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*** ***elNémo ID: 2602200858543780798Job options:ID = 2602200858543780798 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:data_1FJK # _entry.id 1FJK # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.392 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code _database_2.pdbx_database_accession _database_2.pdbx_DOI PDB 1FJK pdb_00001fjk 10.2210/pdb1fjk/pdb RCSB RCSB011643 ? ? WWPDB D_1000011643 ? ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2000-09-06 2 'Structure model' 1 1 2008-04-27 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2021-11-03 5 'Structure model' 1 4 2024-05-22 # _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_audit_revision_details.details ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Version format compliance' 3 4 'Structure model' 'Data collection' 4 4 'Structure model' 'Database references' 5 4 'Structure model' 'Derived calculations' 6 5 'Structure model' 'Data collection' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 4 'Structure model' database_2 2 4 'Structure model' pdbx_nmr_software 3 4 'Structure model' pdbx_struct_assembly 4 4 'Structure model' pdbx_struct_oper_list 5 4 'Structure model' struct_ref_seq_dif 6 5 'Structure model' chem_comp_atom 7 5 'Structure model' chem_comp_bond # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 4 'Structure model' '_database_2.pdbx_DOI' 2 4 'Structure model' '_database_2.pdbx_database_accession' 3 4 'Structure model' '_pdbx_nmr_software.name' 4 4 'Structure model' '_struct_ref_seq_dif.details' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1FJK _pdbx_database_status.recvd_initial_deposition_date 2000-08-08 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_mr REL _pdbx_database_status.status_code_sf ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? _pdbx_database_status.status_code_nmr_data ? _pdbx_database_status.methods_development_category ? # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 1FJP _pdbx_database_related.details 'NMR Solution Structure of Phospholamban, 10 STRUCTURES' _pdbx_database_related.content_type unspecified # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Lamberth, S.' 1 'Griesinger, C.' 2 'Schmid, H.' 3 'Carafoli, E.' 4 'Muenchbach, M.' 5 'Vorherr, T.' 6 'Krebs, J.' 7 # _citation.id primary _citation.title 'NMR Solution Structure of Phospholamban' _citation.journal_abbrev HELV.CHIM.ACTA _citation.journal_volume 83 _citation.page_first 2141 _citation.page_last 2152 _citation.year 2000 _citation.journal_id_ASTM HCACAV _citation.country SZ _citation.journal_id_ISSN 0018-019X _citation.journal_id_CSD 0010 _citation.book_publisher ? _citation.pdbx_database_id_PubMed -1 _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Lamberth, S.' 1 ? primary 'Schmid, H.' 2 ? primary 'Muenchbach, M.' 3 ? primary 'Vorherr, T.' 4 ? primary 'Krebs, J.' 5 ? primary 'Carafoli, E.' 6 ? primary 'Griesinger, C.' 7 ? # _entity.id 1 _entity.type polymer _entity.src_method nat _entity.pdbx_description 'CARDIAC PHOSPHOLAMBAN' _entity.formula_weight 6129.504 _entity.pdbx_number_of_molecules 1 _entity.pdbx_ec ? _entity.pdbx_mutation C41F _entity.pdbx_fragment ? _entity.details ? # _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 MDKVQYLTRSAIRRASTIEMPQQARQNLQNLFINFCLILIFLLLICIIVMLL _entity_poly.pdbx_seq_one_letter_code_can MDKVQYLTRSAIRRASTIEMPQQARQNLQNLFINFCLILIFLLLICIIVMLL _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 MET n 1 2 ASP n 1 3 LYS n 1 4 VAL n 1 5 GLN n 1 6 TYR n 1 7 LEU n 1 8 THR n 1 9 ARG n 1 10 SER n 1 11 ALA n 1 12 ILE n 1 13 ARG n 1 14 ARG n 1 15 ALA n 1 16 SER n 1 17 THR n 1 18 ILE n 1 19 GLU n 1 20 MET n 1 21 PRO n 1 22 GLN n 1 23 GLN n 1 24 ALA n 1 25 ARG n 1 26 GLN n 1 27 ASN n 1 28 LEU n 1 29 GLN n 1 30 ASN n 1 31 LEU n 1 32 PHE n 1 33 ILE n 1 34 ASN n 1 35 PHE n 1 36 CYS n 1 37 LEU n 1 38 ILE n 1 39 LEU n 1 40 ILE n 1 41 PHE n 1 42 LEU n 1 43 LEU n 1 44 LEU n 1 45 ILE n 1 46 CYS n 1 47 ILE n 1 48 ILE n 1 49 VAL n 1 50 MET n 1 51 LEU n 1 52 LEU 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 pig _entity_src_nat.pdbx_organism_scientific 'Sus scrofa' _entity_src_nat.pdbx_ncbi_taxonomy_id 9823 _entity_src_nat.genus Sus _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 ? # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 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 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_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 MET 1 1 1 MET MET A . n A 1 2 ASP 2 2 2 ASP ASP A . n A 1 3 LYS 3 3 3 LYS LYS A . n A 1 4 VAL 4 4 4 VAL VAL A . n A 1 5 GLN 5 5 5 GLN GLN A . n A 1 6 TYR 6 6 6 TYR TYR A . n A 1 7 LEU 7 7 7 LEU LEU A . n A 1 8 THR 8 8 8 THR THR A . n A 1 9 ARG 9 9 9 ARG ARG A . n A 1 10 SER 10 10 10 SER SER A . n A 1 11 ALA 11 11 11 ALA ALA A . n A 1 12 ILE 12 12 12 ILE ILE A . n A 1 13 ARG 13 13 13 ARG ARG A . n A 1 14 ARG 14 14 14 ARG ARG A . n A 1 15 ALA 15 15 15 ALA ALA A . n A 1 16 SER 16 16 16 SER SER A . n A 1 17 THR 17 17 17 THR THR A . n A 1 18 ILE 18 18 18 ILE ILE A . n A 1 19 GLU 19 19 19 GLU GLU A . n A 1 20 MET 20 20 20 MET MET A . n A 1 21 PRO 21 21 21 PRO PRO A . n A 1 22 GLN 22 22 22 GLN GLN A . n A 1 23 GLN 23 23 23 GLN GLN A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 ARG 25 25 25 ARG ARG A . n A 1 26 GLN 26 26 26 GLN GLN A . n A 1 27 ASN 27 27 27 ASN ASN A . n A 1 28 LEU 28 28 28 LEU LEU A . n A 1 29 GLN 29 29 29 GLN GLN A . n A 1 30 ASN 30 30 30 ASN ASN A . n A 1 31 LEU 31 31 31 LEU LEU A . n A 1 32 PHE 32 32 32 PHE PHE A . n A 1 33 ILE 33 33 33 ILE ILE A . n A 1 34 ASN 34 34 34 ASN ASN A . n A 1 35 PHE 35 35 35 PHE PHE A . n A 1 36 CYS 36 36 36 CYS CYS A . n A 1 37 LEU 37 37 37 LEU LEU A . n A 1 38 ILE 38 38 38 ILE ILE A . n A 1 39 LEU 39 39 39 LEU LEU A . n A 1 40 ILE 40 40 40 ILE ILE A . n A 1 41 PHE 41 41 41 PHE PHE A . n A 1 42 LEU 42 42 42 LEU LEU A . n A 1 43 LEU 43 43 43 LEU LEU A . n A 1 44 LEU 44 44 44 LEU LEU A . n A 1 45 ILE 45 45 45 ILE ILE A . n A 1 46 CYS 46 46 46 CYS CYS A . n A 1 47 ILE 47 47 47 ILE ILE A . n A 1 48 ILE 48 48 48 ILE ILE A . n A 1 49 VAL 49 49 49 VAL VAL A . n A 1 50 MET 50 50 50 MET MET A . n A 1 51 LEU 51 51 51 LEU LEU A . n A 1 52 LEU 52 52 52 LEU LEU A . n # _cell.entry_id 1FJK _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 1FJK _symmetry.space_group_name_H-M 'P 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 1 # _exptl.entry_id 1FJK _exptl.method 'SOLUTION NMR' _exptl.crystals_number ? # _database_PDB_matrix.entry_id 1FJK _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _struct.entry_id 1FJK _struct.title 'NMR Solution Structure of Phospholamban (C41F)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1FJK _struct_keywords.pdbx_keywords 'MEMBRANE PROTEIN' _struct_keywords.text 'Helix, MEMBRANE PROTEIN' # _struct_asym.id A _struct_asym.pdbx_blank_PDB_chainid_flag N _struct_asym.pdbx_modified N _struct_asym.entity_id 1 _struct_asym.details ? # _struct_ref.id 1 _struct_ref.db_code PPLA_PIG _struct_ref.db_name UNP _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession P61013 _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_seq_one_letter_code MDKVQYLTRSAIRRASTIEMPQQARQNLQNLFINFCLILICLLLICIIVMLL _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1FJK _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 52 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P61013 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 52 _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 52 # _struct_ref_seq_dif.align_id 1 _struct_ref_seq_dif.pdbx_pdb_id_code 1FJK _struct_ref_seq_dif.mon_id PHE _struct_ref_seq_dif.pdbx_pdb_strand_id A _struct_ref_seq_dif.seq_num 41 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code P61013 _struct_ref_seq_dif.db_mon_id CYS _struct_ref_seq_dif.pdbx_seq_db_seq_num 41 _struct_ref_seq_dif.details 'engineered mutation' _struct_ref_seq_dif.pdbx_auth_seq_num 41 _struct_ref_seq_dif.pdbx_ordinal 1 # _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 # _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 ? _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 # _struct_biol.id 1 # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 LYS A 3 ? THR A 17 ? LYS A 3 THR A 17 1 ? 15 HELX_P HELX_P2 2 MET A 20 ? MET A 50 ? MET A 20 MET A 50 1 ? 31 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # 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 ASP A 2 ? ? -164.55 -39.83 2 1 ALA A 15 ? ? -145.82 -40.01 3 1 MET A 20 ? ? -144.28 55.49 # loop_ _pdbx_validate_planes.id _pdbx_validate_planes.PDB_model_num _pdbx_validate_planes.auth_comp_id _pdbx_validate_planes.auth_asym_id _pdbx_validate_planes.auth_seq_id _pdbx_validate_planes.PDB_ins_code _pdbx_validate_planes.label_alt_id _pdbx_validate_planes.rmsd _pdbx_validate_planes.type 1 1 ARG A 9 ? ? 0.316 'SIDE CHAIN' 2 1 ARG A 13 ? ? 0.287 'SIDE CHAIN' 3 1 ARG A 14 ? ? 0.286 'SIDE CHAIN' 4 1 ARG A 25 ? ? 0.318 'SIDE CHAIN' # _pdbx_nmr_ensemble.entry_id 1FJK _pdbx_nmr_ensemble.conformers_calculated_total_number 100 _pdbx_nmr_ensemble.conformers_submitted_total_number 1 _pdbx_nmr_ensemble.conformer_selection_criteria 'minimized average structure' _pdbx_nmr_ensemble.average_constraints_per_residue ? _pdbx_nmr_ensemble.average_constraint_violations_per_residue ? _pdbx_nmr_ensemble.maximum_distance_constraint_violation ? _pdbx_nmr_ensemble.average_distance_constraint_violation ? _pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation ? _pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ? _pdbx_nmr_ensemble.distance_constraint_violation_method ? _pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ? _pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ? _pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ? # _pdbx_nmr_representative.entry_id 1FJK _pdbx_nmr_representative.conformer_id 21 _pdbx_nmr_representative.selection_criteria 'lowest energy' # _pdbx_nmr_sample_details.solution_id 1 _pdbx_nmr_sample_details.contents '1 mM Phospholamban (C41F)' _pdbx_nmr_sample_details.solvent_system '50 % CDCl3, 50 % CD3OH' # _pdbx_nmr_exptl_sample_conditions.conditions_id 1 _pdbx_nmr_exptl_sample_conditions.temperature 300 _pdbx_nmr_exptl_sample_conditions.pressure ambient _pdbx_nmr_exptl_sample_conditions.pH 7.0 _pdbx_nmr_exptl_sample_conditions.ionic_strength 0 _pdbx_nmr_exptl_sample_conditions.pressure_units ? _pdbx_nmr_exptl_sample_conditions.temperature_units K # loop_ _pdbx_nmr_exptl.experiment_id _pdbx_nmr_exptl.solution_id _pdbx_nmr_exptl.conditions_id _pdbx_nmr_exptl.type 1 1 1 '2D NOESY' 2 1 1 DQF-COSY 3 1 1 TOCSY # _pdbx_nmr_details.entry_id 1FJK _pdbx_nmr_details.text 'This structure was determined using standard 2D homonuclear techniques.' # _pdbx_nmr_refine.entry_id 1FJK _pdbx_nmr_refine.method 'simulated annealing, molecular dynamics' _pdbx_nmr_refine.details 'the structure is based on a total of 649 restraints, 644 are NOE-derived distance constraints, 5 dihedral angle restraints' _pdbx_nmr_refine.software_ordinal 1 # loop_ _pdbx_nmr_software.name _pdbx_nmr_software.version _pdbx_nmr_software.classification _pdbx_nmr_software.authors _pdbx_nmr_software.ordinal Felix 98 'data analysis' MSI 1 X-PLOR 98.1 'structure solution' Brunger 2 UXNMR 2.6 collection Bruker 3 X-PLOR 98.1 refinement Brunger 4 # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.pdbx_ordinal ALA N N N N 1 ALA CA C N S 2 ALA C C N N 3 ALA O O N N 4 ALA CB C N N 5 ALA OXT O N N 6 ALA H H N N 7 ALA H2 H N N 8 ALA HA H N N 9 ALA HB1 H N N 10 ALA HB2 H N N 11 ALA HB3 H N N 12 ALA HXT H N N 13 ARG N N N N 14 ARG CA C N S 15 ARG C C N N 16 ARG O O N N 17 ARG CB C N N 18 ARG CG C N N 19 ARG CD C N N 20 ARG NE N N N 21 ARG CZ C N N 22 ARG NH1 N N N 23 ARG NH2 N N N 24 ARG OXT O N N 25 ARG H H N N 26 ARG H2 H N N 27 ARG HA H N N 28 ARG HB2 H N N 29 ARG HB3 H N N 30 ARG HG2 H N N 31 ARG HG3 H N N 32 ARG HD2 H N N 33 ARG HD3 H N N 34 ARG HE H N N 35 ARG HH11 H N N 36 ARG HH12 H N N 37 ARG HH21 H N N 38 ARG HH22 H N N 39 ARG HXT H N N 40 ASN N N N N 41 ASN CA C N S 42 ASN C C N N 43 ASN O O N N 44 ASN CB C N N 45 ASN CG C N N 46 ASN OD1 O N N 47 ASN ND2 N N N 48 ASN OXT O N N 49 ASN H H N N 50 ASN H2 H N N 51 ASN HA H N N 52 ASN HB2 H N N 53 ASN HB3 H N N 54 ASN HD21 H N N 55 ASN HD22 H N N 56 ASN HXT H N N 57 ASP N N N N 58 ASP CA C N S 59 ASP C C N N 60 ASP O O N N 61 ASP CB C N N 62 ASP CG C N N 63 ASP OD1 O N N 64 ASP OD2 O N N 65 ASP OXT O N N 66 ASP H H N N 67 ASP H2 H N N 68 ASP HA H N N 69 ASP HB2 H N N 70 ASP HB3 H N N 71 ASP HD2 H N N 72 ASP HXT H N N 73 CYS N N N N 74 CYS CA C N R 75 CYS C C N N 76 CYS O O N N 77 CYS CB C N N 78 CYS SG S N N 79 CYS OXT O N N 80 CYS H H N N 81 CYS H2 H N N 82 CYS HA H N N 83 CYS HB2 H N N 84 CYS HB3 H N N 85 CYS HG H N N 86 CYS HXT H N N 87 GLN N N N N 88 GLN CA C N S 89 GLN C C N N 90 GLN O O N N 91 GLN CB C N N 92 GLN CG C N N 93 GLN CD C N N 94 GLN OE1 O N N 95 GLN NE2 N N N 96 GLN OXT O N N 97 GLN H H N N 98 GLN H2 H N N 99 GLN HA H N N 100 GLN HB2 H N N 101 GLN HB3 H N N 102 GLN HG2 H N N 103 GLN HG3 H N N 104 GLN HE21 H N N 105 GLN HE22 H N N 106 GLN HXT H N N 107 GLU N N N N 108 GLU CA C N S 109 GLU C C N N 110 GLU O O N N 111 GLU CB C N N 112 GLU CG C N N 113 GLU CD C N N 114 GLU OE1 O N N 115 GLU OE2 O N N 116 GLU OXT O N N 117 GLU H H N N 118 GLU H2 H N N 119 GLU HA H N N 120 GLU HB2 H N N 121 GLU HB3 H N N 122 GLU HG2 H N N 123 GLU HG3 H N N 124 GLU HE2 H N N 125 GLU HXT H N N 126 ILE N N N N 127 ILE CA C N S 128 ILE C C N N 129 ILE O O N N 130 ILE CB C N S 131 ILE CG1 C N N 132 ILE CG2 C N N 133 ILE CD1 C N N 134 ILE OXT O N N 135 ILE H H N N 136 ILE H2 H N N 137 ILE HA H N N 138 ILE HB H N N 139 ILE HG12 H N N 140 ILE HG13 H N N 141 ILE HG21 H N N 142 ILE HG22 H N N 143 ILE HG23 H N N 144 ILE HD11 H N N 145 ILE HD12 H N N 146 ILE HD13 H N N 147 ILE HXT H N N 148 LEU N N N N 149 LEU CA C N S 150 LEU C C N N 151 LEU O O N N 152 LEU CB C N N 153 LEU CG C N N 154 LEU CD1 C N N 155 LEU CD2 C N N 156 LEU OXT O N N 157 LEU H H N N 158 LEU H2 H N N 159 LEU HA H N N 160 LEU HB2 H N N 161 LEU HB3 H N N 162 LEU HG H N N 163 LEU HD11 H N N 164 LEU HD12 H N N 165 LEU HD13 H N N 166 LEU HD21 H N N 167 LEU HD22 H N N 168 LEU HD23 H N N 169 LEU HXT H N N 170 LYS N N N N 171 LYS CA C N S 172 LYS C C N N 173 LYS O O N N 174 LYS CB C N N 175 LYS CG C N N 176 LYS CD C N N 177 LYS CE C N N 178 LYS NZ N N N 179 LYS OXT O N N 180 LYS H H N N 181 LYS H2 H N N 182 LYS HA H N N 183 LYS HB2 H N N 184 LYS HB3 H N N 185 LYS HG2 H N N 186 LYS HG3 H N N 187 LYS HD2 H N N 188 LYS HD3 H N N 189 LYS HE2 H N N 190 LYS HE3 H N N 191 LYS HZ1 H N N 192 LYS HZ2 H N N 193 LYS HZ3 H N N 194 LYS HXT H N N 195 MET N N N N 196 MET CA C N S 197 MET C C N N 198 MET O O N N 199 MET CB C N N 200 MET CG C N N 201 MET SD S N N 202 MET CE C N N 203 MET OXT O N N 204 MET H H N N 205 MET H2 H N N 206 MET HA H N N 207 MET HB2 H N N 208 MET HB3 H N N 209 MET HG2 H N N 210 MET HG3 H N N 211 MET HE1 H N N 212 MET HE2 H N N 213 MET HE3 H N N 214 MET HXT H N N 215 PHE N N N N 216 PHE CA C N S 217 PHE C C N N 218 PHE O O N N 219 PHE CB C N N 220 PHE CG C Y N 221 PHE CD1 C Y N 222 PHE CD2 C Y N 223 PHE CE1 C Y N 224 PHE CE2 C Y N 225 PHE CZ C Y N 226 PHE OXT O N N 227 PHE H H N N 228 PHE H2 H N N 229 PHE HA H N N 230 PHE HB2 H N N 231 PHE HB3 H N N 232 PHE HD1 H N N 233 PHE HD2 H N N 234 PHE HE1 H N N 235 PHE HE2 H N N 236 PHE HZ H N N 237 PHE HXT H N N 238 PRO N N N N 239 PRO CA C N S 240 PRO C C N N 241 PRO O O N N 242 PRO CB C N N 243 PRO CG C N N 244 PRO CD C N N 245 PRO OXT O N N 246 PRO H H N N 247 PRO HA H N N 248 PRO HB2 H N N 249 PRO HB3 H N N 250 PRO HG2 H N N 251 PRO HG3 H N N 252 PRO HD2 H N N 253 PRO HD3 H N N 254 PRO HXT H N N 255 SER N N N N 256 SER CA C N S 257 SER C C N N 258 SER O O N N 259 SER CB C N N 260 SER OG O N N 261 SER OXT O N N 262 SER H H N N 263 SER H2 H N N 264 SER HA H N N 265 SER HB2 H N N 266 SER HB3 H N N 267 SER HG H N N 268 SER HXT H N N 269 THR N N N N 270 THR CA C N S 271 THR C C N N 272 THR O O N N 273 THR CB C N R 274 THR OG1 O N N 275 THR CG2 C N N 276 THR OXT O N N 277 THR H H N N 278 THR H2 H N N 279 THR HA H N N 280 THR HB H N N 281 THR HG1 H N N 282 THR HG21 H N N 283 THR HG22 H N N 284 THR HG23 H N N 285 THR HXT H N N 286 TYR N N N N 287 TYR CA C N S 288 TYR C C N N 289 TYR O O N N 290 TYR CB C N N 291 TYR CG C Y N 292 TYR CD1 C Y N 293 TYR CD2 C Y N 294 TYR CE1 C Y N 295 TYR CE2 C Y N 296 TYR CZ C Y N 297 TYR OH O N N 298 TYR OXT O N N 299 TYR H H N N 300 TYR H2 H N N 301 TYR HA H N N 302 TYR HB2 H N N 303 TYR HB3 H N N 304 TYR HD1 H N N 305 TYR HD2 H N N 306 TYR HE1 H N N 307 TYR HE2 H N N 308 TYR HH H N N 309 TYR HXT H N N 310 VAL N N N N 311 VAL CA C N S 312 VAL C C N N 313 VAL O O N N 314 VAL CB C N N 315 VAL CG1 C N N 316 VAL CG2 C N N 317 VAL OXT O N N 318 VAL H H N N 319 VAL H2 H N N 320 VAL HA H N N 321 VAL HB H N N 322 VAL HG11 H N N 323 VAL HG12 H N N 324 VAL HG13 H N N 325 VAL HG21 H N N 326 VAL HG22 H N N 327 VAL HG23 H N N 328 VAL HXT H N N 329 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal ALA N CA sing N N 1 ALA N H sing N N 2 ALA N H2 sing N N 3 ALA CA C sing N N 4 ALA CA CB sing N N 5 ALA CA HA sing N N 6 ALA C O doub N N 7 ALA C OXT sing N N 8 ALA CB HB1 sing N N 9 ALA CB HB2 sing N N 10 ALA CB HB3 sing N N 11 ALA OXT HXT sing N N 12 ARG N CA sing N N 13 ARG N H sing N N 14 ARG N H2 sing N N 15 ARG CA C sing N N 16 ARG CA CB sing N N 17 ARG CA HA sing N N 18 ARG C O doub N N 19 ARG C OXT sing N N 20 ARG CB CG sing N N 21 ARG CB HB2 sing N N 22 ARG CB HB3 sing N N 23 ARG CG CD sing N N 24 ARG CG HG2 sing N N 25 ARG CG HG3 sing N N 26 ARG CD NE sing N N 27 ARG CD HD2 sing N N 28 ARG CD HD3 sing N N 29 ARG NE CZ sing N N 30 ARG NE HE sing N N 31 ARG CZ NH1 sing N N 32 ARG CZ NH2 doub N N 33 ARG NH1 HH11 sing N N 34 ARG NH1 HH12 sing N N 35 ARG NH2 HH21 sing N N 36 ARG NH2 HH22 sing N N 37 ARG OXT HXT sing N N 38 ASN N CA sing N N 39 ASN N H sing N N 40 ASN N H2 sing N N 41 ASN CA C sing N N 42 ASN CA CB sing N N 43 ASN CA HA sing N N 44 ASN C O doub N N 45 ASN C OXT sing N N 46 ASN CB CG sing N N 47 ASN CB HB2 sing N N 48 ASN CB HB3 sing N N 49 ASN CG OD1 doub N N 50 ASN CG ND2 sing N N 51 ASN ND2 HD21 sing N N 52 ASN ND2 HD22 sing N N 53 ASN OXT HXT sing N N 54 ASP N CA sing N N 55 ASP N H sing N N 56 ASP N H2 sing N N 57 ASP CA C sing N N 58 ASP CA CB sing N N 59 ASP CA HA sing N N 60 ASP C O doub N N 61 ASP C OXT sing N N 62 ASP CB CG sing N N 63 ASP CB HB2 sing N N 64 ASP CB HB3 sing N N 65 ASP CG OD1 doub N N 66 ASP CG OD2 sing N N 67 ASP OD2 HD2 sing N N 68 ASP OXT HXT sing N N 69 CYS N CA sing N N 70 CYS N H sing N N 71 CYS N H2 sing N N 72 CYS CA C sing N N 73 CYS CA CB sing N N 74 CYS CA HA sing N N 75 CYS C O doub N N 76 CYS C OXT sing N N 77 CYS CB SG sing N N 78 CYS CB HB2 sing N N 79 CYS CB HB3 sing N N 80 CYS SG HG sing N N 81 CYS OXT HXT sing N N 82 GLN N CA sing N N 83 GLN N H sing N N 84 GLN N H2 sing N N 85 GLN CA C sing N N 86 GLN CA CB sing N N 87 GLN CA HA sing N N 88 GLN C O doub N N 89 GLN C OXT sing N N 90 GLN CB CG sing N N 91 GLN CB HB2 sing N N 92 GLN CB HB3 sing N N 93 GLN CG CD sing N N 94 GLN CG HG2 sing N N 95 GLN CG HG3 sing N N 96 GLN CD OE1 doub N N 97 GLN CD NE2 sing N N 98 GLN NE2 HE21 sing N N 99 GLN NE2 HE22 sing N N 100 GLN OXT HXT sing N N 101 GLU N CA sing N N 102 GLU N H sing N N 103 GLU N H2 sing N N 104 GLU CA C sing N N 105 GLU CA CB sing N N 106 GLU CA HA sing N N 107 GLU C O doub N N 108 GLU C OXT sing N N 109 GLU CB CG sing N N 110 GLU CB HB2 sing N N 111 GLU CB HB3 sing N N 112 GLU CG CD sing N N 113 GLU CG HG2 sing N N 114 GLU CG HG3 sing N N 115 GLU CD OE1 doub N N 116 GLU CD OE2 sing N N 117 GLU OE2 HE2 sing N N 118 GLU OXT HXT sing N N 119 ILE N CA sing N N 120 ILE N H sing N N 121 ILE N H2 sing N N 122 ILE CA C sing N N 123 ILE CA CB sing N N 124 ILE CA HA sing N N 125 ILE C O doub N N 126 ILE C OXT sing N N 127 ILE CB CG1 sing N N 128 ILE CB CG2 sing N N 129 ILE CB HB sing N N 130 ILE CG1 CD1 sing N N 131 ILE CG1 HG12 sing N N 132 ILE CG1 HG13 sing N N 133 ILE CG2 HG21 sing N N 134 ILE CG2 HG22 sing N N 135 ILE CG2 HG23 sing N N 136 ILE CD1 HD11 sing N N 137 ILE CD1 HD12 sing N N 138 ILE CD1 HD13 sing N N 139 ILE OXT HXT sing N N 140 LEU N CA sing N N 141 LEU N H sing N N 142 LEU N H2 sing N N 143 LEU CA C sing N N 144 LEU CA CB sing N N 145 LEU CA HA sing N N 146 LEU C O doub N N 147 LEU C OXT sing N N 148 LEU CB CG sing N N 149 LEU CB HB2 sing N N 150 LEU CB HB3 sing N N 151 LEU CG CD1 sing N N 152 LEU CG CD2 sing N N 153 LEU CG HG sing N N 154 LEU CD1 HD11 sing N N 155 LEU CD1 HD12 sing N N 156 LEU CD1 HD13 sing N N 157 LEU CD2 HD21 sing N N 158 LEU CD2 HD22 sing N N 159 LEU CD2 HD23 sing N N 160 LEU OXT HXT sing N N 161 LYS N CA sing N N 162 LYS N H sing N N 163 LYS N H2 sing N N 164 LYS CA C sing N N 165 LYS CA CB sing N N 166 LYS CA HA sing N N 167 LYS C O doub N N 168 LYS C OXT sing N N 169 LYS CB CG sing N N 170 LYS CB HB2 sing N N 171 LYS CB HB3 sing N N 172 LYS CG CD sing N N 173 LYS CG HG2 sing N N 174 LYS CG HG3 sing N N 175 LYS CD CE sing N N 176 LYS CD HD2 sing N N 177 LYS CD HD3 sing N N 178 LYS CE NZ sing N N 179 LYS CE HE2 sing N N 180 LYS CE HE3 sing N N 181 LYS NZ HZ1 sing N N 182 LYS NZ HZ2 sing N N 183 LYS NZ HZ3 sing N N 184 LYS OXT HXT sing N N 185 MET N CA sing N N 186 MET N H sing N N 187 MET N H2 sing N N 188 MET CA C sing N N 189 MET CA CB sing N N 190 MET CA HA sing N N 191 MET C O doub N N 192 MET C OXT sing N N 193 MET CB CG sing N N 194 MET CB HB2 sing N N 195 MET CB HB3 sing N N 196 MET CG SD sing N N 197 MET CG HG2 sing N N 198 MET CG HG3 sing N N 199 MET SD CE sing N N 200 MET CE HE1 sing N N 201 MET CE HE2 sing N N 202 MET CE HE3 sing N N 203 MET OXT HXT sing N N 204 PHE N CA sing N N 205 PHE N H sing N N 206 PHE N H2 sing N N 207 PHE CA C sing N N 208 PHE CA CB sing N N 209 PHE CA HA sing N N 210 PHE C O doub N N 211 PHE C OXT sing N N 212 PHE CB CG sing N N 213 PHE CB HB2 sing N N 214 PHE CB HB3 sing N N 215 PHE CG CD1 doub Y N 216 PHE CG CD2 sing Y N 217 PHE CD1 CE1 sing Y N 218 PHE CD1 HD1 sing N N 219 PHE CD2 CE2 doub Y N 220 PHE CD2 HD2 sing N N 221 PHE CE1 CZ doub Y N 222 PHE CE1 HE1 sing N N 223 PHE CE2 CZ sing Y N 224 PHE CE2 HE2 sing N N 225 PHE CZ HZ sing N N 226 PHE OXT HXT sing N N 227 PRO N CA sing N N 228 PRO N CD sing N N 229 PRO N H sing N N 230 PRO CA C sing N N 231 PRO CA CB sing N N 232 PRO CA HA sing N N 233 PRO C O doub N N 234 PRO C OXT sing N N 235 PRO CB CG sing N N 236 PRO CB HB2 sing N N 237 PRO CB HB3 sing N N 238 PRO CG CD sing N N 239 PRO CG HG2 sing N N 240 PRO CG HG3 sing N N 241 PRO CD HD2 sing N N 242 PRO CD HD3 sing N N 243 PRO OXT HXT sing N N 244 SER N CA sing N N 245 SER N H sing N N 246 SER N H2 sing N N 247 SER CA C sing N N 248 SER CA CB sing N N 249 SER CA HA sing N N 250 SER C O doub N N 251 SER C OXT sing N N 252 SER CB OG sing N N 253 SER CB HB2 sing N N 254 SER CB HB3 sing N N 255 SER OG HG sing N N 256 SER OXT HXT sing N N 257 THR N CA sing N N 258 THR N H sing N N 259 THR N H2 sing N N 260 THR CA C sing N N 261 THR CA CB sing N N 262 THR CA HA sing N N 263 THR C O doub N N 264 THR C OXT sing N N 265 THR CB OG1 sing N N 266 THR CB CG2 sing N N 267 THR CB HB sing N N 268 THR OG1 HG1 sing N N 269 THR CG2 HG21 sing N N 270 THR CG2 HG22 sing N N 271 THR CG2 HG23 sing N N 272 THR OXT HXT sing N N 273 TYR N CA sing N N 274 TYR N H sing N N 275 TYR N H2 sing N N 276 TYR CA C sing N N 277 TYR CA CB sing N N 278 TYR CA HA sing N N 279 TYR C O doub N N 280 TYR C OXT sing N N 281 TYR CB CG sing N N 282 TYR CB HB2 sing N N 283 TYR CB HB3 sing N N 284 TYR CG CD1 doub Y N 285 TYR CG CD2 sing Y N 286 TYR CD1 CE1 sing Y N 287 TYR CD1 HD1 sing N N 288 TYR CD2 CE2 doub Y N 289 TYR CD2 HD2 sing N N 290 TYR CE1 CZ doub Y N 291 TYR CE1 HE1 sing N N 292 TYR CE2 CZ sing Y N 293 TYR CE2 HE2 sing N N 294 TYR CZ OH sing N N 295 TYR OH HH sing N N 296 TYR OXT HXT sing N N 297 VAL N CA sing N N 298 VAL N H sing N N 299 VAL N H2 sing N N 300 VAL CA C sing N N 301 VAL CA CB sing N N 302 VAL CA HA sing N N 303 VAL C O doub N N 304 VAL C OXT sing N N 305 VAL CB CG1 sing N N 306 VAL CB CG2 sing N N 307 VAL CB HB sing N N 308 VAL CG1 HG11 sing N N 309 VAL CG1 HG12 sing N N 310 VAL CG1 HG13 sing N N 311 VAL CG2 HG21 sing N N 312 VAL CG2 HG22 sing N N 313 VAL CG2 HG23 sing N N 314 VAL OXT HXT sing N N 315 # loop_ _pdbx_nmr_spectrometer.spectrometer_id _pdbx_nmr_spectrometer.type _pdbx_nmr_spectrometer.manufacturer _pdbx_nmr_spectrometer.model _pdbx_nmr_spectrometer.field_strength 1 ? Bruker DRX 800 2 ? Bruker DRX 600 # _atom_sites.entry_id 1FJK _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 . MET A 1 1 ? -21.504 20.306 -19.386 1.00 0.00 ? 1 MET A N 1 ATOM 2 C CA . MET A 1 1 ? -20.473 19.920 -18.390 1.00 0.00 ? 1 MET A CA 1 ATOM 3 C C . MET A 1 1 ? -19.135 20.564 -18.730 1.00 0.00 ? 1 MET A C 1 ATOM 4 O O . MET A 1 1 ? -18.723 20.626 -19.872 1.00 0.00 ? 1 MET A O 1 ATOM 5 C CB . MET A 1 1 ? -20.372 18.400 -18.474 1.00 0.00 ? 1 MET A CB 1 ATOM 6 C CG . MET A 1 1 ? -20.064 17.981 -19.905 1.00 0.00 ? 1 MET A CG 1 ATOM 7 S SD . MET A 1 1 ? -19.965 16.176 -19.997 1.00 0.00 ? 1 MET A SD 1 ATOM 8 C CE . MET A 1 1 ? -19.611 16.055 -21.768 1.00 0.00 ? 1 MET A CE 1 ATOM 9 H H1 . MET A 1 1 ? -21.090 20.287 -20.339 1.00 0.00 ? 1 MET A H1 1 ATOM 10 H H2 . MET A 1 1 ? -21.841 21.266 -19.173 1.00 0.00 ? 1 MET A H2 1 ATOM 11 H H3 . MET A 1 1 ? -22.299 19.639 -19.340 1.00 0.00 ? 1 MET A H3 1 ATOM 12 H HA . MET A 1 1 ? -20.785 20.210 -17.399 1.00 0.00 ? 1 MET A HA 1 ATOM 13 H HB2 . MET A 1 1 ? -19.583 18.057 -17.821 1.00 0.00 ? 1 MET A HB2 1 ATOM 14 H HB3 . MET A 1 1 ? -21.298 17.966 -18.171 1.00 0.00 ? 1 MET A HB3 1 ATOM 15 H HG2 . MET A 1 1 ? -20.844 18.334 -20.563 1.00 0.00 ? 1 MET A HG2 1 ATOM 16 H HG3 . MET A 1 1 ? -19.127 18.408 -20.199 1.00 0.00 ? 1 MET A HG3 1 ATOM 17 H HE1 . MET A 1 1 ? -19.147 15.101 -21.978 1.00 0.00 ? 1 MET A HE1 1 ATOM 18 H HE2 . MET A 1 1 ? -18.941 16.849 -22.058 1.00 0.00 ? 1 MET A HE2 1 ATOM 19 H HE3 . MET A 1 1 ? -20.533 16.144 -22.325 1.00 0.00 ? 1 MET A HE3 1 ATOM 20 N N . ASP A 1 2 ? -18.461 21.040 -17.733 1.00 0.00 ? 2 ASP A N 1 ATOM 21 C CA . ASP A 1 2 ? -17.137 21.689 -17.952 1.00 0.00 ? 2 ASP A CA 1 ATOM 22 C C . ASP A 1 2 ? -16.391 21.812 -16.621 1.00 0.00 ? 2 ASP A C 1 ATOM 23 O O . ASP A 1 2 ? -15.196 21.608 -16.546 1.00 0.00 ? 2 ASP A O 1 ATOM 24 C CB . ASP A 1 2 ? -17.458 23.072 -18.519 1.00 0.00 ? 2 ASP A CB 1 ATOM 25 C CG . ASP A 1 2 ? -18.313 23.848 -17.517 1.00 0.00 ? 2 ASP A CG 1 ATOM 26 O OD1 . ASP A 1 2 ? -19.397 23.382 -17.207 1.00 0.00 ? 2 ASP A OD1 1 ATOM 27 O OD2 . ASP A 1 2 ? -17.869 24.895 -17.076 1.00 0.00 ? 2 ASP A OD2 1 ATOM 28 H H . ASP A 1 2 ? -18.831 20.967 -16.831 1.00 0.00 ? 2 ASP A H 1 ATOM 29 H HA . ASP A 1 2 ? -16.553 21.125 -18.662 1.00 0.00 ? 2 ASP A HA 1 ATOM 30 H HB2 . ASP A 1 2 ? -16.538 23.608 -18.700 1.00 0.00 ? 2 ASP A HB2 1 ATOM 31 H HB3 . ASP A 1 2 ? -18.001 22.964 -19.446 1.00 0.00 ? 2 ASP A HB3 1 ATOM 32 N N . LYS A 1 3 ? -17.090 22.140 -15.570 1.00 0.00 ? 3 LYS A N 1 ATOM 33 C CA . LYS A 1 3 ? -16.424 22.270 -14.243 1.00 0.00 ? 3 LYS A CA 1 ATOM 34 C C . LYS A 1 3 ? -16.867 21.134 -13.327 1.00 0.00 ? 3 LYS A C 1 ATOM 35 O O . LYS A 1 3 ? -16.095 20.622 -12.542 1.00 0.00 ? 3 LYS A O 1 ATOM 36 C CB . LYS A 1 3 ? -16.877 23.625 -13.692 1.00 0.00 ? 3 LYS A CB 1 ATOM 37 C CG . LYS A 1 3 ? -18.394 23.623 -13.478 1.00 0.00 ? 3 LYS A CG 1 ATOM 38 C CD . LYS A 1 3 ? -18.833 24.981 -12.927 1.00 0.00 ? 3 LYS A CD 1 ATOM 39 C CE . LYS A 1 3 ? -20.353 24.992 -12.751 1.00 0.00 ? 3 LYS A CE 1 ATOM 40 N NZ . LYS A 1 3 ? -20.672 26.352 -12.234 1.00 0.00 ? 3 LYS A NZ 1 ATOM 41 H H . LYS A 1 3 ? -18.051 22.296 -15.653 1.00 0.00 ? 3 LYS A H 1 ATOM 42 H HA . LYS A 1 3 ? -15.354 22.254 -14.357 1.00 0.00 ? 3 LYS A HA 1 ATOM 43 H HB2 . LYS A 1 3 ? -16.381 23.815 -12.751 1.00 0.00 ? 3 LYS A HB2 1 ATOM 44 H HB3 . LYS A 1 3 ? -16.620 24.400 -14.398 1.00 0.00 ? 3 LYS A HB3 1 ATOM 45 H HG2 . LYS A 1 3 ? -18.893 23.441 -14.417 1.00 0.00 ? 3 LYS A HG2 1 ATOM 46 H HG3 . LYS A 1 3 ? -18.657 22.849 -12.773 1.00 0.00 ? 3 LYS A HG3 1 ATOM 47 H HD2 . LYS A 1 3 ? -18.357 25.153 -11.972 1.00 0.00 ? 3 LYS A HD2 1 ATOM 48 H HD3 . LYS A 1 3 ? -18.547 25.760 -13.618 1.00 0.00 ? 3 LYS A HD3 1 ATOM 49 H HE2 . LYS A 1 3 ? -20.841 24.825 -13.701 1.00 0.00 ? 3 LYS A HE2 1 ATOM 50 H HE3 . LYS A 1 3 ? -20.655 24.244 -12.035 1.00 0.00 ? 3 LYS A HE3 1 ATOM 51 H HZ1 . LYS A 1 3 ? -20.439 26.403 -11.222 1.00 0.00 ? 3 LYS A HZ1 1 ATOM 52 H HZ2 . LYS A 1 3 ? -21.686 26.545 -12.367 1.00 0.00 ? 3 LYS A HZ2 1 ATOM 53 H HZ3 . LYS A 1 3 ? -20.114 27.061 -12.751 1.00 0.00 ? 3 LYS A HZ3 1 ATOM 54 N N . VAL A 1 4 ? -18.096 20.718 -13.430 1.00 0.00 ? 4 VAL A N 1 ATOM 55 C CA . VAL A 1 4 ? -18.563 19.599 -12.570 1.00 0.00 ? 4 VAL A CA 1 ATOM 56 C C . VAL A 1 4 ? -17.797 18.316 -12.923 1.00 0.00 ? 4 VAL A C 1 ATOM 57 O O . VAL A 1 4 ? -17.854 17.337 -12.208 1.00 0.00 ? 4 VAL A O 1 ATOM 58 C CB . VAL A 1 4 ? -20.052 19.447 -12.886 1.00 0.00 ? 4 VAL A CB 1 ATOM 59 C CG1 . VAL A 1 4 ? -20.228 19.136 -14.373 1.00 0.00 ? 4 VAL A CG1 1 ATOM 60 C CG2 . VAL A 1 4 ? -20.637 18.305 -12.052 1.00 0.00 ? 4 VAL A CG2 1 ATOM 61 H H . VAL A 1 4 ? -18.705 21.131 -14.079 1.00 0.00 ? 4 VAL A H 1 ATOM 62 H HA . VAL A 1 4 ? -18.430 19.843 -11.528 1.00 0.00 ? 4 VAL A HA 1 ATOM 63 H HB . VAL A 1 4 ? -20.566 20.366 -12.647 1.00 0.00 ? 4 VAL A HB 1 ATOM 64 H HG11 . VAL A 1 4 ? -19.287 19.277 -14.884 1.00 0.00 ? 4 VAL A HG11 1 ATOM 65 H HG12 . VAL A 1 4 ? -20.969 19.799 -14.794 1.00 0.00 ? 4 VAL A HG12 1 ATOM 66 H HG13 . VAL A 1 4 ? -20.552 18.112 -14.491 1.00 0.00 ? 4 VAL A HG13 1 ATOM 67 H HG21 . VAL A 1 4 ? -20.390 17.359 -12.510 1.00 0.00 ? 4 VAL A HG21 1 ATOM 68 H HG22 . VAL A 1 4 ? -21.711 18.410 -12.001 1.00 0.00 ? 4 VAL A HG22 1 ATOM 69 H HG23 . VAL A 1 4 ? -20.225 18.340 -11.054 1.00 0.00 ? 4 VAL A HG23 1 ATOM 70 N N . GLN A 1 5 ? -17.088 18.308 -14.026 1.00 0.00 ? 5 GLN A N 1 ATOM 71 C CA . GLN A 1 5 ? -16.339 17.082 -14.412 1.00 0.00 ? 5 GLN A CA 1 ATOM 72 C C . GLN A 1 5 ? -15.082 16.907 -13.552 1.00 0.00 ? 5 GLN A C 1 ATOM 73 O O . GLN A 1 5 ? -14.811 15.823 -13.072 1.00 0.00 ? 5 GLN A O 1 ATOM 74 C CB . GLN A 1 5 ? -15.974 17.261 -15.894 1.00 0.00 ? 5 GLN A CB 1 ATOM 75 C CG . GLN A 1 5 ? -15.034 18.461 -16.076 1.00 0.00 ? 5 GLN A CG 1 ATOM 76 C CD . GLN A 1 5 ? -14.722 18.690 -17.565 1.00 0.00 ? 5 GLN A CD 1 ATOM 77 O OE1 . GLN A 1 5 ? -14.002 19.609 -17.899 1.00 0.00 ? 5 GLN A OE1 1 ATOM 78 N NE2 . GLN A 1 5 ? -15.222 17.900 -18.483 1.00 0.00 ? 5 GLN A NE2 1 ATOM 79 H H . GLN A 1 5 ? -17.059 19.094 -14.599 1.00 0.00 ? 5 GLN A H 1 ATOM 80 H HA . GLN A 1 5 ? -16.976 16.225 -14.299 1.00 0.00 ? 5 GLN A HA 1 ATOM 81 H HB2 . GLN A 1 5 ? -15.483 16.367 -16.249 1.00 0.00 ? 5 GLN A HB2 1 ATOM 82 H HB3 . GLN A 1 5 ? -16.875 17.424 -16.466 1.00 0.00 ? 5 GLN A HB3 1 ATOM 83 H HG2 . GLN A 1 5 ? -15.497 19.346 -15.670 1.00 0.00 ? 5 GLN A HG2 1 ATOM 84 H HG3 . GLN A 1 5 ? -14.110 18.271 -15.553 1.00 0.00 ? 5 GLN A HG3 1 ATOM 85 H HE21 . GLN A 1 5 ? -15.801 17.152 -18.235 1.00 0.00 ? 5 GLN A HE21 1 ATOM 86 H HE22 . GLN A 1 5 ? -15.014 18.060 -19.428 1.00 0.00 ? 5 GLN A HE22 1 ATOM 87 N N . TYR A 1 6 ? -14.306 17.943 -13.346 1.00 0.00 ? 6 TYR A N 1 ATOM 88 C CA . TYR A 1 6 ? -13.088 17.769 -12.514 1.00 0.00 ? 6 TYR A CA 1 ATOM 89 C C . TYR A 1 6 ? -13.452 17.974 -11.043 1.00 0.00 ? 6 TYR A C 1 ATOM 90 O O . TYR A 1 6 ? -12.919 17.321 -10.168 1.00 0.00 ? 6 TYR A O 1 ATOM 91 C CB . TYR A 1 6 ? -12.036 18.786 -13.005 1.00 0.00 ? 6 TYR A CB 1 ATOM 92 C CG . TYR A 1 6 ? -12.296 20.188 -12.487 1.00 0.00 ? 6 TYR A CG 1 ATOM 93 C CD1 . TYR A 1 6 ? -13.337 20.975 -13.002 1.00 0.00 ? 6 TYR A CD1 1 ATOM 94 C CD2 . TYR A 1 6 ? -11.472 20.701 -11.476 1.00 0.00 ? 6 TYR A CD2 1 ATOM 95 C CE1 . TYR A 1 6 ? -13.543 22.271 -12.505 1.00 0.00 ? 6 TYR A CE1 1 ATOM 96 C CE2 . TYR A 1 6 ? -11.682 21.991 -10.982 1.00 0.00 ? 6 TYR A CE2 1 ATOM 97 C CZ . TYR A 1 6 ? -12.717 22.777 -11.497 1.00 0.00 ? 6 TYR A CZ 1 ATOM 98 O OH . TYR A 1 6 ? -12.924 24.051 -11.010 1.00 0.00 ? 6 TYR A OH 1 ATOM 99 H H . TYR A 1 6 ? -14.522 18.807 -13.731 1.00 0.00 ? 6 TYR A H 1 ATOM 100 H HA . TYR A 1 6 ? -12.711 16.771 -12.653 1.00 0.00 ? 6 TYR A HA 1 ATOM 101 H HB2 . TYR A 1 6 ? -11.060 18.468 -12.671 1.00 0.00 ? 6 TYR A HB2 1 ATOM 102 H HB3 . TYR A 1 6 ? -12.045 18.803 -14.086 1.00 0.00 ? 6 TYR A HB3 1 ATOM 103 H HD1 . TYR A 1 6 ? -13.974 20.590 -13.783 1.00 0.00 ? 6 TYR A HD1 1 ATOM 104 H HD2 . TYR A 1 6 ? -10.671 20.095 -11.077 1.00 0.00 ? 6 TYR A HD2 1 ATOM 105 H HE1 . TYR A 1 6 ? -14.342 22.880 -12.897 1.00 0.00 ? 6 TYR A HE1 1 ATOM 106 H HE2 . TYR A 1 6 ? -11.044 22.382 -10.203 1.00 0.00 ? 6 TYR A HE2 1 ATOM 107 H HH . TYR A 1 6 ? -12.199 24.605 -11.310 1.00 0.00 ? 6 TYR A HH 1 ATOM 108 N N . LEU A 1 7 ? -14.377 18.853 -10.761 1.00 0.00 ? 7 LEU A N 1 ATOM 109 C CA . LEU A 1 7 ? -14.784 19.056 -9.342 1.00 0.00 ? 7 LEU A CA 1 ATOM 110 C C . LEU A 1 7 ? -15.277 17.731 -8.754 1.00 0.00 ? 7 LEU A C 1 ATOM 111 O O . LEU A 1 7 ? -14.991 17.400 -7.620 1.00 0.00 ? 7 LEU A O 1 ATOM 112 C CB . LEU A 1 7 ? -15.924 20.074 -9.380 1.00 0.00 ? 7 LEU A CB 1 ATOM 113 C CG . LEU A 1 7 ? -15.391 21.424 -9.851 1.00 0.00 ? 7 LEU A CG 1 ATOM 114 C CD1 . LEU A 1 7 ? -16.538 22.436 -9.902 1.00 0.00 ? 7 LEU A CD1 1 ATOM 115 C CD2 . LEU A 1 7 ? -14.320 21.916 -8.876 1.00 0.00 ? 7 LEU A CD2 1 ATOM 116 H H . LEU A 1 7 ? -14.814 19.363 -11.480 1.00 0.00 ? 7 LEU A H 1 ATOM 117 H HA . LEU A 1 7 ? -13.960 19.444 -8.768 1.00 0.00 ? 7 LEU A HA 1 ATOM 118 H HB2 . LEU A 1 7 ? -16.688 19.731 -10.063 1.00 0.00 ? 7 LEU A HB2 1 ATOM 119 H HB3 . LEU A 1 7 ? -16.346 20.180 -8.392 1.00 0.00 ? 7 LEU A HB3 1 ATOM 120 H HG . LEU A 1 7 ? -14.962 21.316 -10.831 1.00 0.00 ? 7 LEU A HG 1 ATOM 121 H HD11 . LEU A 1 7 ? -16.700 22.746 -10.924 1.00 0.00 ? 7 LEU A HD11 1 ATOM 122 H HD12 . LEU A 1 7 ? -16.285 23.297 -9.301 1.00 0.00 ? 7 LEU A HD12 1 ATOM 123 H HD13 . LEU A 1 7 ? -17.438 21.980 -9.517 1.00 0.00 ? 7 LEU A HD13 1 ATOM 124 H HD21 . LEU A 1 7 ? -14.234 22.990 -8.948 1.00 0.00 ? 7 LEU A HD21 1 ATOM 125 H HD22 . LEU A 1 7 ? -13.372 21.461 -9.124 1.00 0.00 ? 7 LEU A HD22 1 ATOM 126 H HD23 . LEU A 1 7 ? -14.598 21.643 -7.869 1.00 0.00 ? 7 LEU A HD23 1 ATOM 127 N N . THR A 1 8 ? -16.019 16.970 -9.516 1.00 0.00 ? 8 THR A N 1 ATOM 128 C CA . THR A 1 8 ? -16.532 15.671 -8.999 1.00 0.00 ? 8 THR A CA 1 ATOM 129 C C . THR A 1 8 ? -15.384 14.668 -8.858 1.00 0.00 ? 8 THR A C 1 ATOM 130 O O . THR A 1 8 ? -15.299 13.939 -7.890 1.00 0.00 ? 8 THR A O 1 ATOM 131 C CB . THR A 1 8 ? -17.531 15.193 -10.051 1.00 0.00 ? 8 THR A CB 1 ATOM 132 O OG1 . THR A 1 8 ? -18.551 16.168 -10.209 1.00 0.00 ? 8 THR A OG1 1 ATOM 133 C CG2 . THR A 1 8 ? -18.155 13.871 -9.604 1.00 0.00 ? 8 THR A CG2 1 ATOM 134 H H . THR A 1 8 ? -16.241 17.253 -10.428 1.00 0.00 ? 8 THR A H 1 ATOM 135 H HA . THR A 1 8 ? -17.029 15.814 -8.057 1.00 0.00 ? 8 THR A HA 1 ATOM 136 H HB . THR A 1 8 ? -17.020 15.047 -10.989 1.00 0.00 ? 8 THR A HB 1 ATOM 137 H HG1 . THR A 1 8 ? -19.162 15.852 -10.879 1.00 0.00 ? 8 THR A HG1 1 ATOM 138 H HG21 . THR A 1 8 ? -17.474 13.356 -8.943 1.00 0.00 ? 8 THR A HG21 1 ATOM 139 H HG22 . THR A 1 8 ? -18.352 13.256 -10.469 1.00 0.00 ? 8 THR A HG22 1 ATOM 140 H HG23 . THR A 1 8 ? -19.081 14.069 -9.085 1.00 0.00 ? 8 THR A HG23 1 ATOM 141 N N . ARG A 1 9 ? -14.498 14.631 -9.815 1.00 0.00 ? 9 ARG A N 1 ATOM 142 C CA . ARG A 1 9 ? -13.351 13.682 -9.738 1.00 0.00 ? 9 ARG A CA 1 ATOM 143 C C . ARG A 1 9 ? -12.624 13.846 -8.405 1.00 0.00 ? 9 ARG A C 1 ATOM 144 O O . ARG A 1 9 ? -12.250 12.884 -7.766 1.00 0.00 ? 9 ARG A O 1 ATOM 145 C CB . ARG A 1 9 ? -12.446 14.075 -10.897 1.00 0.00 ? 9 ARG A CB 1 ATOM 146 C CG . ARG A 1 9 ? -11.188 13.205 -10.894 1.00 0.00 ? 9 ARG A CG 1 ATOM 147 C CD . ARG A 1 9 ? -10.293 13.606 -12.072 1.00 0.00 ? 9 ARG A CD 1 ATOM 148 N NE . ARG A 1 9 ? -9.092 12.728 -11.974 1.00 0.00 ? 9 ARG A NE 1 ATOM 149 C CZ . ARG A 1 9 ? -8.311 12.797 -10.929 1.00 0.00 ? 9 ARG A CZ 1 ATOM 150 N NH1 . ARG A 1 9 ? -7.346 13.674 -10.892 1.00 0.00 ? 9 ARG A NH1 1 ATOM 151 N NH2 . ARG A 1 9 ? -8.496 11.988 -9.922 1.00 0.00 ? 9 ARG A NH2 1 ATOM 152 H H . ARG A 1 9 ? -14.584 15.232 -10.583 1.00 0.00 ? 9 ARG A H 1 ATOM 153 H HA . ARG A 1 9 ? -13.686 12.674 -9.865 1.00 0.00 ? 9 ARG A HA 1 ATOM 154 H HB2 . ARG A 1 9 ? -12.976 13.941 -11.830 1.00 0.00 ? 9 ARG A HB2 1 ATOM 155 H HB3 . ARG A 1 9 ? -12.169 15.103 -10.788 1.00 0.00 ? 9 ARG A HB3 1 ATOM 156 H HG2 . ARG A 1 9 ? -10.652 13.350 -9.967 1.00 0.00 ? 9 ARG A HG2 1 ATOM 157 H HG3 . ARG A 1 9 ? -11.466 12.167 -10.992 1.00 0.00 ? 9 ARG A HG3 1 ATOM 158 H HD2 . ARG A 1 9 ? -10.809 13.437 -13.007 1.00 0.00 ? 9 ARG A HD2 1 ATOM 159 H HD3 . ARG A 1 9 ? -10.001 14.641 -11.985 1.00 0.00 ? 9 ARG A HD3 1 ATOM 160 H HE . ARG A 1 9 ? -8.887 12.098 -12.696 1.00 0.00 ? 9 ARG A HE 1 ATOM 161 H HH11 . ARG A 1 9 ? -7.204 14.294 -11.664 1.00 0.00 ? 9 ARG A HH11 1 ATOM 162 H HH12 . ARG A 1 9 ? -6.748 13.727 -10.092 1.00 0.00 ? 9 ARG A HH12 1 ATOM 163 H HH21 . ARG A 1 9 ? -9.235 11.315 -9.950 1.00 0.00 ? 9 ARG A HH21 1 ATOM 164 H HH22 . ARG A 1 9 ? -7.898 12.041 -9.122 1.00 0.00 ? 9 ARG A HH22 1 ATOM 165 N N . SER A 1 10 ? -12.427 15.061 -7.980 1.00 0.00 ? 10 SER A N 1 ATOM 166 C CA . SER A 1 10 ? -11.731 15.297 -6.690 1.00 0.00 ? 10 SER A CA 1 ATOM 167 C C . SER A 1 10 ? -12.724 15.235 -5.522 1.00 0.00 ? 10 SER A C 1 ATOM 168 O O . SER A 1 10 ? -12.339 15.255 -4.370 1.00 0.00 ? 10 SER A O 1 ATOM 169 C CB . SER A 1 10 ? -11.136 16.698 -6.815 1.00 0.00 ? 10 SER A CB 1 ATOM 170 O OG . SER A 1 10 ? -12.185 17.635 -7.024 1.00 0.00 ? 10 SER A OG 1 ATOM 171 H H . SER A 1 10 ? -12.739 15.819 -8.509 1.00 0.00 ? 10 SER A H 1 ATOM 172 H HA . SER A 1 10 ? -10.946 14.577 -6.557 1.00 0.00 ? 10 SER A HA 1 ATOM 173 H HB2 . SER A 1 10 ? -10.611 16.951 -5.909 1.00 0.00 ? 10 SER A HB2 1 ATOM 174 H HB3 . SER A 1 10 ? -10.446 16.722 -7.648 1.00 0.00 ? 10 SER A HB3 1 ATOM 175 H HG . SER A 1 10 ? -11.799 18.436 -7.387 1.00 0.00 ? 10 SER A HG 1 ATOM 176 N N . ALA A 1 11 ? -14.000 15.172 -5.805 1.00 0.00 ? 11 ALA A N 1 ATOM 177 C CA . ALA A 1 11 ? -15.003 15.123 -4.708 1.00 0.00 ? 11 ALA A CA 1 ATOM 178 C C . ALA A 1 11 ? -15.091 13.715 -4.108 1.00 0.00 ? 11 ALA A C 1 ATOM 179 O O . ALA A 1 11 ? -15.380 13.549 -2.939 1.00 0.00 ? 11 ALA A O 1 ATOM 180 C CB . ALA A 1 11 ? -16.327 15.504 -5.371 1.00 0.00 ? 11 ALA A CB 1 ATOM 181 H H . ALA A 1 11 ? -14.299 15.167 -6.735 1.00 0.00 ? 11 ALA A H 1 ATOM 182 H HA . ALA A 1 11 ? -14.756 15.842 -3.949 1.00 0.00 ? 11 ALA A HA 1 ATOM 183 H HB1 . ALA A 1 11 ? -17.139 15.326 -4.682 1.00 0.00 ? 11 ALA A HB1 1 ATOM 184 H HB2 . ALA A 1 11 ? -16.470 14.907 -6.259 1.00 0.00 ? 11 ALA A HB2 1 ATOM 185 H HB3 . ALA A 1 11 ? -16.306 16.550 -5.641 1.00 0.00 ? 11 ALA A HB3 1 ATOM 186 N N . ILE A 1 12 ? -14.858 12.699 -4.894 1.00 0.00 ? 12 ILE A N 1 ATOM 187 C CA . ILE A 1 12 ? -14.947 11.315 -4.361 1.00 0.00 ? 12 ILE A CA 1 ATOM 188 C C . ILE A 1 12 ? -13.564 10.649 -4.343 1.00 0.00 ? 12 ILE A C 1 ATOM 189 O O . ILE A 1 12 ? -13.227 9.931 -3.424 1.00 0.00 ? 12 ILE A O 1 ATOM 190 C CB . ILE A 1 12 ? -15.898 10.559 -5.296 1.00 0.00 ? 12 ILE A CB 1 ATOM 191 C CG1 . ILE A 1 12 ? -17.328 11.119 -5.190 1.00 0.00 ? 12 ILE A CG1 1 ATOM 192 C CG2 . ILE A 1 12 ? -15.920 9.074 -4.922 1.00 0.00 ? 12 ILE A CG2 1 ATOM 193 C CD1 . ILE A 1 12 ? -17.399 12.528 -5.784 1.00 0.00 ? 12 ILE A CD1 1 ATOM 194 H H . ILE A 1 12 ? -14.638 12.844 -5.830 1.00 0.00 ? 12 ILE A H 1 ATOM 195 H HA . ILE A 1 12 ? -15.358 11.335 -3.381 1.00 0.00 ? 12 ILE A HA 1 ATOM 196 H HB . ILE A 1 12 ? -15.547 10.666 -6.303 1.00 0.00 ? 12 ILE A HB 1 ATOM 197 H HG12 . ILE A 1 12 ? -18.004 10.471 -5.728 1.00 0.00 ? 12 ILE A HG12 1 ATOM 198 H HG13 . ILE A 1 12 ? -17.620 11.155 -4.151 1.00 0.00 ? 12 ILE A HG13 1 ATOM 199 H HG21 . ILE A 1 12 ? -15.952 8.975 -3.847 1.00 0.00 ? 12 ILE A HG21 1 ATOM 200 H HG22 . ILE A 1 12 ? -15.030 8.594 -5.302 1.00 0.00 ? 12 ILE A HG22 1 ATOM 201 H HG23 . ILE A 1 12 ? -16.793 8.606 -5.353 1.00 0.00 ? 12 ILE A HG23 1 ATOM 202 H HD11 . ILE A 1 12 ? -18.342 12.655 -6.296 1.00 0.00 ? 12 ILE A HD11 1 ATOM 203 H HD12 . ILE A 1 12 ? -16.588 12.665 -6.484 1.00 0.00 ? 12 ILE A HD12 1 ATOM 204 H HD13 . ILE A 1 12 ? -17.318 13.257 -4.992 1.00 0.00 ? 12 ILE A HD13 1 ATOM 205 N N . ARG A 1 13 ? -12.766 10.868 -5.350 1.00 0.00 ? 13 ARG A N 1 ATOM 206 C CA . ARG A 1 13 ? -11.420 10.227 -5.375 1.00 0.00 ? 13 ARG A CA 1 ATOM 207 C C . ARG A 1 13 ? -10.551 10.763 -4.237 1.00 0.00 ? 13 ARG A C 1 ATOM 208 O O . ARG A 1 13 ? -9.899 10.015 -3.540 1.00 0.00 ? 13 ARG A O 1 ATOM 209 C CB . ARG A 1 13 ? -10.820 10.598 -6.731 1.00 0.00 ? 13 ARG A CB 1 ATOM 210 C CG . ARG A 1 13 ? -11.731 10.094 -7.853 1.00 0.00 ? 13 ARG A CG 1 ATOM 211 C CD . ARG A 1 13 ? -11.868 8.578 -7.760 1.00 0.00 ? 13 ARG A CD 1 ATOM 212 N NE . ARG A 1 13 ? -12.731 8.187 -8.912 1.00 0.00 ? 13 ARG A NE 1 ATOM 213 C CZ . ARG A 1 13 ? -12.340 8.424 -10.137 1.00 0.00 ? 13 ARG A CZ 1 ATOM 214 N NH1 . ARG A 1 13 ? -11.291 7.814 -10.617 1.00 0.00 ? 13 ARG A NH1 1 ATOM 215 N NH2 . ARG A 1 13 ? -12.997 9.273 -10.878 1.00 0.00 ? 13 ARG A NH2 1 ATOM 216 H H . ARG A 1 13 ? -13.050 11.441 -6.089 1.00 0.00 ? 13 ARG A H 1 ATOM 217 H HA . ARG A 1 13 ? -11.517 9.158 -5.293 1.00 0.00 ? 13 ARG A HA 1 ATOM 218 H HB2 . ARG A 1 13 ? -10.722 11.672 -6.799 1.00 0.00 ? 13 ARG A HB2 1 ATOM 219 H HB3 . ARG A 1 13 ? -9.847 10.142 -6.830 1.00 0.00 ? 13 ARG A HB3 1 ATOM 220 H HG2 . ARG A 1 13 ? -12.705 10.550 -7.763 1.00 0.00 ? 13 ARG A HG2 1 ATOM 221 H HG3 . ARG A 1 13 ? -11.305 10.348 -8.802 1.00 0.00 ? 13 ARG A HG3 1 ATOM 222 H HD2 . ARG A 1 13 ? -10.897 8.107 -7.835 1.00 0.00 ? 13 ARG A HD2 1 ATOM 223 H HD3 . ARG A 1 13 ? -12.343 8.312 -6.839 1.00 0.00 ? 13 ARG A HD3 1 ATOM 224 H HE . ARG A 1 13 ? -13.594 7.750 -8.750 1.00 0.00 ? 13 ARG A HE 1 ATOM 225 H HH11 . ARG A 1 13 ? -10.786 7.164 -10.049 1.00 0.00 ? 13 ARG A HH11 1 ATOM 226 H HH12 . ARG A 1 13 ? -10.991 7.998 -11.553 1.00 0.00 ? 13 ARG A HH12 1 ATOM 227 H HH21 . ARG A 1 13 ? -13.799 9.743 -10.509 1.00 0.00 ? 13 ARG A HH21 1 ATOM 228 H HH22 . ARG A 1 13 ? -12.699 9.452 -11.816 1.00 0.00 ? 13 ARG A HH22 1 ATOM 229 N N . ARG A 1 14 ? -10.534 12.051 -4.038 1.00 0.00 ? 14 ARG A N 1 ATOM 230 C CA . ARG A 1 14 ? -9.705 12.613 -2.943 1.00 0.00 ? 14 ARG A CA 1 ATOM 231 C C . ARG A 1 14 ? -10.528 12.723 -1.655 1.00 0.00 ? 14 ARG A C 1 ATOM 232 O O . ARG A 1 14 ? -10.266 13.552 -0.806 1.00 0.00 ? 14 ARG A O 1 ATOM 233 C CB . ARG A 1 14 ? -9.279 13.996 -3.434 1.00 0.00 ? 14 ARG A CB 1 ATOM 234 C CG . ARG A 1 14 ? -8.509 13.849 -4.753 1.00 0.00 ? 14 ARG A CG 1 ATOM 235 C CD . ARG A 1 14 ? -8.177 15.224 -5.359 1.00 0.00 ? 14 ARG A CD 1 ATOM 236 N NE . ARG A 1 14 ? -7.023 15.770 -4.580 1.00 0.00 ? 14 ARG A NE 1 ATOM 237 C CZ . ARG A 1 14 ? -7.162 16.108 -3.330 1.00 0.00 ? 14 ARG A CZ 1 ATOM 238 N NH1 . ARG A 1 14 ? -7.934 17.109 -3.005 1.00 0.00 ? 14 ARG A NH1 1 ATOM 239 N NH2 . ARG A 1 14 ? -6.531 15.442 -2.402 1.00 0.00 ? 14 ARG A NH2 1 ATOM 240 H H . ARG A 1 14 ? -11.061 12.643 -4.604 1.00 0.00 ? 14 ARG A H 1 ATOM 241 H HA . ARG A 1 14 ? -8.841 11.994 -2.786 1.00 0.00 ? 14 ARG A HA 1 ATOM 242 H HB2 . ARG A 1 14 ? -10.156 14.609 -3.590 1.00 0.00 ? 14 ARG A HB2 1 ATOM 243 H HB3 . ARG A 1 14 ? -8.650 14.450 -2.691 1.00 0.00 ? 14 ARG A HB3 1 ATOM 244 H HG2 . ARG A 1 14 ? -7.590 13.313 -4.568 1.00 0.00 ? 14 ARG A HG2 1 ATOM 245 H HG3 . ARG A 1 14 ? -9.111 13.289 -5.453 1.00 0.00 ? 14 ARG A HG3 1 ATOM 246 H HD2 . ARG A 1 14 ? -7.904 15.113 -6.399 1.00 0.00 ? 14 ARG A HD2 1 ATOM 247 H HD3 . ARG A 1 14 ? -9.026 15.885 -5.267 1.00 0.00 ? 14 ARG A HD3 1 ATOM 248 H HE . ARG A 1 14 ? -6.151 15.875 -5.015 1.00 0.00 ? 14 ARG A HE 1 ATOM 249 H HH11 . ARG A 1 14 ? -8.419 17.618 -3.717 1.00 0.00 ? 14 ARG A HH11 1 ATOM 250 H HH12 . ARG A 1 14 ? -8.041 17.367 -2.045 1.00 0.00 ? 14 ARG A HH12 1 ATOM 251 H HH21 . ARG A 1 14 ? -5.942 14.673 -2.652 1.00 0.00 ? 14 ARG A HH21 1 ATOM 252 H HH22 . ARG A 1 14 ? -6.634 15.702 -1.442 1.00 0.00 ? 14 ARG A HH22 1 ATOM 253 N N . ALA A 1 15 ? -11.517 11.887 -1.503 1.00 0.00 ? 15 ALA A N 1 ATOM 254 C CA . ALA A 1 15 ? -12.355 11.928 -0.278 1.00 0.00 ? 15 ALA A CA 1 ATOM 255 C C . ALA A 1 15 ? -12.803 10.511 0.095 1.00 0.00 ? 15 ALA A C 1 ATOM 256 O O . ALA A 1 15 ? -12.839 10.145 1.253 1.00 0.00 ? 15 ALA A O 1 ATOM 257 C CB . ALA A 1 15 ? -13.558 12.797 -0.644 1.00 0.00 ? 15 ALA A CB 1 ATOM 258 H H . ALA A 1 15 ? -11.705 11.229 -2.190 1.00 0.00 ? 15 ALA A H 1 ATOM 259 H HA . ALA A 1 15 ? -11.807 12.374 0.528 1.00 0.00 ? 15 ALA A HA 1 ATOM 260 H HB1 . ALA A 1 15 ? -13.423 13.198 -1.638 1.00 0.00 ? 15 ALA A HB1 1 ATOM 261 H HB2 . ALA A 1 15 ? -13.644 13.609 0.063 1.00 0.00 ? 15 ALA A HB2 1 ATOM 262 H HB3 . ALA A 1 15 ? -14.457 12.199 -0.617 1.00 0.00 ? 15 ALA A HB3 1 ATOM 263 N N . SER A 1 16 ? -13.150 9.714 -0.880 1.00 0.00 ? 16 SER A N 1 ATOM 264 C CA . SER A 1 16 ? -13.599 8.329 -0.592 1.00 0.00 ? 16 SER A CA 1 ATOM 265 C C . SER A 1 16 ? -12.463 7.318 -0.768 1.00 0.00 ? 16 SER A C 1 ATOM 266 O O . SER A 1 16 ? -12.650 6.129 -0.607 1.00 0.00 ? 16 SER A O 1 ATOM 267 C CB . SER A 1 16 ? -14.695 8.058 -1.599 1.00 0.00 ? 16 SER A CB 1 ATOM 268 O OG . SER A 1 16 ? -15.807 8.901 -1.331 1.00 0.00 ? 16 SER A OG 1 ATOM 269 H H . SER A 1 16 ? -13.122 10.028 -1.799 1.00 0.00 ? 16 SER A H 1 ATOM 270 H HA . SER A 1 16 ? -13.996 8.275 0.394 1.00 0.00 ? 16 SER A HA 1 ATOM 271 H HB2 . SER A 1 16 ? -14.326 8.263 -2.581 1.00 0.00 ? 16 SER A HB2 1 ATOM 272 H HB3 . SER A 1 16 ? -14.982 7.023 -1.535 1.00 0.00 ? 16 SER A HB3 1 ATOM 273 H HG . SER A 1 16 ? -16.492 8.703 -1.974 1.00 0.00 ? 16 SER A HG 1 ATOM 274 N N . THR A 1 17 ? -11.293 7.773 -1.100 1.00 0.00 ? 17 THR A N 1 ATOM 275 C CA . THR A 1 17 ? -10.158 6.833 -1.289 1.00 0.00 ? 17 THR A CA 1 ATOM 276 C C . THR A 1 17 ? -8.976 7.230 -0.398 1.00 0.00 ? 17 THR A C 1 ATOM 277 O O . THR A 1 17 ? -8.043 6.472 -0.221 1.00 0.00 ? 17 THR A O 1 ATOM 278 C CB . THR A 1 17 ? -9.778 6.961 -2.764 1.00 0.00 ? 17 THR A CB 1 ATOM 279 O OG1 . THR A 1 17 ? -10.899 6.630 -3.572 1.00 0.00 ? 17 THR A OG1 1 ATOM 280 C CG2 . THR A 1 17 ? -8.621 6.011 -3.078 1.00 0.00 ? 17 THR A CG2 1 ATOM 281 H H . THR A 1 17 ? -11.166 8.721 -1.239 1.00 0.00 ? 17 THR A H 1 ATOM 282 H HA . THR A 1 17 ? -10.471 5.831 -1.074 1.00 0.00 ? 17 THR A HA 1 ATOM 283 H HB . THR A 1 17 ? -9.469 7.976 -2.968 1.00 0.00 ? 17 THR A HB 1 ATOM 284 H HG1 . THR A 1 17 ? -11.577 7.294 -3.425 1.00 0.00 ? 17 THR A HG1 1 ATOM 285 H HG21 . THR A 1 17 ? -8.743 5.615 -4.075 1.00 0.00 ? 17 THR A HG21 1 ATOM 286 H HG22 . THR A 1 17 ? -8.619 5.199 -2.366 1.00 0.00 ? 17 THR A HG22 1 ATOM 287 H HG23 . THR A 1 17 ? -7.686 6.548 -3.015 1.00 0.00 ? 17 THR A HG23 1 ATOM 288 N N . ILE A 1 18 ? -9.010 8.401 0.177 1.00 0.00 ? 18 ILE A N 1 ATOM 289 C CA . ILE A 1 18 ? -7.900 8.825 1.061 1.00 0.00 ? 18 ILE A CA 1 ATOM 290 C C . ILE A 1 18 ? -8.381 8.870 2.516 1.00 0.00 ? 18 ILE A C 1 ATOM 291 O O . ILE A 1 18 ? -7.592 8.840 3.440 1.00 0.00 ? 18 ILE A O 1 ATOM 292 C CB . ILE A 1 18 ? -7.510 10.220 0.577 1.00 0.00 ? 18 ILE A CB 1 ATOM 293 C CG1 . ILE A 1 18 ? -6.332 10.735 1.407 1.00 0.00 ? 18 ILE A CG1 1 ATOM 294 C CG2 . ILE A 1 18 ? -8.696 11.170 0.739 1.00 0.00 ? 18 ILE A CG2 1 ATOM 295 C CD1 . ILE A 1 18 ? -5.145 9.782 1.255 1.00 0.00 ? 18 ILE A CD1 1 ATOM 296 H H . ILE A 1 18 ? -9.763 8.995 0.035 1.00 0.00 ? 18 ILE A H 1 ATOM 297 H HA . ILE A 1 18 ? -7.072 8.153 0.958 1.00 0.00 ? 18 ILE A HA 1 ATOM 298 H HB . ILE A 1 18 ? -7.228 10.172 -0.465 1.00 0.00 ? 18 ILE A HB 1 ATOM 299 H HG12 . ILE A 1 18 ? -6.051 11.719 1.061 1.00 0.00 ? 18 ILE A HG12 1 ATOM 300 H HG13 . ILE A 1 18 ? -6.619 10.786 2.446 1.00 0.00 ? 18 ILE A HG13 1 ATOM 301 H HG21 . ILE A 1 18 ? -8.452 11.930 1.467 1.00 0.00 ? 18 ILE A HG21 1 ATOM 302 H HG22 . ILE A 1 18 ? -9.560 10.615 1.074 1.00 0.00 ? 18 ILE A HG22 1 ATOM 303 H HG23 . ILE A 1 18 ? -8.914 11.638 -0.208 1.00 0.00 ? 18 ILE A HG23 1 ATOM 304 H HD11 . ILE A 1 18 ? -5.279 8.934 1.910 1.00 0.00 ? 18 ILE A HD11 1 ATOM 305 H HD12 . ILE A 1 18 ? -4.233 10.298 1.517 1.00 0.00 ? 18 ILE A HD12 1 ATOM 306 H HD13 . ILE A 1 18 ? -5.085 9.442 0.232 1.00 0.00 ? 18 ILE A HD13 1 ATOM 307 N N . GLU A 1 19 ? -9.671 8.939 2.729 1.00 0.00 ? 19 GLU A N 1 ATOM 308 C CA . GLU A 1 19 ? -10.191 8.985 4.119 1.00 0.00 ? 19 GLU A CA 1 ATOM 309 C C . GLU A 1 19 ? -10.752 7.620 4.528 1.00 0.00 ? 19 GLU A C 1 ATOM 310 O O . GLU A 1 19 ? -10.894 7.323 5.697 1.00 0.00 ? 19 GLU A O 1 ATOM 311 C CB . GLU A 1 19 ? -11.293 10.034 4.097 1.00 0.00 ? 19 GLU A CB 1 ATOM 312 C CG . GLU A 1 19 ? -10.701 11.392 3.720 1.00 0.00 ? 19 GLU A CG 1 ATOM 313 C CD . GLU A 1 19 ? -9.634 11.784 4.744 1.00 0.00 ? 19 GLU A CD 1 ATOM 314 O OE1 . GLU A 1 19 ? -9.973 11.892 5.911 1.00 0.00 ? 19 GLU A OE1 1 ATOM 315 O OE2 . GLU A 1 19 ? -8.497 11.970 4.344 1.00 0.00 ? 19 GLU A OE2 1 ATOM 316 H H . GLU A 1 19 ? -10.295 8.962 1.978 1.00 0.00 ? 19 GLU A H 1 ATOM 317 H HA . GLU A 1 19 ? -9.421 9.289 4.787 1.00 0.00 ? 19 GLU A HA 1 ATOM 318 H HB2 . GLU A 1 19 ? -12.029 9.748 3.372 1.00 0.00 ? 19 GLU A HB2 1 ATOM 319 H HB3 . GLU A 1 19 ? -11.751 10.099 5.073 1.00 0.00 ? 19 GLU A HB3 1 ATOM 320 H HG2 . GLU A 1 19 ? -10.254 11.330 2.739 1.00 0.00 ? 19 GLU A HG2 1 ATOM 321 H HG3 . GLU A 1 19 ? -11.482 12.137 3.714 1.00 0.00 ? 19 GLU A HG3 1 ATOM 322 N N . MET A 1 20 ? -11.073 6.790 3.575 1.00 0.00 ? 20 MET A N 1 ATOM 323 C CA . MET A 1 20 ? -11.625 5.448 3.915 1.00 0.00 ? 20 MET A CA 1 ATOM 324 C C . MET A 1 20 ? -11.128 4.397 2.913 1.00 0.00 ? 20 MET A C 1 ATOM 325 O O . MET A 1 20 ? -11.917 3.706 2.300 1.00 0.00 ? 20 MET A O 1 ATOM 326 C CB . MET A 1 20 ? -13.142 5.611 3.822 1.00 0.00 ? 20 MET A CB 1 ATOM 327 C CG . MET A 1 20 ? -13.522 6.092 2.421 1.00 0.00 ? 20 MET A CG 1 ATOM 328 S SD . MET A 1 20 ? -15.319 6.275 2.311 1.00 0.00 ? 20 MET A SD 1 ATOM 329 C CE . MET A 1 20 ? -15.744 4.550 2.652 1.00 0.00 ? 20 MET A CE 1 ATOM 330 H H . MET A 1 20 ? -10.952 7.047 2.638 1.00 0.00 ? 20 MET A H 1 ATOM 331 H HA . MET A 1 20 ? -11.346 5.170 4.919 1.00 0.00 ? 20 MET A HA 1 ATOM 332 H HB2 . MET A 1 20 ? -13.618 4.661 4.020 1.00 0.00 ? 20 MET A HB2 1 ATOM 333 H HB3 . MET A 1 20 ? -13.471 6.336 4.551 1.00 0.00 ? 20 MET A HB3 1 ATOM 334 H HG2 . MET A 1 20 ? -13.051 7.045 2.229 1.00 0.00 ? 20 MET A HG2 1 ATOM 335 H HG3 . MET A 1 20 ? -13.188 5.372 1.689 1.00 0.00 ? 20 MET A HG3 1 ATOM 336 H HE1 . MET A 1 20 ? -14.840 3.957 2.685 1.00 0.00 ? 20 MET A HE1 1 ATOM 337 H HE2 . MET A 1 20 ? -16.388 4.175 1.873 1.00 0.00 ? 20 MET A HE2 1 ATOM 338 H HE3 . MET A 1 20 ? -16.256 4.487 3.603 1.00 0.00 ? 20 MET A HE3 1 ATOM 339 N N . PRO A 1 21 ? -9.826 4.305 2.782 1.00 0.00 ? 21 PRO A N 1 ATOM 340 C CA . PRO A 1 21 ? -9.229 3.321 1.848 1.00 0.00 ? 21 PRO A CA 1 ATOM 341 C C . PRO A 1 21 ? -9.401 1.905 2.399 1.00 0.00 ? 21 PRO A C 1 ATOM 342 O O . PRO A 1 21 ? -9.496 0.946 1.659 1.00 0.00 ? 21 PRO A O 1 ATOM 343 C CB . PRO A 1 21 ? -7.755 3.717 1.800 1.00 0.00 ? 21 PRO A CB 1 ATOM 344 C CG . PRO A 1 21 ? -7.505 4.430 3.084 1.00 0.00 ? 21 PRO A CG 1 ATOM 345 C CD . PRO A 1 21 ? -8.800 5.092 3.479 1.00 0.00 ? 21 PRO A CD 1 ATOM 346 H HA . PRO A 1 21 ? -9.669 3.408 0.867 1.00 0.00 ? 21 PRO A HA 1 ATOM 347 H HB2 . PRO A 1 21 ? -7.132 2.836 1.729 1.00 0.00 ? 21 PRO A HB2 1 ATOM 348 H HB3 . PRO A 1 21 ? -7.568 4.376 0.976 1.00 0.00 ? 21 PRO A HB3 1 ATOM 349 H HG2 . PRO A 1 21 ? -7.202 3.723 3.834 1.00 0.00 ? 21 PRO A HG2 1 ATOM 350 H HG3 . PRO A 1 21 ? -6.740 5.179 2.949 1.00 0.00 ? 21 PRO A HG3 1 ATOM 351 H HD2 . PRO A 1 21 ? -8.940 5.039 4.551 1.00 0.00 ? 21 PRO A HD2 1 ATOM 352 H HD3 . PRO A 1 21 ? -8.824 6.115 3.140 1.00 0.00 ? 21 PRO A HD3 1 ATOM 353 N N . GLN A 1 22 ? -9.450 1.769 3.696 1.00 0.00 ? 22 GLN A N 1 ATOM 354 C CA . GLN A 1 22 ? -9.625 0.418 4.298 1.00 0.00 ? 22 GLN A CA 1 ATOM 355 C C . GLN A 1 22 ? -11.112 0.070 4.382 1.00 0.00 ? 22 GLN A C 1 ATOM 356 O O . GLN A 1 22 ? -11.500 -1.074 4.262 1.00 0.00 ? 22 GLN A O 1 ATOM 357 C CB . GLN A 1 22 ? -9.018 0.525 5.688 1.00 0.00 ? 22 GLN A CB 1 ATOM 358 C CG . GLN A 1 22 ? -7.535 0.892 5.577 1.00 0.00 ? 22 GLN A CG 1 ATOM 359 C CD . GLN A 1 22 ? -6.897 1.016 6.972 1.00 0.00 ? 22 GLN A CD 1 ATOM 360 O OE1 . GLN A 1 22 ? -5.719 1.295 7.079 1.00 0.00 ? 22 GLN A OE1 1 ATOM 361 N NE2 . GLN A 1 22 ? -7.613 0.827 8.054 1.00 0.00 ? 22 GLN A NE2 1 ATOM 362 H H . GLN A 1 22 ? -9.376 2.557 4.274 1.00 0.00 ? 22 GLN A H 1 ATOM 363 H HA . GLN A 1 22 ? -9.097 -0.318 3.728 1.00 0.00 ? 22 GLN A HA 1 ATOM 364 H HB2 . GLN A 1 22 ? -9.537 1.286 6.236 1.00 0.00 ? 22 GLN A HB2 1 ATOM 365 H HB3 . GLN A 1 22 ? -9.116 -0.421 6.200 1.00 0.00 ? 22 GLN A HB3 1 ATOM 366 H HG2 . GLN A 1 22 ? -7.020 0.125 5.016 1.00 0.00 ? 22 GLN A HG2 1 ATOM 367 H HG3 . GLN A 1 22 ? -7.441 1.835 5.059 1.00 0.00 ? 22 GLN A HG3 1 ATOM 368 H HE21 . GLN A 1 22 ? -8.563 0.605 7.989 1.00 0.00 ? 22 GLN A HE21 1 ATOM 369 H HE22 . GLN A 1 22 ? -7.193 0.910 8.935 1.00 0.00 ? 22 GLN A HE22 1 ATOM 370 N N . GLN A 1 23 ? -11.948 1.051 4.585 1.00 0.00 ? 23 GLN A N 1 ATOM 371 C CA . GLN A 1 23 ? -13.407 0.782 4.672 1.00 0.00 ? 23 GLN A CA 1 ATOM 372 C C . GLN A 1 23 ? -14.004 0.688 3.267 1.00 0.00 ? 23 GLN A C 1 ATOM 373 O O . GLN A 1 23 ? -14.733 -0.231 2.951 1.00 0.00 ? 23 GLN A O 1 ATOM 374 C CB . GLN A 1 23 ? -13.982 1.975 5.425 1.00 0.00 ? 23 GLN A CB 1 ATOM 375 C CG . GLN A 1 23 ? -15.503 1.839 5.555 1.00 0.00 ? 23 GLN A CG 1 ATOM 376 C CD . GLN A 1 23 ? -15.847 0.611 6.403 1.00 0.00 ? 23 GLN A CD 1 ATOM 377 O OE1 . GLN A 1 23 ? -15.531 -0.504 6.041 1.00 0.00 ? 23 GLN A OE1 1 ATOM 378 N NE2 . GLN A 1 23 ? -16.489 0.773 7.528 1.00 0.00 ? 23 GLN A NE2 1 ATOM 379 H H . GLN A 1 23 ? -11.617 1.963 4.677 1.00 0.00 ? 23 GLN A H 1 ATOM 380 H HA . GLN A 1 23 ? -13.584 -0.114 5.219 1.00 0.00 ? 23 GLN A HA 1 ATOM 381 H HB2 . GLN A 1 23 ? -13.540 2.024 6.410 1.00 0.00 ? 23 GLN A HB2 1 ATOM 382 H HB3 . GLN A 1 23 ? -13.749 2.870 4.885 1.00 0.00 ? 23 GLN A HB3 1 ATOM 383 H HG2 . GLN A 1 23 ? -15.903 2.725 6.026 1.00 0.00 ? 23 GLN A HG2 1 ATOM 384 H HG3 . GLN A 1 23 ? -15.938 1.727 4.573 1.00 0.00 ? 23 GLN A HG3 1 ATOM 385 H HE21 . GLN A 1 23 ? -16.745 1.672 7.821 1.00 0.00 ? 23 GLN A HE21 1 ATOM 386 H HE22 . GLN A 1 23 ? -16.714 -0.005 8.079 1.00 0.00 ? 23 GLN A HE22 1 ATOM 387 N N . ALA A 1 24 ? -13.693 1.632 2.419 1.00 0.00 ? 24 ALA A N 1 ATOM 388 C CA . ALA A 1 24 ? -14.233 1.597 1.030 1.00 0.00 ? 24 ALA A CA 1 ATOM 389 C C . ALA A 1 24 ? -13.927 0.244 0.384 1.00 0.00 ? 24 ALA A C 1 ATOM 390 O O . ALA A 1 24 ? -14.770 -0.355 -0.255 1.00 0.00 ? 24 ALA A O 1 ATOM 391 C CB . ALA A 1 24 ? -13.505 2.722 0.292 1.00 0.00 ? 24 ALA A CB 1 ATOM 392 H H . ALA A 1 24 ? -13.099 2.361 2.695 1.00 0.00 ? 24 ALA A H 1 ATOM 393 H HA . ALA A 1 24 ? -15.295 1.784 1.034 1.00 0.00 ? 24 ALA A HA 1 ATOM 394 H HB1 . ALA A 1 24 ? -13.711 2.651 -0.765 1.00 0.00 ? 24 ALA A HB1 1 ATOM 395 H HB2 . ALA A 1 24 ? -12.441 2.631 0.458 1.00 0.00 ? 24 ALA A HB2 1 ATOM 396 H HB3 . ALA A 1 24 ? -13.847 3.677 0.663 1.00 0.00 ? 24 ALA A HB3 1 ATOM 397 N N . ARG A 1 25 ? -12.728 -0.247 0.551 1.00 0.00 ? 25 ARG A N 1 ATOM 398 C CA . ARG A 1 25 ? -12.375 -1.563 -0.048 1.00 0.00 ? 25 ARG A CA 1 ATOM 399 C C . ARG A 1 25 ? -13.317 -2.647 0.477 1.00 0.00 ? 25 ARG A C 1 ATOM 400 O O . ARG A 1 25 ? -13.824 -3.460 -0.269 1.00 0.00 ? 25 ARG A O 1 ATOM 401 C CB . ARG A 1 25 ? -10.945 -1.833 0.398 1.00 0.00 ? 25 ARG A CB 1 ATOM 402 C CG . ARG A 1 25 ? -10.486 -3.186 -0.149 1.00 0.00 ? 25 ARG A CG 1 ATOM 403 C CD . ARG A 1 25 ? -9.032 -3.439 0.259 1.00 0.00 ? 25 ARG A CD 1 ATOM 404 N NE . ARG A 1 25 ? -8.256 -2.344 -0.386 1.00 0.00 ? 25 ARG A NE 1 ATOM 405 C CZ . ARG A 1 25 ? -6.960 -2.291 -0.243 1.00 0.00 ? 25 ARG A CZ 1 ATOM 406 N NH1 . ARG A 1 25 ? -6.441 -1.648 0.767 1.00 0.00 ? 25 ARG A NH1 1 ATOM 407 N NH2 . ARG A 1 25 ? -6.185 -2.883 -1.109 1.00 0.00 ? 25 ARG A NH2 1 ATOM 408 H H . ARG A 1 25 ? -12.063 0.248 1.074 1.00 0.00 ? 25 ARG A H 1 ATOM 409 H HA . ARG A 1 25 ? -12.416 -1.512 -1.115 1.00 0.00 ? 25 ARG A HA 1 ATOM 410 H HB2 . ARG A 1 25 ? -10.298 -1.052 0.029 1.00 0.00 ? 25 ARG A HB2 1 ATOM 411 H HB3 . ARG A 1 25 ? -10.912 -1.851 1.468 1.00 0.00 ? 25 ARG A HB3 1 ATOM 412 H HG2 . ARG A 1 25 ? -11.115 -3.968 0.252 1.00 0.00 ? 25 ARG A HG2 1 ATOM 413 H HG3 . ARG A 1 25 ? -10.560 -3.182 -1.226 1.00 0.00 ? 25 ARG A HG3 1 ATOM 414 H HD2 . ARG A 1 25 ? -8.931 -3.391 1.335 1.00 0.00 ? 25 ARG A HD2 1 ATOM 415 H HD3 . ARG A 1 25 ? -8.698 -4.396 -0.110 1.00 0.00 ? 25 ARG A HD3 1 ATOM 416 H HE . ARG A 1 25 ? -8.718 -1.665 -0.920 1.00 0.00 ? 25 ARG A HE 1 ATOM 417 H HH11 . ARG A 1 25 ? -7.035 -1.196 1.431 1.00 0.00 ? 25 ARG A HH11 1 ATOM 418 H HH12 . ARG A 1 25 ? -5.448 -1.608 0.876 1.00 0.00 ? 25 ARG A HH12 1 ATOM 419 H HH21 . ARG A 1 25 ? -6.583 -3.377 -1.882 1.00 0.00 ? 25 ARG A HH21 1 ATOM 420 H HH22 . ARG A 1 25 ? -5.191 -2.842 -1.000 1.00 0.00 ? 25 ARG A HH22 1 ATOM 421 N N . GLN A 1 26 ? -13.559 -2.659 1.759 1.00 0.00 ? 26 GLN A N 1 ATOM 422 C CA . GLN A 1 26 ? -14.471 -3.681 2.338 1.00 0.00 ? 26 GLN A CA 1 ATOM 423 C C . GLN A 1 26 ? -15.908 -3.413 1.893 1.00 0.00 ? 26 GLN A C 1 ATOM 424 O O . GLN A 1 26 ? -16.628 -4.309 1.501 1.00 0.00 ? 26 GLN A O 1 ATOM 425 C CB . GLN A 1 26 ? -14.336 -3.511 3.843 1.00 0.00 ? 26 GLN A CB 1 ATOM 426 C CG . GLN A 1 26 ? -12.882 -3.738 4.249 1.00 0.00 ? 26 GLN A CG 1 ATOM 427 C CD . GLN A 1 26 ? -12.467 -5.167 3.892 1.00 0.00 ? 26 GLN A CD 1 ATOM 428 O OE1 . GLN A 1 26 ? -13.041 -6.119 4.382 1.00 0.00 ? 26 GLN A OE1 1 ATOM 429 N NE2 . GLN A 1 26 ? -11.488 -5.358 3.051 1.00 0.00 ? 26 GLN A NE2 1 ATOM 430 H H . GLN A 1 26 ? -13.143 -1.993 2.340 1.00 0.00 ? 26 GLN A H 1 ATOM 431 H HA . GLN A 1 26 ? -14.161 -4.662 2.055 1.00 0.00 ? 26 GLN A HA 1 ATOM 432 H HB2 . GLN A 1 26 ? -14.633 -2.515 4.110 1.00 0.00 ? 26 GLN A HB2 1 ATOM 433 H HB3 . GLN A 1 26 ? -14.967 -4.227 4.348 1.00 0.00 ? 26 GLN A HB3 1 ATOM 434 H HG2 . GLN A 1 26 ? -12.254 -3.038 3.721 1.00 0.00 ? 26 GLN A HG2 1 ATOM 435 H HG3 . GLN A 1 26 ? -12.776 -3.589 5.314 1.00 0.00 ? 26 GLN A HG3 1 ATOM 436 H HE21 . GLN A 1 26 ? -11.026 -4.590 2.654 1.00 0.00 ? 26 GLN A HE21 1 ATOM 437 H HE22 . GLN A 1 26 ? -11.214 -6.269 2.817 1.00 0.00 ? 26 GLN A HE22 1 ATOM 438 N N . ASN A 1 27 ? -16.328 -2.180 1.954 1.00 0.00 ? 27 ASN A N 1 ATOM 439 C CA . ASN A 1 27 ? -17.718 -1.840 1.538 1.00 0.00 ? 27 ASN A CA 1 ATOM 440 C C . ASN A 1 27 ? -17.958 -2.245 0.080 1.00 0.00 ? 27 ASN A C 1 ATOM 441 O O . ASN A 1 27 ? -18.997 -2.772 -0.264 1.00 0.00 ? 27 ASN A O 1 ATOM 442 C CB . ASN A 1 27 ? -17.823 -0.330 1.696 1.00 0.00 ? 27 ASN A CB 1 ATOM 443 C CG . ASN A 1 27 ? -19.227 0.131 1.301 1.00 0.00 ? 27 ASN A CG 1 ATOM 444 O OD1 . ASN A 1 27 ? -20.204 -0.291 1.887 1.00 0.00 ? 27 ASN A OD1 1 ATOM 445 N ND2 . ASN A 1 27 ? -19.370 0.985 0.326 1.00 0.00 ? 27 ASN A ND2 1 ATOM 446 H H . ASN A 1 27 ? -15.726 -1.476 2.276 1.00 0.00 ? 27 ASN A H 1 ATOM 447 H HA . ASN A 1 27 ? -18.427 -2.316 2.181 1.00 0.00 ? 27 ASN A HA 1 ATOM 448 H HB2 . ASN A 1 27 ? -17.627 -0.059 2.724 1.00 0.00 ? 27 ASN A HB2 1 ATOM 449 H HB3 . ASN A 1 27 ? -17.101 0.138 1.058 1.00 0.00 ? 27 ASN A HB3 1 ATOM 450 H HD21 . ASN A 1 27 ? -18.582 1.326 -0.147 1.00 0.00 ? 27 ASN A HD21 1 ATOM 451 H HD22 . ASN A 1 27 ? -20.265 1.287 0.066 1.00 0.00 ? 27 ASN A HD22 1 ATOM 452 N N . LEU A 1 28 ? -17.005 -2.004 -0.780 1.00 0.00 ? 28 LEU A N 1 ATOM 453 C CA . LEU A 1 28 ? -17.182 -2.378 -2.215 1.00 0.00 ? 28 LEU A CA 1 ATOM 454 C C . LEU A 1 28 ? -17.617 -3.840 -2.334 1.00 0.00 ? 28 LEU A C 1 ATOM 455 O O . LEU A 1 28 ? -18.238 -4.239 -3.299 1.00 0.00 ? 28 LEU A O 1 ATOM 456 C CB . LEU A 1 28 ? -15.814 -2.177 -2.849 1.00 0.00 ? 28 LEU A CB 1 ATOM 457 C CG . LEU A 1 28 ? -15.881 -2.536 -4.335 1.00 0.00 ? 28 LEU A CG 1 ATOM 458 C CD1 . LEU A 1 28 ? -16.887 -1.620 -5.037 1.00 0.00 ? 28 LEU A CD1 1 ATOM 459 C CD2 . LEU A 1 28 ? -14.500 -2.357 -4.967 1.00 0.00 ? 28 LEU A CD2 1 ATOM 460 H H . LEU A 1 28 ? -16.173 -1.578 -0.484 1.00 0.00 ? 28 LEU A H 1 ATOM 461 H HA . LEU A 1 28 ? -17.895 -1.734 -2.686 1.00 0.00 ? 28 LEU A HA 1 ATOM 462 H HB2 . LEU A 1 28 ? -15.513 -1.146 -2.738 1.00 0.00 ? 28 LEU A HB2 1 ATOM 463 H HB3 . LEU A 1 28 ? -15.106 -2.813 -2.360 1.00 0.00 ? 28 LEU A HB3 1 ATOM 464 H HG . LEU A 1 28 ? -16.196 -3.563 -4.442 1.00 0.00 ? 28 LEU A HG 1 ATOM 465 H HD11 . LEU A 1 28 ? -17.271 -0.899 -4.332 1.00 0.00 ? 28 LEU A HD11 1 ATOM 466 H HD12 . LEU A 1 28 ? -17.702 -2.213 -5.427 1.00 0.00 ? 28 LEU A HD12 1 ATOM 467 H HD13 . LEU A 1 28 ? -16.397 -1.104 -5.850 1.00 0.00 ? 28 LEU A HD13 1 ATOM 468 H HD21 . LEU A 1 28 ? -13.744 -2.390 -4.196 1.00 0.00 ? 28 LEU A HD21 1 ATOM 469 H HD22 . LEU A 1 28 ? -14.456 -1.404 -5.474 1.00 0.00 ? 28 LEU A HD22 1 ATOM 470 H HD23 . LEU A 1 28 ? -14.324 -3.151 -5.678 1.00 0.00 ? 28 LEU A HD23 1 ATOM 471 N N . GLN A 1 29 ? -17.294 -4.640 -1.357 1.00 0.00 ? 29 GLN A N 1 ATOM 472 C CA . GLN A 1 29 ? -17.687 -6.076 -1.407 1.00 0.00 ? 29 GLN A CA 1 ATOM 473 C C . GLN A 1 29 ? -19.198 -6.214 -1.620 1.00 0.00 ? 29 GLN A C 1 ATOM 474 O O . GLN A 1 29 ? -19.668 -7.177 -2.192 1.00 0.00 ? 29 GLN A O 1 ATOM 475 C CB . GLN A 1 29 ? -17.282 -6.643 -0.053 1.00 0.00 ? 29 GLN A CB 1 ATOM 476 C CG . GLN A 1 29 ? -15.760 -6.562 0.110 1.00 0.00 ? 29 GLN A CG 1 ATOM 477 C CD . GLN A 1 29 ? -15.329 -7.098 1.487 1.00 0.00 ? 29 GLN A CD 1 ATOM 478 O OE1 . GLN A 1 29 ? -14.152 -7.125 1.786 1.00 0.00 ? 29 GLN A OE1 1 ATOM 479 N NE2 . GLN A 1 29 ? -16.221 -7.523 2.348 1.00 0.00 ? 29 GLN A NE2 1 ATOM 480 H H . GLN A 1 29 ? -16.794 -4.294 -0.590 1.00 0.00 ? 29 GLN A H 1 ATOM 481 H HA . GLN A 1 29 ? -17.151 -6.583 -2.182 1.00 0.00 ? 29 GLN A HA 1 ATOM 482 H HB2 . GLN A 1 29 ? -17.756 -6.069 0.718 1.00 0.00 ? 29 GLN A HB2 1 ATOM 483 H HB3 . GLN A 1 29 ? -17.596 -7.673 0.017 1.00 0.00 ? 29 GLN A HB3 1 ATOM 484 H HG2 . GLN A 1 29 ? -15.288 -7.151 -0.663 1.00 0.00 ? 29 GLN A HG2 1 ATOM 485 H HG3 . GLN A 1 29 ? -15.444 -5.534 0.015 1.00 0.00 ? 29 GLN A HG3 1 ATOM 486 H HE21 . GLN A 1 29 ? -17.174 -7.506 2.126 1.00 0.00 ? 29 GLN A HE21 1 ATOM 487 H HE22 . GLN A 1 29 ? -15.932 -7.861 3.221 1.00 0.00 ? 29 GLN A HE22 1 ATOM 488 N N . ASN A 1 30 ? -19.964 -5.260 -1.163 1.00 0.00 ? 30 ASN A N 1 ATOM 489 C CA . ASN A 1 30 ? -21.443 -5.341 -1.339 1.00 0.00 ? 30 ASN A CA 1 ATOM 490 C C . ASN A 1 30 ? -21.806 -5.408 -2.825 1.00 0.00 ? 30 ASN A C 1 ATOM 491 O O . ASN A 1 30 ? -22.796 -6.000 -3.206 1.00 0.00 ? 30 ASN A O 1 ATOM 492 C CB . ASN A 1 30 ? -21.992 -4.066 -0.713 1.00 0.00 ? 30 ASN A CB 1 ATOM 493 C CG . ASN A 1 30 ? -21.688 -4.016 0.795 1.00 0.00 ? 30 ASN A CG 1 ATOM 494 O OD1 . ASN A 1 30 ? -22.025 -3.050 1.451 1.00 0.00 ? 30 ASN A OD1 1 ATOM 495 N ND2 . ASN A 1 30 ? -21.076 -5.012 1.388 1.00 0.00 ? 30 ASN A ND2 1 ATOM 496 H H . ASN A 1 30 ? -19.569 -4.492 -0.702 1.00 0.00 ? 30 ASN A H 1 ATOM 497 H HA . ASN A 1 30 ? -21.832 -6.191 -0.821 1.00 0.00 ? 30 ASN A HA 1 ATOM 498 H HB2 . ASN A 1 30 ? -21.536 -3.224 -1.194 1.00 0.00 ? 30 ASN A HB2 1 ATOM 499 H HB3 . ASN A 1 30 ? -23.061 -4.027 -0.861 1.00 0.00 ? 30 ASN A HB3 1 ATOM 500 H HD21 . ASN A 1 30 ? -20.805 -5.802 0.881 1.00 0.00 ? 30 ASN A HD21 1 ATOM 501 H HD22 . ASN A 1 30 ? -20.889 -4.964 2.349 1.00 0.00 ? 30 ASN A HD22 1 ATOM 502 N N . LEU A 1 31 ? -21.015 -4.805 -3.669 1.00 0.00 ? 31 LEU A N 1 ATOM 503 C CA . LEU A 1 31 ? -21.321 -4.837 -5.126 1.00 0.00 ? 31 LEU A CA 1 ATOM 504 C C . LEU A 1 31 ? -21.257 -6.275 -5.649 1.00 0.00 ? 31 LEU A C 1 ATOM 505 O O . LEU A 1 31 ? -21.926 -6.632 -6.599 1.00 0.00 ? 31 LEU A O 1 ATOM 506 C CB . LEU A 1 31 ? -20.242 -3.983 -5.776 1.00 0.00 ? 31 LEU A CB 1 ATOM 507 C CG . LEU A 1 31 ? -20.458 -3.948 -7.291 1.00 0.00 ? 31 LEU A CG 1 ATOM 508 C CD1 . LEU A 1 31 ? -21.828 -3.341 -7.599 1.00 0.00 ? 31 LEU A CD1 1 ATOM 509 C CD2 . LEU A 1 31 ? -19.365 -3.097 -7.942 1.00 0.00 ? 31 LEU A CD2 1 ATOM 510 H H . LEU A 1 31 ? -20.223 -4.331 -3.347 1.00 0.00 ? 31 LEU A H 1 ATOM 511 H HA . LEU A 1 31 ? -22.281 -4.409 -5.314 1.00 0.00 ? 31 LEU A HA 1 ATOM 512 H HB2 . LEU A 1 31 ? -20.290 -2.978 -5.380 1.00 0.00 ? 31 LEU A HB2 1 ATOM 513 H HB3 . LEU A 1 31 ? -19.284 -4.408 -5.561 1.00 0.00 ? 31 LEU A HB3 1 ATOM 514 H HG . LEU A 1 31 ? -20.414 -4.953 -7.684 1.00 0.00 ? 31 LEU A HG 1 ATOM 515 H HD11 . LEU A 1 31 ? -21.929 -2.398 -7.082 1.00 0.00 ? 31 LEU A HD11 1 ATOM 516 H HD12 . LEU A 1 31 ? -22.604 -4.017 -7.270 1.00 0.00 ? 31 LEU A HD12 1 ATOM 517 H HD13 . LEU A 1 31 ? -21.919 -3.179 -8.663 1.00 0.00 ? 31 LEU A HD13 1 ATOM 518 H HD21 . LEU A 1 31 ? -18.403 -3.377 -7.540 1.00 0.00 ? 31 LEU A HD21 1 ATOM 519 H HD22 . LEU A 1 31 ? -19.551 -2.054 -7.737 1.00 0.00 ? 31 LEU A HD22 1 ATOM 520 H HD23 . LEU A 1 31 ? -19.370 -3.261 -9.010 1.00 0.00 ? 31 LEU A HD23 1 ATOM 521 N N . PHE A 1 32 ? -20.450 -7.098 -5.039 1.00 0.00 ? 32 PHE A N 1 ATOM 522 C CA . PHE A 1 32 ? -20.328 -8.506 -5.496 1.00 0.00 ? 32 PHE A CA 1 ATOM 523 C C . PHE A 1 32 ? -21.567 -9.317 -5.102 1.00 0.00 ? 32 PHE A C 1 ATOM 524 O O . PHE A 1 32 ? -22.186 -9.962 -5.925 1.00 0.00 ? 32 PHE A O 1 ATOM 525 C CB . PHE A 1 32 ? -19.088 -9.042 -4.781 1.00 0.00 ? 32 PHE A CB 1 ATOM 526 C CG . PHE A 1 32 ? -18.871 -10.488 -5.156 1.00 0.00 ? 32 PHE A CG 1 ATOM 527 C CD1 . PHE A 1 32 ? -18.669 -10.843 -6.495 1.00 0.00 ? 32 PHE A CD1 1 ATOM 528 C CD2 . PHE A 1 32 ? -18.872 -11.474 -4.163 1.00 0.00 ? 32 PHE A CD2 1 ATOM 529 C CE1 . PHE A 1 32 ? -18.468 -12.185 -6.841 1.00 0.00 ? 32 PHE A CE1 1 ATOM 530 C CE2 . PHE A 1 32 ? -18.671 -12.815 -4.508 1.00 0.00 ? 32 PHE A CE2 1 ATOM 531 C CZ . PHE A 1 32 ? -18.469 -13.171 -5.847 1.00 0.00 ? 32 PHE A CZ 1 ATOM 532 H H . PHE A 1 32 ? -19.917 -6.789 -4.286 1.00 0.00 ? 32 PHE A H 1 ATOM 533 H HA . PHE A 1 32 ? -20.177 -8.536 -6.557 1.00 0.00 ? 32 PHE A HA 1 ATOM 534 H HB2 . PHE A 1 32 ? -18.225 -8.461 -5.072 1.00 0.00 ? 32 PHE A HB2 1 ATOM 535 H HB3 . PHE A 1 32 ? -19.228 -8.966 -3.712 1.00 0.00 ? 32 PHE A HB3 1 ATOM 536 H HD1 . PHE A 1 32 ? -18.668 -10.082 -7.261 1.00 0.00 ? 32 PHE A HD1 1 ATOM 537 H HD2 . PHE A 1 32 ? -19.028 -11.200 -3.130 1.00 0.00 ? 32 PHE A HD2 1 ATOM 538 H HE1 . PHE A 1 32 ? -18.312 -12.459 -7.873 1.00 0.00 ? 32 PHE A HE1 1 ATOM 539 H HE2 . PHE A 1 32 ? -18.672 -13.576 -3.742 1.00 0.00 ? 32 PHE A HE2 1 ATOM 540 H HZ . PHE A 1 32 ? -18.314 -14.205 -6.113 1.00 0.00 ? 32 PHE A HZ 1 ATOM 541 N N . ILE A 1 33 ? -21.928 -9.299 -3.847 1.00 0.00 ? 33 ILE A N 1 ATOM 542 C CA . ILE A 1 33 ? -23.118 -10.079 -3.398 1.00 0.00 ? 33 ILE A CA 1 ATOM 543 C C . ILE A 1 33 ? -24.385 -9.555 -4.089 1.00 0.00 ? 33 ILE A C 1 ATOM 544 O O . ILE A 1 33 ? -25.265 -10.315 -4.440 1.00 0.00 ? 33 ILE A O 1 ATOM 545 C CB . ILE A 1 33 ? -23.166 -9.868 -1.874 1.00 0.00 ? 33 ILE A CB 1 ATOM 546 C CG1 . ILE A 1 33 ? -24.249 -10.756 -1.227 1.00 0.00 ? 33 ILE A CG1 1 ATOM 547 C CG2 . ILE A 1 33 ? -23.456 -8.399 -1.564 1.00 0.00 ? 33 ILE A CG2 1 ATOM 548 C CD1 . ILE A 1 33 ? -25.657 -10.321 -1.656 1.00 0.00 ? 33 ILE A CD1 1 ATOM 549 H H . ILE A 1 33 ? -21.410 -8.779 -3.197 1.00 0.00 ? 33 ILE A H 1 ATOM 550 H HA . ILE A 1 33 ? -22.981 -11.126 -3.617 1.00 0.00 ? 33 ILE A HA 1 ATOM 551 H HB . ILE A 1 33 ? -22.202 -10.126 -1.458 1.00 0.00 ? 33 ILE A HB 1 ATOM 552 H HG12 . ILE A 1 33 ? -24.090 -11.781 -1.525 1.00 0.00 ? 33 ILE A HG12 1 ATOM 553 H HG13 . ILE A 1 33 ? -24.169 -10.684 -0.153 1.00 0.00 ? 33 ILE A HG13 1 ATOM 554 H HG21 . ILE A 1 33 ? -23.511 -8.261 -0.494 1.00 0.00 ? 33 ILE A HG21 1 ATOM 555 H HG22 . ILE A 1 33 ? -24.395 -8.114 -2.012 1.00 0.00 ? 33 ILE A HG22 1 ATOM 556 H HG23 . ILE A 1 33 ? -22.663 -7.784 -1.964 1.00 0.00 ? 33 ILE A HG23 1 ATOM 557 H HD11 . ILE A 1 33 ? -26.012 -10.976 -2.438 1.00 0.00 ? 33 ILE A HD11 1 ATOM 558 H HD12 . ILE A 1 33 ? -25.631 -9.307 -2.021 1.00 0.00 ? 33 ILE A HD12 1 ATOM 559 H HD13 . ILE A 1 33 ? -26.324 -10.381 -0.809 1.00 0.00 ? 33 ILE A HD13 1 ATOM 560 N N . ASN A 1 34 ? -24.491 -8.269 -4.285 1.00 0.00 ? 34 ASN A N 1 ATOM 561 C CA . ASN A 1 34 ? -25.706 -7.718 -4.947 1.00 0.00 ? 34 ASN A CA 1 ATOM 562 C C . ASN A 1 34 ? -25.806 -8.243 -6.381 1.00 0.00 ? 34 ASN A C 1 ATOM 563 O O . ASN A 1 34 ? -26.806 -8.810 -6.774 1.00 0.00 ? 34 ASN A O 1 ATOM 564 C CB . ASN A 1 34 ? -25.509 -6.199 -4.939 1.00 0.00 ? 34 ASN A CB 1 ATOM 565 C CG . ASN A 1 34 ? -26.735 -5.482 -5.532 1.00 0.00 ? 34 ASN A CG 1 ATOM 566 O OD1 . ASN A 1 34 ? -26.723 -4.275 -5.672 1.00 0.00 ? 34 ASN A OD1 1 ATOM 567 N ND2 . ASN A 1 34 ? -27.806 -6.156 -5.870 1.00 0.00 ? 34 ASN A ND2 1 ATOM 568 H H . ASN A 1 34 ? -23.777 -7.667 -3.996 1.00 0.00 ? 34 ASN A H 1 ATOM 569 H HA . ASN A 1 34 ? -26.589 -7.979 -4.389 1.00 0.00 ? 34 ASN A HA 1 ATOM 570 H HB2 . ASN A 1 34 ? -25.361 -5.866 -3.922 1.00 0.00 ? 34 ASN A HB2 1 ATOM 571 H HB3 . ASN A 1 34 ? -24.637 -5.951 -5.524 1.00 0.00 ? 34 ASN A HB3 1 ATOM 572 H HD21 . ASN A 1 34 ? -27.844 -7.125 -5.748 1.00 0.00 ? 34 ASN A HD21 1 ATOM 573 H HD22 . ASN A 1 34 ? -28.576 -5.685 -6.251 1.00 0.00 ? 34 ASN A HD22 1 ATOM 574 N N . PHE A 1 35 ? -24.779 -8.062 -7.163 1.00 0.00 ? 35 PHE A N 1 ATOM 575 C CA . PHE A 1 35 ? -24.821 -8.553 -8.569 1.00 0.00 ? 35 PHE A CA 1 ATOM 576 C C . PHE A 1 35 ? -25.042 -10.067 -8.592 1.00 0.00 ? 35 PHE A C 1 ATOM 577 O O . PHE A 1 35 ? -25.860 -10.574 -9.334 1.00 0.00 ? 35 PHE A O 1 ATOM 578 C CB . PHE A 1 35 ? -23.454 -8.198 -9.154 1.00 0.00 ? 35 PHE A CB 1 ATOM 579 C CG . PHE A 1 35 ? -23.382 -8.669 -10.587 1.00 0.00 ? 35 PHE A CG 1 ATOM 580 C CD1 . PHE A 1 35 ? -24.297 -8.185 -11.529 1.00 0.00 ? 35 PHE A CD1 1 ATOM 581 C CD2 . PHE A 1 35 ? -22.399 -9.589 -10.973 1.00 0.00 ? 35 PHE A CD2 1 ATOM 582 C CE1 . PHE A 1 35 ? -24.231 -8.621 -12.857 1.00 0.00 ? 35 PHE A CE1 1 ATOM 583 C CE2 . PHE A 1 35 ? -22.332 -10.025 -12.302 1.00 0.00 ? 35 PHE A CE2 1 ATOM 584 C CZ . PHE A 1 35 ? -23.248 -9.541 -13.244 1.00 0.00 ? 35 PHE A CZ 1 ATOM 585 H H . PHE A 1 35 ? -23.982 -7.603 -6.826 1.00 0.00 ? 35 PHE A H 1 ATOM 586 H HA . PHE A 1 35 ? -25.601 -8.049 -9.117 1.00 0.00 ? 35 PHE A HA 1 ATOM 587 H HB2 . PHE A 1 35 ? -23.314 -7.127 -9.119 1.00 0.00 ? 35 PHE A HB2 1 ATOM 588 H HB3 . PHE A 1 35 ? -22.679 -8.681 -8.578 1.00 0.00 ? 35 PHE A HB3 1 ATOM 589 H HD1 . PHE A 1 35 ? -25.055 -7.476 -11.230 1.00 0.00 ? 35 PHE A HD1 1 ATOM 590 H HD2 . PHE A 1 35 ? -21.693 -9.962 -10.246 1.00 0.00 ? 35 PHE A HD2 1 ATOM 591 H HE1 . PHE A 1 35 ? -24.937 -8.248 -13.584 1.00 0.00 ? 35 PHE A HE1 1 ATOM 592 H HE2 . PHE A 1 35 ? -21.574 -10.735 -12.600 1.00 0.00 ? 35 PHE A HE2 1 ATOM 593 H HZ . PHE A 1 35 ? -23.197 -9.878 -14.269 1.00 0.00 ? 35 PHE A HZ 1 ATOM 594 N N . CYS A 1 36 ? -24.324 -10.795 -7.783 1.00 0.00 ? 36 CYS A N 1 ATOM 595 C CA . CYS A 1 36 ? -24.505 -12.273 -7.759 1.00 0.00 ? 36 CYS A CA 1 ATOM 596 C C . CYS A 1 36 ? -25.955 -12.606 -7.402 1.00 0.00 ? 36 CYS A C 1 ATOM 597 O O . CYS A 1 36 ? -26.553 -13.508 -7.955 1.00 0.00 ? 36 CYS A O 1 ATOM 598 C CB . CYS A 1 36 ? -23.552 -12.773 -6.674 1.00 0.00 ? 36 CYS A CB 1 ATOM 599 S SG . CYS A 1 36 ? -23.695 -14.572 -6.524 1.00 0.00 ? 36 CYS A SG 1 ATOM 600 H H . CYS A 1 36 ? -23.671 -10.372 -7.189 1.00 0.00 ? 36 CYS A H 1 ATOM 601 H HA . CYS A 1 36 ? -24.240 -12.700 -8.712 1.00 0.00 ? 36 CYS A HA 1 ATOM 602 H HB2 . CYS A 1 36 ? -22.538 -12.515 -6.939 1.00 0.00 ? 36 CYS A HB2 1 ATOM 603 H HB3 . CYS A 1 36 ? -23.805 -12.312 -5.731 1.00 0.00 ? 36 CYS A HB3 1 ATOM 604 H HG . CYS A 1 36 ? -24.586 -14.774 -6.231 1.00 0.00 ? 36 CYS A HG 1 ATOM 605 N N . LEU A 1 37 ? -26.525 -11.874 -6.484 1.00 0.00 ? 37 LEU A N 1 ATOM 606 C CA . LEU A 1 37 ? -27.936 -12.130 -6.087 1.00 0.00 ? 37 LEU A CA 1 ATOM 607 C C . LEU A 1 37 ? -28.849 -11.875 -7.289 1.00 0.00 ? 37 LEU A C 1 ATOM 608 O O . LEU A 1 37 ? -29.621 -12.724 -7.689 1.00 0.00 ? 37 LEU A O 1 ATOM 609 C CB . LEU A 1 37 ? -28.200 -11.121 -4.956 1.00 0.00 ? 37 LEU A CB 1 ATOM 610 C CG . LEU A 1 37 ? -29.556 -11.380 -4.276 1.00 0.00 ? 37 LEU A CG 1 ATOM 611 C CD1 . LEU A 1 37 ? -30.707 -11.140 -5.256 1.00 0.00 ? 37 LEU A CD1 1 ATOM 612 C CD2 . LEU A 1 37 ? -29.611 -12.819 -3.761 1.00 0.00 ? 37 LEU A CD2 1 ATOM 613 H H . LEU A 1 37 ? -26.025 -11.151 -6.056 1.00 0.00 ? 37 LEU A H 1 ATOM 614 H HA . LEU A 1 37 ? -28.050 -13.137 -5.725 1.00 0.00 ? 37 LEU A HA 1 ATOM 615 H HB2 . LEU A 1 37 ? -27.415 -11.204 -4.219 1.00 0.00 ? 37 LEU A HB2 1 ATOM 616 H HB3 . LEU A 1 37 ? -28.195 -10.122 -5.366 1.00 0.00 ? 37 LEU A HB3 1 ATOM 617 H HG . LEU A 1 37 ? -29.663 -10.705 -3.440 1.00 0.00 ? 37 LEU A HG 1 ATOM 618 H HD11 . LEU A 1 37 ? -30.405 -10.413 -5.995 1.00 0.00 ? 37 LEU A HD11 1 ATOM 619 H HD12 . LEU A 1 37 ? -31.568 -10.771 -4.719 1.00 0.00 ? 37 LEU A HD12 1 ATOM 620 H HD13 . LEU A 1 37 ? -30.960 -12.068 -5.748 1.00 0.00 ? 37 LEU A HD13 1 ATOM 621 H HD21 . LEU A 1 37 ? -29.861 -12.814 -2.710 1.00 0.00 ? 37 LEU A HD21 1 ATOM 622 H HD22 . LEU A 1 37 ? -28.649 -13.289 -3.899 1.00 0.00 ? 37 LEU A HD22 1 ATOM 623 H HD23 . LEU A 1 37 ? -30.364 -13.366 -4.307 1.00 0.00 ? 37 LEU A HD23 1 ATOM 624 N N . ILE A 1 38 ? -28.768 -10.706 -7.862 1.00 0.00 ? 38 ILE A N 1 ATOM 625 C CA . ILE A 1 38 ? -29.634 -10.385 -9.035 1.00 0.00 ? 38 ILE A CA 1 ATOM 626 C C . ILE A 1 38 ? -29.233 -11.228 -10.251 1.00 0.00 ? 38 ILE A C 1 ATOM 627 O O . ILE A 1 38 ? -30.012 -11.438 -11.159 1.00 0.00 ? 38 ILE A O 1 ATOM 628 C CB . ILE A 1 38 ? -29.383 -8.901 -9.317 1.00 0.00 ? 38 ILE A CB 1 ATOM 629 C CG1 . ILE A 1 38 ? -30.285 -8.443 -10.465 1.00 0.00 ? 38 ILE A CG1 1 ATOM 630 C CG2 . ILE A 1 38 ? -27.919 -8.689 -9.711 1.00 0.00 ? 38 ILE A CG2 1 ATOM 631 C CD1 . ILE A 1 38 ? -31.751 -8.635 -10.073 1.00 0.00 ? 38 ILE A CD1 1 ATOM 632 H H . ILE A 1 38 ? -28.141 -10.034 -7.516 1.00 0.00 ? 38 ILE A H 1 ATOM 633 H HA . ILE A 1 38 ? -30.673 -10.542 -8.792 1.00 0.00 ? 38 ILE A HA 1 ATOM 634 H HB . ILE A 1 38 ? -29.598 -8.324 -8.431 1.00 0.00 ? 38 ILE A HB 1 ATOM 635 H HG12 . ILE A 1 38 ? -30.101 -7.398 -10.673 1.00 0.00 ? 38 ILE A HG12 1 ATOM 636 H HG13 . ILE A 1 38 ? -30.071 -9.028 -11.346 1.00 0.00 ? 38 ILE A HG13 1 ATOM 637 H HG21 . ILE A 1 38 ? -27.691 -9.283 -10.583 1.00 0.00 ? 38 ILE A HG21 1 ATOM 638 H HG22 . ILE A 1 38 ? -27.280 -8.987 -8.895 1.00 0.00 ? 38 ILE A HG22 1 ATOM 639 H HG23 . ILE A 1 38 ? -27.754 -7.645 -9.934 1.00 0.00 ? 38 ILE A HG23 1 ATOM 640 H HD11 . ILE A 1 38 ? -31.811 -8.933 -9.037 1.00 0.00 ? 38 ILE A HD11 1 ATOM 641 H HD12 . ILE A 1 38 ? -32.192 -9.401 -10.694 1.00 0.00 ? 38 ILE A HD12 1 ATOM 642 H HD13 . ILE A 1 38 ? -32.286 -7.707 -10.212 1.00 0.00 ? 38 ILE A HD13 1 ATOM 643 N N . LEU A 1 39 ? -28.016 -11.692 -10.283 1.00 0.00 ? 39 LEU A N 1 ATOM 644 C CA . LEU A 1 39 ? -27.544 -12.494 -11.434 1.00 0.00 ? 39 LEU A CA 1 ATOM 645 C C . LEU A 1 39 ? -28.022 -13.951 -11.341 1.00 0.00 ? 39 LEU A C 1 ATOM 646 O O . LEU A 1 39 ? -28.249 -14.599 -12.344 1.00 0.00 ? 39 LEU A O 1 ATOM 647 C CB . LEU A 1 39 ? -26.020 -12.409 -11.331 1.00 0.00 ? 39 LEU A CB 1 ATOM 648 C CG . LEU A 1 39 ? -25.384 -13.343 -12.349 1.00 0.00 ? 39 LEU A CG 1 ATOM 649 C CD1 . LEU A 1 39 ? -25.796 -12.927 -13.762 1.00 0.00 ? 39 LEU A CD1 1 ATOM 650 C CD2 . LEU A 1 39 ? -23.861 -13.285 -12.216 1.00 0.00 ? 39 LEU A CD2 1 ATOM 651 H H . LEU A 1 39 ? -27.401 -11.501 -9.554 1.00 0.00 ? 39 LEU A H 1 ATOM 652 H HA . LEU A 1 39 ? -27.869 -12.047 -12.353 1.00 0.00 ? 39 LEU A HA 1 ATOM 653 H HB2 . LEU A 1 39 ? -25.704 -11.394 -11.527 1.00 0.00 ? 39 LEU A HB2 1 ATOM 654 H HB3 . LEU A 1 39 ? -25.711 -12.697 -10.338 1.00 0.00 ? 39 LEU A HB3 1 ATOM 655 H HG . LEU A 1 39 ? -25.726 -14.344 -12.153 1.00 0.00 ? 39 LEU A HG 1 ATOM 656 H HD11 . LEU A 1 39 ? -26.269 -11.957 -13.729 1.00 0.00 ? 39 LEU A HD11 1 ATOM 657 H HD12 . LEU A 1 39 ? -26.488 -13.653 -14.163 1.00 0.00 ? 39 LEU A HD12 1 ATOM 658 H HD13 . LEU A 1 39 ? -24.920 -12.879 -14.392 1.00 0.00 ? 39 LEU A HD13 1 ATOM 659 H HD21 . LEU A 1 39 ? -23.426 -14.159 -12.679 1.00 0.00 ? 39 LEU A HD21 1 ATOM 660 H HD22 . LEU A 1 39 ? -23.592 -13.260 -11.170 1.00 0.00 ? 39 LEU A HD22 1 ATOM 661 H HD23 . LEU A 1 39 ? -23.490 -12.397 -12.705 1.00 0.00 ? 39 LEU A HD23 1 ATOM 662 N N . ILE A 1 40 ? -28.153 -14.480 -10.157 1.00 0.00 ? 40 ILE A N 1 ATOM 663 C CA . ILE A 1 40 ? -28.587 -15.898 -10.025 1.00 0.00 ? 40 ILE A CA 1 ATOM 664 C C . ILE A 1 40 ? -30.093 -16.009 -9.780 1.00 0.00 ? 40 ILE A C 1 ATOM 665 O O . ILE A 1 40 ? -30.712 -16.996 -10.124 1.00 0.00 ? 40 ILE A O 1 ATOM 666 C CB . ILE A 1 40 ? -27.817 -16.435 -8.828 1.00 0.00 ? 40 ILE A CB 1 ATOM 667 C CG1 . ILE A 1 40 ? -26.314 -16.314 -9.089 1.00 0.00 ? 40 ILE A CG1 1 ATOM 668 C CG2 . ILE A 1 40 ? -28.179 -17.904 -8.601 1.00 0.00 ? 40 ILE A CG2 1 ATOM 669 C CD1 . ILE A 1 40 ? -25.543 -16.854 -7.883 1.00 0.00 ? 40 ILE A CD1 1 ATOM 670 H H . ILE A 1 40 ? -27.949 -13.958 -9.361 1.00 0.00 ? 40 ILE A H 1 ATOM 671 H HA . ILE A 1 40 ? -28.314 -16.443 -10.896 1.00 0.00 ? 40 ILE A HA 1 ATOM 672 H HB . ILE A 1 40 ? -28.079 -15.863 -7.960 1.00 0.00 ? 40 ILE A HB 1 ATOM 673 H HG12 . ILE A 1 40 ? -26.055 -16.884 -9.969 1.00 0.00 ? 40 ILE A HG12 1 ATOM 674 H HG13 . ILE A 1 40 ? -26.058 -15.277 -9.243 1.00 0.00 ? 40 ILE A HG13 1 ATOM 675 H HG21 . ILE A 1 40 ? -28.789 -18.255 -9.421 1.00 0.00 ? 40 ILE A HG21 1 ATOM 676 H HG22 . ILE A 1 40 ? -28.729 -18.001 -7.676 1.00 0.00 ? 40 ILE A HG22 1 ATOM 677 H HG23 . ILE A 1 40 ? -27.276 -18.494 -8.547 1.00 0.00 ? 40 ILE A HG23 1 ATOM 678 H HD11 . ILE A 1 40 ? -25.840 -16.316 -6.995 1.00 0.00 ? 40 ILE A HD11 1 ATOM 679 H HD12 . ILE A 1 40 ? -24.483 -16.724 -8.046 1.00 0.00 ? 40 ILE A HD12 1 ATOM 680 H HD13 . ILE A 1 40 ? -25.761 -17.904 -7.758 1.00 0.00 ? 40 ILE A HD13 1 ATOM 681 N N . PHE A 1 41 ? -30.689 -15.018 -9.181 1.00 0.00 ? 41 PHE A N 1 ATOM 682 C CA . PHE A 1 41 ? -32.147 -15.091 -8.912 1.00 0.00 ? 41 PHE A CA 1 ATOM 683 C C . PHE A 1 41 ? -32.952 -14.684 -10.148 1.00 0.00 ? 41 PHE A C 1 ATOM 684 O O . PHE A 1 41 ? -34.087 -15.086 -10.313 1.00 0.00 ? 41 PHE A O 1 ATOM 685 C CB . PHE A 1 41 ? -32.394 -14.132 -7.746 1.00 0.00 ? 41 PHE A CB 1 ATOM 686 C CG . PHE A 1 41 ? -31.873 -14.746 -6.462 1.00 0.00 ? 41 PHE A CG 1 ATOM 687 C CD1 . PHE A 1 41 ? -30.510 -15.049 -6.314 1.00 0.00 ? 41 PHE A CD1 1 ATOM 688 C CD2 . PHE A 1 41 ? -32.764 -15.020 -5.418 1.00 0.00 ? 41 PHE A CD2 1 ATOM 689 C CE1 . PHE A 1 41 ? -30.047 -15.624 -5.124 1.00 0.00 ? 41 PHE A CE1 1 ATOM 690 C CE2 . PHE A 1 41 ? -32.298 -15.593 -4.228 1.00 0.00 ? 41 PHE A CE2 1 ATOM 691 C CZ . PHE A 1 41 ? -30.940 -15.895 -4.082 1.00 0.00 ? 41 PHE A CZ 1 ATOM 692 H H . PHE A 1 41 ? -30.180 -14.235 -8.903 1.00 0.00 ? 41 PHE A H 1 ATOM 693 H HA . PHE A 1 41 ? -32.409 -16.090 -8.616 1.00 0.00 ? 41 PHE A HA 1 ATOM 694 H HB2 . PHE A 1 41 ? -31.882 -13.199 -7.933 1.00 0.00 ? 41 PHE A HB2 1 ATOM 695 H HB3 . PHE A 1 41 ? -33.454 -13.948 -7.650 1.00 0.00 ? 41 PHE A HB3 1 ATOM 696 H HD1 . PHE A 1 41 ? -29.817 -14.839 -7.112 1.00 0.00 ? 41 PHE A HD1 1 ATOM 697 H HD2 . PHE A 1 41 ? -33.813 -14.788 -5.530 1.00 0.00 ? 41 PHE A HD2 1 ATOM 698 H HE1 . PHE A 1 41 ? -28.998 -15.858 -5.010 1.00 0.00 ? 41 PHE A HE1 1 ATOM 699 H HE2 . PHE A 1 41 ? -32.988 -15.802 -3.424 1.00 0.00 ? 41 PHE A HE2 1 ATOM 700 H HZ . PHE A 1 41 ? -30.582 -16.338 -3.164 1.00 0.00 ? 41 PHE A HZ 1 ATOM 701 N N . LEU A 1 42 ? -32.383 -13.902 -11.026 1.00 0.00 ? 42 LEU A N 1 ATOM 702 C CA . LEU A 1 42 ? -33.143 -13.501 -12.243 1.00 0.00 ? 42 LEU A CA 1 ATOM 703 C C . LEU A 1 42 ? -33.535 -14.745 -13.044 1.00 0.00 ? 42 LEU A C 1 ATOM 704 O O . LEU A 1 42 ? -34.452 -14.719 -13.840 1.00 0.00 ? 42 LEU A O 1 ATOM 705 C CB . LEU A 1 42 ? -32.207 -12.572 -13.041 1.00 0.00 ? 42 LEU A CB 1 ATOM 706 C CG . LEU A 1 42 ? -30.876 -13.264 -13.389 1.00 0.00 ? 42 LEU A CG 1 ATOM 707 C CD1 . LEU A 1 42 ? -31.089 -14.322 -14.476 1.00 0.00 ? 42 LEU A CD1 1 ATOM 708 C CD2 . LEU A 1 42 ? -29.899 -12.216 -13.928 1.00 0.00 ? 42 LEU A CD2 1 ATOM 709 H H . LEU A 1 42 ? -31.469 -13.586 -10.887 1.00 0.00 ? 42 LEU A H 1 ATOM 710 H HA . LEU A 1 42 ? -34.029 -12.959 -11.954 1.00 0.00 ? 42 LEU A HA 1 ATOM 711 H HB2 . LEU A 1 42 ? -32.699 -12.279 -13.956 1.00 0.00 ? 42 LEU A HB2 1 ATOM 712 H HB3 . LEU A 1 42 ? -32.003 -11.689 -12.453 1.00 0.00 ? 42 LEU A HB3 1 ATOM 713 H HG . LEU A 1 42 ? -30.461 -13.728 -12.507 1.00 0.00 ? 42 LEU A HG 1 ATOM 714 H HD11 . LEU A 1 42 ? -30.348 -14.195 -15.252 1.00 0.00 ? 42 LEU A HD11 1 ATOM 715 H HD12 . LEU A 1 42 ? -32.075 -14.209 -14.901 1.00 0.00 ? 42 LEU A HD12 1 ATOM 716 H HD13 . LEU A 1 42 ? -30.991 -15.306 -14.044 1.00 0.00 ? 42 LEU A HD13 1 ATOM 717 H HD21 . LEU A 1 42 ? -28.893 -12.604 -13.878 1.00 0.00 ? 42 LEU A HD21 1 ATOM 718 H HD22 . LEU A 1 42 ? -29.969 -11.317 -13.334 1.00 0.00 ? 42 LEU A HD22 1 ATOM 719 H HD23 . LEU A 1 42 ? -30.145 -11.988 -14.954 1.00 0.00 ? 42 LEU A HD23 1 ATOM 720 N N . LEU A 1 43 ? -32.845 -15.835 -12.839 1.00 0.00 ? 43 LEU A N 1 ATOM 721 C CA . LEU A 1 43 ? -33.174 -17.078 -13.584 1.00 0.00 ? 43 LEU A CA 1 ATOM 722 C C . LEU A 1 43 ? -34.229 -17.893 -12.827 1.00 0.00 ? 43 LEU A C 1 ATOM 723 O O . LEU A 1 43 ? -35.102 -18.496 -13.418 1.00 0.00 ? 43 LEU A O 1 ATOM 724 C CB . LEU A 1 43 ? -31.856 -17.850 -13.663 1.00 0.00 ? 43 LEU A CB 1 ATOM 725 C CG . LEU A 1 43 ? -32.080 -19.171 -14.401 1.00 0.00 ? 43 LEU A CG 1 ATOM 726 C CD1 . LEU A 1 43 ? -32.567 -18.885 -15.823 1.00 0.00 ? 43 LEU A CD1 1 ATOM 727 C CD2 . LEU A 1 43 ? -30.765 -19.951 -14.459 1.00 0.00 ? 43 LEU A CD2 1 ATOM 728 H H . LEU A 1 43 ? -32.108 -15.836 -12.198 1.00 0.00 ? 43 LEU A H 1 ATOM 729 H HA . LEU A 1 43 ? -33.516 -16.837 -14.571 1.00 0.00 ? 43 LEU A HA 1 ATOM 730 H HB2 . LEU A 1 43 ? -31.124 -17.259 -14.194 1.00 0.00 ? 43 LEU A HB2 1 ATOM 731 H HB3 . LEU A 1 43 ? -31.498 -18.055 -12.665 1.00 0.00 ? 43 LEU A HB3 1 ATOM 732 H HG . LEU A 1 43 ? -32.822 -19.756 -13.877 1.00 0.00 ? 43 LEU A HG 1 ATOM 733 H HD11 . LEU A 1 43 ? -32.160 -19.623 -16.499 1.00 0.00 ? 43 LEU A HD11 1 ATOM 734 H HD12 . LEU A 1 43 ? -32.239 -17.901 -16.125 1.00 0.00 ? 43 LEU A HD12 1 ATOM 735 H HD13 . LEU A 1 43 ? -33.646 -18.929 -15.850 1.00 0.00 ? 43 LEU A HD13 1 ATOM 736 H HD21 . LEU A 1 43 ? -30.948 -20.935 -14.864 1.00 0.00 ? 43 LEU A HD21 1 ATOM 737 H HD22 . LEU A 1 43 ? -30.356 -20.041 -13.464 1.00 0.00 ? 43 LEU A HD22 1 ATOM 738 H HD23 . LEU A 1 43 ? -30.064 -19.427 -15.091 1.00 0.00 ? 43 LEU A HD23 1 ATOM 739 N N . LEU A 1 44 ? -34.147 -17.922 -11.525 1.00 0.00 ? 44 LEU A N 1 ATOM 740 C CA . LEU A 1 44 ? -35.136 -18.704 -10.729 1.00 0.00 ? 44 LEU A CA 1 ATOM 741 C C . LEU A 1 44 ? -36.543 -18.113 -10.873 1.00 0.00 ? 44 LEU A C 1 ATOM 742 O O . LEU A 1 44 ? -37.508 -18.826 -11.061 1.00 0.00 ? 44 LEU A O 1 ATOM 743 C CB . LEU A 1 44 ? -34.655 -18.589 -9.281 1.00 0.00 ? 44 LEU A CB 1 ATOM 744 C CG . LEU A 1 44 ? -33.252 -19.186 -9.157 1.00 0.00 ? 44 LEU A CG 1 ATOM 745 C CD1 . LEU A 1 44 ? -32.775 -19.068 -7.708 1.00 0.00 ? 44 LEU A CD1 1 ATOM 746 C CD2 . LEU A 1 44 ? -33.286 -20.662 -9.564 1.00 0.00 ? 44 LEU A CD2 1 ATOM 747 H H . LEU A 1 44 ? -33.431 -17.436 -11.069 1.00 0.00 ? 44 LEU A H 1 ATOM 748 H HA . LEU A 1 44 ? -35.129 -19.736 -11.035 1.00 0.00 ? 44 LEU A HA 1 ATOM 749 H HB2 . LEU A 1 44 ? -34.631 -17.548 -8.993 1.00 0.00 ? 44 LEU A HB2 1 ATOM 750 H HB3 . LEU A 1 44 ? -35.332 -19.126 -8.633 1.00 0.00 ? 44 LEU A HB3 1 ATOM 751 H HG . LEU A 1 44 ? -32.574 -18.650 -9.804 1.00 0.00 ? 44 LEU A HG 1 ATOM 752 H HD11 . LEU A 1 44 ? -33.630 -19.050 -7.047 1.00 0.00 ? 44 LEU A HD11 1 ATOM 753 H HD12 . LEU A 1 44 ? -32.209 -18.156 -7.588 1.00 0.00 ? 44 LEU A HD12 1 ATOM 754 H HD13 . LEU A 1 44 ? -32.150 -19.914 -7.464 1.00 0.00 ? 44 LEU A HD13 1 ATOM 755 H HD21 . LEU A 1 44 ? -33.327 -20.737 -10.641 1.00 0.00 ? 44 LEU A HD21 1 ATOM 756 H HD22 . LEU A 1 44 ? -34.157 -21.134 -9.136 1.00 0.00 ? 44 LEU A HD22 1 ATOM 757 H HD23 . LEU A 1 44 ? -32.395 -21.155 -9.203 1.00 0.00 ? 44 LEU A HD23 1 ATOM 758 N N . ILE A 1 45 ? -36.670 -16.817 -10.774 1.00 0.00 ? 45 ILE A N 1 ATOM 759 C CA . ILE A 1 45 ? -38.017 -16.187 -10.894 1.00 0.00 ? 45 ILE A CA 1 ATOM 760 C C . ILE A 1 45 ? -38.693 -16.594 -12.208 1.00 0.00 ? 45 ILE A C 1 ATOM 761 O O . ILE A 1 45 ? -39.897 -16.508 -12.348 1.00 0.00 ? 45 ILE A O 1 ATOM 762 C CB . ILE A 1 45 ? -37.754 -14.682 -10.875 1.00 0.00 ? 45 ILE A CB 1 ATOM 763 C CG1 . ILE A 1 45 ? -36.843 -14.308 -12.047 1.00 0.00 ? 45 ILE A CG1 1 ATOM 764 C CG2 . ILE A 1 45 ? -37.072 -14.300 -9.560 1.00 0.00 ? 45 ILE A CG2 1 ATOM 765 C CD1 . ILE A 1 45 ? -36.590 -12.800 -12.037 1.00 0.00 ? 45 ILE A CD1 1 ATOM 766 H H . ILE A 1 45 ? -35.880 -16.258 -10.613 1.00 0.00 ? 45 ILE A H 1 ATOM 767 H HA . ILE A 1 45 ? -38.635 -16.460 -10.053 1.00 0.00 ? 45 ILE A HA 1 ATOM 768 H HB . ILE A 1 45 ? -38.691 -14.151 -10.961 1.00 0.00 ? 45 ILE A HB 1 ATOM 769 H HG12 . ILE A 1 45 ? -35.903 -14.832 -11.954 1.00 0.00 ? 45 ILE A HG12 1 ATOM 770 H HG13 . ILE A 1 45 ? -37.320 -14.585 -12.976 1.00 0.00 ? 45 ILE A HG13 1 ATOM 771 H HG21 . ILE A 1 45 ? -37.654 -13.540 -9.060 1.00 0.00 ? 45 ILE A HG21 1 ATOM 772 H HG22 . ILE A 1 45 ? -36.082 -13.920 -9.765 1.00 0.00 ? 45 ILE A HG22 1 ATOM 773 H HG23 . ILE A 1 45 ? -36.999 -15.172 -8.926 1.00 0.00 ? 45 ILE A HG23 1 ATOM 774 H HD11 . ILE A 1 45 ? -37.504 -12.283 -11.782 1.00 0.00 ? 45 ILE A HD11 1 ATOM 775 H HD12 . ILE A 1 45 ? -36.259 -12.483 -13.015 1.00 0.00 ? 45 ILE A HD12 1 ATOM 776 H HD13 . ILE A 1 45 ? -35.829 -12.567 -11.306 1.00 0.00 ? 45 ILE A HD13 1 ATOM 777 N N . CYS A 1 46 ? -37.931 -17.028 -13.172 1.00 0.00 ? 46 CYS A N 1 ATOM 778 C CA . CYS A 1 46 ? -38.529 -17.429 -14.474 1.00 0.00 ? 46 CYS A CA 1 ATOM 779 C C . CYS A 1 46 ? -39.072 -18.859 -14.407 1.00 0.00 ? 46 CYS A C 1 ATOM 780 O O . CYS A 1 46 ? -39.974 -19.227 -15.132 1.00 0.00 ? 46 CYS A O 1 ATOM 781 C CB . CYS A 1 46 ? -37.384 -17.340 -15.471 1.00 0.00 ? 46 CYS A CB 1 ATOM 782 S SG . CYS A 1 46 ? -37.975 -17.796 -17.119 1.00 0.00 ? 46 CYS A SG 1 ATOM 783 H H . CYS A 1 46 ? -36.965 -17.083 -13.045 1.00 0.00 ? 46 CYS A H 1 ATOM 784 H HA . CYS A 1 46 ? -39.298 -16.746 -14.753 1.00 0.00 ? 46 CYS A HA 1 ATOM 785 H HB2 . CYS A 1 46 ? -36.999 -16.331 -15.491 1.00 0.00 ? 46 CYS A HB2 1 ATOM 786 H HB3 . CYS A 1 46 ? -36.607 -18.013 -15.169 1.00 0.00 ? 46 CYS A HB3 1 ATOM 787 H HG . CYS A 1 46 ? -37.215 -18.059 -17.644 1.00 0.00 ? 46 CYS A HG 1 ATOM 788 N N . ILE A 1 47 ? -38.523 -19.670 -13.550 1.00 0.00 ? 47 ILE A N 1 ATOM 789 C CA . ILE A 1 47 ? -38.991 -21.077 -13.440 1.00 0.00 ? 47 ILE A CA 1 ATOM 790 C C . ILE A 1 47 ? -40.462 -21.142 -13.012 1.00 0.00 ? 47 ILE A C 1 ATOM 791 O O . ILE A 1 47 ? -41.222 -21.953 -13.502 1.00 0.00 ? 47 ILE A O 1 ATOM 792 C CB . ILE A 1 47 ? -38.096 -21.690 -12.367 1.00 0.00 ? 47 ILE A CB 1 ATOM 793 C CG1 . ILE A 1 47 ? -36.638 -21.652 -12.833 1.00 0.00 ? 47 ILE A CG1 1 ATOM 794 C CG2 . ILE A 1 47 ? -38.514 -23.136 -12.122 1.00 0.00 ? 47 ILE A CG2 1 ATOM 795 C CD1 . ILE A 1 47 ? -36.498 -22.437 -14.138 1.00 0.00 ? 47 ILE A CD1 1 ATOM 796 H H . ILE A 1 47 ? -37.794 -19.359 -12.980 1.00 0.00 ? 47 ILE A H 1 ATOM 797 H HA . ILE A 1 47 ? -38.847 -21.594 -14.373 1.00 0.00 ? 47 ILE A HA 1 ATOM 798 H HB . ILE A 1 47 ? -38.197 -21.127 -11.450 1.00 0.00 ? 47 ILE A HB 1 ATOM 799 H HG12 . ILE A 1 47 ? -36.338 -20.627 -12.994 1.00 0.00 ? 47 ILE A HG12 1 ATOM 800 H HG13 . ILE A 1 47 ? -36.007 -22.097 -12.078 1.00 0.00 ? 47 ILE A HG13 1 ATOM 801 H HG21 . ILE A 1 47 ? -38.567 -23.657 -13.065 1.00 0.00 ? 47 ILE A HG21 1 ATOM 802 H HG22 . ILE A 1 47 ? -39.482 -23.152 -11.646 1.00 0.00 ? 47 ILE A HG22 1 ATOM 803 H HG23 . ILE A 1 47 ? -37.789 -23.616 -11.483 1.00 0.00 ? 47 ILE A HG23 1 ATOM 804 H HD11 . ILE A 1 47 ? -36.990 -23.393 -14.037 1.00 0.00 ? 47 ILE A HD11 1 ATOM 805 H HD12 . ILE A 1 47 ? -35.451 -22.592 -14.354 1.00 0.00 ? 47 ILE A HD12 1 ATOM 806 H HD13 . ILE A 1 47 ? -36.953 -21.880 -14.943 1.00 0.00 ? 47 ILE A HD13 1 ATOM 807 N N . ILE A 1 48 ? -40.865 -20.311 -12.092 1.00 0.00 ? 48 ILE A N 1 ATOM 808 C CA . ILE A 1 48 ? -42.280 -20.348 -11.625 1.00 0.00 ? 48 ILE A CA 1 ATOM 809 C C . ILE A 1 48 ? -43.206 -19.636 -12.617 1.00 0.00 ? 48 ILE A C 1 ATOM 810 O O . ILE A 1 48 ? -44.339 -20.029 -12.810 1.00 0.00 ? 48 ILE A O 1 ATOM 811 C CB . ILE A 1 48 ? -42.281 -19.624 -10.275 1.00 0.00 ? 48 ILE A CB 1 ATOM 812 C CG1 . ILE A 1 48 ? -41.903 -18.153 -10.472 1.00 0.00 ? 48 ILE A CG1 1 ATOM 813 C CG2 . ILE A 1 48 ? -41.265 -20.285 -9.342 1.00 0.00 ? 48 ILE A CG2 1 ATOM 814 C CD1 . ILE A 1 48 ? -41.919 -17.437 -9.120 1.00 0.00 ? 48 ILE A CD1 1 ATOM 815 H H . ILE A 1 48 ? -40.239 -19.679 -11.700 1.00 0.00 ? 48 ILE A H 1 ATOM 816 H HA . ILE A 1 48 ? -42.592 -21.366 -11.488 1.00 0.00 ? 48 ILE A HA 1 ATOM 817 H HB . ILE A 1 48 ? -43.266 -19.689 -9.835 1.00 0.00 ? 48 ILE A HB 1 ATOM 818 H HG12 . ILE A 1 48 ? -40.916 -18.087 -10.903 1.00 0.00 ? 48 ILE A HG12 1 ATOM 819 H HG13 . ILE A 1 48 ? -42.617 -17.685 -11.133 1.00 0.00 ? 48 ILE A HG13 1 ATOM 820 H HG21 . ILE A 1 48 ? -41.168 -19.697 -8.441 1.00 0.00 ? 48 ILE A HG21 1 ATOM 821 H HG22 . ILE A 1 48 ? -40.307 -20.345 -9.837 1.00 0.00 ? 48 ILE A HG22 1 ATOM 822 H HG23 . ILE A 1 48 ? -41.602 -21.279 -9.089 1.00 0.00 ? 48 ILE A HG23 1 ATOM 823 H HD11 . ILE A 1 48 ? -42.526 -17.996 -8.424 1.00 0.00 ? 48 ILE A HD11 1 ATOM 824 H HD12 . ILE A 1 48 ? -42.331 -16.447 -9.243 1.00 0.00 ? 48 ILE A HD12 1 ATOM 825 H HD13 . ILE A 1 48 ? -40.911 -17.363 -8.740 1.00 0.00 ? 48 ILE A HD13 1 ATOM 826 N N . VAL A 1 49 ? -42.740 -18.589 -13.240 1.00 0.00 ? 49 VAL A N 1 ATOM 827 C CA . VAL A 1 49 ? -43.605 -17.854 -14.208 1.00 0.00 ? 49 VAL A CA 1 ATOM 828 C C . VAL A 1 49 ? -43.789 -18.665 -15.495 1.00 0.00 ? 49 VAL A C 1 ATOM 829 O O . VAL A 1 49 ? -44.812 -18.585 -16.147 1.00 0.00 ? 49 VAL A O 1 ATOM 830 C CB . VAL A 1 49 ? -42.859 -16.551 -14.498 1.00 0.00 ? 49 VAL A CB 1 ATOM 831 C CG1 . VAL A 1 49 ? -43.667 -15.714 -15.493 1.00 0.00 ? 49 VAL A CG1 1 ATOM 832 C CG2 . VAL A 1 49 ? -42.681 -15.766 -13.197 1.00 0.00 ? 49 VAL A CG2 1 ATOM 833 H H . VAL A 1 49 ? -41.825 -18.282 -13.068 1.00 0.00 ? 49 VAL A H 1 ATOM 834 H HA . VAL A 1 49 ? -44.562 -17.635 -13.763 1.00 0.00 ? 49 VAL A HA 1 ATOM 835 H HB . VAL A 1 49 ? -41.891 -16.776 -14.920 1.00 0.00 ? 49 VAL A HB 1 ATOM 836 H HG11 . VAL A 1 49 ? -43.268 -14.710 -15.526 1.00 0.00 ? 49 VAL A HG11 1 ATOM 837 H HG12 . VAL A 1 49 ? -44.700 -15.681 -15.180 1.00 0.00 ? 49 VAL A HG12 1 ATOM 838 H HG13 . VAL A 1 49 ? -43.602 -16.159 -16.475 1.00 0.00 ? 49 VAL A HG13 1 ATOM 839 H HG21 . VAL A 1 49 ? -42.168 -14.838 -13.404 1.00 0.00 ? 49 VAL A HG21 1 ATOM 840 H HG22 . VAL A 1 49 ? -42.100 -16.352 -12.500 1.00 0.00 ? 49 VAL A HG22 1 ATOM 841 H HG23 . VAL A 1 49 ? -43.650 -15.554 -12.769 1.00 0.00 ? 49 VAL A HG23 1 ATOM 842 N N . MET A 1 50 ? -42.809 -19.439 -15.870 1.00 0.00 ? 50 MET A N 1 ATOM 843 C CA . MET A 1 50 ? -42.934 -20.243 -17.116 1.00 0.00 ? 50 MET A CA 1 ATOM 844 C C . MET A 1 50 ? -43.689 -21.554 -16.858 1.00 0.00 ? 50 MET A C 1 ATOM 845 O O . MET A 1 50 ? -43.923 -22.329 -17.763 1.00 0.00 ? 50 MET A O 1 ATOM 846 C CB . MET A 1 50 ? -41.503 -20.524 -17.552 1.00 0.00 ? 50 MET A CB 1 ATOM 847 C CG . MET A 1 50 ? -40.795 -19.206 -17.880 1.00 0.00 ? 50 MET A CG 1 ATOM 848 S SD . MET A 1 50 ? -41.633 -18.392 -19.262 1.00 0.00 ? 50 MET A SD 1 ATOM 849 C CE . MET A 1 50 ? -40.552 -16.944 -19.362 1.00 0.00 ? 50 MET A CE 1 ATOM 850 H H . MET A 1 50 ? -41.991 -19.488 -15.338 1.00 0.00 ? 50 MET A H 1 ATOM 851 H HA . MET A 1 50 ? -43.428 -19.672 -17.868 1.00 0.00 ? 50 MET A HA 1 ATOM 852 H HB2 . MET A 1 50 ? -40.988 -21.020 -16.754 1.00 0.00 ? 50 MET A HB2 1 ATOM 853 H HB3 . MET A 1 50 ? -41.509 -21.155 -18.428 1.00 0.00 ? 50 MET A HB3 1 ATOM 854 H HG2 . MET A 1 50 ? -40.819 -18.560 -17.016 1.00 0.00 ? 50 MET A HG2 1 ATOM 855 H HG3 . MET A 1 50 ? -39.768 -19.407 -18.150 1.00 0.00 ? 50 MET A HG3 1 ATOM 856 H HE1 . MET A 1 50 ? -40.424 -16.523 -18.374 1.00 0.00 ? 50 MET A HE1 1 ATOM 857 H HE2 . MET A 1 50 ? -40.995 -16.206 -20.011 1.00 0.00 ? 50 MET A HE2 1 ATOM 858 H HE3 . MET A 1 50 ? -39.591 -17.241 -19.760 1.00 0.00 ? 50 MET A HE3 1 ATOM 859 N N . LEU A 1 51 ? -44.074 -21.811 -15.636 1.00 0.00 ? 51 LEU A N 1 ATOM 860 C CA . LEU A 1 51 ? -44.813 -23.074 -15.343 1.00 0.00 ? 51 LEU A CA 1 ATOM 861 C C . LEU A 1 51 ? -46.196 -22.760 -14.767 1.00 0.00 ? 51 LEU A C 1 ATOM 862 O O . LEU A 1 51 ? -47.170 -23.418 -15.073 1.00 0.00 ? 51 LEU A O 1 ATOM 863 C CB . LEU A 1 51 ? -43.955 -23.808 -14.311 1.00 0.00 ? 51 LEU A CB 1 ATOM 864 C CG . LEU A 1 51 ? -42.596 -24.143 -14.925 1.00 0.00 ? 51 LEU A CG 1 ATOM 865 C CD1 . LEU A 1 51 ? -41.740 -24.883 -13.896 1.00 0.00 ? 51 LEU A CD1 1 ATOM 866 C CD2 . LEU A 1 51 ? -42.798 -25.032 -16.153 1.00 0.00 ? 51 LEU A CD2 1 ATOM 867 H H . LEU A 1 51 ? -43.882 -21.178 -14.914 1.00 0.00 ? 51 LEU A H 1 ATOM 868 H HA . LEU A 1 51 ? -44.905 -23.671 -16.236 1.00 0.00 ? 51 LEU A HA 1 ATOM 869 H HB2 . LEU A 1 51 ? -43.815 -23.177 -13.445 1.00 0.00 ? 51 LEU A HB2 1 ATOM 870 H HB3 . LEU A 1 51 ? -44.450 -24.722 -14.016 1.00 0.00 ? 51 LEU A HB3 1 ATOM 871 H HG . LEU A 1 51 ? -42.099 -23.230 -15.219 1.00 0.00 ? 51 LEU A HG 1 ATOM 872 H HD11 . LEU A 1 51 ? -42.069 -25.909 -13.825 1.00 0.00 ? 51 LEU A HD11 1 ATOM 873 H HD12 . LEU A 1 51 ? -41.842 -24.405 -12.932 1.00 0.00 ? 51 LEU A HD12 1 ATOM 874 H HD13 . LEU A 1 51 ? -40.705 -24.857 -14.203 1.00 0.00 ? 51 LEU A HD13 1 ATOM 875 H HD21 . LEU A 1 51 ? -43.721 -25.583 -16.050 1.00 0.00 ? 51 LEU A HD21 1 ATOM 876 H HD22 . LEU A 1 51 ? -41.973 -25.724 -16.236 1.00 0.00 ? 51 LEU A HD22 1 ATOM 877 H HD23 . LEU A 1 51 ? -42.844 -24.417 -17.040 1.00 0.00 ? 51 LEU A HD23 1 ATOM 878 N N . LEU A 1 52 ? -46.290 -21.760 -13.934 1.00 0.00 ? 52 LEU A N 1 ATOM 879 C CA . LEU A 1 52 ? -47.611 -21.407 -13.340 1.00 0.00 ? 52 LEU A CA 1 ATOM 880 C C . LEU A 1 52 ? -47.940 -19.937 -13.617 1.00 0.00 ? 52 LEU A C 1 ATOM 881 O O . LEU A 1 52 ? -48.688 -19.361 -12.844 1.00 0.00 ? 52 LEU A O 1 ATOM 882 C CB . LEU A 1 52 ? -47.445 -21.647 -11.839 1.00 0.00 ? 52 LEU A CB 1 ATOM 883 C CG . LEU A 1 52 ? -47.079 -23.112 -11.595 1.00 0.00 ? 52 LEU A CG 1 ATOM 884 C CD1 . LEU A 1 52 ? -46.924 -23.357 -10.092 1.00 0.00 ? 52 LEU A CD1 1 ATOM 885 C CD2 . LEU A 1 52 ? -48.187 -24.013 -12.145 1.00 0.00 ? 52 LEU A CD2 1 ATOM 886 O OXT . LEU A 1 52 ? -47.437 -19.412 -14.597 1.00 0.00 ? 52 LEU A OXT 1 ATOM 887 H H . LEU A 1 52 ? -45.493 -21.241 -13.699 1.00 0.00 ? 52 LEU A H 1 ATOM 888 H HA . LEU A 1 52 ? -48.385 -22.047 -13.732 1.00 0.00 ? 52 LEU A HA 1 ATOM 889 H HB2 . LEU A 1 52 ? -46.660 -21.009 -11.458 1.00 0.00 ? 52 LEU A HB2 1 ATOM 890 H HB3 . LEU A 1 52 ? -48.372 -21.420 -11.333 1.00 0.00 ? 52 LEU A HB3 1 ATOM 891 H HG . LEU A 1 52 ? -46.149 -23.339 -12.095 1.00 0.00 ? 52 LEU A HG 1 ATOM 892 H HD11 . LEU A 1 52 ? -46.755 -22.417 -9.589 1.00 0.00 ? 52 LEU A HD11 1 ATOM 893 H HD12 . LEU A 1 52 ? -46.084 -24.015 -9.919 1.00 0.00 ? 52 LEU A HD12 1 ATOM 894 H HD13 . LEU A 1 52 ? -47.824 -23.815 -9.707 1.00 0.00 ? 52 LEU A HD13 1 ATOM 895 H HD21 . LEU A 1 52 ? -49.148 -23.556 -11.962 1.00 0.00 ? 52 LEU A HD21 1 ATOM 896 H HD22 . LEU A 1 52 ? -48.147 -24.974 -11.653 1.00 0.00 ? 52 LEU A HD22 1 ATOM 897 H HD23 . LEU A 1 52 ? -48.049 -24.147 -13.208 1.00 0.00 ? 52 LEU A HD23 1 # If you find results from this site helpful for your research, please cite one of our papers:
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