 20.575 -18.967 1.00 0.00 ? 101 NAG A N2 19 HETATM 12285 O O3 . NAG B 2 . ? 7.140 22.603 -19.843 1.00 0.00 ? 101 NAG A O3 19 HETATM 12286 O O4 . NAG B 2 . ? 8.004 22.254 -22.584 1.00 0.00 ? 101 NAG A O4 19 HETATM 12287 O O5 . NAG B 2 . ? 7.203 18.828 -21.561 1.00 0.00 ? 101 NAG A O5 19 HETATM 12288 O O6 . NAG B 2 . ? 8.067 18.413 -24.215 1.00 0.00 ? 101 NAG A O6 19 HETATM 12289 O O7 . NAG B 2 . ? 5.975 19.193 -17.399 1.00 0.00 ? 101 NAG A O7 19 HETATM 12290 H H1 . NAG B 2 . ? 5.216 19.376 -21.385 1.00 0.00 ? 101 NAG A H1 19 HETATM 12291 H H2 . NAG B 2 . ? 7.255 20.054 -19.192 1.00 0.00 ? 101 NAG A H2 19 HETATM 12292 H H3 . NAG B 2 . ? 5.791 21.850 -21.213 1.00 0.00 ? 101 NAG A H3 19 HETATM 12293 H H4 . NAG B 2 . ? 8.738 20.971 -21.137 1.00 0.00 ? 101 NAG A H4 19 HETATM 12294 H H5 . NAG B 2 . ? 6.430 20.122 -22.977 1.00 0.00 ? 101 NAG A H5 19 HETATM 12295 H H61 . NAG B 2 . ? 8.619 20.419 -24.168 1.00 0.00 ? 101 NAG A H61 19 HETATM 12296 H H62 . NAG B 2 . ? 9.419 19.391 -22.970 1.00 0.00 ? 101 NAG A H62 19 HETATM 12297 H H81 . NAG B 2 . ? 4.002 21.276 -16.493 1.00 0.00 ? 101 NAG A H81 19 HETATM 12298 H H82 . NAG B 2 . ? 3.005 20.151 -17.475 1.00 0.00 ? 101 NAG A H82 19 HETATM 12299 H H83 . NAG B 2 . ? 3.913 19.538 -16.052 1.00 0.00 ? 101 NAG A H83 19 HETATM 12300 H HN2 . NAG B 2 . ? 4.526 21.214 -19.271 1.00 0.00 ? 101 NAG A HN2 19 HETATM 12301 H HO3 . NAG B 2 . ? 7.344 23.404 -20.406 1.00 0.00 ? 101 NAG A HO3 19 HETATM 12302 H HO4 . NAG B 2 . ? 8.957 22.264 -22.885 1.00 0.00 ? 101 NAG A HO4 19 HETATM 12303 H HO6 . NAG B 2 . ? 7.577 17.786 -23.609 1.00 0.00 ? 101 NAG A HO6 19 HETATM 12304 C C1 . NAG C 2 . ? 11.702 -3.270 -42.298 1.00 0.00 ? 102 NAG A C1 19 HETATM 12305 C C2 . NAG C 2 . ? 12.524 -3.162 -43.583 1.00 0.00 ? 102 NAG A C2 19 HETATM 12306 C C3 . NAG C 2 . ? 13.274 -1.826 -43.589 1.00 0.00 ? 102 NAG A C3 19 HETATM 12307 C C4 . NAG C 2 . ? 12.263 -0.696 -43.361 1.00 0.00 ? 102 NAG A C4 19 HETATM 12308 C C5 . NAG C 2 . ? 11.461 -0.991 -42.092 1.00 0.00 ? 102 NAG A C5 19 HETATM 12309 C C6 . NAG C 2 . ? 10.471 0.150 -41.841 1.00 0.00 ? 102 NAG A C6 19 HETATM 12310 C C7 . NAG C 2 . ? 13.147 -5.426 -44.233 1.00 0.00 ? 102 NAG A C7 19 HETATM 12311 C C8 . NAG C 2 . ? 14.137 -6.559 -44.296 1.00 0.00 ? 102 NAG A C8 19 HETATM 12312 N N2 . NAG C 2 . ? 13.487 -4.263 -43.644 1.00 0.00 ? 102 NAG A N2 19 HETATM 12313 O O3 . NAG C 2 . ? 13.927 -1.638 -44.845 1.00 0.00 ? 102 NAG A O3 19 HETATM 12314 O O4 . NAG C 2 . ? 12.954 0.545 -43.212 1.00 0.00 ? 102 NAG A O4 19 HETATM 12315 O O5 . NAG C 2 . ? 10.745 -2.214 -42.247 1.00 0.00 ? 102 NAG A O5 19 HETATM 12316 O O6 . NAG C 2 . ? 9.725 -0.121 -40.653 1.00 0.00 ? 102 NAG A O6 19 HETATM 12317 O O7 . NAG C 2 . ? 12.041 -5.560 -44.714 1.00 0.00 ? 102 NAG A O7 19 HETATM 12318 H H1 . NAG C 2 . ? 12.374 -3.194 -41.430 1.00 0.00 ? 102 NAG A H1 19 HETATM 12319 H H2 . NAG C 2 . ? 11.856 -3.216 -44.456 1.00 0.00 ? 102 NAG A H2 19 HETATM 12320 H H3 . NAG C 2 . ? 14.032 -1.821 -42.791 1.00 0.00 ? 102 NAG A H3 19 HETATM 12321 H H4 . NAG C 2 . ? 11.584 -0.629 -44.224 1.00 0.00 ? 102 NAG A H4 19 HETATM 12322 H H5 . NAG C 2 . ? 12.149 -1.078 -41.239 1.00 0.00 ? 102 NAG A H5 19 HETATM 12323 H H61 . NAG C 2 . ? 11.012 1.103 -41.739 1.00 0.00 ? 102 NAG A H61 19 HETATM 12324 H H62 . NAG C 2 . ? 9.791 0.255 -42.700 1.00 0.00 ? 102 NAG A H62 19 HETATM 12325 H H81 . NAG C 2 . ? 13.603 -7.518 -44.220 1.00 0.00 ? 102 NAG A H81 19 HETATM 12326 H H82 . NAG C 2 . ? 14.681 -6.518 -45.251 1.00 0.00 ? 102 NAG A H82 19 HETATM 12327 H H83 . NAG C 2 . ? 14.851 -6.470 -43.464 1.00 0.00 ? 102 NAG A H83 19 HETATM 12328 H HN2 . NAG C 2 . ? 14.399 -4.152 -43.248 1.00 0.00 ? 102 NAG A HN2 19 HETATM 12329 H HO3 . NAG C 2 . ? 14.412 -0.764 -44.843 1.00 0.00 ? 102 NAG A HO3 19 HETATM 12330 H HO4 . NAG C 2 . ? 12.377 1.291 -43.545 1.00 0.00 ? 102 NAG A HO4 19 HETATM 12331 H HO6 . NAG C 2 . ? 9.552 -1.104 -40.584 1.00 0.00 ? 102 NAG A HO6 19 ATOM 12332 N N . LYS A 1 1 ? 2.199 -1.536 -3.439 1.00 0.00 ? 1 LYS A N 20 ATOM 12333 C CA . LYS A 1 1 ? 2.621 -1.124 -4.772 1.00 0.00 ? 1 LYS A CA 20 ATOM 12334 C C . LYS A 1 1 ? 4.142 -1.059 -4.865 1.00 0.00 ? 1 LYS A C 20 ATOM 12335 O O . LYS A 1 1 ? 4.847 -0.976 -3.859 1.00 0.00 ? 1 LYS A O 20 ATOM 12336 C CB . LYS A 1 1 ? 2.019 0.239 -5.121 1.00 0.00 ? 1 LYS A CB 20 ATOM 12337 C CG . LYS A 1 1 ? 0.639 0.152 -5.748 1.00 0.00 ? 1 LYS A CG 20 ATOM 12338 C CD . LYS A 1 1 ? 0.242 1.463 -6.407 1.00 0.00 ? 1 LYS A CD 20 ATOM 12339 C CE . LYS A 1 1 ? -1.244 1.742 -6.242 1.00 0.00 ? 1 LYS A CE 20 ATOM 12340 N NZ . LYS A 1 1 ? -2.077 0.589 -6.682 1.00 0.00 ? 1 LYS A NZ 20 ATOM 12341 H H1 . LYS A 1 1 ? 2.350 -0.932 -2.681 1.00 0.00 ? 1 LYS A H1 20 ATOM 12342 H HA . LYS A 1 1 ? 2.260 -1.858 -5.476 1.00 0.00 ? 1 LYS A HA 20 ATOM 12343 H HB2 . LYS A 1 1 ? 1.945 0.828 -4.219 1.00 0.00 ? 1 LYS A HB2 20 ATOM 12344 H HB3 . LYS A 1 1 ? 2.676 0.742 -5.816 1.00 0.00 ? 1 LYS A HB3 20 ATOM 12345 H HG2 . LYS A 1 1 ? 0.641 -0.628 -6.495 1.00 0.00 ? 1 LYS A HG2 20 ATOM 12346 H HG3 . LYS A 1 1 ? -0.082 -0.086 -4.979 1.00 0.00 ? 1 LYS A HG3 20 ATOM 12347 H HD2 . LYS A 1 1 ? 0.801 2.268 -5.953 1.00 0.00 ? 1 LYS A HD2 20 ATOM 12348 H HD3 . LYS A 1 1 ? 0.475 1.410 -7.461 1.00 0.00 ? 1 LYS A HD3 20 ATOM 12349 H HE2 . LYS A 1 1 ? -1.445 1.945 -5.202 1.00 0.00 ? 1 LYS A HE2 20 ATOM 12350 H HE3 . LYS A 1 1 ? -1.502 2.608 -6.834 1.00 0.00 ? 1 LYS A HE3 20 ATOM 12351 H HZ1 . LYS A 1 1 ? -2.797 0.906 -7.362 1.00 0.00 ? 1 LYS A HZ1 20 ATOM 12352 H HZ2 . LYS A 1 1 ? -2.555 0.161 -5.862 1.00 0.00 ? 1 LYS A HZ2 20 ATOM 12353 H HZ3 . LYS A 1 1 ? -1.480 -0.131 -7.135 1.00 0.00 ? 1 LYS A HZ3 20 ATOM 12354 N N . PRO A 1 2 ? 4.662 -1.095 -6.101 1.00 0.00 ? 2 PRO A N 20 ATOM 12355 C CA . PRO A 1 2 ? 6.105 -1.039 -6.355 1.00 0.00 ? 2 PRO A CA 20 ATOM 12356 C C . PRO A 1 2 ? 6.696 0.331 -6.040 1.00 0.00 ? 2 PRO A C 20 ATOM 12357 O O . PRO A 1 2 ? 6.038 1.178 -5.437 1.00 0.00 ? 2 PRO A O 20 ATOM 12358 C CB . PRO A 1 2 ? 6.214 -1.337 -7.852 1.00 0.00 ? 2 PRO A CB 20 ATOM 12359 C CG . PRO A 1 2 ? 4.900 -0.919 -8.418 1.00 0.00 ? 2 PRO A CG 20 ATOM 12360 C CD . PRO A 1 2 ? 3.882 -1.193 -7.346 1.00 0.00 ? 2 PRO A CD 20 ATOM 12361 H HA . PRO A 1 2 ? 6.636 -1.796 -5.796 1.00 0.00 ? 2 PRO A HA 20 ATOM 12362 H HB2 . PRO A 1 2 ? 7.028 -0.767 -8.277 1.00 0.00 ? 2 PRO A HB2 20 ATOM 12363 H HB3 . PRO A 1 2 ? 6.390 -2.392 -8.001 1.00 0.00 ? 2 PRO A HB3 20 ATOM 12364 H HG2 . PRO A 1 2 ? 4.921 0.133 -8.656 1.00 0.00 ? 2 PRO A HG2 20 ATOM 12365 H HG3 . PRO A 1 2 ? 4.680 -1.501 -9.301 1.00 0.00 ? 2 PRO A HG3 20 ATOM 12366 H HD2 . PRO A 1 2 ? 3.100 -0.448 -7.370 1.00 0.00 ? 2 PRO A HD2 20 ATOM 12367 H HD3 . PRO A 1 2 ? 3.467 -2.183 -7.463 1.00 0.00 ? 2 PRO A HD3 20 ATOM 12368 N N . ALA A 1 3 ? 7.942 0.541 -6.452 1.00 0.00 ? 3 ALA A N 20 ATOM 12369 C CA . ALA A 1 3 ? 8.621 1.809 -6.216 1.00 0.00 ? 3 ALA A CA 20 ATOM 12370 C C . ALA A 1 3 ? 8.372 2.786 -7.361 1.00 0.00 ? 3 ALA A C 20 ATOM 12371 O O . ALA A 1 3 ? 9.017 3.831 -7.448 1.00 0.00 ? 3 ALA A O 20 ATOM 12372 C CB . ALA A 1 3 ? 10.114 1.582 -6.029 1.00 0.00 ? 3 ALA A CB 20 ATOM 12373 H H . ALA A 1 3 ? 8.415 -0.173 -6.928 1.00 0.00 ? 3 ALA A H 20 ATOM 12374 H HA . ALA A 1 3 ? 8.228 2.233 -5.303 1.00 0.00 ? 3 ALA A HA 20 ATOM 12375 H HB1 . ALA A 1 3 ? 10.557 2.460 -5.582 1.00 0.00 ? 3 ALA A HB1 20 ATOM 12376 H HB2 . ALA A 1 3 ? 10.269 0.731 -5.383 1.00 0.00 ? 3 ALA A HB2 20 ATOM 12377 H HB3 . ALA A 1 3 ? 10.572 1.396 -6.988 1.00 0.00 ? 3 ALA A HB3 20 ATOM 12378 N N . TRP A 1 4 ? 7.435 2.439 -8.235 1.00 0.00 ? 4 TRP A N 20 ATOM 12379 C CA . TRP A 1 4 ? 7.103 3.286 -9.375 1.00 0.00 ? 4 TRP A CA 20 ATOM 12380 C C . TRP A 1 4 ? 5.787 4.020 -9.142 1.00 0.00 ? 4 TRP A C 20 ATOM 12381 O O . TRP A 1 4 ? 5.684 5.223 -9.387 1.00 0.00 ? 4 TRP A O 20 ATOM 12382 C CB . TRP A 1 4 ? 7.014 2.447 -10.651 1.00 0.00 ? 4 TRP A CB 20 ATOM 12383 C CG . TRP A 1 4 ? 7.731 1.135 -10.551 1.00 0.00 ? 4 TRP A CG 20 ATOM 12384 C CD1 . TRP A 1 4 ? 9.012 0.932 -10.123 1.00 0.00 ? 4 TRP A CD1 20 ATOM 12385 C CD2 . TRP A 1 4 ? 7.209 -0.155 -10.887 1.00 0.00 ? 4 TRP A CD2 20 ATOM 12386 N NE1 . TRP A 1 4 ? 9.317 -0.407 -10.173 1.00 0.00 ? 4 TRP A NE1 20 ATOM 12387 C CE2 . TRP A 1 4 ? 8.228 -1.095 -10.637 1.00 0.00 ? 4 TRP A CE2 20 ATOM 12388 C CE3 . TRP A 1 4 ? 5.979 -0.608 -11.372 1.00 0.00 ? 4 TRP A CE3 20 ATOM 12389 C CZ2 . TRP A 1 4 ? 8.053 -2.458 -10.858 1.00 0.00 ? 4 TRP A CZ2 20 ATOM 12390 C CZ3 . TRP A 1 4 ? 5.807 -1.961 -11.592 1.00 0.00 ? 4 TRP A CZ3 20 ATOM 12391 C CH2 . TRP A 1 4 ? 6.839 -2.874 -11.334 1.00 0.00 ? 4 TRP A CH2 20 ATOM 12392 H H . TRP A 1 4 ? 6.956 1.593 -8.112 1.00 0.00 ? 4 TRP A H 20 ATOM 12393 H HA . TRP A 1 4 ? 7.893 4.014 -9.488 1.00 0.00 ? 4 TRP A HA 20 ATOM 12394 H HB2 . TRP A 1 4 ? 5.976 2.244 -10.869 1.00 0.00 ? 4 TRP A HB2 20 ATOM 12395 H HB3 . TRP A 1 4 ? 7.448 3.004 -11.470 1.00 0.00 ? 4 TRP A HB3 20 ATOM 12396 H HD1 . TRP A 1 4 ? 9.676 1.718 -9.798 1.00 0.00 ? 4 TRP A HD1 20 ATOM 12397 H HE1 . TRP A 1 4 ? 10.176 -0.804 -9.916 1.00 0.00 ? 4 TRP A HE1 20 ATOM 12398 H HE3 . TRP A 1 4 ? 5.172 0.080 -11.577 1.00 0.00 ? 4 TRP A HE3 20 ATOM 12399 H HZ2 . TRP A 1 4 ? 8.838 -3.174 -10.664 1.00 0.00 ? 4 TRP A HZ2 20 ATOM 12400 H HZ3 . TRP A 1 4 ? 4.864 -2.330 -11.967 1.00 0.00 ? 4 TRP A HZ3 20 ATOM 12401 H HH2 . TRP A 1 4 ? 6.660 -3.921 -11.520 1.00 0.00 ? 4 TRP A HH2 20 ATOM 12402 N N . CYS A 1 5 ? 4.783 3.291 -8.667 1.00 0.00 ? 5 CYS A N 20 ATOM 12403 C CA . CYS A 1 5 ? 3.473 3.873 -8.401 1.00 0.00 ? 5 CYS A CA 20 ATOM 12404 C C . CYS A 1 5 ? 3.380 4.366 -6.960 1.00 0.00 ? 5 CYS A C 20 ATOM 12405 O O . CYS A 1 5 ? 4.382 4.428 -6.249 1.00 0.00 ? 5 CYS A O 20 ATOM 12406 C CB . CYS A 1 5 ? 2.371 2.847 -8.673 1.00 0.00 ? 5 CYS A CB 20 ATOM 12407 S SG . CYS A 1 5 ? 2.618 1.876 -10.195 1.00 0.00 ? 5 CYS A SG 20 ATOM 12408 H H . CYS A 1 5 ? 4.926 2.336 -8.492 1.00 0.00 ? 5 CYS A H 20 ATOM 12409 H HA . CYS A 1 5 ? 3.342 4.713 -9.065 1.00 0.00 ? 5 CYS A HA 20 ATOM 12410 H HB2 . CYS A 1 5 ? 2.324 2.153 -7.846 1.00 0.00 ? 5 CYS A HB2 20 ATOM 12411 H HB3 . CYS A 1 5 ? 1.425 3.360 -8.760 1.00 0.00 ? 5 CYS A HB3 20 ATOM 12412 N N . TRP A 1 6 ? 2.170 4.713 -6.537 1.00 0.00 ? 6 TRP A N 20 ATOM 12413 C CA . TRP A 1 6 ? 1.945 5.201 -5.181 1.00 0.00 ? 6 TRP A CA 20 ATOM 12414 C C . TRP A 1 6 ? 0.504 4.955 -4.746 1.00 0.00 ? 6 TRP A C 20 ATOM 12415 O O . TRP A 1 6 ? 0.249 4.542 -3.615 1.00 0.00 ? 6 TRP A O 20 ATOM 12416 C CB . TRP A 1 6 ? 2.271 6.692 -5.092 1.00 0.00 ? 6 TRP A CB 20 ATOM 12417 C CG . TRP A 1 6 ? 3.033 7.062 -3.856 1.00 0.00 ? 6 TRP A CG 20 ATOM 12418 C CD1 . TRP A 1 6 ? 4.352 7.406 -3.779 1.00 0.00 ? 6 TRP A CD1 20 ATOM 12419 C CD2 . TRP A 1 6 ? 2.522 7.121 -2.520 1.00 0.00 ? 6 TRP A CD2 20 ATOM 12420 N NE1 . TRP A 1 6 ? 4.692 7.676 -2.475 1.00 0.00 ? 6 TRP A NE1 20 ATOM 12421 C CE2 . TRP A 1 6 ? 3.587 7.510 -1.683 1.00 0.00 ? 6 TRP A CE2 20 ATOM 12422 C CE3 . TRP A 1 6 ? 1.268 6.886 -1.949 1.00 0.00 ? 6 TRP A CE3 20 ATOM 12423 C CZ2 . TRP A 1 6 ? 3.434 7.666 -0.308 1.00 0.00 ? 6 TRP A CZ2 20 ATOM 12424 C CZ3 . TRP A 1 6 ? 1.118 7.042 -0.584 1.00 0.00 ? 6 TRP A CZ3 20 ATOM 12425 C CH2 . TRP A 1 6 ? 2.195 7.430 0.224 1.00 0.00 ? 6 TRP A CH2 20 ATOM 12426 H H . TRP A 1 6 ? 1.409 4.641 -7.152 1.00 0.00 ? 6 TRP A H 20 ATOM 12427 H HA . TRP A 1 6 ? 2.605 4.657 -4.521 1.00 0.00 ? 6 TRP A HA 20 ATOM 12428 H HB2 . TRP A 1 6 ? 2.865 6.976 -5.948 1.00 0.00 ? 6 TRP A HB2 20 ATOM 12429 H HB3 . TRP A 1 6 ? 1.348 7.255 -5.097 1.00 0.00 ? 6 TRP A HB3 20 ATOM 12430 H HD1 . TRP A 1 6 ? 5.019 7.453 -4.626 1.00 0.00 ? 6 TRP A HD1 20 ATOM 12431 H HE1 . TRP A 1 6 ? 5.581 7.946 -2.163 1.00 0.00 ? 6 TRP A HE1 20 ATOM 12432 H HE3 . TRP A 1 6 ? 0.426 6.587 -2.555 1.00 0.00 ? 6 TRP A HE3 20 ATOM 12433 H HZ2 . TRP A 1 6 ? 4.254 7.965 0.328 1.00 0.00 ? 6 TRP A HZ2 20 ATOM 12434 H HZ3 . TRP A 1 6 ? 0.156 6.864 -0.125 1.00 0.00 ? 6 TRP A HZ3 20 ATOM 12435 H HH2 . TRP A 1 6 ? 2.032 7.539 1.285 1.00 0.00 ? 6 TRP A HH2 20 ATOM 12436 N N . TYR A 1 7 ? -0.434 5.212 -5.651 1.00 0.00 ? 7 TYR A N 20 ATOM 12437 C CA . TYR A 1 7 ? -1.850 5.020 -5.359 1.00 0.00 ? 7 TYR A CA 20 ATOM 12438 C C . TYR A 1 7 ? -2.702 5.296 -6.594 1.00 0.00 ? 7 TYR A C 20 ATOM 12439 O O . TYR A 1 7 ? -2.189 5.399 -7.708 1.00 0.00 ? 7 TYR A O 20 ATOM 12440 C CB . TYR A 1 7 ? -2.283 5.934 -4.212 1.00 0.00 ? 7 TYR A CB 20 ATOM 12441 C CG . TYR A 1 7 ? -3.169 5.250 -3.195 1.00 0.00 ? 7 TYR A CG 20 ATOM 12442 C CD1 . TYR A 1 7 ? -2.724 4.138 -2.492 1.00 0.00 ? 7 TYR A CD1 20 ATOM 12443 C CD2 . TYR A 1 7 ? -4.452 5.718 -2.937 1.00 0.00 ? 7 TYR A CD2 20 ATOM 12444 C CE1 . TYR A 1 7 ? -3.531 3.510 -1.563 1.00 0.00 ? 7 TYR A CE1 20 ATOM 12445 C CE2 . TYR A 1 7 ? -5.265 5.097 -2.008 1.00 0.00 ? 7 TYR A CE2 20 ATOM 12446 C CZ . TYR A 1 7 ? -4.800 3.993 -1.325 1.00 0.00 ? 7 TYR A CZ 20 ATOM 12447 O OH . TYR A 1 7 ? -5.606 3.371 -0.399 1.00 0.00 ? 7 TYR A OH 20 ATOM 12448 H H . TYR A 1 7 ? -0.168 5.539 -6.536 1.00 0.00 ? 7 TYR A H 20 ATOM 12449 H HA . TYR A 1 7 ? -1.991 3.992 -5.060 1.00 0.00 ? 7 TYR A HA 20 ATOM 12450 H HB2 . TYR A 1 7 ? -1.406 6.295 -3.697 1.00 0.00 ? 7 TYR A HB2 20 ATOM 12451 H HB3 . TYR A 1 7 ? -2.829 6.774 -4.616 1.00 0.00 ? 7 TYR A HB3 20 ATOM 12452 H HD1 . TYR A 1 7 ? -1.729 3.762 -2.682 1.00 0.00 ? 7 TYR A HD1 20 ATOM 12453 H HD2 . TYR A 1 7 ? -4.814 6.583 -3.474 1.00 0.00 ? 7 TYR A HD2 20 ATOM 12454 H HE1 . TYR A 1 7 ? -3.167 2.646 -1.028 1.00 0.00 ? 7 TYR A HE1 20 ATOM 12455 H HE2 . TYR A 1 7 ? -6.259 5.476 -1.821 1.00 0.00 ? 7 TYR A HE2 20 ATOM 12456 H HH . TYR A 1 7 ? -5.505 3.801 0.454 1.00 0.00 ? 7 TYR A HH 20 ATOM 12457 N N . THR A 1 8 ? -4.010 5.415 -6.387 1.00 0.00 ? 8 THR A N 20 ATOM 12458 C CA . THR A 1 8 ? -4.936 5.678 -7.482 1.00 0.00 ? 8 THR A CA 20 ATOM 12459 C C . THR A 1 8 ? -5.318 7.153 -7.536 1.00 0.00 ? 8 THR A C 20 ATOM 12460 O O . THR A 1 8 ? -6.389 7.510 -8.029 1.00 0.00 ? 8 THR A O 20 ATOM 12461 C CB . THR A 1 8 ? -6.217 4.832 -7.350 1.00 0.00 ? 8 THR A CB 20 ATOM 12462 O OG1 . THR A 1 8 ? -5.890 3.517 -6.888 1.00 0.00 ? 8 THR A OG1 20 ATOM 12463 C CG2 . THR A 1 8 ? -6.945 4.742 -8.682 1.00 0.00 ? 8 THR A CG2 20 ATOM 12464 H H . THR A 1 8 ? -4.359 5.323 -5.476 1.00 0.00 ? 8 THR A H 20 ATOM 12465 H HA . THR A 1 8 ? -4.445 5.409 -8.406 1.00 0.00 ? 8 THR A HA 20 ATOM 12466 H HB . THR A 1 8 ? -6.870 5.306 -6.631 1.00 0.00 ? 8 THR A HB 20 ATOM 12467 H HG1 . THR A 1 8 ? -6.665 3.117 -6.487 1.00 0.00 ? 8 THR A HG1 20 ATOM 12468 H HG21 . THR A 1 8 ? -7.831 5.358 -8.651 1.00 0.00 ? 8 THR A HG21 20 ATOM 12469 H HG22 . THR A 1 8 ? -7.226 3.716 -8.869 1.00 0.00 ? 8 THR A HG22 20 ATOM 12470 H HG23 . THR A 1 8 ? -6.294 5.086 -9.472 1.00 0.00 ? 8 THR A HG23 20 ATOM 12471 N N . LEU A 1 9 ? -4.436 8.007 -7.028 1.00 0.00 ? 9 LEU A N 20 ATOM 12472 C CA . LEU A 1 9 ? -4.681 9.445 -7.019 1.00 0.00 ? 9 LEU A CA 20 ATOM 12473 C C . LEU A 1 9 ? -4.631 10.014 -8.434 1.00 0.00 ? 9 LEU A C 20 ATOM 12474 O O . LEU A 1 9 ? -5.251 11.036 -8.724 1.00 0.00 ? 9 LEU A O 20 ATOM 12475 C CB . LEU A 1 9 ? -3.651 10.152 -6.136 1.00 0.00 ? 9 LEU A CB 20 ATOM 12476 C CG . LEU A 1 9 ? -4.084 10.437 -4.697 1.00 0.00 ? 9 LEU A CG 20 ATOM 12477 C CD1 . LEU A 1 9 ? -4.031 9.167 -3.863 1.00 0.00 ? 9 LEU A CD1 20 ATOM 12478 C CD2 . LEU A 1 9 ? -3.209 11.519 -4.082 1.00 0.00 ? 9 LEU A CD2 20 ATOM 12479 H H . LEU A 1 9 ? -3.601 7.663 -6.649 1.00 0.00 ? 9 LEU A H 20 ATOM 12480 H HA . LEU A 1 9 ? -5.667 9.611 -6.612 1.00 0.00 ? 9 LEU A HA 20 ATOM 12481 H HB2 . LEU A 1 9 ? -2.768 9.534 -6.099 1.00 0.00 ? 9 LEU A HB2 20 ATOM 12482 H HB3 . LEU A 1 9 ? -3.409 11.096 -6.603 1.00 0.00 ? 9 LEU A HB3 20 ATOM 12483 H HG . LEU A 1 9 ? -5.106 10.792 -4.699 1.00 0.00 ? 9 LEU A HG 20 ATOM 12484 H HD11 . LEU A 1 9 ? -3.002 8.876 -3.715 1.00 0.00 ? 9 LEU A HD11 20 ATOM 12485 H HD12 . LEU A 1 9 ? -4.558 8.376 -4.376 1.00 0.00 ? 9 LEU A HD12 20 ATOM 12486 H HD13 . LEU A 1 9 ? -4.495 9.346 -2.904 1.00 0.00 ? 9 LEU A HD13 20 ATOM 12487 H HD21 . LEU A 1 9 ? -3.553 11.733 -3.081 1.00 0.00 ? 9 LEU A HD21 20 ATOM 12488 H HD22 . LEU A 1 9 ? -3.269 12.414 -4.683 1.00 0.00 ? 9 LEU A HD22 20 ATOM 12489 H HD23 . LEU A 1 9 ? -2.185 11.177 -4.046 1.00 0.00 ? 9 LEU A HD23 20 ATOM 12490 N N . ALA A 1 10 ? -3.890 9.344 -9.310 1.00 0.00 ? 10 ALA A N 20 ATOM 12491 C CA . ALA A 1 10 ? -3.762 9.780 -10.695 1.00 0.00 ? 10 ALA A CA 20 ATOM 12492 C C . ALA A 1 10 ? -3.038 11.119 -10.784 1.00 0.00 ? 10 ALA A C 20 ATOM 12493 O O . ALA A 1 10 ? -3.601 12.110 -11.248 1.00 0.00 ? 10 ALA A O 20 ATOM 12494 C CB . ALA A 1 10 ? -5.134 9.876 -11.346 1.00 0.00 ? 10 ALA A CB 20 ATOM 12495 H H . ALA A 1 10 ? -3.419 8.536 -9.018 1.00 0.00 ? 10 ALA A H 20 ATOM 12496 H HA . ALA A 1 10 ? -3.189 9.036 -11.228 1.00 0.00 ? 10 ALA A HA 20 ATOM 12497 H HB1 . ALA A 1 10 ? -5.033 9.752 -12.415 1.00 0.00 ? 10 ALA A HB1 20 ATOM 12498 H HB2 . ALA A 1 10 ? -5.774 9.100 -10.952 1.00 0.00 ? 10 ALA A HB2 20 ATOM 12499 H HB3 . ALA A 1 10 ? -5.566 10.842 -11.134 1.00 0.00 ? 10 ALA A HB3 20 ATOM 12500 N N . MET A 1 11 ? -1.787 11.141 -10.336 1.00 0.00 ? 11 MET A N 20 ATOM 12501 C CA . MET A 1 11 ? -0.986 12.359 -10.366 1.00 0.00 ? 11 MET A CA 20 ATOM 12502 C C . MET A 1 11 ? -0.992 12.979 -11.760 1.00 0.00 ? 11 MET A C 20 ATOM 12503 O O . MET A 1 11 ? -1.602 14.026 -11.981 1.00 0.00 ? 11 MET A O 20 ATOM 12504 C CB . MET A 1 11 ? 0.451 12.060 -9.934 1.00 0.00 ? 11 MET A CB 20 ATOM 12505 C CG . MET A 1 11 ? 0.552 11.422 -8.559 1.00 0.00 ? 11 MET A CG 20 ATOM 12506 S SD . MET A 1 11 ? 0.434 12.627 -7.223 1.00 0.00 ? 11 MET A SD 20 ATOM 12507 C CE . MET A 1 11 ? -0.860 11.898 -6.223 1.00 0.00 ? 11 MET A CE 20 ATOM 12508 H H . MET A 1 11 ? -1.392 10.318 -9.977 1.00 0.00 ? 11 MET A H 20 ATOM 12509 H HA . MET A 1 11 ? -1.423 13.060 -9.671 1.00 0.00 ? 11 MET A HA 20 ATOM 12510 H HB2 . MET A 1 11 ? 0.898 11.390 -10.653 1.00 0.00 ? 11 MET A HB2 20 ATOM 12511 H HB3 . MET A 1 11 ? 1.010 12.984 -9.920 1.00 0.00 ? 11 MET A HB3 20 ATOM 12512 H HG2 . MET A 1 11 ? -0.248 10.705 -8.449 1.00 0.00 ? 11 MET A HG2 20 ATOM 12513 H HG3 . MET A 1 11 ? 1.502 10.913 -8.483 1.00 0.00 ? 11 MET A HG3 20 ATOM 12514 H HE1 . MET A 1 11 ? -0.439 11.543 -5.293 1.00 0.00 ? 11 MET A HE1 20 ATOM 12515 H HE2 . MET A 1 11 ? -1.617 12.640 -6.015 1.00 0.00 ? 11 MET A HE2 20 ATOM 12516 H HE3 . MET A 1 11 ? -1.304 11.071 -6.756 1.00 0.00 ? 11 MET A HE3 20 ATOM 12517 N N . CYS A 1 12 ? -0.310 12.328 -12.695 1.00 0.00 ? 12 CYS A N 20 ATOM 12518 C CA . CYS A 1 12 ? -0.236 12.816 -14.067 1.00 0.00 ? 12 CYS A CA 20 ATOM 12519 C C . CYS A 1 12 ? -1.630 12.959 -14.670 1.00 0.00 ? 12 CYS A C 20 ATOM 12520 O O . CYS A 1 12 ? -2.585 12.337 -14.206 1.00 0.00 ? 12 CYS A O 20 ATOM 12521 C CB . CYS A 1 12 ? 0.606 11.867 -14.923 1.00 0.00 ? 12 CYS A CB 20 ATOM 12522 S SG . CYS A 1 12 ? -0.153 10.233 -15.188 1.00 0.00 ? 12 CYS A SG 20 ATOM 12523 H H . CYS A 1 12 ? 0.157 11.498 -12.458 1.00 0.00 ? 12 CYS A H 20 ATOM 12524 H HA . CYS A 1 12 ? 0.237 13.786 -14.050 1.00 0.00 ? 12 CYS A HA 20 ATOM 12525 H HB2 . CYS A 1 12 ? 0.766 12.316 -15.893 1.00 0.00 ? 12 CYS A HB2 20 ATOM 12526 H HB3 . CYS A 1 12 ? 1.561 11.713 -14.443 1.00 0.00 ? 12 CYS A HB3 20 ATOM 12527 N N . GLY A 1 13 ? -1.739 13.784 -15.707 1.00 0.00 ? 13 GLY A N 20 ATOM 12528 C CA . GLY A 1 13 ? -3.020 13.994 -16.356 1.00 0.00 ? 13 GLY A CA 20 ATOM 12529 C C . GLY A 1 13 ? -3.764 15.191 -15.797 1.00 0.00 ? 13 GLY A C 20 ATOM 12530 O O . GLY A 1 13 ? -4.573 15.806 -16.490 1.00 0.00 ? 13 GLY A O 20 ATOM 12531 H H . GLY A 1 13 ? -0.944 14.254 -16.034 1.00 0.00 ? 13 GLY A H 20 ATOM 12532 H HA2 . GLY A 1 13 ? -2.855 14.147 -17.412 1.00 0.00 ? 13 GLY A HA2 20 ATOM 12533 H HA3 . GLY A 1 13 ? -3.629 13.112 -16.221 1.00 0.00 ? 13 GLY A HA3 20 ATOM 12534 N N . ALA A 1 14 ? -3.491 15.521 -14.539 1.00 0.00 ? 14 ALA A N 20 ATOM 12535 C CA . ALA A 1 14 ? -4.140 16.651 -13.887 1.00 0.00 ? 14 ALA A CA 20 ATOM 12536 C C . ALA A 1 14 ? -3.216 17.864 -13.843 1.00 0.00 ? 14 ALA A C 20 ATOM 12537 O O . ALA A 1 14 ? -3.375 18.747 -13.001 1.00 0.00 ? 14 ALA A O 20 ATOM 12538 C CB . ALA A 1 14 ? -4.580 16.269 -12.481 1.00 0.00 ? 14 ALA A CB 20 ATOM 12539 H H . ALA A 1 14 ? -2.836 14.991 -14.037 1.00 0.00 ? 14 ALA A H 20 ATOM 12540 H HA . ALA A 1 14 ? -5.022 16.904 -14.458 1.00 0.00 ? 14 ALA A HA 20 ATOM 12541 H HB1 . ALA A 1 14 ? -3.741 15.852 -11.944 1.00 0.00 ? 14 ALA A HB1 20 ATOM 12542 H HB2 . ALA A 1 14 ? -4.938 17.147 -11.965 1.00 0.00 ? 14 ALA A HB2 20 ATOM 12543 H HB3 . ALA A 1 14 ? -5.371 15.537 -12.539 1.00 0.00 ? 14 ALA A HB3 20 ATOM 12544 N N . GLY A 1 15 ? -2.250 17.899 -14.756 1.00 0.00 ? 15 GLY A N 20 ATOM 12545 C CA . GLY A 1 15 ? -1.314 19.008 -14.802 1.00 0.00 ? 15 GLY A CA 20 ATOM 12546 C C . GLY A 1 15 ? -0.014 18.699 -14.088 1.00 0.00 ? 15 GLY A C 20 ATOM 12547 O O . GLY A 1 15 ? 0.803 19.591 -13.858 1.00 0.00 ? 15 GLY A O 20 ATOM 12548 H H . GLY A 1 15 ? -2.171 17.167 -15.402 1.00 0.00 ? 15 GLY A H 20 ATOM 12549 H HA2 . GLY A 1 15 ? -1.099 19.240 -15.835 1.00 0.00 ? 15 GLY A HA2 20 ATOM 12550 H HA3 . GLY A 1 15 ? -1.771 19.869 -14.338 1.00 0.00 ? 15 GLY A HA3 20 ATOM 12551 N N . TYR A 1 16 ? 0.179 17.434 -13.733 1.00 0.00 ? 16 TYR A N 20 ATOM 12552 C CA . TYR A 1 16 ? 1.388 17.011 -13.037 1.00 0.00 ? 16 TYR A CA 20 ATOM 12553 C C . TYR A 1 16 ? 2.499 16.676 -14.027 1.00 0.00 ? 16 TYR A C 20 ATOM 12554 O O . TYR A 1 16 ? 3.682 16.829 -13.725 1.00 0.00 ? 16 TYR A O 20 ATOM 12555 C CB . TYR A 1 16 ? 1.094 15.797 -12.153 1.00 0.00 ? 16 TYR A CB 20 ATOM 12556 C CG . TYR A 1 16 ? 0.785 16.154 -10.717 1.00 0.00 ? 16 TYR A CG 20 ATOM 12557 C CD1 . TYR A 1 16 ? -0.274 16.996 -10.402 1.00 0.00 ? 16 TYR A CD1 20 ATOM 12558 C CD2 . TYR A 1 16 ? 1.552 15.648 -9.674 1.00 0.00 ? 16 TYR A CD2 20 ATOM 12559 C CE1 . TYR A 1 16 ? -0.559 17.326 -9.091 1.00 0.00 ? 16 TYR A CE1 20 ATOM 12560 C CE2 . TYR A 1 16 ? 1.273 15.971 -8.360 1.00 0.00 ? 16 TYR A CE2 20 ATOM 12561 C CZ . TYR A 1 16 ? 0.217 16.810 -8.074 1.00 0.00 ? 16 TYR A CZ 20 ATOM 12562 O OH . TYR A 1 16 ? -0.065 17.135 -6.767 1.00 0.00 ? 16 TYR A OH 20 ATOM 12563 H H . TYR A 1 16 ? -0.509 16.768 -13.944 1.00 0.00 ? 16 TYR A H 20 ATOM 12564 H HA . TYR A 1 16 ? 1.714 17.829 -12.411 1.00 0.00 ? 16 TYR A HA 20 ATOM 12565 H HB2 . TYR A 1 16 ? 0.243 15.267 -12.553 1.00 0.00 ? 16 TYR A HB2 20 ATOM 12566 H HB3 . TYR A 1 16 ? 1.954 15.142 -12.155 1.00 0.00 ? 16 TYR A HB3 20 ATOM 12567 H HD1 . TYR A 1 16 ? -0.880 17.397 -11.201 1.00 0.00 ? 16 TYR A HD1 20 ATOM 12568 H HD2 . TYR A 1 16 ? 2.379 14.991 -9.902 1.00 0.00 ? 16 TYR A HD2 20 ATOM 12569 H HE1 . TYR A 1 16 ? -1.387 17.982 -8.866 1.00 0.00 ? 16 TYR A HE1 20 ATOM 12570 H HE2 . TYR A 1 16 ? 1.881 15.568 -7.564 1.00 0.00 ? 16 TYR A HE2 20 ATOM 12571 H HH . TYR A 1 16 ? 0.460 16.585 -6.180 1.00 0.00 ? 16 TYR A HH 20 ATOM 12572 N N . ASP A 1 17 ? 2.108 16.218 -15.212 1.00 0.00 ? 17 ASP A N 20 ATOM 12573 C CA . ASP A 1 17 ? 3.069 15.863 -16.249 1.00 0.00 ? 17 ASP A CA 20 ATOM 12574 C C . ASP A 1 17 ? 2.805 16.651 -17.528 1.00 0.00 ? 17 ASP A C 20 ATOM 12575 O O . ASP A 1 17 ? 1.946 17.532 -17.559 1.00 0.00 ? 17 ASP A O 20 ATOM 12576 C CB . ASP A 1 17 ? 3.008 14.362 -16.539 1.00 0.00 ? 17 ASP A CB 20 ATOM 12577 C CG . ASP A 1 17 ? 3.389 13.524 -15.334 1.00 0.00 ? 17 ASP A CG 20 ATOM 12578 O OD1 . ASP A 1 17 ? 2.777 13.711 -14.262 1.00 0.00 ? 17 ASP A OD1 20 ATOM 12579 O OD2 . ASP A 1 17 ? 4.300 12.680 -15.464 1.00 0.00 ? 17 ASP A OD2 20 ATOM 12580 H H . ASP A 1 17 ? 1.150 16.118 -15.393 1.00 0.00 ? 17 ASP A H 20 ATOM 12581 H HA . ASP A 1 17 ? 4.056 16.109 -15.886 1.00 0.00 ? 17 ASP A HA 20 ATOM 12582 H HB2 . ASP A 1 17 ? 2.001 14.100 -16.832 1.00 0.00 ? 17 ASP A HB2 20 ATOM 12583 H HB3 . ASP A 1 17 ? 3.686 14.130 -17.346 1.00 0.00 ? 17 ASP A HB3 20 ATOM 12584 N N . SER A 1 18 ? 3.551 16.330 -18.580 1.00 0.00 ? 18 SER A N 20 ATOM 12585 C CA . SER A 1 18 ? 3.401 17.011 -19.860 1.00 0.00 ? 18 SER A CA 20 ATOM 12586 C C . SER A 1 18 ? 2.266 16.396 -20.674 1.00 0.00 ? 18 SER A C 20 ATOM 12587 O O . SER A 1 18 ? 2.583 15.420 -21.352 1.00 0.00 ? 18 SER A O 20 ATOM 12588 C CB . SER A 1 18 ? 4.707 16.944 -20.654 1.00 0.00 ? 18 SER A CB 20 ATOM 12589 O OG . SER A 1 18 ? 5.706 17.757 -20.063 1.00 0.00 ? 18 SER A OG 20 ATOM 12590 H H . SER A 1 18 ? 4.220 15.618 -18.492 1.00 0.00 ? 18 SER A H 20 ATOM 12591 H HA . SER A 1 18 ? 3.165 18.046 -19.659 1.00 0.00 ? 18 SER A HA 20 ATOM 12592 H HB2 . SER A 1 18 ? 5.059 15.924 -20.678 1.00 0.00 ? 18 SER A HB2 20 ATOM 12593 H HB3 . SER A 1 18 ? 4.530 17.288 -21.663 1.00 0.00 ? 18 SER A HB3 20 ATOM 12594 N N . GLY A 1 19 ? 1.138 16.417 -19.945 1.00 0.00 ? 19 GLY A N 20 ATOM 12595 C CA . GLY A 1 19 ? 0.216 15.296 -19.959 1.00 0.00 ? 19 GLY A CA 20 ATOM 12596 C C . GLY A 1 19 ? 0.858 14.024 -20.476 1.00 0.00 ? 19 GLY A C 20 ATOM 12597 O O . GLY A 1 19 ? 0.642 13.632 -21.624 1.00 0.00 ? 19 GLY A O 20 ATOM 12598 H H . GLY A 1 19 ? 0.933 17.210 -19.407 1.00 0.00 ? 19 GLY A H 20 ATOM 12599 H HA2 . GLY A 1 19 ? -0.140 15.124 -18.954 1.00 0.00 ? 19 GLY A HA2 20 ATOM 12600 H HA3 . GLY A 1 19 ? -0.625 15.544 -20.591 1.00 0.00 ? 19 GLY A HA3 20 ATOM 12601 N N . THR A 1 20 ? 1.652 13.377 -19.629 1.00 0.00 ? 20 THR A N 20 ATOM 12602 C CA . THR A 1 20 ? 2.330 12.143 -20.008 1.00 0.00 ? 20 THR A CA 20 ATOM 12603 C C . THR A 1 20 ? 2.574 11.255 -18.794 1.00 0.00 ? 20 THR A C 20 ATOM 12604 O O . THR A 1 20 ? 2.953 11.736 -17.725 1.00 0.00 ? 20 THR A O 20 ATOM 12605 C CB . THR A 1 20 ? 3.677 12.432 -20.697 1.00 0.00 ? 20 THR A CB 20 ATOM 12606 O OG1 . THR A 1 20 ? 4.174 11.242 -21.320 1.00 0.00 ? 20 THR A OG1 20 ATOM 12607 C CG2 . THR A 1 20 ? 4.698 12.950 -19.695 1.00 0.00 ? 20 THR A CG2 20 ATOM 12608 H H . THR A 1 20 ? 1.785 13.739 -18.729 1.00 0.00 ? 20 THR A H 20 ATOM 12609 H HA . THR A 1 20 ? 1.698 11.616 -20.707 1.00 0.00 ? 20 THR A HA 20 ATOM 12610 H HB . THR A 1 20 ? 3.523 13.187 -21.454 1.00 0.00 ? 20 THR A HB 20 ATOM 12611 H HG1 . THR A 1 20 ? 3.519 10.906 -21.936 1.00 0.00 ? 20 THR A HG1 20 ATOM 12612 H HG21 . THR A 1 20 ? 4.312 13.836 -19.214 1.00 0.00 ? 20 THR A HG21 20 ATOM 12613 H HG22 . THR A 1 20 ? 5.617 13.191 -20.209 1.00 0.00 ? 20 THR A HG22 20 ATOM 12614 H HG23 . THR A 1 20 ? 4.890 12.190 -18.952 1.00 0.00 ? 20 THR A HG23 20 ATOM 12615 N N . CYS A 1 21 ? 2.354 9.955 -18.964 1.00 0.00 ? 21 CYS A N 20 ATOM 12616 C CA . CYS A 1 21 ? 2.550 8.998 -17.882 1.00 0.00 ? 21 CYS A CA 20 ATOM 12617 C C . CYS A 1 21 ? 3.429 7.836 -18.336 1.00 0.00 ? 21 CYS A C 20 ATOM 12618 O O . CYS A 1 21 ? 3.980 7.854 -19.436 1.00 0.00 ? 21 CYS A O 20 ATOM 12619 C CB . CYS A 1 21 ? 1.201 8.470 -17.390 1.00 0.00 ? 21 CYS A CB 20 ATOM 12620 S SG . CYS A 1 21 ? -0.049 9.766 -17.114 1.00 0.00 ? 21 CYS A SG 20 ATOM 12621 H H . CYS A 1 21 ? 2.052 9.632 -19.839 1.00 0.00 ? 21 CYS A H 20 ATOM 12622 H HA . CYS A 1 21 ? 3.044 9.511 -17.070 1.00 0.00 ? 21 CYS A HA 20 ATOM 12623 H HB2 . CYS A 1 21 ? 0.804 7.782 -18.122 1.00 0.00 ? 21 CYS A HB2 20 ATOM 12624 H HB3 . CYS A 1 21 ? 1.346 7.949 -16.455 1.00 0.00 ? 21 CYS A HB3 20 ATOM 12625 N N . ASP A 1 22 ? 3.554 6.827 -17.481 1.00 0.00 ? 22 ASP A N 20 ATOM 12626 C CA . ASP A 1 22 ? 4.364 5.656 -17.793 1.00 0.00 ? 22 ASP A CA 20 ATOM 12627 C C . ASP A 1 22 ? 3.899 4.444 -16.992 1.00 0.00 ? 22 ASP A C 20 ATOM 12628 O O . ASP A 1 22 ? 3.243 3.549 -17.525 1.00 0.00 ? 22 ASP A O 20 ATOM 12629 C CB . ASP A 1 22 ? 5.839 5.938 -17.506 1.00 0.00 ? 22 ASP A CB 20 ATOM 12630 C CG . ASP A 1 22 ? 6.660 6.077 -18.773 1.00 0.00 ? 22 ASP A CG 20 ATOM 12631 O OD1 . ASP A 1 22 ? 6.523 7.112 -19.457 1.00 0.00 ? 22 ASP A OD1 20 ATOM 12632 O OD2 . ASP A 1 22 ? 7.439 5.150 -19.080 1.00 0.00 ? 22 ASP A OD2 20 ATOM 12633 H H . ASP A 1 22 ? 3.089 6.871 -16.618 1.00 0.00 ? 22 ASP A H 20 ATOM 12634 H HA . ASP A 1 22 ? 4.246 5.442 -18.845 1.00 0.00 ? 22 ASP A HA 20 ATOM 12635 H HB2 . ASP A 1 22 ? 5.920 6.857 -16.944 1.00 0.00 ? 22 ASP A HB2 20 ATOM 12636 H HB3 . ASP A 1 22 ? 6.247 5.126 -16.921 1.00 0.00 ? 22 ASP A HB3 20 ATOM 12637 N N . TYR A 1 23 ? 4.244 4.422 -15.709 1.00 0.00 ? 23 TYR A N 20 ATOM 12638 C CA . TYR A 1 23 ? 3.865 3.318 -14.835 1.00 0.00 ? 23 TYR A CA 20 ATOM 12639 C C . TYR A 1 23 ? 2.350 3.245 -14.675 1.00 0.00 ? 23 TYR A C 20 ATOM 12640 O O . TYR A 1 23 ? 1.795 2.184 -14.392 1.00 0.00 ? 23 TYR A O 20 ATOM 12641 C CB . TYR A 1 23 ? 4.527 3.475 -13.465 1.00 0.00 ? 23 TYR A CB 20 ATOM 12642 C CG . TYR A 1 23 ? 5.990 3.849 -13.539 1.00 0.00 ? 23 TYR A CG 20 ATOM 12643 C CD1 . TYR A 1 23 ? 6.886 3.086 -14.277 1.00 0.00 ? 23 TYR A CD1 20 ATOM 12644 C CD2 . TYR A 1 23 ? 6.477 4.965 -12.869 1.00 0.00 ? 23 TYR A CD2 20 ATOM 12645 C CE1 . TYR A 1 23 ? 8.224 3.423 -14.347 1.00 0.00 ? 23 TYR A CE1 20 ATOM 12646 C CE2 . TYR A 1 23 ? 7.813 5.310 -12.934 1.00 0.00 ? 23 TYR A CE2 20 ATOM 12647 C CZ . TYR A 1 23 ? 8.683 4.536 -13.674 1.00 0.00 ? 23 TYR A CZ 20 ATOM 12648 O OH . TYR A 1 23 ? 10.014 4.876 -13.741 1.00 0.00 ? 23 TYR A OH 20 ATOM 12649 H H . TYR A 1 23 ? 4.767 5.164 -15.342 1.00 0.00 ? 23 TYR A H 20 ATOM 12650 H HA . TYR A 1 23 ? 4.212 2.401 -15.288 1.00 0.00 ? 23 TYR A HA 20 ATOM 12651 H HB2 . TYR A 1 23 ? 4.016 4.248 -12.912 1.00 0.00 ? 23 TYR A HB2 20 ATOM 12652 H HB3 . TYR A 1 23 ? 4.450 2.542 -12.926 1.00 0.00 ? 23 TYR A HB3 20 ATOM 12653 H HD1 . TYR A 1 23 ? 6.524 2.214 -14.803 1.00 0.00 ? 23 TYR A HD1 20 ATOM 12654 H HD2 . TYR A 1 23 ? 5.794 5.569 -12.290 1.00 0.00 ? 23 TYR A HD2 20 ATOM 12655 H HE1 . TYR A 1 23 ? 8.905 2.817 -14.927 1.00 0.00 ? 23 TYR A HE1 20 ATOM 12656 H HE2 . TYR A 1 23 ? 8.173 6.182 -12.407 1.00 0.00 ? 23 TYR A HE2 20 ATOM 12657 H HH . TYR A 1 23 ? 10.219 5.197 -14.622 1.00 0.00 ? 23 TYR A HH 20 ATOM 12658 N N . MET A 1 24 ? 1.687 4.382 -14.858 1.00 0.00 ? 24 MET A N 20 ATOM 12659 C CA . MET A 1 24 ? 0.235 4.448 -14.736 1.00 0.00 ? 24 MET A CA 20 ATOM 12660 C C . MET A 1 24 ? -0.439 3.580 -15.794 1.00 0.00 ? 24 MET A C 20 ATOM 12661 O O . MET A 1 24 ? -1.390 2.855 -15.501 1.00 0.00 ? 24 MET A O 20 ATOM 12662 C CB . MET A 1 24 ? -0.244 5.895 -14.866 1.00 0.00 ? 24 MET A CB 20 ATOM 12663 C CG . MET A 1 24 ? 0.061 6.748 -13.645 1.00 0.00 ? 24 MET A CG 20 ATOM 12664 S SD . MET A 1 24 ? 1.690 7.516 -13.724 1.00 0.00 ? 24 MET A SD 20 ATOM 12665 C CE . MET A 1 24 ? 2.628 6.431 -12.651 1.00 0.00 ? 24 MET A CE 20 ATOM 12666 H H . MET A 1 24 ? 2.185 5.196 -15.082 1.00 0.00 ? 24 MET A H 20 ATOM 12667 H HA . MET A 1 24 ? -0.032 4.076 -13.758 1.00 0.00 ? 24 MET A HA 20 ATOM 12668 H HB2 . MET A 1 24 ? 0.236 6.346 -15.722 1.00 0.00 ? 24 MET A HB2 20 ATOM 12669 H HB3 . MET A 1 24 ? -1.313 5.896 -15.020 1.00 0.00 ? 24 MET A HB3 20 ATOM 12670 H HG2 . MET A 1 24 ? -0.684 7.526 -13.570 1.00 0.00 ? 24 MET A HG2 20 ATOM 12671 H HG3 . MET A 1 24 ? 0.015 6.123 -12.766 1.00 0.00 ? 24 MET A HG3 20 ATOM 12672 H HE1 . MET A 1 24 ? 3.648 6.371 -13.003 1.00 0.00 ? 24 MET A HE1 20 ATOM 12673 H HE2 . MET A 1 24 ? 2.618 6.823 -11.644 1.00 0.00 ? 24 MET A HE2 20 ATOM 12674 H HE3 . MET A 1 24 ? 2.185 5.447 -12.658 1.00 0.00 ? 24 MET A HE3 20 ATOM 12675 N N . TYR A 1 25 ? 0.058 3.660 -17.023 1.00 0.00 ? 25 TYR A N 20 ATOM 12676 C CA . TYR A 1 25 ? -0.498 2.883 -18.124 1.00 0.00 ? 25 TYR A CA 20 ATOM 12677 C C . TYR A 1 25 ? -0.247 1.392 -17.921 1.00 0.00 ? 25 TYR A C 20 ATOM 12678 O O . TYR A 1 25 ? -0.793 0.556 -18.641 1.00 0.00 ? 25 TYR A O 20 ATOM 12679 C CB . TYR A 1 25 ? 0.108 3.338 -19.453 1.00 0.00 ? 25 TYR A CB 20 ATOM 12680 C CG . TYR A 1 25 ? -0.501 4.612 -19.992 1.00 0.00 ? 25 TYR A CG 20 ATOM 12681 C CD1 . TYR A 1 25 ? -0.500 5.779 -19.237 1.00 0.00 ? 25 TYR A CD1 20 ATOM 12682 C CD2 . TYR A 1 25 ? -1.078 4.650 -21.255 1.00 0.00 ? 25 TYR A CD2 20 ATOM 12683 C CE1 . TYR A 1 25 ? -1.055 6.946 -19.725 1.00 0.00 ? 25 TYR A CE1 20 ATOM 12684 C CE2 . TYR A 1 25 ? -1.635 5.813 -21.752 1.00 0.00 ? 25 TYR A CE2 20 ATOM 12685 C CZ . TYR A 1 25 ? -1.621 6.958 -20.983 1.00 0.00 ? 25 TYR A CZ 20 ATOM 12686 O OH . TYR A 1 25 ? -2.176 8.118 -21.473 1.00 0.00 ? 25 TYR A OH 20 ATOM 12687 H H . TYR A 1 25 ? 0.817 4.256 -17.194 1.00 0.00 ? 25 TYR A H 20 ATOM 12688 H HA . TYR A 1 25 ? -1.564 3.058 -18.148 1.00 0.00 ? 25 TYR A HA 20 ATOM 12689 H HB2 . TYR A 1 25 ? 1.165 3.506 -19.320 1.00 0.00 ? 25 TYR A HB2 20 ATOM 12690 H HB3 . TYR A 1 25 ? -0.038 2.562 -20.191 1.00 0.00 ? 25 TYR A HB3 20 ATOM 12691 H HD1 . TYR A 1 25 ? -0.056 5.766 -18.252 1.00 0.00 ? 25 TYR A HD1 20 ATOM 12692 H HD2 . TYR A 1 25 ? -1.088 3.751 -21.855 1.00 0.00 ? 25 TYR A HD2 20 ATOM 12693 H HE1 . TYR A 1 25 ? -1.044 7.843 -19.123 1.00 0.00 ? 25 TYR A HE1 20 ATOM 12694 H HE2 . TYR A 1 25 ? -2.078 5.823 -22.736 1.00 0.00 ? 25 TYR A HE2 20 ATOM 12695 H HH . TYR A 1 25 ? -1.549 8.839 -21.374 1.00 0.00 ? 25 TYR A HH 20 ATOM 12696 N N . SER A 1 26 ? 0.582 1.067 -16.935 1.00 0.00 ? 26 SER A N 20 ATOM 12697 C CA . SER A 1 26 ? 0.909 -0.322 -16.638 1.00 0.00 ? 26 SER A CA 20 ATOM 12698 C C . SER A 1 26 ? -0.127 -0.936 -15.701 1.00 0.00 ? 26 SER A C 20 ATOM 12699 O O . SER A 1 26 ? 0.188 -1.814 -14.897 1.00 0.00 ? 26 SER A O 20 ATOM 12700 C CB . SER A 1 26 ? 2.301 -0.418 -16.010 1.00 0.00 ? 26 SER A CB 20 ATOM 12701 O OG . SER A 1 26 ? 2.741 -1.763 -15.948 1.00 0.00 ? 26 SER A OG 20 ATOM 12702 H H . SER A 1 26 ? 0.986 1.780 -16.396 1.00 0.00 ? 26 SER A H 20 ATOM 12703 H HA . SER A 1 26 ? 0.905 -0.870 -17.568 1.00 0.00 ? 26 SER A HA 20 ATOM 12704 H HB2 . SER A 1 26 ? 3.001 0.150 -16.604 1.00 0.00 ? 26 SER A HB2 20 ATOM 12705 H HB3 . SER A 1 26 ? 2.269 -0.015 -15.008 1.00 0.00 ? 26 SER A HB3 20 ATOM 12706 H HG . SER A 1 26 ? 2.776 -2.130 -16.834 1.00 0.00 ? 26 SER A HG 20 ATOM 12707 N N . HIS A 1 27 ? -1.366 -0.466 -15.810 1.00 0.00 ? 27 HIS A N 20 ATOM 12708 C CA . HIS A 1 27 ? -2.450 -0.968 -14.973 1.00 0.00 ? 27 HIS A CA 20 ATOM 12709 C C . HIS A 1 27 ? -2.093 -0.852 -13.494 1.00 0.00 ? 27 HIS A C 20 ATOM 12710 O O . HIS A 1 27 ? -2.195 -1.822 -12.742 1.00 0.00 ? 27 HIS A O 20 ATOM 12711 C CB . HIS A 1 27 ? -2.760 -2.423 -15.322 1.00 0.00 ? 27 HIS A CB 20 ATOM 12712 C CG . HIS A 1 27 ? -3.686 -2.575 -16.490 1.00 0.00 ? 27 HIS A CG 20 ATOM 12713 N ND1 . HIS A 1 27 ? -3.264 -2.501 -17.800 1.00 0.00 ? 27 HIS A ND1 20 ATOM 12714 C CD2 . HIS A 1 27 ? -5.020 -2.799 -16.538 1.00 0.00 ? 27 HIS A CD2 20 ATOM 12715 C CE1 . HIS A 1 27 ? -4.298 -2.671 -18.604 1.00 0.00 ? 27 HIS A CE1 20 ATOM 12716 N NE2 . HIS A 1 27 ? -5.376 -2.855 -17.863 1.00 0.00 ? 27 HIS A NE2 20 ATOM 12717 H H . HIS A 1 27 ? -1.555 0.234 -16.468 1.00 0.00 ? 27 HIS A H 20 ATOM 12718 H HA . HIS A 1 27 ? -3.325 -0.366 -15.167 1.00 0.00 ? 27 HIS A HA 20 ATOM 12719 H HB2 . HIS A 1 27 ? -1.839 -2.933 -15.562 1.00 0.00 ? 27 HIS A HB2 20 ATOM 12720 H HB3 . HIS A 1 27 ? -3.219 -2.902 -14.469 1.00 0.00 ? 27 HIS A HB3 20 ATOM 12721 H HD1 . HIS A 1 27 ? -2.343 -2.345 -18.096 1.00 0.00 ? 27 HIS A HD1 20 ATOM 12722 H HD2 . HIS A 1 27 ? -5.683 -2.913 -15.692 1.00 0.00 ? 27 HIS A HD2 20 ATOM 12723 H HE1 . HIS A 1 27 ? -4.268 -2.663 -19.683 1.00 0.00 ? 27 HIS A HE1 20 ATOM 12724 N N . CYS A 1 28 ? -1.674 0.340 -13.083 1.00 0.00 ? 28 CYS A N 20 ATOM 12725 C CA . CYS A 1 28 ? -1.300 0.583 -11.695 1.00 0.00 ? 28 CYS A CA 20 ATOM 12726 C C . CYS A 1 28 ? -2.234 1.604 -11.051 1.00 0.00 ? 28 CYS A C 20 ATOM 12727 O O . CYS A 1 28 ? -2.320 1.697 -9.826 1.00 0.00 ? 28 CYS A O 20 ATOM 12728 C CB . CYS A 1 28 ? 0.146 1.076 -11.613 1.00 0.00 ? 28 CYS A CB 20 ATOM 12729 S SG . CYS A 1 28 ? 1.058 0.464 -10.159 1.00 0.00 ? 28 CYS A SG 20 ATOM 12730 H H . CYS A 1 28 ? -1.614 1.075 -13.730 1.00 0.00 ? 28 CYS A H 20 ATOM 12731 H HA . CYS A 1 28 ? -1.384 -0.351 -11.160 1.00 0.00 ? 28 CYS A HA 20 ATOM 12732 H HB2 . CYS A 1 28 ? 0.679 0.752 -12.495 1.00 0.00 ? 28 CYS A HB2 20 ATOM 12733 H HB3 . CYS A 1 28 ? 0.149 2.155 -11.573 1.00 0.00 ? 28 CYS A HB3 20 ATOM 12734 N N . PHE A 1 29 ? -2.933 2.367 -11.885 1.00 0.00 ? 29 PHE A N 20 ATOM 12735 C CA . PHE A 1 29 ? -3.860 3.381 -11.398 1.00 0.00 ? 29 PHE A CA 20 ATOM 12736 C C . PHE A 1 29 ? -5.287 3.072 -11.843 1.00 0.00 ? 29 PHE A C 20 ATOM 12737 O O . PHE A 1 29 ? -6.252 3.468 -11.190 1.00 0.00 ? 29 PHE A O 20 ATOM 12738 C CB . PHE A 1 29 ? -3.446 4.765 -11.901 1.00 0.00 ? 29 PHE A CB 20 ATOM 12739 C CG . PHE A 1 29 ? -2.316 5.374 -11.120 1.00 0.00 ? 29 PHE A CG 20 ATOM 12740 C CD1 . PHE A 1 29 ? -1.116 4.697 -10.971 1.00 0.00 ? 29 PHE A CD1 20 ATOM 12741 C CD2 . PHE A 1 29 ? -2.455 6.622 -10.535 1.00 0.00 ? 29 PHE A CD2 20 ATOM 12742 C CE1 . PHE A 1 29 ? -0.076 5.255 -10.252 1.00 0.00 ? 29 PHE A CE1 20 ATOM 12743 C CE2 . PHE A 1 29 ? -1.417 7.184 -9.815 1.00 0.00 ? 29 PHE A CE2 20 ATOM 12744 C CZ . PHE A 1 29 ? -0.226 6.500 -9.675 1.00 0.00 ? 29 PHE A CZ 20 ATOM 12745 H H . PHE A 1 29 ? -2.822 2.245 -12.852 1.00 0.00 ? 29 PHE A H 20 ATOM 12746 H HA . PHE A 1 29 ? -3.823 3.373 -10.320 1.00 0.00 ? 29 PHE A HA 20 ATOM 12747 H HB2 . PHE A 1 29 ? -3.132 4.687 -12.931 1.00 0.00 ? 29 PHE A HB2 20 ATOM 12748 H HB3 . PHE A 1 29 ? -4.292 5.432 -11.837 1.00 0.00 ? 29 PHE A HB3 20 ATOM 12749 H HD1 . PHE A 1 29 ? -0.997 3.724 -11.424 1.00 0.00 ? 29 PHE A HD1 20 ATOM 12750 H HD2 . PHE A 1 29 ? -3.387 7.159 -10.644 1.00 0.00 ? 29 PHE A HD2 20 ATOM 12751 H HE1 . PHE A 1 29 ? 0.855 4.718 -10.144 1.00 0.00 ? 29 PHE A HE1 20 ATOM 12752 H HE2 . PHE A 1 29 ? -1.539 8.158 -9.365 1.00 0.00 ? 29 PHE A HE2 20 ATOM 12753 H HZ . PHE A 1 29 ? 0.585 6.937 -9.112 1.00 0.00 ? 29 PHE A HZ 20 ATOM 12754 N N . GLY A 1 30 ? -5.412 2.362 -12.960 1.00 0.00 ? 30 GLY A N 20 ATOM 12755 C CA . GLY A 1 30 ? -6.723 2.013 -13.475 1.00 0.00 ? 30 GLY A CA 20 ATOM 12756 C C . GLY A 1 30 ? -7.211 2.986 -14.529 1.00 0.00 ? 30 GLY A C 20 ATOM 12757 O O . GLY A 1 30 ? -8.414 3.196 -14.681 1.00 0.00 ? 30 GLY A O 20 ATOM 12758 H H . GLY A 1 30 ? -4.607 2.074 -13.439 1.00 0.00 ? 30 GLY A H 20 ATOM 12759 H HA2 . GLY A 1 30 ? -6.676 1.024 -13.906 1.00 0.00 ? 30 GLY A HA2 20 ATOM 12760 H HA3 . GLY A 1 30 ? -7.428 2.004 -12.656 1.00 0.00 ? 30 GLY A HA3 20 ATOM 12761 N N . VAL A 1 31 ? -6.274 3.585 -15.258 1.00 0.00 ? 31 VAL A N 20 ATOM 12762 C CA . VAL A 1 31 ? -6.615 4.542 -16.304 1.00 0.00 ? 31 VAL A CA 20 ATOM 12763 C C . VAL A 1 31 ? -6.514 3.907 -17.686 1.00 0.00 ? 31 VAL A C 20 ATOM 12764 O O . VAL A 1 31 ? -7.294 4.221 -18.585 1.00 0.00 ? 31 VAL A O 20 ATOM 12765 C CB . VAL A 1 31 ? -5.700 5.780 -16.251 1.00 0.00 ? 31 VAL A CB 20 ATOM 12766 C CG1 . VAL A 1 31 ? -5.903 6.540 -14.950 1.00 0.00 ? 31 VAL A CG1 20 ATOM 12767 C CG2 . VAL A 1 31 ? -4.244 5.372 -16.418 1.00 0.00 ? 31 VAL A CG2 20 ATOM 12768 H H . VAL A 1 31 ? -5.332 3.376 -15.090 1.00 0.00 ? 31 VAL A H 20 ATOM 12769 H HA . VAL A 1 31 ? -7.633 4.866 -16.141 1.00 0.00 ? 31 VAL A HA 20 ATOM 12770 H HB . VAL A 1 31 ? -5.965 6.433 -17.070 1.00 0.00 ? 31 VAL A HB 20 ATOM 12771 H HG11 . VAL A 1 31 ? -5.513 7.542 -15.054 1.00 0.00 ? 31 VAL A HG11 20 ATOM 12772 H HG12 . VAL A 1 31 ? -6.958 6.585 -14.720 1.00 0.00 ? 31 VAL A HG12 20 ATOM 12773 H HG13 . VAL A 1 31 ? -5.381 6.033 -14.152 1.00 0.00 ? 31 VAL A HG13 20 ATOM 12774 H HG21 . VAL A 1 31 ? -3.613 6.243 -16.327 1.00 0.00 ? 31 VAL A HG21 20 ATOM 12775 H HG22 . VAL A 1 31 ? -3.981 4.655 -15.654 1.00 0.00 ? 31 VAL A HG22 20 ATOM 12776 H HG23 . VAL A 1 31 ? -4.103 4.927 -17.393 1.00 0.00 ? 31 VAL A HG23 20 ATOM 12777 N N . LYS A 1 32 ? -5.547 3.010 -17.849 1.00 0.00 ? 32 LYS A N 20 ATOM 12778 C CA . LYS A 1 32 ? -5.343 2.327 -19.121 1.00 0.00 ? 32 LYS A CA 20 ATOM 12779 C C . LYS A 1 32 ? -6.637 1.680 -19.605 1.00 0.00 ? 32 LYS A C 20 ATOM 12780 O O . LYS A 1 32 ? -7.248 0.882 -18.893 1.00 0.00 ? 32 LYS A O 20 ATOM 12781 C CB . LYS A 1 32 ? -4.250 1.265 -18.983 1.00 0.00 ? 32 LYS A CB 20 ATOM 12782 C CG . LYS A 1 32 ? -4.206 0.284 -20.142 1.00 0.00 ? 32 LYS A CG 20 ATOM 12783 C CD . LYS A 1 32 ? -3.953 0.991 -21.463 1.00 0.00 ? 32 LYS A CD 20 ATOM 12784 C CE . LYS A 1 32 ? -2.541 1.552 -21.533 1.00 0.00 ? 32 LYS A CE 20 ATOM 12785 N NZ . LYS A 1 32 ? -2.085 1.730 -22.940 1.00 0.00 ? 32 LYS A NZ 20 ATOM 12786 H H . LYS A 1 32 ? -4.957 2.801 -17.094 1.00 0.00 ? 32 LYS A H 20 ATOM 12787 H HA . LYS A 1 32 ? -5.030 3.062 -19.846 1.00 0.00 ? 32 LYS A HA 20 ATOM 12788 H HB2 . LYS A 1 32 ? -3.291 1.759 -18.920 1.00 0.00 ? 32 LYS A HB2 20 ATOM 12789 H HB3 . LYS A 1 32 ? -4.419 0.708 -18.073 1.00 0.00 ? 32 LYS A HB3 20 ATOM 12790 H HG2 . LYS A 1 32 ? -3.412 -0.428 -19.969 1.00 0.00 ? 32 LYS A HG2 20 ATOM 12791 H HG3 . LYS A 1 32 ? -5.152 -0.236 -20.197 1.00 0.00 ? 32 LYS A HG3 20 ATOM 12792 H HD2 . LYS A 1 32 ? -4.090 0.287 -22.270 1.00 0.00 ? 32 LYS A HD2 20 ATOM 12793 H HD3 . LYS A 1 32 ? -4.659 1.803 -21.567 1.00 0.00 ? 32 LYS A HD3 20 ATOM 12794 H HE2 . LYS A 1 32 ? -2.522 2.508 -21.034 1.00 0.00 ? 32 LYS A HE2 20 ATOM 12795 H HE3 . LYS A 1 32 ? -1.872 0.870 -21.030 1.00 0.00 ? 32 LYS A HE3 20 ATOM 12796 H HZ1 . LYS A 1 32 ? -2.448 2.626 -23.323 1.00 0.00 ? 32 LYS A HZ1 20 ATOM 12797 H HZ2 . LYS A 1 32 ? -2.433 0.947 -23.529 1.00 0.00 ? 32 LYS A HZ2 20 ATOM 12798 H HZ3 . LYS A 1 32 ? -1.046 1.744 -22.979 1.00 0.00 ? 32 LYS A HZ3 20 ATOM 12799 N N . HIS A 1 33 ? -7.049 2.028 -20.820 1.00 0.00 ? 33 HIS A N 20 ATOM 12800 C CA . HIS A 1 33 ? -8.270 1.479 -21.399 1.00 0.00 ? 33 HIS A CA 20 ATOM 12801 C C . HIS A 1 33 ? -8.133 -0.023 -21.633 1.00 0.00 ? 33 HIS A C 20 ATOM 12802 O O . HIS A 1 33 ? -7.063 -0.598 -21.429 1.00 0.00 ? 33 HIS A O 20 ATOM 12803 C CB . HIS A 1 33 ? -8.596 2.184 -22.716 1.00 0.00 ? 33 HIS A CB 20 ATOM 12804 C CG . HIS A 1 33 ? -9.200 3.542 -22.535 1.00 0.00 ? 33 HIS A CG 20 ATOM 12805 N ND1 . HIS A 1 33 ? -8.457 4.704 -22.548 1.00 0.00 ? 33 HIS A ND1 20 ATOM 12806 C CD2 . HIS A 1 33 ? -10.484 3.921 -22.336 1.00 0.00 ? 33 HIS A CD2 20 ATOM 12807 C CE1 . HIS A 1 33 ? -9.259 5.738 -22.364 1.00 0.00 ? 33 HIS A CE1 20 ATOM 12808 N NE2 . HIS A 1 33 ? -10.494 5.290 -22.233 1.00 0.00 ? 33 HIS A NE2 20 ATOM 12809 H H . HIS A 1 33 ? -6.519 2.668 -21.339 1.00 0.00 ? 33 HIS A H 20 ATOM 12810 H HA . HIS A 1 33 ? -9.074 1.649 -20.701 1.00 0.00 ? 33 HIS A HA 20 ATOM 12811 H HB2 . HIS A 1 33 ? -7.688 2.299 -23.290 1.00 0.00 ? 33 HIS A HB2 20 ATOM 12812 H HB3 . HIS A 1 33 ? -9.296 1.580 -23.276 1.00 0.00 ? 33 HIS A HB3 20 ATOM 12813 H HD1 . HIS A 1 33 ? -7.487 4.762 -22.672 1.00 0.00 ? 33 HIS A HD1 20 ATOM 12814 H HD2 . HIS A 1 33 ? -11.343 3.267 -22.270 1.00 0.00 ? 33 HIS A HD2 20 ATOM 12815 H HE1 . HIS A 1 33 ? -8.956 6.774 -22.328 1.00 0.00 ? 33 HIS A HE1 20 ATOM 12816 N N . SER A 1 34 ? -9.222 -0.652 -22.060 1.00 0.00 ? 34 SER A N 20 ATOM 12817 C CA . SER A 1 34 ? -9.225 -2.088 -22.317 1.00 0.00 ? 34 SER A CA 20 ATOM 12818 C C . SER A 1 34 ? -8.238 -2.443 -23.425 1.00 0.00 ? 34 SER A C 20 ATOM 12819 O O . SER A 1 34 ? -7.314 -3.229 -23.220 1.00 0.00 ? 34 SER A O 20 ATOM 12820 C CB . SER A 1 34 ? -10.630 -2.556 -22.700 1.00 0.00 ? 34 SER A CB 20 ATOM 12821 O OG . SER A 1 34 ? -10.782 -3.948 -22.477 1.00 0.00 ? 34 SER A OG 20 ATOM 12822 H H . SER A 1 34 ? -10.045 -0.139 -22.204 1.00 0.00 ? 34 SER A H 20 ATOM 12823 H HA . SER A 1 34 ? -8.923 -2.587 -21.409 1.00 0.00 ? 34 SER A HA 20 ATOM 12824 H HB2 . SER A 1 34 ? -11.358 -2.027 -22.104 1.00 0.00 ? 34 SER A HB2 20 ATOM 12825 H HB3 . SER A 1 34 ? -10.802 -2.350 -23.747 1.00 0.00 ? 34 SER A HB3 20 ATOM 12826 H HG . SER A 1 34 ? -11.202 -4.350 -23.241 1.00 0.00 ? 34 SER A HG 20 ATOM 12827 N N . SER A 1 35 ? -8.443 -1.858 -24.601 1.00 0.00 ? 35 SER A N 20 ATOM 12828 C CA . SER A 1 35 ? -7.574 -2.115 -25.744 1.00 0.00 ? 35 SER A CA 20 ATOM 12829 C C . SER A 1 35 ? -6.301 -1.279 -25.658 1.00 0.00 ? 35 SER A C 20 ATOM 12830 O O . SER A 1 35 ? -6.273 -0.124 -26.079 1.00 0.00 ? 35 SER A O 20 ATOM 12831 C CB . SER A 1 35 ? -8.311 -1.809 -27.050 1.00 0.00 ? 35 SER A CB 20 ATOM 12832 O OG . SER A 1 35 ? -9.082 -0.626 -26.935 1.00 0.00 ? 35 SER A OG 20 ATOM 12833 H H . SER A 1 35 ? -9.197 -1.240 -24.703 1.00 0.00 ? 35 SER A H 20 ATOM 12834 H HA . SER A 1 35 ? -7.306 -3.161 -25.728 1.00 0.00 ? 35 SER A HA 20 ATOM 12835 H HB2 . SER A 1 35 ? -7.592 -1.680 -27.844 1.00 0.00 ? 35 SER A HB2 20 ATOM 12836 H HB3 . SER A 1 35 ? -8.969 -2.632 -27.290 1.00 0.00 ? 35 SER A HB3 20 ATOM 12837 H HG . SER A 1 35 ? -8.499 0.127 -26.815 1.00 0.00 ? 35 SER A HG 20 ATOM 12838 N N . GLY A 1 36 ? -5.247 -1.873 -25.107 1.00 0.00 ? 36 GLY A N 20 ATOM 12839 C CA . GLY A 1 36 ? -3.984 -1.170 -24.974 1.00 0.00 ? 36 GLY A CA 20 ATOM 12840 C C . GLY A 1 36 ? -2.794 -2.046 -25.313 1.00 0.00 ? 36 GLY A C 20 ATOM 12841 O O . GLY A 1 36 ? -2.282 -2.004 -26.431 1.00 0.00 ? 36 GLY A O 20 ATOM 12842 H H . GLY A 1 36 ? -5.327 -2.797 -24.788 1.00 0.00 ? 36 GLY A H 20 ATOM 12843 H HA2 . GLY A 1 36 ? -3.989 -0.316 -25.635 1.00 0.00 ? 36 GLY A HA2 20 ATOM 12844 H HA3 . GLY A 1 36 ? -3.883 -0.825 -23.956 1.00 0.00 ? 36 GLY A HA3 20 ATOM 12845 N N . GLY A 1 37 ? -2.352 -2.842 -24.344 1.00 0.00 ? 37 GLY A N 20 ATOM 12846 C CA . GLY A 1 37 ? -1.216 -3.719 -24.565 1.00 0.00 ? 37 GLY A CA 20 ATOM 12847 C C . GLY A 1 37 ? -0.253 -3.725 -23.395 1.00 0.00 ? 37 GLY A C 20 ATOM 12848 O O . GLY A 1 37 ? -0.609 -3.330 -22.286 1.00 0.00 ? 37 GLY A O 20 ATOM 12849 H H . GLY A 1 37 ? -2.799 -2.833 -23.472 1.00 0.00 ? 37 GLY A H 20 ATOM 12850 H HA2 . GLY A 1 37 ? -1.578 -4.723 -24.726 1.00 0.00 ? 37 GLY A HA2 20 ATOM 12851 H HA3 . GLY A 1 37 ? -0.689 -3.390 -25.449 1.00 0.00 ? 37 GLY A HA3 20 ATOM 12852 N N . GLY A 1 38 ? 0.973 -4.177 -23.642 1.00 0.00 ? 38 GLY A N 20 ATOM 12853 C CA . GLY A 1 38 ? 1.972 -4.227 -22.591 1.00 0.00 ? 38 GLY A CA 20 ATOM 12854 C C . GLY A 1 38 ? 2.041 -5.585 -21.921 1.00 0.00 ? 38 GLY A C 20 ATOM 12855 O O . GLY A 1 38 ? 1.153 -6.418 -22.097 1.00 0.00 ? 38 GLY A O 20 ATOM 12856 H H . GLY A 1 38 ? 1.201 -4.479 -24.547 1.00 0.00 ? 38 GLY A H 20 ATOM 12857 H HA2 . GLY A 1 38 ? 2.937 -3.996 -23.015 1.00 0.00 ? 38 GLY A HA2 20 ATOM 12858 H HA3 . GLY A 1 38 ? 1.730 -3.483 -21.845 1.00 0.00 ? 38 GLY A HA3 20 ATOM 12859 N N . GLY A 1 39 ? 3.103 -5.811 -21.152 1.00 0.00 ? 39 GLY A N 20 ATOM 12860 C CA . GLY A 1 39 ? 3.266 -7.080 -20.468 1.00 0.00 ? 39 GLY A CA 20 ATOM 12861 C C . GLY A 1 39 ? 4.080 -6.951 -19.195 1.00 0.00 ? 39 GLY A C 20 ATOM 12862 O O . GLY A 1 39 ? 5.310 -6.989 -19.231 1.00 0.00 ? 39 GLY A O 20 ATOM 12863 H H . GLY A 1 39 ? 3.780 -5.110 -21.049 1.00 0.00 ? 39 GLY A H 20 ATOM 12864 H HA2 . GLY A 1 39 ? 2.291 -7.472 -20.221 1.00 0.00 ? 39 GLY A HA2 20 ATOM 12865 H HA3 . GLY A 1 39 ? 3.764 -7.772 -21.131 1.00 0.00 ? 39 GLY A HA3 20 ATOM 12866 N N . SER A 1 40 ? 3.393 -6.798 -18.068 1.00 0.00 ? 40 SER A N 20 ATOM 12867 C CA . SER A 1 40 ? 4.060 -6.658 -16.779 1.00 0.00 ? 40 SER A CA 20 ATOM 12868 C C . SER A 1 40 ? 3.307 -7.419 -15.692 1.00 0.00 ? 40 SER A C 20 ATOM 12869 O O . SER A 1 40 ? 2.078 -7.492 -15.707 1.00 0.00 ? 40 SER A O 20 ATOM 12870 C CB . SER A 1 40 ? 4.174 -5.180 -16.398 1.00 0.00 ? 40 SER A CB 20 ATOM 12871 O OG . SER A 1 40 ? 4.485 -5.031 -15.023 1.00 0.00 ? 40 SER A OG 20 ATOM 12872 H H . SER A 1 40 ? 2.414 -6.776 -18.105 1.00 0.00 ? 40 SER A H 20 ATOM 12873 H HA . SER A 1 40 ? 5.052 -7.074 -16.872 1.00 0.00 ? 40 SER A HA 20 ATOM 12874 H HB2 . SER A 1 40 ? 4.955 -4.719 -16.983 1.00 0.00 ? 40 SER A HB2 20 ATOM 12875 H HB3 . SER A 1 40 ? 3.234 -4.686 -16.598 1.00 0.00 ? 40 SER A HB3 20 ATOM 12876 H HG . SER A 1 40 ? 5.387 -5.317 -14.866 1.00 0.00 ? 40 SER A HG 20 ATOM 12877 N N . TYR A 1 41 ? 4.054 -7.984 -14.750 1.00 0.00 ? 41 TYR A N 20 ATOM 12878 C CA . TYR A 1 41 ? 3.458 -8.742 -13.655 1.00 0.00 ? 41 TYR A CA 20 ATOM 12879 C C . TYR A 1 41 ? 2.940 -7.809 -12.565 1.00 0.00 ? 41 TYR A C 20 ATOM 12880 O O . TYR A 1 41 ? 3.359 -6.655 -12.468 1.00 0.00 ? 41 TYR A O 20 ATOM 12881 C CB . TYR A 1 41 ? 4.481 -9.715 -13.066 1.00 0.00 ? 41 TYR A CB 20 ATOM 12882 C CG . TYR A 1 41 ? 3.859 -10.954 -12.462 1.00 0.00 ? 41 TYR A CG 20 ATOM 12883 C CD1 . TYR A 1 41 ? 3.479 -10.983 -11.125 1.00 0.00 ? 41 TYR A CD1 20 ATOM 12884 C CD2 . TYR A 1 41 ? 3.652 -12.095 -13.226 1.00 0.00 ? 41 TYR A CD2 20 ATOM 12885 C CE1 . TYR A 1 41 ? 2.912 -12.113 -10.569 1.00 0.00 ? 41 TYR A CE1 20 ATOM 12886 C CE2 . TYR A 1 41 ? 3.084 -13.229 -12.679 1.00 0.00 ? 41 TYR A CE2 20 ATOM 12887 C CZ . TYR A 1 41 ? 2.715 -13.233 -11.349 1.00 0.00 ? 41 TYR A CZ 20 ATOM 12888 O OH . TYR A 1 41 ? 2.150 -14.360 -10.800 1.00 0.00 ? 41 TYR A OH 20 ATOM 12889 H H . TYR A 1 41 ? 5.028 -7.891 -14.791 1.00 0.00 ? 41 TYR A H 20 ATOM 12890 H HA . TYR A 1 41 ? 2.628 -9.305 -14.055 1.00 0.00 ? 41 TYR A HA 20 ATOM 12891 H HB2 . TYR A 1 41 ? 5.158 -10.030 -13.844 1.00 0.00 ? 41 TYR A HB2 20 ATOM 12892 H HB3 . TYR A 1 41 ? 5.040 -9.212 -12.291 1.00 0.00 ? 41 TYR A HB3 20 ATOM 12893 H HD1 . TYR A 1 41 ? 3.634 -10.104 -10.516 1.00 0.00 ? 41 TYR A HD1 20 ATOM 12894 H HD2 . TYR A 1 41 ? 3.942 -12.088 -14.267 1.00 0.00 ? 41 TYR A HD2 20 ATOM 12895 H HE1 . TYR A 1 41 ? 2.623 -12.116 -9.528 1.00 0.00 ? 41 TYR A HE1 20 ATOM 12896 H HE2 . TYR A 1 41 ? 2.931 -14.106 -13.290 1.00 0.00 ? 41 TYR A HE2 20 ATOM 12897 H HH . TYR A 1 41 ? 1.785 -14.908 -11.498 1.00 0.00 ? 41 TYR A HH 20 ATOM 12898 N N . HIS A 1 42 ? 2.025 -8.317 -11.746 1.00 0.00 ? 42 HIS A N 20 ATOM 12899 C CA . HIS A 1 42 ? 1.449 -7.531 -10.660 1.00 0.00 ? 42 HIS A CA 20 ATOM 12900 C C . HIS A 1 42 ? 2.195 -7.782 -9.353 1.00 0.00 ? 42 HIS A C 20 ATOM 12901 O O . HIS A 1 42 ? 1.586 -7.866 -8.286 1.00 0.00 ? 42 HIS A O 20 ATOM 12902 C CB . HIS A 1 42 ? -0.032 -7.868 -10.489 1.00 0.00 ? 42 HIS A CB 20 ATOM 12903 C CG . HIS A 1 42 ? -0.904 -7.301 -11.567 1.00 0.00 ? 42 HIS A CG 20 ATOM 12904 N ND1 . HIS A 1 42 ? -1.150 -5.952 -11.704 1.00 0.00 ? 42 HIS A ND1 20 ATOM 12905 C CD2 . HIS A 1 42 ? -1.587 -7.910 -12.564 1.00 0.00 ? 42 HIS A CD2 20 ATOM 12906 C CE1 . HIS A 1 42 ? -1.949 -5.755 -12.738 1.00 0.00 ? 42 HIS A CE1 20 ATOM 12907 N NE2 . HIS A 1 42 ? -2.229 -6.928 -13.278 1.00 0.00 ? 42 HIS A NE2 20 ATOM 12908 H H . HIS A 1 42 ? 1.731 -9.243 -11.874 1.00 0.00 ? 42 HIS A H 20 ATOM 12909 H HA . HIS A 1 42 ? 1.545 -6.488 -10.920 1.00 0.00 ? 42 HIS A HA 20 ATOM 12910 H HB2 . HIS A 1 42 ? -0.154 -8.941 -10.495 1.00 0.00 ? 42 HIS A HB2 20 ATOM 12911 H HB3 . HIS A 1 42 ? -0.377 -7.476 -9.543 1.00 0.00 ? 42 HIS A HB3 20 ATOM 12912 H HD1 . HIS A 1 42 ? -0.794 -5.244 -11.129 1.00 0.00 ? 42 HIS A HD1 20 ATOM 12913 H HD2 . HIS A 1 42 ? -1.623 -8.973 -12.763 1.00 0.00 ? 42 HIS A HD2 20 ATOM 12914 H HE1 . HIS A 1 42 ? -2.311 -4.799 -13.084 1.00 0.00 ? 42 HIS A HE1 20 ATOM 12915 N N . CYS A 1 43 ? 3.515 -7.902 -9.444 1.00 0.00 ? 43 CYS A N 20 ATOM 12916 C CA . CYS A 1 43 ? 4.344 -8.145 -8.269 1.00 0.00 ? 43 CYS A CA 20 ATOM 12917 C C . CYS A 1 43 ? 4.107 -7.076 -7.206 1.00 0.00 ? 43 CYS A C 20 ATOM 12918 O O . CYS A 1 43 ? 4.491 -5.926 -7.411 1.00 0.00 ? 43 CYS A O 20 ATOM 12919 C CB . CYS A 1 43 ? 5.823 -8.171 -8.660 1.00 0.00 ? 43 CYS A CB 20 ATOM 12920 S SG . CYS A 1 43 ? 6.860 -9.206 -7.576 1.00 0.00 ? 43 CYS A SG 20 ATOM 12921 H H . CYS A 1 43 ? 3.943 -7.826 -10.323 1.00 0.00 ? 43 CYS A H 20 ATOM 12922 H HA . CYS A 1 43 ? 4.070 -9.106 -7.863 1.00 0.00 ? 43 CYS A HA 20 ATOM 12923 H HB2 . CYS A 1 43 ? 5.915 -8.556 -9.665 1.00 0.00 ? 43 CYS A HB2 20 ATOM 12924 H HB3 . CYS A 1 43 ? 6.214 -7.165 -8.627 1.00 0.00 ? 43 CYS A HB3 20 HETATM 12925 C C1 . NAG B 2 . ? 6.310 18.938 -20.509 1.00 0.00 ? 101 NAG A C1 20 HETATM 12926 C C2 . NAG B 2 . ? 6.640 19.932 -19.394 1.00 0.00 ? 101 NAG A C2 20 HETATM 12927 C C3 . NAG B 2 . ? 7.205 21.213 -20.015 1.00 0.00 ? 101 NAG A C3 20 HETATM 12928 C C4 . NAG B 2 . ? 8.378 20.840 -20.928 1.00 0.00 ? 101 NAG A C4 20 HETATM 12929 C C5 . NAG B 2 . ? 7.916 19.777 -21.927 1.00 0.00 ? 101 NAG A C5 20 HETATM 12930 C C6 . NAG B 2 . ? 9.074 19.423 -22.863 1.00 0.00 ? 101 NAG A C6 20 HETATM 12931 C C7 . NAG B 2 . ? 5.085 19.508 -17.567 1.00 0.00 ? 101 NAG A C7 20 HETATM 12932 C C8 . NAG B 2 . ? 3.834 19.832 -16.793 1.00 0.00 ? 101 NAG A C8 20 HETATM 12933 N N2 . NAG B 2 . ? 5.425 20.247 -18.642 1.00 0.00 ? 101 NAG A N2 20 HETATM 12934 O O3 . NAG B 2 . ? 7.660 22.094 -18.987 1.00 0.00 ? 101 NAG A O3 20 HETATM 12935 O O4 . NAG B 2 . ? 8.826 21.998 -21.635 1.00 0.00 ? 101 NAG A O4 20 HETATM 12936 O O5 . NAG B 2 . ? 7.495 18.608 -21.229 1.00 0.00 ? 101 NAG A O5 20 HETATM 12937 O O6 . NAG B 2 . ? 8.643 18.435 -23.801 1.00 0.00 ? 101 NAG A O6 20 HETATM 12938 O O7 . NAG B 2 . ? 5.787 18.581 -17.224 1.00 0.00 ? 101 NAG A O7 20 HETATM 12939 H H1 . NAG B 2 . ? 5.583 19.394 -21.197 1.00 0.00 ? 101 NAG A H1 20 HETATM 12940 H H2 . NAG B 2 . ? 7.384 19.490 -18.714 1.00 0.00 ? 101 NAG A H2 20 HETATM 12941 H H3 . NAG B 2 . ? 6.421 21.722 -20.596 1.00 0.00 ? 101 NAG A H3 20 HETATM 12942 H H4 . NAG B 2 . ? 9.207 20.446 -20.322 1.00 0.00 ? 101 NAG A H4 20 HETATM 12943 H H5 . NAG B 2 . ? 7.073 20.172 -22.514 1.00 0.00 ? 101 NAG A H5 20 HETATM 12944 H H61 . NAG B 2 . ? 9.419 20.323 -23.395 1.00 0.00 ? 101 NAG A H61 20 HETATM 12945 H H62 . NAG B 2 . ? 9.927 19.045 -22.281 1.00 0.00 ? 101 NAG A H62 20 HETATM 12946 H H81 . NAG B 2 . ? 3.991 20.753 -16.213 1.00 0.00 ? 101 NAG A H81 20 HETATM 12947 H H82 . NAG B 2 . ? 2.997 19.977 -17.491 1.00 0.00 ? 101 NAG A H82 20 HETATM 12948 H H83 . NAG B 2 . ? 3.600 19.003 -16.109 1.00 0.00 ? 101 NAG A H83 20 HETATM 12949 H HN2 . NAG B 2 . ? 4.846 21.011 -18.925 1.00 0.00 ? 101 NAG A HN2 20 HETATM 12950 H HO3 . NAG B 2 . ? 8.029 22.927 -19.399 1.00 0.00 ? 101 NAG A HO3 20 HETATM 12951 H HO4 . NAG B 2 . ? 9.805 21.917 -21.823 1.00 0.00 ? 101 NAG A HO4 20 HETATM 12952 H HO6 . NAG B 2 . ? 8.007 17.806 -23.354 1.00 0.00 ? 101 NAG A HO6 20 HETATM 12953 C C1 . NAG C 2 . ? 8.284 -8.941 -6.217 1.00 0.00 ? 102 NAG A C1 20 HETATM 12954 C C2 . NAG C 2 . ? 9.044 -8.937 -4.890 1.00 0.00 ? 102 NAG A C2 20 HETATM 12955 C C3 . NAG C 2 . ? 10.193 -7.926 -4.974 1.00 0.00 ? 102 NAG A C3 20 HETATM 12956 C C4 . NAG C 2 . ? 11.038 -8.247 -6.211 1.00 0.00 ? 102 NAG A C4 20 HETATM 12957 C C5 . NAG C 2 . ? 10.126 -8.304 -7.439 1.00 0.00 ? 102 NAG A C5 20 HETATM 12958 C C6 . NAG C 2 . ? 10.969 -8.592 -8.684 1.00 0.00 ? 102 NAG A C6 20 HETATM 12959 C C7 . NAG C 2 . ? 7.445 -9.503 -3.141 1.00 0.00 ? 102 NAG A C7 20 HETATM 12960 C C8 . NAG C 2 . ? 6.511 -9.112 -2.025 1.00 0.00 ? 102 NAG A C8 20 HETATM 12961 N N2 . NAG C 2 . ? 8.137 -8.556 -3.806 1.00 0.00 ? 102 NAG A N2 20 HETATM 12962 O O3 . NAG C 2 . ? 11.006 -8.015 -3.803 1.00 0.00 ? 102 NAG A O3 20 HETATM 12963 O O4 . NAG C 2 . ? 12.026 -7.232 -6.396 1.00 0.00 ? 102 NAG A O4 20 HETATM 12964 O O5 . NAG C 2 . ? 9.156 -9.336 -7.273 1.00 0.00 ? 102 NAG A O5 20 HETATM 12965 O O6 . NAG C 2 . ? 10.120 -8.640 -9.832 1.00 0.00 ? 102 NAG A O6 20 HETATM 12966 O O7 . NAG C 2 . ? 7.574 -10.671 -3.442 1.00 0.00 ? 102 NAG A O7 20 HETATM 12967 H H1 . NAG C 2 . ? 7.902 -7.930 -6.420 1.00 0.00 ? 102 NAG A H1 20 HETATM 12968 H H2 . NAG C 2 . ? 9.446 -9.941 -4.691 1.00 0.00 ? 102 NAG A H2 20 HETATM 12969 H H3 . NAG C 2 . ? 9.787 -6.907 -5.047 1.00 0.00 ? 102 NAG A H3 20 HETATM 12970 H H4 . NAG C 2 . ? 11.540 -9.217 -6.075 1.00 0.00 ? 102 NAG A H4 20 HETATM 12971 H H5 . NAG C 2 . ? 9.613 -7.339 -7.555 1.00 0.00 ? 102 NAG A H5 20 HETATM 12972 H H61 . NAG C 2 . ? 11.734 -7.812 -8.811 1.00 0.00 ? 102 NAG A H61 20 HETATM 12973 H H62 . NAG C 2 . ? 11.500 -9.549 -8.566 1.00 0.00 ? 102 NAG A H62 20 HETATM 12974 H H81 . NAG C 2 . ? 6.230 -8.055 -2.136 1.00 0.00 ? 102 NAG A H81 20 HETATM 12975 H H82 . NAG C 2 . ? 5.607 -9.737 -2.068 1.00 0.00 ? 102 NAG A H82 20 HETATM 12976 H H83 . NAG C 2 . ? 7.013 -9.259 -1.058 1.00 0.00 ? 102 NAG A H83 20 HETATM 12977 H HN2 . NAG C 2 . ? 8.030 -7.594 -3.558 1.00 0.00 ? 102 NAG A HN2 20 HETATM 12978 H HO3 . NAG C 2 . ? 11.755 -7.355 -3.864 1.00 0.00 ? 102 NAG A HO3 20 HETATM 12979 H HO4 . NAG C 2 . ? 12.834 -7.627 -6.832 1.00 0.00 ? 102 NAG A HO4 20 HETATM 12980 H HO6 . NAG C 2 . ? 9.243 -9.050 -9.582 1.00 0.00 ? 102 NAG A HO6 20 # 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 LYS 1 1 1 LYS LYS A . n A 1 2 PRO 2 2 2 PRO PRO A . n A 1 3 ALA 3 3 3 ALA ALA A . n A 1 4 TRP 4 4 4 TRP TRP A . n A 1 5 CYS 5 5 5 CYS CYS A . n A 1 6 TRP 6 6 6 TRP TRP A . n A 1 7 TYR 7 7 7 TYR TYR A . n A 1 8 THR 8 8 8 THR THR A . n A 1 9 LEU 9 9 9 LEU LEU A . n A 1 10 ALA 10 10 10 ALA ALA A . n A 1 11 MET 11 11 11 MET MET A . n A 1 12 CYS 12 12 12 CYS CYS A . n A 1 13 GLY 13 13 13 GLY GLY A . n A 1 14 ALA 14 14 14 ALA ALA A . n A 1 15 GLY 15 15 15 GLY GLY A . n A 1 16 TYR 16 16 16 TYR TYR A . n A 1 17 ASP 17 17 17 ASP ASP A . n A 1 18 SER 18 18 18 SER SER A . n A 1 19 GLY 19 19 19 GLY GLY A . n A 1 20 THR 20 20 20 THR THR A . n A 1 21 CYS 21 21 21 CYS CYS A . n A 1 22 ASP 22 22 22 ASP ASP A . n A 1 23 TYR 23 23 23 TYR TYR A . n A 1 24 MET 24 24 24 MET MET A . n A 1 25 TYR 25 25 25 TYR TYR A . n A 1 26 SER 26 26 26 SER SER A . n A 1 27 HIS 27 27 27 HIS HIS A . n A 1 28 CYS 28 28 28 CYS CYS A . n A 1 29 PHE 29 29 29 PHE PHE A . n A 1 30 GLY 30 30 30 GLY GLY A . n A 1 31 VAL 31 31 31 VAL VAL A . n A 1 32 LYS 32 32 32 LYS LYS A . n A 1 33 HIS 33 33 33 HIS HIS A . n A 1 34 SER 34 34 34 SER SER A . n A 1 35 SER 35 35 35 SER SER A . n A 1 36 GLY 36 36 36 GLY GLY A . n A 1 37 GLY 37 37 37 GLY GLY A . n A 1 38 GLY 38 38 38 GLY GLY A . n A 1 39 GLY 39 39 39 GLY GLY A . n A 1 40 SER 40 40 40 SER SER A . n A 1 41 TYR 41 41 41 TYR TYR A . n A 1 42 HIS 42 42 42 HIS HIS A . n A 1 43 CYS 43 43 43 CYS CYS A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 101 100 NAG NAG A . C 2 NAG 1 102 200 NAG NAG A . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id SER _pdbx_struct_mod_residue.label_seq_id 18 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id SER _pdbx_struct_mod_residue.auth_seq_id 18 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id SER _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C # _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 # _pdbx_audit_revision_history.ordinal 1 _pdbx_audit_revision_history.data_content_type 'Structure model' _pdbx_audit_revision_history.major_revision 1 _pdbx_audit_revision_history.minor_revision 0 _pdbx_audit_revision_history.revision_date 2014-12-10 # _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 ? # _pdbx_nmr_exptl_sample.component entity-1 _pdbx_nmr_exptl_sample.concentration 1 _pdbx_nmr_exptl_sample.concentration_range ? _pdbx_nmr_exptl_sample.concentration_units mM _pdbx_nmr_exptl_sample.isotopic_labeling ? _pdbx_nmr_exptl_sample.solution_id 1 # _pdbx_nmr_constraints.disulfide_bond_constraints_total_count ? _pdbx_nmr_constraints.entry_id 2MVI _pdbx_nmr_constraints.hydrogen_bond_constraints_total_count ? _pdbx_nmr_constraints.NA_alpha-angle_constraints_total_count ? _pdbx_nmr_constraints.NA_beta-angle_constraints_total_count ? _pdbx_nmr_constraints.NA_chi-angle_constraints_total_count ? _pdbx_nmr_constraints.NA_delta-angle_constraints_total_count ? _pdbx_nmr_constraints.NA_epsilon-angle_constraints_total_count ? _pdbx_nmr_constraints.NA_gamma-angle_constraints_total_count ? _pdbx_nmr_constraints.NA_other-angle_constraints_total_count ? _pdbx_nmr_constraints.NA_sugar_pucker_constraints_total_count ? _pdbx_nmr_constraints.NOE_constraints_total 577 _pdbx_nmr_constraints.NOE_interentity_total_count ? _pdbx_nmr_constraints.NOE_interproton_distance_evaluation ? _pdbx_nmr_constraints.NOE_intraresidue_total_count ? _pdbx_nmr_constraints.NOE_long_range_total_count 116 _pdbx_nmr_constraints.NOE_medium_range_total_count 138 _pdbx_nmr_constraints.NOE_motional_averaging_correction ? _pdbx_nmr_constraints.NOE_pseudoatom_corrections ? _pdbx_nmr_constraints.NOE_sequential_total_count ? _pdbx_nmr_constraints.protein_chi_angle_constraints_total_count ? _pdbx_nmr_constraints.protein_other_angle_constraints_total_count 33 _pdbx_nmr_constraints.protein_phi_angle_constraints_total_count 17 _pdbx_nmr_constraints.protein_psi_angle_constraints_total_count 16 # 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 PRO A 2 ? ? -69.82 -168.63 2 1 TRP A 6 ? ? -153.50 -47.55 3 1 TYR A 7 ? ? -173.60 -167.07 4 1 ALA A 10 ? ? 64.63 62.29 5 1 ASP A 22 ? ? -152.15 -76.48 6 1 SER A 26 ? ? -86.14 31.22 7 1 HIS A 42 ? ? -94.77 39.36 8 2 PRO A 2 ? ? -69.73 -169.57 9 2 TRP A 6 ? ? -153.14 -42.24 10 2 TYR A 7 ? ? -179.53 -167.17 11 2 ALA A 10 ? ? 64.93 62.92 12 2 MET A 11 ? ? -66.87 -74.45 13 2 ASP A 22 ? ? -154.91 -76.02 14 2 SER A 26 ? ? -86.00 32.62 15 2 SER A 40 ? ? -92.71 -70.40 16 2 HIS A 42 ? ? -94.91 39.45 17 3 PRO A 2 ? ? -69.78 -168.80 18 3 TRP A 6 ? ? -153.55 -52.69 19 3 TYR A 7 ? ? -166.50 -167.24 20 3 ALA A 10 ? ? 64.35 63.66 21 3 ASP A 22 ? ? -152.14 -76.04 22 3 SER A 26 ? ? -86.20 30.62 23 3 SER A 40 ? ? -105.27 64.04 24 3 HIS A 42 ? ? -94.89 39.28 25 4 PRO A 2 ? ? -69.73 -169.47 26 4 TRP A 6 ? ? -153.90 -43.26 27 4 TYR A 7 ? ? -175.75 -167.18 28 4 ALA A 10 ? ? 64.78 62.79 29 4 ASP A 22 ? ? -155.42 -75.86 30 4 SER A 26 ? ? -85.87 31.67 31 4 SER A 34 ? ? -104.82 42.13 32 4 HIS A 42 ? ? -95.02 37.08 33 5 PRO A 2 ? ? -69.78 -169.34 34 5 TRP A 6 ? ? -155.16 -41.64 35 5 TYR A 7 ? ? -177.03 -167.02 36 5 ALA A 10 ? ? 64.57 62.91 37 5 MET A 11 ? ? -64.74 -71.69 38 5 ASP A 22 ? ? -153.94 -76.01 39 5 SER A 26 ? ? -86.15 31.14 40 5 HIS A 42 ? ? -95.05 37.09 41 6 PRO A 2 ? ? -69.79 -168.85 42 6 TRP A 6 ? ? -157.13 -41.68 43 6 TYR A 7 ? ? -178.25 -167.62 44 6 ALA A 10 ? ? 65.00 62.98 45 6 MET A 11 ? ? -52.56 -71.03 46 6 ASP A 22 ? ? -155.94 -75.37 47 6 HIS A 42 ? ? -94.84 39.40 48 7 PRO A 2 ? ? -69.80 -169.13 49 7 TRP A 6 ? ? -153.99 -47.06 50 7 TYR A 7 ? ? -171.59 -166.78 51 7 ALA A 10 ? ? 64.77 62.65 52 7 MET A 11 ? ? -64.25 -72.04 53 7 ASP A 22 ? ? -156.93 -75.70 54 7 SER A 26 ? ? -85.90 32.02 55 7 HIS A 42 ? ? -94.82 39.14 56 8 PRO A 2 ? ? -69.79 -169.17 57 8 TRP A 6 ? ? -156.24 -41.65 58 8 TYR A 7 ? ? -176.32 -167.66 59 8 ALA A 10 ? ? 64.25 64.07 60 8 ASP A 22 ? ? -153.84 -76.10 61 8 SER A 26 ? ? -85.91 31.02 62 8 HIS A 33 ? ? -58.71 178.76 63 8 HIS A 42 ? ? -94.65 39.10 64 9 PRO A 2 ? ? -69.82 -168.63 65 9 TRP A 6 ? ? -158.83 -46.73 66 9 TYR A 7 ? ? -172.41 -168.40 67 9 ALA A 10 ? ? 64.17 63.68 68 9 ASP A 22 ? ? -155.44 -75.88 69 9 HIS A 42 ? ? -94.84 39.04 70 10 PRO A 2 ? ? -69.78 -168.88 71 10 TRP A 6 ? ? -156.01 -46.70 72 10 TYR A 7 ? ? -171.73 -167.33 73 10 ALA A 10 ? ? 65.27 62.62 74 10 MET A 11 ? ? -51.90 -70.29 75 10 ASP A 22 ? ? -155.34 -75.64 76 10 HIS A 42 ? ? -94.56 39.34 77 11 PRO A 2 ? ? -69.75 -169.82 78 11 TRP A 6 ? ? -152.06 -43.31 79 11 TYR A 7 ? ? -179.91 -167.28 80 11 ALA A 10 ? ? 64.58 63.09 81 11 MET A 11 ? ? -67.35 -74.94 82 11 ASP A 22 ? ? -152.98 -76.23 83 11 SER A 26 ? ? -86.00 32.27 84 11 SER A 35 ? ? -68.41 90.81 85 11 HIS A 42 ? ? -95.08 36.94 86 12 PRO A 2 ? ? -69.74 -170.73 87 12 TRP A 6 ? ? -146.29 -45.18 88 12 TYR A 7 ? ? -179.75 -166.72 89 12 ALA A 10 ? ? 64.75 63.52 90 12 MET A 11 ? ? -68.41 -74.84 91 12 ASP A 22 ? ? -153.54 -76.11 92 12 SER A 26 ? ? -86.10 31.74 93 12 HIS A 42 ? ? -94.55 39.42 94 13 PRO A 2 ? ? -69.76 -169.02 95 13 TRP A 6 ? ? -156.95 -40.91 96 13 TYR A 7 ? ? -178.83 -168.71 97 13 ALA A 10 ? ? 65.25 64.06 98 13 ASP A 22 ? ? -153.47 -75.93 99 13 HIS A 42 ? ? -94.82 39.01 100 14 PRO A 2 ? ? -69.76 -168.52 101 14 TRP A 6 ? ? -157.08 -46.38 102 14 TYR A 7 ? ? -170.30 -167.96 103 14 ALA A 10 ? ? 64.05 63.49 104 14 ASP A 22 ? ? -155.74 -76.24 105 14 HIS A 42 ? ? -95.03 37.32 106 15 PRO A 2 ? ? -69.78 -168.55 107 15 TRP A 6 ? ? -156.33 -49.46 108 15 TYR A 7 ? ? -169.55 -168.93 109 15 ALA A 10 ? ? 65.20 64.43 110 15 ASP A 22 ? ? -155.84 -76.30 111 15 SER A 26 ? ? -86.05 30.52 112 15 HIS A 42 ? ? -95.12 37.19 113 16 PRO A 2 ? ? -69.79 -170.55 114 16 TRP A 6 ? ? -147.13 -43.45 115 16 TYR A 7 ? ? -179.55 -166.62 116 16 ALA A 10 ? ? 65.05 63.34 117 16 MET A 11 ? ? -66.42 -70.93 118 16 ASP A 22 ? ? -153.66 -76.14 119 16 SER A 26 ? ? -86.04 32.44 120 16 HIS A 42 ? ? -94.93 39.09 121 17 PRO A 2 ? ? -69.80 -169.95 122 17 TRP A 6 ? ? -150.33 -42.18 123 17 TYR A 7 ? ? -179.59 -168.40 124 17 ALA A 10 ? ? 65.18 64.46 125 17 ASP A 22 ? ? -153.07 -76.55 126 17 HIS A 42 ? ? -94.70 39.32 127 18 PRO A 2 ? ? -69.79 -170.60 128 18 TRP A 6 ? ? -146.65 -45.01 129 18 TYR A 7 ? ? -179.62 -166.48 130 18 ALA A 10 ? ? 65.06 63.13 131 18 MET A 11 ? ? -68.71 -74.06 132 18 ASP A 22 ? ? -153.62 -76.52 133 18 SER A 26 ? ? -85.99 32.68 134 18 HIS A 42 ? ? -94.60 39.01 135 19 PRO A 2 ? ? -69.81 -168.61 136 19 TRP A 6 ? ? -159.48 -42.41 137 19 TYR A 7 ? ? -175.99 -168.22 138 19 ALA A 10 ? ? 64.37 63.47 139 19 ASP A 22 ? ? -155.09 -76.61 140 19 SER A 26 ? ? -85.95 33.16 141 19 HIS A 42 ? ? -95.12 36.96 142 20 PRO A 2 ? ? -69.75 -168.96 143 20 TRP A 6 ? ? -155.26 -42.57 144 20 TYR A 7 ? ? -176.14 -167.03 145 20 ALA A 10 ? ? 65.59 62.10 146 20 MET A 11 ? ? -51.85 -71.18 147 20 ASP A 22 ? ? -155.85 -75.76 148 20 SER A 26 ? ? -85.94 30.97 149 20 HIS A 42 ? ? -94.86 39.25 # loop_ _pdbx_validate_peptide_omega.id _pdbx_validate_peptide_omega.PDB_model_num _pdbx_validate_peptide_omega.auth_comp_id_1 _pdbx_validate_peptide_omega.auth_asym_id_1 _pdbx_validate_peptide_omega.auth_seq_id_1 _pdbx_validate_peptide_omega.PDB_ins_code_1 _pdbx_validate_peptide_omega.label_alt_id_1 _pdbx_validate_peptide_omega.auth_comp_id_2 _pdbx_validate_peptide_omega.auth_asym_id_2 _pdbx_validate_peptide_omega.auth_seq_id_2 _pdbx_validate_peptide_omega.PDB_ins_code_2 _pdbx_validate_peptide_omega.label_alt_id_2 _pdbx_validate_peptide_omega.omega 1 1 SER A 18 ? ? GLY A 19 ? ? -139.94 2 2 SER A 18 ? ? GLY A 19 ? ? -139.92 3 3 SER A 18 ? ? GLY A 19 ? ? -139.97 4 4 SER A 18 ? ? GLY A 19 ? ? -139.66 5 5 SER A 18 ? ? GLY A 19 ? ? -139.95 6 6 SER A 18 ? ? GLY A 19 ? ? -139.91 7 7 SER A 18 ? ? GLY A 19 ? ? -139.64 8 8 SER A 18 ? ? GLY A 19 ? ? -139.85 9 9 SER A 18 ? ? GLY A 19 ? ? -139.95 10 10 SER A 18 ? ? GLY A 19 ? ? -139.91 11 11 SER A 18 ? ? GLY A 19 ? ? -139.99 12 12 SER A 18 ? ? GLY A 19 ? ? -139.89 13 13 SER A 18 ? ? GLY A 19 ? ? -139.91 14 14 SER A 18 ? ? GLY A 19 ? ? -139.98 15 15 SER A 18 ? ? GLY A 19 ? ? -139.54 16 16 SER A 18 ? ? GLY A 19 ? ? -139.82 17 17 SER A 18 ? ? GLY A 19 ? ? -139.78 18 18 SER A 18 ? ? GLY A 19 ? ? -140.00 19 19 SER A 18 ? ? GLY A 19 ? ? -139.98 20 20 SER A 18 ? ? GLY A 19 ? ? -139.94 # loop_ _pdbx_validate_main_chain_plane.id _pdbx_validate_main_chain_plane.PDB_model_num _pdbx_validate_main_chain_plane.auth_comp_id _pdbx_validate_main_chain_plane.auth_asym_id _pdbx_validate_main_chain_plane.auth_seq_id _pdbx_validate_main_chain_plane.PDB_ins_code _pdbx_validate_main_chain_plane.label_alt_id _pdbx_validate_main_chain_plane.improper_torsion_angle 1 1 SER A 18 ? ? 20.79 2 2 SER A 18 ? ? 20.85 3 3 SER A 18 ? ? 20.78 4 4 SER A 18 ? ? 21.47 5 5 SER A 18 ? ? 20.92 6 6 SER A 18 ? ? 20.80 7 7 SER A 18 ? ? 21.44 8 8 SER A 18 ? ? 20.95 9 9 SER A 18 ? ? 20.77 10 10 SER A 18 ? ? 20.90 11 11 SER A 18 ? ? 20.70 12 12 SER A 18 ? ? 20.91 13 13 SER A 18 ? ? 20.83 14 14 SER A 18 ? ? 20.63 15 15 SER A 18 ? ? 21.64 16 16 SER A 18 ? ? 21.04 17 17 SER A 18 ? ? 21.08 18 18 SER A 18 ? ? 20.58 19 19 SER A 18 ? ? 20.70 20 20 SER A 18 ? ? 20.83 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name N-ACETYL-D-GLUCOSAMINE _pdbx_entity_nonpoly.comp_id NAG #