data_2NC4 # _entry.id 2NC4 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_code _database_2.database_id RCSB104681 RCSB 2NC4 PDB 26006 BMRB D_1000104681 WWPDB # loop_ _pdbx_database_related.db_id _pdbx_database_related.db_name _pdbx_database_related.content_type _pdbx_database_related.details 26006 BMRB unspecified . 2NC3 PDB unspecified . 2NC5 PDB unspecified . 2NC6 PDB unspecified . # _pdbx_database_status.deposit_site BMRB _pdbx_database_status.entry_id 2NC4 _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2016-03-20 _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code REL _pdbx_database_status.status_code_mr REL _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_cs REL _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Hsu, C.' 1 'Park, S.' 2 'Mortenson, D.E.' 3 'Foley, B.' 4 'Wang, X.' 5 'Woods, R.J.' 6 'Case, D.A.' 7 'Powers, E.T.' 8 'Wong, C.' 9 'Dyson, H.' 10 'Kelly, J.W.' 11 # _citation.id primary _citation.title 'The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate.' _citation.journal_abbrev J.Am.Chem.Soc. _citation.journal_volume 138 _citation.page_first 7636 _citation.page_last 7648 _citation.year 2016 _citation.journal_id_ASTM JACSAT _citation.country US _citation.journal_id_ISSN 0002-7863 _citation.journal_id_CSD 0004 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 27249581 _citation.pdbx_database_id_DOI 10.1021/jacs.6b02879 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Hsu, C.H.' 1 primary 'Park, S.' 2 primary 'Mortenson, D.E.' 3 primary 'Foley, B.L.' 4 primary 'Wang, X.' 5 primary 'Woods, R.J.' 6 primary 'Case, D.A.' 7 primary 'Powers, E.T.' 8 primary 'Wong, C.H.' 9 primary 'Dyson, H.J.' 10 primary 'Kelly, J.W.' 11 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer syn 'Pin1 WW Domain' 3849.313 1 ? ? ? ? 2 non-polymer man BETA-D-GALACTOSE 180.156 1 ? ? ? ? # _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 KLPPGWEKRMFANGTVYYFNHITNASQFERPSG _entity_poly.pdbx_seq_one_letter_code_can KLPPGWEKRMFANGTVYYFNHITNASQFERPSG _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 LYS n 1 2 LEU n 1 3 PRO n 1 4 PRO n 1 5 GLY n 1 6 TRP n 1 7 GLU n 1 8 LYS n 1 9 ARG n 1 10 MET n 1 11 PHE n 1 12 ALA n 1 13 ASN n 1 14 GLY n 1 15 THR n 1 16 VAL n 1 17 TYR n 1 18 TYR n 1 19 PHE n 1 20 ASN n 1 21 HIS n 1 22 ILE n 1 23 THR n 1 24 ASN n 1 25 ALA n 1 26 SER n 1 27 GLN n 1 28 PHE n 1 29 GLU n 1 30 ARG n 1 31 PRO n 1 32 SER n 1 33 GLY n # _pdbx_entity_src_syn.entity_id 1 _pdbx_entity_src_syn.pdbx_src_id 1 _pdbx_entity_src_syn.pdbx_alt_source_flag sample _pdbx_entity_src_syn.pdbx_beg_seq_num ? _pdbx_entity_src_syn.pdbx_end_seq_num ? _pdbx_entity_src_syn.organism_scientific 'homo sapiens' _pdbx_entity_src_syn.organism_common_name human _pdbx_entity_src_syn.ncbi_taxonomy_id 9606 _pdbx_entity_src_syn.details ? # _struct_ref.id 1 _struct_ref.db_name PDB _struct_ref.db_code 2NC4 _struct_ref.pdbx_db_accession 2NC4 _struct_ref.entity_id 1 _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2NC4 _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 33 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession 2NC4 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 33 _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 33 # 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 GAL D-saccharide . BETA-D-GALACTOSE ? 'C6 H12 O6' 180.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 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 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # loop_ _pdbx_nmr_exptl.conditions_id _pdbx_nmr_exptl.experiment_id _pdbx_nmr_exptl.solution_id _pdbx_nmr_exptl.type 1 1 1 '2D 1H-1H TOCSY' 1 2 1 '2D DQF-COSY' 1 3 1 '2D 1H-1H NOESY' # _pdbx_nmr_exptl_sample_conditions.conditions_id 1 _pdbx_nmr_exptl_sample_conditions.ionic_strength 50 _pdbx_nmr_exptl_sample_conditions.pH 6.5 _pdbx_nmr_exptl_sample_conditions.pressure ambient _pdbx_nmr_exptl_sample_conditions.pressure_units ? _pdbx_nmr_exptl_sample_conditions.temperature 285 _pdbx_nmr_exptl_sample_conditions.temperature_units K # _pdbx_nmr_sample_details.contents '1.5 uM Pin WW Domain Peptide, 90% H2O/10% D2O' _pdbx_nmr_sample_details.solution_id 1 _pdbx_nmr_sample_details.solvent_system '90% H2O/10% D2O' # _pdbx_nmr_spectrometer.field_strength 600 _pdbx_nmr_spectrometer.manufacturer Bruker _pdbx_nmr_spectrometer.model DRX _pdbx_nmr_spectrometer.spectrometer_id 1 _pdbx_nmr_spectrometer.type 'Bruker DRX' # _pdbx_nmr_refine.entry_id 2NC4 _pdbx_nmr_refine.method 'simulated annealing' _pdbx_nmr_refine.details ? _pdbx_nmr_refine.software_ordinal 1 # _pdbx_nmr_ensemble.average_constraint_violations_per_residue ? _pdbx_nmr_ensemble.average_constraints_per_residue ? _pdbx_nmr_ensemble.average_distance_constraint_violation ? _pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ? _pdbx_nmr_ensemble.conformer_selection_criteria 'structures with the lowest energy' _pdbx_nmr_ensemble.conformers_calculated_total_number 100 _pdbx_nmr_ensemble.conformers_submitted_total_number 20 _pdbx_nmr_ensemble.distance_constraint_violation_method ? _pdbx_nmr_ensemble.entry_id 2NC4 _pdbx_nmr_ensemble.maximum_distance_constraint_violation ? _pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ? _pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ? _pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation 0.14 _pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ? # _pdbx_nmr_representative.conformer_id 1 _pdbx_nmr_representative.entry_id 2NC4 _pdbx_nmr_representative.selection_criteria 'lowest energy' # loop_ _pdbx_nmr_software.authors _pdbx_nmr_software.classification _pdbx_nmr_software.name _pdbx_nmr_software.version _pdbx_nmr_software.ordinal 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' 'structure solution' AMBER ? 1 ? refinement AMBER ? 2 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.crystals_number ? _exptl.details ? _exptl.entry_id 2NC4 _exptl.method 'SOLUTION NMR' _exptl.method_details ? # _struct.entry_id 2NC4 _struct.title 'Solution Structure of N-Galactosylated Pin1 WW Domain' _struct.pdbx_descriptor 'Pin1 WW Domain' _struct.pdbx_model_details 'lowest energy, model20' _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2NC4 _struct_keywords.pdbx_keywords ISOMERASE _struct_keywords.text 'enhanced aromatic sequon, ISOMERASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? # _struct_biol.id 1 _struct_biol.details ? # _struct_conn.id covale1 _struct_conn.conn_type_id covale _struct_conn.pdbx_leaving_atom_flag ? _struct_conn.pdbx_PDB_id ? _struct_conn.ptnr1_label_asym_id A _struct_conn.ptnr1_label_comp_id ASN _struct_conn.ptnr1_label_seq_id 13 _struct_conn.ptnr1_label_atom_id ND2 _struct_conn.pdbx_ptnr1_label_alt_id ? _struct_conn.pdbx_ptnr1_PDB_ins_code ? _struct_conn.pdbx_ptnr1_standard_comp_id ? _struct_conn.ptnr1_symmetry 1_555 _struct_conn.ptnr2_label_asym_id B _struct_conn.ptnr2_label_comp_id GAL _struct_conn.ptnr2_label_seq_id . _struct_conn.ptnr2_label_atom_id C1 _struct_conn.pdbx_ptnr2_label_alt_id ? _struct_conn.pdbx_ptnr2_PDB_ins_code ? _struct_conn.ptnr1_auth_asym_id A _struct_conn.ptnr1_auth_comp_id ASN _struct_conn.ptnr1_auth_seq_id 13 _struct_conn.ptnr2_auth_asym_id A _struct_conn.ptnr2_auth_comp_id GAL _struct_conn.ptnr2_auth_seq_id 101 _struct_conn.ptnr2_symmetry 1_555 _struct_conn.pdbx_ptnr3_label_atom_id ? _struct_conn.pdbx_ptnr3_label_seq_id ? _struct_conn.pdbx_ptnr3_label_comp_id ? _struct_conn.pdbx_ptnr3_label_asym_id ? _struct_conn.pdbx_ptnr3_label_alt_id ? _struct_conn.pdbx_ptnr3_PDB_ins_code ? _struct_conn.details ? _struct_conn.pdbx_dist_value 1.451 _struct_conn.pdbx_value_order ? # _struct_conn_type.id covale _struct_conn_type.criteria ? _struct_conn_type.reference ? # _struct_sheet.id A _struct_sheet.type ? _struct_sheet.number_strands 3 _struct_sheet.details ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 TRP A 6 ? MET A 10 ? TRP A 6 MET A 10 A 2 VAL A 16 ? ASN A 20 ? VAL A 16 ASN A 20 A 3 SER A 26 ? GLN A 27 ? SER A 26 GLN A 27 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N GLU A 7 ? N GLU A 7 O PHE A 19 ? O PHE A 19 A 2 3 N TYR A 18 ? N TYR A 18 O GLN A 27 ? O GLN A 27 # _struct_site.id AC1 _struct_site.pdbx_evidence_code Software _struct_site.pdbx_auth_asym_id ? _struct_site.pdbx_auth_comp_id ? _struct_site.pdbx_auth_seq_id ? _struct_site.pdbx_auth_ins_code ? _struct_site.pdbx_num_residues 3 _struct_site.details 'BINDING SITE FOR RESIDUE GAL A 101' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 3 PHE A 11 ? PHE A 11 . ? 1_555 ? 2 AC1 3 ASN A 13 ? ASN A 13 . ? 1_555 ? 3 AC1 3 THR A 15 ? THR A 15 . ? 1_555 ? # _atom_sites.entry_id 2NC4 _atom_sites.fract_transf_matrix[1][1] 1.000000 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 1.000000 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 1.000000 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C H N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . LYS A 1 1 ? -11.245 -5.011 3.948 1.00 0.00 ? 1 LYS A N 1 ATOM 2 C CA . LYS A 1 1 ? -10.058 -4.143 4.174 1.00 0.00 ? 1 LYS A CA 1 ATOM 3 C C . LYS A 1 1 ? -9.562 -3.529 2.857 1.00 0.00 ? 1 LYS A C 1 ATOM 4 O O . LYS A 1 1 ? -9.774 -2.336 2.619 1.00 0.00 ? 1 LYS A O 1 ATOM 5 C CB . LYS A 1 1 ? -8.946 -4.884 4.957 1.00 0.00 ? 1 LYS A CB 1 ATOM 6 C CG . LYS A 1 1 ? -7.815 -3.945 5.420 1.00 0.00 ? 1 LYS A CG 1 ATOM 7 C CD . LYS A 1 1 ? -6.625 -4.695 6.045 1.00 0.00 ? 1 LYS A CD 1 ATOM 8 C CE . LYS A 1 1 ? -5.785 -5.420 4.983 1.00 0.00 ? 1 LYS A CE 1 ATOM 9 N NZ . LYS A 1 1 ? -4.606 -6.097 5.578 1.00 0.00 ? 1 LYS A NZ 1 ATOM 10 H H1 . LYS A 1 1 ? -11.981 -4.494 3.487 1.00 0.00 ? 1 LYS A H1 1 ATOM 11 H H2 . LYS A 1 1 ? -11.606 -5.345 4.830 1.00 0.00 ? 1 LYS A H2 1 ATOM 12 H H3 . LYS A 1 1 ? -11.011 -5.813 3.380 1.00 0.00 ? 1 LYS A H3 1 ATOM 13 H HA . LYS A 1 1 ? -10.379 -3.303 4.790 1.00 0.00 ? 1 LYS A HA 1 ATOM 14 H HB2 . LYS A 1 1 ? -9.384 -5.344 5.845 1.00 0.00 ? 1 LYS A HB2 1 ATOM 15 H HB3 . LYS A 1 1 ? -8.534 -5.682 4.338 1.00 0.00 ? 1 LYS A HB3 1 ATOM 16 H HG2 . LYS A 1 1 ? -7.449 -3.347 4.586 1.00 0.00 ? 1 LYS A HG2 1 ATOM 17 H HG3 . LYS A 1 1 ? -8.222 -3.261 6.166 1.00 0.00 ? 1 LYS A HG3 1 ATOM 18 H HD2 . LYS A 1 1 ? -5.991 -3.965 6.553 1.00 0.00 ? 1 LYS A HD2 1 ATOM 19 H HD3 . LYS A 1 1 ? -6.990 -5.408 6.786 1.00 0.00 ? 1 LYS A HD3 1 ATOM 20 H HE2 . LYS A 1 1 ? -6.407 -6.155 4.466 1.00 0.00 ? 1 LYS A HE2 1 ATOM 21 H HE3 . LYS A 1 1 ? -5.447 -4.684 4.249 1.00 0.00 ? 1 LYS A HE3 1 ATOM 22 H HZ1 . LYS A 1 1 ? -4.030 -5.449 6.098 1.00 0.00 ? 1 LYS A HZ1 1 ATOM 23 H HZ2 . LYS A 1 1 ? -4.881 -6.844 6.200 1.00 0.00 ? 1 LYS A HZ2 1 ATOM 24 H HZ3 . LYS A 1 1 ? -4.016 -6.504 4.850 1.00 0.00 ? 1 LYS A HZ3 1 ATOM 25 N N . LEU A 1 2 ? -8.921 -4.327 1.993 1.00 0.00 ? 2 LEU A N 1 ATOM 26 C CA . LEU A 1 2 ? -8.374 -3.935 0.682 1.00 0.00 ? 2 LEU A CA 1 ATOM 27 C C . LEU A 1 2 ? -9.156 -4.594 -0.485 1.00 0.00 ? 2 LEU A C 1 ATOM 28 O O . LEU A 1 2 ? -9.888 -5.563 -0.246 1.00 0.00 ? 2 LEU A O 1 ATOM 29 C CB . LEU A 1 2 ? -6.875 -4.300 0.655 1.00 0.00 ? 2 LEU A CB 1 ATOM 30 C CG . LEU A 1 2 ? -5.988 -3.400 1.535 1.00 0.00 ? 2 LEU A CG 1 ATOM 31 C CD1 . LEU A 1 2 ? -4.613 -4.037 1.723 1.00 0.00 ? 2 LEU A CD1 1 ATOM 32 C CD2 . LEU A 1 2 ? -5.770 -2.025 0.904 1.00 0.00 ? 2 LEU A CD2 1 ATOM 33 H H . LEU A 1 2 ? -8.814 -5.300 2.243 1.00 0.00 ? 2 LEU A H 1 ATOM 34 H HA . LEU A 1 2 ? -8.470 -2.860 0.564 1.00 0.00 ? 2 LEU A HA 1 ATOM 35 H HB2 . LEU A 1 2 ? -6.770 -5.339 0.980 1.00 0.00 ? 2 LEU A HB2 1 ATOM 36 H HB3 . LEU A 1 2 ? -6.506 -4.226 -0.366 1.00 0.00 ? 2 LEU A HB3 1 ATOM 37 H HG . LEU A 1 2 ? -6.444 -3.275 2.514 1.00 0.00 ? 2 LEU A HG 1 ATOM 38 H HD11 . LEU A 1 2 ? -4.117 -4.149 0.759 1.00 0.00 ? 2 LEU A HD11 1 ATOM 39 H HD12 . LEU A 1 2 ? -4.002 -3.412 2.375 1.00 0.00 ? 2 LEU A HD12 1 ATOM 40 H HD13 . LEU A 1 2 ? -4.727 -5.017 2.184 1.00 0.00 ? 2 LEU A HD13 1 ATOM 41 H HD21 . LEU A 1 2 ? -5.245 -2.140 -0.043 1.00 0.00 ? 2 LEU A HD21 1 ATOM 42 H HD22 . LEU A 1 2 ? -6.722 -1.528 0.733 1.00 0.00 ? 2 LEU A HD22 1 ATOM 43 H HD23 . LEU A 1 2 ? -5.174 -1.406 1.572 1.00 0.00 ? 2 LEU A HD23 1 ATOM 44 N N . PRO A 1 3 ? -9.030 -4.102 -1.739 1.00 0.00 ? 3 PRO A N 1 ATOM 45 C CA . PRO A 1 3 ? -9.700 -4.688 -2.909 1.00 0.00 ? 3 PRO A CA 1 ATOM 46 C C . PRO A 1 3 ? -9.142 -6.082 -3.286 1.00 0.00 ? 3 PRO A C 1 ATOM 47 O O . PRO A 1 3 ? -8.112 -6.498 -2.743 1.00 0.00 ? 3 PRO A O 1 ATOM 48 C CB . PRO A 1 3 ? -9.529 -3.674 -4.055 1.00 0.00 ? 3 PRO A CB 1 ATOM 49 C CG . PRO A 1 3 ? -8.977 -2.414 -3.396 1.00 0.00 ? 3 PRO A CG 1 ATOM 50 C CD . PRO A 1 3 ? -8.273 -2.930 -2.150 1.00 0.00 ? 3 PRO A CD 1 ATOM 51 H HA . PRO A 1 3 ? -10.761 -4.782 -2.682 1.00 0.00 ? 3 PRO A HA 1 ATOM 52 H HB2 . PRO A 1 3 ? -8.814 -4.039 -4.790 1.00 0.00 ? 3 PRO A HB2 1 ATOM 53 H HB3 . PRO A 1 3 ? -10.485 -3.466 -4.540 1.00 0.00 ? 3 PRO A HB3 1 ATOM 54 H HG2 . PRO A 1 3 ? -8.279 -1.899 -4.055 1.00 0.00 ? 3 PRO A HG2 1 ATOM 55 H HG3 . PRO A 1 3 ? -9.800 -1.760 -3.105 1.00 0.00 ? 3 PRO A HG3 1 ATOM 56 H HD2 . PRO A 1 3 ? -7.258 -3.230 -2.409 1.00 0.00 ? 3 PRO A HD2 1 ATOM 57 H HD3 . PRO A 1 3 ? -8.255 -2.150 -1.391 1.00 0.00 ? 3 PRO A HD3 1 ATOM 58 N N . PRO A 1 4 ? -9.770 -6.813 -4.230 1.00 0.00 ? 4 PRO A N 1 ATOM 59 C CA . PRO A 1 4 ? -9.376 -8.177 -4.596 1.00 0.00 ? 4 PRO A CA 1 ATOM 60 C C . PRO A 1 4 ? -7.888 -8.330 -4.959 1.00 0.00 ? 4 PRO A C 1 ATOM 61 O O . PRO A 1 4 ? -7.367 -7.657 -5.852 1.00 0.00 ? 4 PRO A O 1 ATOM 62 C CB . PRO A 1 4 ? -10.298 -8.578 -5.754 1.00 0.00 ? 4 PRO A CB 1 ATOM 63 C CG . PRO A 1 4 ? -11.562 -7.768 -5.472 1.00 0.00 ? 4 PRO A CG 1 ATOM 64 C CD . PRO A 1 4 ? -11.003 -6.457 -4.922 1.00 0.00 ? 4 PRO A CD 1 ATOM 65 H HA . PRO A 1 4 ? -9.601 -8.824 -3.747 1.00 0.00 ? 4 PRO A HA 1 ATOM 66 H HB2 . PRO A 1 4 ? -9.873 -8.261 -6.709 1.00 0.00 ? 4 PRO A HB2 1 ATOM 67 H HB3 . PRO A 1 4 ? -10.498 -9.650 -5.759 1.00 0.00 ? 4 PRO A HB3 1 ATOM 68 H HG2 . PRO A 1 4 ? -12.153 -7.609 -6.375 1.00 0.00 ? 4 PRO A HG2 1 ATOM 69 H HG3 . PRO A 1 4 ? -12.155 -8.266 -4.703 1.00 0.00 ? 4 PRO A HG3 1 ATOM 70 H HD2 . PRO A 1 4 ? -10.772 -5.783 -5.749 1.00 0.00 ? 4 PRO A HD2 1 ATOM 71 H HD3 . PRO A 1 4 ? -11.731 -6.000 -4.251 1.00 0.00 ? 4 PRO A HD3 1 ATOM 72 N N . GLY A 1 5 ? -7.203 -9.233 -4.252 1.00 0.00 ? 5 GLY A N 1 ATOM 73 C CA . GLY A 1 5 ? -5.779 -9.549 -4.422 1.00 0.00 ? 5 GLY A CA 1 ATOM 74 C C . GLY A 1 5 ? -4.788 -8.607 -3.724 1.00 0.00 ? 5 GLY A C 1 ATOM 75 O O . GLY A 1 5 ? -3.623 -8.980 -3.577 1.00 0.00 ? 5 GLY A O 1 ATOM 76 H H . GLY A 1 5 ? -7.703 -9.738 -3.532 1.00 0.00 ? 5 GLY A H 1 ATOM 77 H HA2 . GLY A 1 5 ? -5.602 -10.556 -4.040 1.00 0.00 ? 5 GLY A HA2 1 ATOM 78 H HA3 . GLY A 1 5 ? -5.544 -9.531 -5.488 1.00 0.00 ? 5 GLY A HA3 1 ATOM 79 N N . TRP A 1 6 ? -5.209 -7.422 -3.274 1.00 0.00 ? 6 TRP A N 1 ATOM 80 C CA . TRP A 1 6 ? -4.345 -6.456 -2.583 1.00 0.00 ? 6 TRP A CA 1 ATOM 81 C C . TRP A 1 6 ? -4.055 -6.811 -1.115 1.00 0.00 ? 6 TRP A C 1 ATOM 82 O O . TRP A 1 6 ? -4.951 -7.214 -0.369 1.00 0.00 ? 6 TRP A O 1 ATOM 83 C CB . TRP A 1 6 ? -4.930 -5.045 -2.678 1.00 0.00 ? 6 TRP A CB 1 ATOM 84 C CG . TRP A 1 6 ? -4.944 -4.413 -4.035 1.00 0.00 ? 6 TRP A CG 1 ATOM 85 C CD1 . TRP A 1 6 ? -5.942 -4.537 -4.937 1.00 0.00 ? 6 TRP A CD1 1 ATOM 86 C CD2 . TRP A 1 6 ? -3.848 -3.767 -4.756 1.00 0.00 ? 6 TRP A CD2 1 ATOM 87 N NE1 . TRP A 1 6 ? -5.604 -3.890 -6.106 1.00 0.00 ? 6 TRP A NE1 1 ATOM 88 C CE2 . TRP A 1 6 ? -4.305 -3.436 -6.068 1.00 0.00 ? 6 TRP A CE2 1 ATOM 89 C CE3 . TRP A 1 6 ? -2.521 -3.413 -4.431 1.00 0.00 ? 6 TRP A CE3 1 ATOM 90 C CZ2 . TRP A 1 6 ? -3.484 -2.808 -7.014 1.00 0.00 ? 6 TRP A CZ2 1 ATOM 91 C CZ3 . TRP A 1 6 ? -1.693 -2.763 -5.367 1.00 0.00 ? 6 TRP A CZ3 1 ATOM 92 C CH2 . TRP A 1 6 ? -2.169 -2.463 -6.657 1.00 0.00 ? 6 TRP A CH2 1 ATOM 93 H H . TRP A 1 6 ? -6.189 -7.189 -3.374 1.00 0.00 ? 6 TRP A H 1 ATOM 94 H HA . TRP A 1 6 ? -3.386 -6.431 -3.096 1.00 0.00 ? 6 TRP A HA 1 ATOM 95 H HB2 . TRP A 1 6 ? -5.955 -5.080 -2.308 1.00 0.00 ? 6 TRP A HB2 1 ATOM 96 H HB3 . TRP A 1 6 ? -4.353 -4.387 -2.022 1.00 0.00 ? 6 TRP A HB3 1 ATOM 97 H HD1 . TRP A 1 6 ? -6.879 -5.046 -4.753 1.00 0.00 ? 6 TRP A HD1 1 ATOM 98 H HE1 . TRP A 1 6 ? -6.264 -3.748 -6.879 1.00 0.00 ? 6 TRP A HE1 1 ATOM 99 H HE3 . TRP A 1 6 ? -2.149 -3.638 -3.441 1.00 0.00 ? 6 TRP A HE3 1 ATOM 100 H HZ2 . TRP A 1 6 ? -3.866 -2.608 -8.005 1.00 0.00 ? 6 TRP A HZ2 1 ATOM 101 H HZ3 . TRP A 1 6 ? -0.684 -2.491 -5.094 1.00 0.00 ? 6 TRP A HZ3 1 ATOM 102 H HH2 . TRP A 1 6 ? -1.523 -1.970 -7.372 1.00 0.00 ? 6 TRP A HH2 1 ATOM 103 N N . GLU A 1 7 ? -2.813 -6.594 -0.682 1.00 0.00 ? 7 GLU A N 1 ATOM 104 C CA . GLU A 1 7 ? -2.352 -6.711 0.709 1.00 0.00 ? 7 GLU A CA 1 ATOM 105 C C . GLU A 1 7 ? -1.152 -5.777 0.974 1.00 0.00 ? 7 GLU A C 1 ATOM 106 O O . GLU A 1 7 ? -0.409 -5.428 0.050 1.00 0.00 ? 7 GLU A O 1 ATOM 107 C CB . GLU A 1 7 ? -2.051 -8.193 1.020 1.00 0.00 ? 7 GLU A CB 1 ATOM 108 C CG . GLU A 1 7 ? -1.408 -8.567 2.371 1.00 0.00 ? 7 GLU A CG 1 ATOM 109 C CD . GLU A 1 7 ? -2.130 -8.079 3.649 1.00 0.00 ? 7 GLU A CD 1 ATOM 110 O OE1 . GLU A 1 7 ? -2.853 -7.055 3.628 1.00 0.00 ? 7 GLU A OE1 1 ATOM 111 O OE2 . GLU A 1 7 ? -1.950 -8.713 4.716 1.00 0.00 ? 7 GLU A OE2 1 ATOM 112 H H . GLU A 1 7 ? -2.109 -6.338 -1.367 1.00 0.00 ? 7 GLU A H 1 ATOM 113 H HA . GLU A 1 7 ? -3.162 -6.389 1.358 1.00 0.00 ? 7 GLU A HA 1 ATOM 114 H HB2 . GLU A 1 7 ? -2.984 -8.754 0.934 1.00 0.00 ? 7 GLU A HB2 1 ATOM 115 H HB3 . GLU A 1 7 ? -1.385 -8.569 0.241 1.00 0.00 ? 7 GLU A HB3 1 ATOM 116 H HG2 . GLU A 1 7 ? -1.330 -9.656 2.404 1.00 0.00 ? 7 GLU A HG2 1 ATOM 117 H HG3 . GLU A 1 7 ? -0.389 -8.182 2.379 1.00 0.00 ? 7 GLU A HG3 1 ATOM 118 N N . LYS A 1 8 ? -0.948 -5.349 2.226 1.00 0.00 ? 8 LYS A N 1 ATOM 119 C CA . LYS A 1 8 ? 0.230 -4.553 2.623 1.00 0.00 ? 8 LYS A CA 1 ATOM 120 C C . LYS A 1 8 ? 1.547 -5.328 2.505 1.00 0.00 ? 8 LYS A C 1 ATOM 121 O O . LYS A 1 8 ? 1.615 -6.528 2.784 1.00 0.00 ? 8 LYS A O 1 ATOM 122 C CB . LYS A 1 8 ? 0.068 -3.954 4.028 1.00 0.00 ? 8 LYS A CB 1 ATOM 123 C CG . LYS A 1 8 ? -0.851 -2.725 3.988 1.00 0.00 ? 8 LYS A CG 1 ATOM 124 C CD . LYS A 1 8 ? -1.133 -2.145 5.381 1.00 0.00 ? 8 LYS A CD 1 ATOM 125 C CE . LYS A 1 8 ? 0.106 -1.467 5.984 1.00 0.00 ? 8 LYS A CE 1 ATOM 126 N NZ . LYS A 1 8 ? -0.179 -0.920 7.337 1.00 0.00 ? 8 LYS A NZ 1 ATOM 127 H H . LYS A 1 8 ? -1.589 -5.674 2.945 1.00 0.00 ? 8 LYS A H 1 ATOM 128 H HA . LYS A 1 8 ? 0.315 -3.721 1.922 1.00 0.00 ? 8 LYS A HA 1 ATOM 129 H HB2 . LYS A 1 8 ? -0.335 -4.708 4.707 1.00 0.00 ? 8 LYS A HB2 1 ATOM 130 H HB3 . LYS A 1 8 ? 1.046 -3.641 4.399 1.00 0.00 ? 8 LYS A HB3 1 ATOM 131 H HG2 . LYS A 1 8 ? -0.390 -1.952 3.368 1.00 0.00 ? 8 LYS A HG2 1 ATOM 132 H HG3 . LYS A 1 8 ? -1.795 -3.021 3.534 1.00 0.00 ? 8 LYS A HG3 1 ATOM 133 H HD2 . LYS A 1 8 ? -1.929 -1.405 5.291 1.00 0.00 ? 8 LYS A HD2 1 ATOM 134 H HD3 . LYS A 1 8 ? -1.479 -2.943 6.041 1.00 0.00 ? 8 LYS A HD3 1 ATOM 135 H HE2 . LYS A 1 8 ? 0.929 -2.185 6.044 1.00 0.00 ? 8 LYS A HE2 1 ATOM 136 H HE3 . LYS A 1 8 ? 0.419 -0.658 5.317 1.00 0.00 ? 8 LYS A HE3 1 ATOM 137 H HZ1 . LYS A 1 8 ? -0.459 -1.652 7.976 1.00 0.00 ? 8 LYS A HZ1 1 ATOM 138 H HZ2 . LYS A 1 8 ? 0.638 -0.470 7.729 1.00 0.00 ? 8 LYS A HZ2 1 ATOM 139 H HZ3 . LYS A 1 8 ? -0.922 -0.234 7.307 1.00 0.00 ? 8 LYS A HZ3 1 ATOM 140 N N . ARG A 1 9 ? 2.602 -4.608 2.126 1.00 0.00 ? 9 ARG A N 1 ATOM 141 C CA . ARG A 1 9 ? 3.971 -5.101 1.891 1.00 0.00 ? 9 ARG A CA 1 ATOM 142 C C . ARG A 1 9 ? 4.992 -4.033 2.314 1.00 0.00 ? 9 ARG A C 1 ATOM 143 O O . ARG A 1 9 ? 4.613 -2.894 2.593 1.00 0.00 ? 9 ARG A O 1 ATOM 144 C CB . ARG A 1 9 ? 4.066 -5.521 0.407 1.00 0.00 ? 9 ARG A CB 1 ATOM 145 C CG . ARG A 1 9 ? 5.282 -6.401 0.079 1.00 0.00 ? 9 ARG A CG 1 ATOM 146 C CD . ARG A 1 9 ? 5.126 -7.055 -1.301 1.00 0.00 ? 9 ARG A CD 1 ATOM 147 N NE . ARG A 1 9 ? 6.307 -7.873 -1.638 1.00 0.00 ? 9 ARG A NE 1 ATOM 148 C CZ . ARG A 1 9 ? 6.667 -8.287 -2.841 1.00 0.00 ? 9 ARG A CZ 1 ATOM 149 N NH1 . ARG A 1 9 ? 7.782 -8.938 -3.003 1.00 0.00 ? 9 ARG A NH1 1 ATOM 150 N NH2 . ARG A 1 9 ? 5.938 -8.082 -3.901 1.00 0.00 ? 9 ARG A NH2 1 ATOM 151 H H . ARG A 1 9 ? 2.427 -3.621 1.955 1.00 0.00 ? 9 ARG A H 1 ATOM 152 H HA . ARG A 1 9 ? 4.144 -5.978 2.517 1.00 0.00 ? 9 ARG A HA 1 ATOM 153 H HB2 . ARG A 1 9 ? 3.170 -6.098 0.165 1.00 0.00 ? 9 ARG A HB2 1 ATOM 154 H HB3 . ARG A 1 9 ? 4.073 -4.633 -0.226 1.00 0.00 ? 9 ARG A HB3 1 ATOM 155 H HG2 . ARG A 1 9 ? 6.187 -5.790 0.086 1.00 0.00 ? 9 ARG A HG2 1 ATOM 156 H HG3 . ARG A 1 9 ? 5.368 -7.190 0.829 1.00 0.00 ? 9 ARG A HG3 1 ATOM 157 H HD2 . ARG A 1 9 ? 4.237 -7.692 -1.297 1.00 0.00 ? 9 ARG A HD2 1 ATOM 158 H HD3 . ARG A 1 9 ? 5.000 -6.267 -2.047 1.00 0.00 ? 9 ARG A HD3 1 ATOM 159 H HE . ARG A 1 9 ? 6.932 -8.112 -0.883 1.00 0.00 ? 9 ARG A HE 1 ATOM 160 H HH11 . ARG A 1 9 ? 8.380 -9.125 -2.213 1.00 0.00 ? 9 ARG A HH11 1 ATOM 161 H HH12 . ARG A 1 9 ? 8.054 -9.256 -3.920 1.00 0.00 ? 9 ARG A HH12 1 ATOM 162 H HH21 . ARG A 1 9 ? 5.042 -7.636 -3.809 1.00 0.00 ? 9 ARG A HH21 1 ATOM 163 H HH22 . ARG A 1 9 ? 6.234 -8.424 -4.799 1.00 0.00 ? 9 ARG A HH22 1 ATOM 164 N N . MET A 1 10 ? 6.279 -4.377 2.396 1.00 0.00 ? 10 MET A N 1 ATOM 165 C CA . MET A 1 10 ? 7.304 -3.485 2.958 1.00 0.00 ? 10 MET A CA 1 ATOM 166 C C . MET A 1 10 ? 8.707 -3.782 2.410 1.00 0.00 ? 10 MET A C 1 ATOM 167 O O . MET A 1 10 ? 9.123 -4.939 2.302 1.00 0.00 ? 10 MET A O 1 ATOM 168 C CB . MET A 1 10 ? 7.284 -3.594 4.495 1.00 0.00 ? 10 MET A CB 1 ATOM 169 C CG . MET A 1 10 ? 8.142 -2.524 5.185 1.00 0.00 ? 10 MET A CG 1 ATOM 170 S SD . MET A 1 10 ? 8.248 -2.667 6.990 1.00 0.00 ? 10 MET A SD 1 ATOM 171 C CE . MET A 1 10 ? 9.391 -4.070 7.131 1.00 0.00 ? 10 MET A CE 1 ATOM 172 H H . MET A 1 10 ? 6.546 -5.321 2.159 1.00 0.00 ? 10 MET A H 1 ATOM 173 H HA . MET A 1 10 ? 7.045 -2.464 2.683 1.00 0.00 ? 10 MET A HA 1 ATOM 174 H HB2 . MET A 1 10 ? 6.260 -3.483 4.854 1.00 0.00 ? 10 MET A HB2 1 ATOM 175 H HB3 . MET A 1 10 ? 7.639 -4.583 4.784 1.00 0.00 ? 10 MET A HB3 1 ATOM 176 H HG2 . MET A 1 10 ? 9.154 -2.546 4.785 1.00 0.00 ? 10 MET A HG2 1 ATOM 177 H HG3 . MET A 1 10 ? 7.710 -1.552 4.958 1.00 0.00 ? 10 MET A HG3 1 ATOM 178 H HE1 . MET A 1 10 ? 10.322 -3.841 6.612 1.00 0.00 ? 10 MET A HE1 1 ATOM 179 H HE2 . MET A 1 10 ? 9.605 -4.262 8.182 1.00 0.00 ? 10 MET A HE2 1 ATOM 180 H HE3 . MET A 1 10 ? 8.943 -4.963 6.692 1.00 0.00 ? 10 MET A HE3 1 ATOM 181 N N . PHE A 1 11 ? 9.432 -2.718 2.066 1.00 0.00 ? 11 PHE A N 1 ATOM 182 C CA . PHE A 1 11 ? 10.828 -2.732 1.623 1.00 0.00 ? 11 PHE A CA 1 ATOM 183 C C . PHE A 1 11 ? 11.857 -3.018 2.731 1.00 0.00 ? 11 PHE A C 1 ATOM 184 O O . PHE A 1 11 ? 11.582 -2.804 3.915 1.00 0.00 ? 11 PHE A O 1 ATOM 185 C CB . PHE A 1 11 ? 11.139 -1.417 0.890 1.00 0.00 ? 11 PHE A CB 1 ATOM 186 C CG . PHE A 1 11 ? 10.418 -1.229 -0.433 1.00 0.00 ? 11 PHE A CG 1 ATOM 187 C CD1 . PHE A 1 11 ? 10.827 -1.939 -1.578 1.00 0.00 ? 11 PHE A CD1 1 ATOM 188 C CD2 . PHE A 1 11 ? 9.347 -0.320 -0.528 1.00 0.00 ? 11 PHE A CD2 1 ATOM 189 C CE1 . PHE A 1 11 ? 10.176 -1.732 -2.808 1.00 0.00 ? 11 PHE A CE1 1 ATOM 190 C CE2 . PHE A 1 11 ? 8.703 -0.107 -1.757 1.00 0.00 ? 11 PHE A CE2 1 ATOM 191 C CZ . PHE A 1 11 ? 9.114 -0.813 -2.899 1.00 0.00 ? 11 PHE A CZ 1 ATOM 192 H H . PHE A 1 11 ? 9.001 -1.808 2.190 1.00 0.00 ? 11 PHE A H 1 ATOM 193 H HA . PHE A 1 11 ? 10.935 -3.537 0.895 1.00 0.00 ? 11 PHE A HA 1 ATOM 194 H HB2 . PHE A 1 11 ? 10.893 -0.589 1.554 1.00 0.00 ? 11 PHE A HB2 1 ATOM 195 H HB3 . PHE A 1 11 ? 12.212 -1.373 0.683 1.00 0.00 ? 11 PHE A HB3 1 ATOM 196 H HD1 . PHE A 1 11 ? 11.653 -2.634 -1.519 1.00 0.00 ? 11 PHE A HD1 1 ATOM 197 H HD2 . PHE A 1 11 ? 9.003 0.215 0.343 1.00 0.00 ? 11 PHE A HD2 1 ATOM 198 H HE1 . PHE A 1 11 ? 10.495 -2.276 -3.687 1.00 0.00 ? 11 PHE A HE1 1 ATOM 199 H HE2 . PHE A 1 11 ? 7.873 0.586 -1.809 1.00 0.00 ? 11 PHE A HE2 1 ATOM 200 H HZ . PHE A 1 11 ? 8.610 -0.656 -3.845 1.00 0.00 ? 11 PHE A HZ 1 ATOM 201 N N . ALA A 1 12 ? 13.072 -3.436 2.361 1.00 0.00 ? 12 ALA A N 1 ATOM 202 C CA . ALA A 1 12 ? 14.159 -3.739 3.306 1.00 0.00 ? 12 ALA A CA 1 ATOM 203 C C . ALA A 1 12 ? 14.624 -2.525 4.149 1.00 0.00 ? 12 ALA A C 1 ATOM 204 O O . ALA A 1 12 ? 15.179 -2.701 5.237 1.00 0.00 ? 12 ALA A O 1 ATOM 205 C CB . ALA A 1 12 ? 15.322 -4.336 2.506 1.00 0.00 ? 12 ALA A CB 1 ATOM 206 H H . ALA A 1 12 ? 13.250 -3.589 1.379 1.00 0.00 ? 12 ALA A H 1 ATOM 207 H HA . ALA A 1 12 ? 13.803 -4.497 4.006 1.00 0.00 ? 12 ALA A HA 1 ATOM 208 H HB1 . ALA A 1 12 ? 16.126 -4.623 3.185 1.00 0.00 ? 12 ALA A HB1 1 ATOM 209 H HB2 . ALA A 1 12 ? 14.986 -5.223 1.966 1.00 0.00 ? 12 ALA A HB2 1 ATOM 210 H HB3 . ALA A 1 12 ? 15.705 -3.602 1.794 1.00 0.00 ? 12 ALA A HB3 1 ATOM 211 N N . ASN A 1 13 ? 14.377 -1.297 3.675 1.00 0.00 ? 13 ASN A N 1 ATOM 212 C CA . ASN A 1 13 ? 14.632 -0.040 4.397 1.00 0.00 ? 13 ASN A CA 1 ATOM 213 C C . ASN A 1 13 ? 13.531 0.343 5.420 1.00 0.00 ? 13 ASN A C 1 ATOM 214 O O . ASN A 1 13 ? 13.665 1.359 6.110 1.00 0.00 ? 13 ASN A O 1 ATOM 215 C CB . ASN A 1 13 ? 14.880 1.087 3.367 1.00 0.00 ? 13 ASN A CB 1 ATOM 216 C CG . ASN A 1 13 ? 13.694 1.375 2.456 1.00 0.00 ? 13 ASN A CG 1 ATOM 217 O OD1 . ASN A 1 13 ? 12.567 0.987 2.749 1.00 0.00 ? 13 ASN A OD1 1 ATOM 218 N ND2 . ASN A 1 13 ? 13.926 2.084 1.363 1.00 0.00 ? 13 ASN A ND2 1 ATOM 219 H H . ASN A 1 13 ? 13.923 -1.235 2.774 1.00 0.00 ? 13 ASN A H 1 ATOM 220 H HA . ASN A 1 13 ? 15.550 -0.161 4.974 1.00 0.00 ? 13 ASN A HA 1 ATOM 221 H HB2 . ASN A 1 13 ? 15.134 2.009 3.895 1.00 0.00 ? 13 ASN A HB2 1 ATOM 222 H HB3 . ASN A 1 13 ? 15.731 0.803 2.744 1.00 0.00 ? 13 ASN A HB3 1 ATOM 223 H HD21 . ASN A 1 13 ? 14.865 2.406 1.182 1.00 0.00 ? 13 ASN A HD21 1 ATOM 224 N N . GLY A 1 14 ? 12.441 -0.431 5.521 1.00 0.00 ? 14 GLY A N 1 ATOM 225 C CA . GLY A 1 14 ? 11.303 -0.162 6.412 1.00 0.00 ? 14 GLY A CA 1 ATOM 226 C C . GLY A 1 14 ? 10.185 0.710 5.816 1.00 0.00 ? 14 GLY A C 1 ATOM 227 O O . GLY A 1 14 ? 9.396 1.283 6.571 1.00 0.00 ? 14 GLY A O 1 ATOM 228 H H . GLY A 1 14 ? 12.385 -1.253 4.930 1.00 0.00 ? 14 GLY A H 1 ATOM 229 H HA2 . GLY A 1 14 ? 10.857 -1.121 6.683 1.00 0.00 ? 14 GLY A HA2 1 ATOM 230 H HA3 . GLY A 1 14 ? 11.660 0.323 7.322 1.00 0.00 ? 14 GLY A HA3 1 ATOM 231 N N . THR A 1 15 ? 10.087 0.816 4.486 1.00 0.00 ? 15 THR A N 1 ATOM 232 C CA . THR A 1 15 ? 9.057 1.605 3.783 1.00 0.00 ? 15 THR A CA 1 ATOM 233 C C . THR A 1 15 ? 7.873 0.719 3.399 1.00 0.00 ? 15 THR A C 1 ATOM 234 O O . THR A 1 15 ? 8.057 -0.288 2.716 1.00 0.00 ? 15 THR A O 1 ATOM 235 C CB . THR A 1 15 ? 9.643 2.231 2.507 1.00 0.00 ? 15 THR A CB 1 ATOM 236 O OG1 . THR A 1 15 ? 10.749 3.045 2.815 1.00 0.00 ? 15 THR A OG1 1 ATOM 237 C CG2 . THR A 1 15 ? 8.643 3.069 1.720 1.00 0.00 ? 15 THR A CG2 1 ATOM 238 H H . THR A 1 15 ? 10.787 0.356 3.918 1.00 0.00 ? 15 THR A H 1 ATOM 239 H HA . THR A 1 15 ? 8.704 2.414 4.423 1.00 0.00 ? 15 THR A HA 1 ATOM 240 H HB . THR A 1 15 ? 9.999 1.436 1.856 1.00 0.00 ? 15 THR A HB 1 ATOM 241 H HG1 . THR A 1 15 ? 11.438 2.423 3.108 1.00 0.00 ? 15 THR A HG1 1 ATOM 242 H HG21 . THR A 1 15 ? 7.887 2.416 1.282 1.00 0.00 ? 15 THR A HG21 1 ATOM 243 H HG22 . THR A 1 15 ? 8.171 3.797 2.379 1.00 0.00 ? 15 THR A HG22 1 ATOM 244 H HG23 . THR A 1 15 ? 9.158 3.586 0.912 1.00 0.00 ? 15 THR A HG23 1 ATOM 245 N N . VAL A 1 16 ? 6.656 1.094 3.800 1.00 0.00 ? 16 VAL A N 1 ATOM 246 C CA . VAL A 1 16 ? 5.428 0.298 3.590 1.00 0.00 ? 16 VAL A CA 1 ATOM 247 C C . VAL A 1 16 ? 4.727 0.765 2.310 1.00 0.00 ? 16 VAL A C 1 ATOM 248 O O . VAL A 1 16 ? 4.701 1.958 1.990 1.00 0.00 ? 16 VAL A O 1 ATOM 249 C CB . VAL A 1 16 ? 4.484 0.441 4.805 1.00 0.00 ? 16 VAL A CB 1 ATOM 250 C CG1 . VAL A 1 16 ? 3.069 -0.109 4.578 1.00 0.00 ? 16 VAL A CG1 1 ATOM 251 C CG2 . VAL A 1 16 ? 5.052 -0.303 6.020 1.00 0.00 ? 16 VAL A CG2 1 ATOM 252 H H . VAL A 1 16 ? 6.570 1.957 4.321 1.00 0.00 ? 16 VAL A H 1 ATOM 253 H HA . VAL A 1 16 ? 5.683 -0.754 3.478 1.00 0.00 ? 16 VAL A HA 1 ATOM 254 H HB . VAL A 1 16 ? 4.393 1.499 5.058 1.00 0.00 ? 16 VAL A HB 1 ATOM 255 H HG11 . VAL A 1 16 ? 2.551 0.469 3.813 1.00 0.00 ? 16 VAL A HG11 1 ATOM 256 H HG12 . VAL A 1 16 ? 3.114 -1.157 4.278 1.00 0.00 ? 16 VAL A HG12 1 ATOM 257 H HG13 . VAL A 1 16 ? 2.498 -0.021 5.502 1.00 0.00 ? 16 VAL A HG13 1 ATOM 258 H HG21 . VAL A 1 16 ? 4.389 -0.167 6.876 1.00 0.00 ? 16 VAL A HG21 1 ATOM 259 H HG22 . VAL A 1 16 ? 5.126 -1.368 5.800 1.00 0.00 ? 16 VAL A HG22 1 ATOM 260 H HG23 . VAL A 1 16 ? 6.038 0.086 6.275 1.00 0.00 ? 16 VAL A HG23 1 ATOM 261 N N . TYR A 1 17 ? 4.140 -0.188 1.586 1.00 0.00 ? 17 TYR A N 1 ATOM 262 C CA . TYR A 1 17 ? 3.375 0.020 0.354 1.00 0.00 ? 17 TYR A CA 1 ATOM 263 C C . TYR A 1 17 ? 2.293 -1.075 0.225 1.00 0.00 ? 17 TYR A C 1 ATOM 264 O O . TYR A 1 17 ? 2.156 -1.952 1.084 1.00 0.00 ? 17 TYR A O 1 ATOM 265 C CB . TYR A 1 17 ? 4.358 0.012 -0.834 1.00 0.00 ? 17 TYR A CB 1 ATOM 266 C CG . TYR A 1 17 ? 5.050 -1.306 -1.153 1.00 0.00 ? 17 TYR A CG 1 ATOM 267 C CD1 . TYR A 1 17 ? 6.184 -1.709 -0.421 1.00 0.00 ? 17 TYR A CD1 1 ATOM 268 C CD2 . TYR A 1 17 ? 4.612 -2.082 -2.246 1.00 0.00 ? 17 TYR A CD2 1 ATOM 269 C CE1 . TYR A 1 17 ? 6.906 -2.856 -0.807 1.00 0.00 ? 17 TYR A CE1 1 ATOM 270 C CE2 . TYR A 1 17 ? 5.321 -3.239 -2.624 1.00 0.00 ? 17 TYR A CE2 1 ATOM 271 C CZ . TYR A 1 17 ? 6.487 -3.611 -1.923 1.00 0.00 ? 17 TYR A CZ 1 ATOM 272 O OH . TYR A 1 17 ? 7.211 -4.684 -2.335 1.00 0.00 ? 17 TYR A OH 1 ATOM 273 H H . TYR A 1 17 ? 4.187 -1.142 1.933 1.00 0.00 ? 17 TYR A H 1 ATOM 274 H HA . TYR A 1 17 ? 2.874 0.988 0.387 1.00 0.00 ? 17 TYR A HA 1 ATOM 275 H HB2 . TYR A 1 17 ? 3.826 0.344 -1.724 1.00 0.00 ? 17 TYR A HB2 1 ATOM 276 H HB3 . TYR A 1 17 ? 5.131 0.762 -0.651 1.00 0.00 ? 17 TYR A HB3 1 ATOM 277 H HD1 . TYR A 1 17 ? 6.535 -1.109 0.409 1.00 0.00 ? 17 TYR A HD1 1 ATOM 278 H HD2 . TYR A 1 17 ? 3.750 -1.771 -2.819 1.00 0.00 ? 17 TYR A HD2 1 ATOM 279 H HE1 . TYR A 1 17 ? 7.803 -3.135 -0.277 1.00 0.00 ? 17 TYR A HE1 1 ATOM 280 H HE2 . TYR A 1 17 ? 4.995 -3.828 -3.470 1.00 0.00 ? 17 TYR A HE2 1 ATOM 281 H HH . TYR A 1 17 ? 8.055 -4.741 -1.873 1.00 0.00 ? 17 TYR A HH 1 ATOM 282 N N . TYR A 1 18 ? 1.507 -1.023 -0.849 1.00 0.00 ? 18 TYR A N 1 ATOM 283 C CA . TYR A 1 18 ? 0.438 -1.973 -1.167 1.00 0.00 ? 18 TYR A CA 1 ATOM 284 C C . TYR A 1 18 ? 0.799 -2.812 -2.397 1.00 0.00 ? 18 TYR A C 1 ATOM 285 O O . TYR A 1 18 ? 1.326 -2.284 -3.381 1.00 0.00 ? 18 TYR A O 1 ATOM 286 C CB . TYR A 1 18 ? -0.884 -1.219 -1.363 1.00 0.00 ? 18 TYR A CB 1 ATOM 287 C CG . TYR A 1 18 ? -1.323 -0.436 -0.138 1.00 0.00 ? 18 TYR A CG 1 ATOM 288 C CD1 . TYR A 1 18 ? -2.087 -1.060 0.868 1.00 0.00 ? 18 TYR A CD1 1 ATOM 289 C CD2 . TYR A 1 18 ? -0.937 0.912 0.007 1.00 0.00 ? 18 TYR A CD2 1 ATOM 290 C CE1 . TYR A 1 18 ? -2.466 -0.338 2.017 1.00 0.00 ? 18 TYR A CE1 1 ATOM 291 C CE2 . TYR A 1 18 ? -1.302 1.632 1.159 1.00 0.00 ? 18 TYR A CE2 1 ATOM 292 C CZ . TYR A 1 18 ? -2.070 1.010 2.167 1.00 0.00 ? 18 TYR A CZ 1 ATOM 293 O OH . TYR A 1 18 ? -2.426 1.710 3.276 1.00 0.00 ? 18 TYR A OH 1 ATOM 294 H H . TYR A 1 18 ? 1.663 -0.277 -1.518 1.00 0.00 ? 18 TYR A H 1 ATOM 295 H HA . TYR A 1 18 ? 0.300 -2.660 -0.331 1.00 0.00 ? 18 TYR A HA 1 ATOM 296 H HB2 . TYR A 1 18 ? -0.783 -0.534 -2.208 1.00 0.00 ? 18 TYR A HB2 1 ATOM 297 H HB3 . TYR A 1 18 ? -1.664 -1.945 -1.607 1.00 0.00 ? 18 TYR A HB3 1 ATOM 298 H HD1 . TYR A 1 18 ? -2.377 -2.097 0.761 1.00 0.00 ? 18 TYR A HD1 1 ATOM 299 H HD2 . TYR A 1 18 ? -0.350 1.391 -0.766 1.00 0.00 ? 18 TYR A HD2 1 ATOM 300 H HE1 . TYR A 1 18 ? -3.045 -0.819 2.792 1.00 0.00 ? 18 TYR A HE1 1 ATOM 301 H HE2 . TYR A 1 18 ? -1.002 2.663 1.279 1.00 0.00 ? 18 TYR A HE2 1 ATOM 302 H HH . TYR A 1 18 ? -2.966 1.183 3.875 1.00 0.00 ? 18 TYR A HH 1 ATOM 303 N N . PHE A 1 19 ? 0.509 -4.113 -2.360 1.00 0.00 ? 19 PHE A N 1 ATOM 304 C CA . PHE A 1 19 ? 0.875 -5.070 -3.404 1.00 0.00 ? 19 PHE A CA 1 ATOM 305 C C . PHE A 1 19 ? -0.246 -6.058 -3.749 1.00 0.00 ? 19 PHE A C 1 ATOM 306 O O . PHE A 1 19 ? -0.872 -6.620 -2.848 1.00 0.00 ? 19 PHE A O 1 ATOM 307 C CB . PHE A 1 19 ? 2.181 -5.774 -3.016 1.00 0.00 ? 19 PHE A CB 1 ATOM 308 C CG . PHE A 1 19 ? 2.591 -6.841 -4.004 1.00 0.00 ? 19 PHE A CG 1 ATOM 309 C CD1 . PHE A 1 19 ? 3.123 -6.425 -5.233 1.00 0.00 ? 19 PHE A CD1 1 ATOM 310 C CD2 . PHE A 1 19 ? 2.404 -8.214 -3.746 1.00 0.00 ? 19 PHE A CD2 1 ATOM 311 C CE1 . PHE A 1 19 ? 3.459 -7.364 -6.216 1.00 0.00 ? 19 PHE A CE1 1 ATOM 312 C CE2 . PHE A 1 19 ? 2.770 -9.160 -4.722 1.00 0.00 ? 19 PHE A CE2 1 ATOM 313 C CZ . PHE A 1 19 ? 3.292 -8.737 -5.960 1.00 0.00 ? 19 PHE A CZ 1 ATOM 314 H H . PHE A 1 19 ? 0.090 -4.493 -1.517 1.00 0.00 ? 19 PHE A H 1 ATOM 315 H HA . PHE A 1 19 ? 1.088 -4.529 -4.329 1.00 0.00 ? 19 PHE A HA 1 ATOM 316 H HB2 . PHE A 1 19 ? 2.975 -5.029 -2.949 1.00 0.00 ? 19 PHE A HB2 1 ATOM 317 H HB3 . PHE A 1 19 ? 2.057 -6.232 -2.032 1.00 0.00 ? 19 PHE A HB3 1 ATOM 318 H HD1 . PHE A 1 19 ? 3.246 -5.373 -5.439 1.00 0.00 ? 19 PHE A HD1 1 ATOM 319 H HD2 . PHE A 1 19 ? 1.968 -8.551 -2.814 1.00 0.00 ? 19 PHE A HD2 1 ATOM 320 H HE1 . PHE A 1 19 ? 3.827 -7.008 -7.166 1.00 0.00 ? 19 PHE A HE1 1 ATOM 321 H HE2 . PHE A 1 19 ? 2.634 -10.216 -4.527 1.00 0.00 ? 19 PHE A HE2 1 ATOM 322 H HZ . PHE A 1 19 ? 3.553 -9.467 -6.715 1.00 0.00 ? 19 PHE A HZ 1 ATOM 323 N N . ASN A 1 20 ? -0.507 -6.280 -5.037 1.00 0.00 ? 20 ASN A N 1 ATOM 324 C CA . ASN A 1 20 ? -1.509 -7.233 -5.505 1.00 0.00 ? 20 ASN A CA 1 ATOM 325 C C . ASN A 1 20 ? -0.858 -8.584 -5.843 1.00 0.00 ? 20 ASN A C 1 ATOM 326 O O . ASN A 1 20 ? -0.084 -8.690 -6.796 1.00 0.00 ? 20 ASN A O 1 ATOM 327 C CB . ASN A 1 20 ? -2.261 -6.629 -6.697 1.00 0.00 ? 20 ASN A CB 1 ATOM 328 C CG . ASN A 1 20 ? -3.529 -7.415 -6.980 1.00 0.00 ? 20 ASN A CG 1 ATOM 329 O OD1 . ASN A 1 20 ? -3.509 -8.624 -7.147 1.00 0.00 ? 20 ASN A OD1 1 ATOM 330 N ND2 . ASN A 1 20 ? -4.662 -6.762 -7.044 1.00 0.00 ? 20 ASN A ND2 1 ATOM 331 H H . ASN A 1 20 ? 0.051 -5.801 -5.736 1.00 0.00 ? 20 ASN A H 1 ATOM 332 H HA . ASN A 1 20 ? -2.235 -7.392 -4.713 1.00 0.00 ? 20 ASN A HA 1 ATOM 333 H HB2 . ASN A 1 20 ? -2.526 -5.598 -6.467 1.00 0.00 ? 20 ASN A HB2 1 ATOM 334 H HB3 . ASN A 1 20 ? -1.628 -6.640 -7.583 1.00 0.00 ? 20 ASN A HB3 1 ATOM 335 H HD21 . ASN A 1 20 ? -4.684 -5.775 -6.837 1.00 0.00 ? 20 ASN A HD21 1 ATOM 336 H HD22 . ASN A 1 20 ? -5.524 -7.285 -7.123 1.00 0.00 ? 20 ASN A HD22 1 ATOM 337 N N . HIS A 1 21 ? -1.194 -9.636 -5.090 1.00 0.00 ? 21 HIS A N 1 ATOM 338 C CA . HIS A 1 21 ? -0.604 -10.971 -5.272 1.00 0.00 ? 21 HIS A CA 1 ATOM 339 C C . HIS A 1 21 ? -1.123 -11.702 -6.526 1.00 0.00 ? 21 HIS A C 1 ATOM 340 O O . HIS A 1 21 ? -0.440 -12.582 -7.056 1.00 0.00 ? 21 HIS A O 1 ATOM 341 C CB . HIS A 1 21 ? -0.805 -11.790 -3.983 1.00 0.00 ? 21 HIS A CB 1 ATOM 342 C CG . HIS A 1 21 ? -2.074 -12.613 -3.924 1.00 0.00 ? 21 HIS A CG 1 ATOM 343 N ND1 . HIS A 1 21 ? -2.233 -13.898 -4.456 1.00 0.00 ? 21 HIS A ND1 1 ATOM 344 C CD2 . HIS A 1 21 ? -3.221 -12.273 -3.265 1.00 0.00 ? 21 HIS A CD2 1 ATOM 345 C CE1 . HIS A 1 21 ? -3.475 -14.290 -4.123 1.00 0.00 ? 21 HIS A CE1 1 ATOM 346 N NE2 . HIS A 1 21 ? -4.091 -13.332 -3.410 1.00 0.00 ? 21 HIS A NE2 1 ATOM 347 H H . HIS A 1 21 ? -1.874 -9.499 -4.349 1.00 0.00 ? 21 HIS A H 1 ATOM 348 H HA . HIS A 1 21 ? 0.470 -10.844 -5.414 1.00 0.00 ? 21 HIS A HA 1 ATOM 349 H HB2 . HIS A 1 21 ? 0.041 -12.477 -3.898 1.00 0.00 ? 21 HIS A HB2 1 ATOM 350 H HB3 . HIS A 1 21 ? -0.771 -11.124 -3.116 1.00 0.00 ? 21 HIS A HB3 1 ATOM 351 H HD2 . HIS A 1 21 ? -3.402 -11.354 -2.726 1.00 0.00 ? 21 HIS A HD2 1 ATOM 352 H HE1 . HIS A 1 21 ? -3.917 -15.247 -4.385 1.00 0.00 ? 21 HIS A HE1 1 ATOM 353 H HE2 . HIS A 1 21 ? -5.030 -13.403 -3.027 1.00 0.00 ? 21 HIS A HE2 1 ATOM 354 N N . ILE A 1 22 ? -2.310 -11.329 -7.023 1.00 0.00 ? 22 ILE A N 1 ATOM 355 C CA . ILE A 1 22 ? -2.978 -11.934 -8.186 1.00 0.00 ? 22 ILE A CA 1 ATOM 356 C C . ILE A 1 22 ? -2.442 -11.345 -9.501 1.00 0.00 ? 22 ILE A C 1 ATOM 357 O O . ILE A 1 22 ? -2.224 -12.073 -10.473 1.00 0.00 ? 22 ILE A O 1 ATOM 358 C CB . ILE A 1 22 ? -4.510 -11.718 -8.066 1.00 0.00 ? 22 ILE A CB 1 ATOM 359 C CG1 . ILE A 1 22 ? -5.032 -12.261 -6.710 1.00 0.00 ? 22 ILE A CG1 1 ATOM 360 C CG2 . ILE A 1 22 ? -5.243 -12.383 -9.244 1.00 0.00 ? 22 ILE A CG2 1 ATOM 361 C CD1 . ILE A 1 22 ? -6.551 -12.184 -6.509 1.00 0.00 ? 22 ILE A CD1 1 ATOM 362 H H . ILE A 1 22 ? -2.793 -10.565 -6.568 1.00 0.00 ? 22 ILE A H 1 ATOM 363 H HA . ILE A 1 22 ? -2.780 -13.006 -8.192 1.00 0.00 ? 22 ILE A HA 1 ATOM 364 H HB . ILE A 1 22 ? -4.717 -10.643 -8.111 1.00 0.00 ? 22 ILE A HB 1 ATOM 365 H HG12 . ILE A 1 22 ? -4.722 -13.302 -6.595 1.00 0.00 ? 22 ILE A HG12 1 ATOM 366 H HG13 . ILE A 1 22 ? -4.578 -11.681 -5.905 1.00 0.00 ? 22 ILE A HG13 1 ATOM 367 H HG21 . ILE A 1 22 ? -6.312 -12.180 -9.190 1.00 0.00 ? 22 ILE A HG21 1 ATOM 368 H HG22 . ILE A 1 22 ? -4.893 -11.976 -10.192 1.00 0.00 ? 22 ILE A HG22 1 ATOM 369 H HG23 . ILE A 1 22 ? -5.074 -13.459 -9.227 1.00 0.00 ? 22 ILE A HG23 1 ATOM 370 H HD11 . ILE A 1 22 ? -6.908 -11.180 -6.736 1.00 0.00 ? 22 ILE A HD11 1 ATOM 371 H HD12 . ILE A 1 22 ? -7.056 -12.908 -7.147 1.00 0.00 ? 22 ILE A HD12 1 ATOM 372 H HD13 . ILE A 1 22 ? -6.785 -12.419 -5.469 1.00 0.00 ? 22 ILE A HD13 1 ATOM 373 N N . THR A 1 23 ? -2.204 -10.030 -9.523 1.00 0.00 ? 23 THR A N 1 ATOM 374 C CA . THR A 1 23 ? -1.859 -9.238 -10.721 1.00 0.00 ? 23 THR A CA 1 ATOM 375 C C . THR A 1 23 ? -0.424 -8.712 -10.790 1.00 0.00 ? 23 THR A C 1 ATOM 376 O O . THR A 1 23 ? -0.004 -8.191 -11.826 1.00 0.00 ? 23 THR A O 1 ATOM 377 C CB . THR A 1 23 ? -2.873 -8.103 -10.945 1.00 0.00 ? 23 THR A CB 1 ATOM 378 O OG1 . THR A 1 23 ? -2.588 -7.042 -10.064 1.00 0.00 ? 23 THR A OG1 1 ATOM 379 C CG2 . THR A 1 23 ? -4.334 -8.483 -10.705 1.00 0.00 ? 23 THR A CG2 1 ATOM 380 H H . THR A 1 23 ? -2.438 -9.513 -8.682 1.00 0.00 ? 23 THR A H 1 ATOM 381 H HA . THR A 1 23 ? -1.961 -9.891 -11.588 1.00 0.00 ? 23 THR A HA 1 ATOM 382 H HB . THR A 1 23 ? -2.772 -7.741 -11.969 1.00 0.00 ? 23 THR A HB 1 ATOM 383 H HG1 . THR A 1 23 ? -3.440 -6.639 -9.856 1.00 0.00 ? 23 THR A HG1 1 ATOM 384 H HG21 . THR A 1 23 ? -4.512 -8.685 -9.650 1.00 0.00 ? 23 THR A HG21 1 ATOM 385 H HG22 . THR A 1 23 ? -4.977 -7.663 -11.024 1.00 0.00 ? 23 THR A HG22 1 ATOM 386 H HG23 . THR A 1 23 ? -4.578 -9.369 -11.291 1.00 0.00 ? 23 THR A HG23 1 ATOM 387 N N . ASN A 1 24 ? 0.338 -8.845 -9.698 1.00 0.00 ? 24 ASN A N 1 ATOM 388 C CA . ASN A 1 24 ? 1.673 -8.272 -9.484 1.00 0.00 ? 24 ASN A CA 1 ATOM 389 C C . ASN A 1 24 ? 1.739 -6.727 -9.542 1.00 0.00 ? 24 ASN A C 1 ATOM 390 O O . ASN A 1 24 ? 2.833 -6.156 -9.602 1.00 0.00 ? 24 ASN A O 1 ATOM 391 C CB . ASN A 1 24 ? 2.725 -8.987 -10.359 1.00 0.00 ? 24 ASN A CB 1 ATOM 392 C CG . ASN A 1 24 ? 2.769 -10.487 -10.116 1.00 0.00 ? 24 ASN A CG 1 ATOM 393 O OD1 . ASN A 1 24 ? 3.087 -10.958 -9.032 1.00 0.00 ? 24 ASN A OD1 1 ATOM 394 N ND2 . ASN A 1 24 ? 2.496 -11.289 -11.121 1.00 0.00 ? 24 ASN A ND2 1 ATOM 395 H H . ASN A 1 24 ? -0.095 -9.269 -8.886 1.00 0.00 ? 24 ASN A H 1 ATOM 396 H HA . ASN A 1 24 ? 1.931 -8.505 -8.451 1.00 0.00 ? 24 ASN A HA 1 ATOM 397 H HB2 . ASN A 1 24 ? 2.523 -8.787 -11.414 1.00 0.00 ? 24 ASN A HB2 1 ATOM 398 H HB3 . ASN A 1 24 ? 3.716 -8.594 -10.122 1.00 0.00 ? 24 ASN A HB3 1 ATOM 399 H HD21 . ASN A 1 24 ? 2.245 -10.903 -12.022 1.00 0.00 ? 24 ASN A HD21 1 ATOM 400 H HD22 . ASN A 1 24 ? 2.537 -12.287 -10.963 1.00 0.00 ? 24 ASN A HD22 1 ATOM 401 N N . ALA A 1 25 ? 0.594 -6.032 -9.509 1.00 0.00 ? 25 ALA A N 1 ATOM 402 C CA . ALA A 1 25 ? 0.536 -4.573 -9.380 1.00 0.00 ? 25 ALA A CA 1 ATOM 403 C C . ALA A 1 25 ? 1.044 -4.089 -8.004 1.00 0.00 ? 25 ALA A C 1 ATOM 404 O O . ALA A 1 25 ? 0.980 -4.819 -7.010 1.00 0.00 ? 25 ALA A O 1 ATOM 405 C CB . ALA A 1 25 ? -0.900 -4.109 -9.653 1.00 0.00 ? 25 ALA A CB 1 ATOM 406 H H . ALA A 1 25 ? -0.281 -6.540 -9.493 1.00 0.00 ? 25 ALA A H 1 ATOM 407 H HA . ALA A 1 25 ? 1.180 -4.135 -10.146 1.00 0.00 ? 25 ALA A HA 1 ATOM 408 H HB1 . ALA A 1 25 ? -0.946 -3.020 -9.635 1.00 0.00 ? 25 ALA A HB1 1 ATOM 409 H HB2 . ALA A 1 25 ? -1.223 -4.458 -10.635 1.00 0.00 ? 25 ALA A HB2 1 ATOM 410 H HB3 . ALA A 1 25 ? -1.572 -4.505 -8.892 1.00 0.00 ? 25 ALA A HB3 1 ATOM 411 N N . SER A 1 26 ? 1.524 -2.844 -7.928 1.00 0.00 ? 26 SER A N 1 ATOM 412 C CA . SER A 1 26 ? 2.009 -2.212 -6.689 1.00 0.00 ? 26 SER A CA 1 ATOM 413 C C . SER A 1 26 ? 1.655 -0.718 -6.623 1.00 0.00 ? 26 SER A C 1 ATOM 414 O O . SER A 1 26 ? 1.588 -0.045 -7.657 1.00 0.00 ? 26 SER A O 1 ATOM 415 C CB . SER A 1 26 ? 3.520 -2.423 -6.510 1.00 0.00 ? 26 SER A CB 1 ATOM 416 O OG . SER A 1 26 ? 4.270 -1.849 -7.569 1.00 0.00 ? 26 SER A OG 1 ATOM 417 H H . SER A 1 26 ? 1.520 -2.277 -8.765 1.00 0.00 ? 26 SER A H 1 ATOM 418 H HA . SER A 1 26 ? 1.530 -2.709 -5.848 1.00 0.00 ? 26 SER A HA 1 ATOM 419 H HB2 . SER A 1 26 ? 3.829 -1.971 -5.567 1.00 0.00 ? 26 SER A HB2 1 ATOM 420 H HB3 . SER A 1 26 ? 3.731 -3.490 -6.461 1.00 0.00 ? 26 SER A HB3 1 ATOM 421 H HG . SER A 1 26 ? 4.141 -2.400 -8.355 1.00 0.00 ? 26 SER A HG 1 ATOM 422 N N . GLN A 1 27 ? 1.433 -0.192 -5.414 1.00 0.00 ? 27 GLN A N 1 ATOM 423 C CA . GLN A 1 27 ? 1.114 1.221 -5.155 1.00 0.00 ? 27 GLN A CA 1 ATOM 424 C C . GLN A 1 27 ? 1.652 1.738 -3.815 1.00 0.00 ? 27 GLN A C 1 ATOM 425 O O . GLN A 1 27 ? 1.572 1.053 -2.796 1.00 0.00 ? 27 GLN A O 1 ATOM 426 C CB . GLN A 1 27 ? -0.410 1.458 -5.151 1.00 0.00 ? 27 GLN A CB 1 ATOM 427 C CG . GLN A 1 27 ? -1.060 1.477 -6.539 1.00 0.00 ? 27 GLN A CG 1 ATOM 428 C CD . GLN A 1 27 ? -2.539 1.881 -6.550 1.00 0.00 ? 27 GLN A CD 1 ATOM 429 O OE1 . GLN A 1 27 ? -3.219 1.765 -7.562 1.00 0.00 ? 27 GLN A OE1 1 ATOM 430 N NE2 . GLN A 1 27 ? -3.097 2.445 -5.496 1.00 0.00 ? 27 GLN A NE2 1 ATOM 431 H H . GLN A 1 27 ? 1.483 -0.810 -4.609 1.00 0.00 ? 27 GLN A H 1 ATOM 432 H HA . GLN A 1 27 ? 1.556 1.836 -5.941 1.00 0.00 ? 27 GLN A HA 1 ATOM 433 H HB2 . GLN A 1 27 ? -0.899 0.710 -4.523 1.00 0.00 ? 27 GLN A HB2 1 ATOM 434 H HB3 . GLN A 1 27 ? -0.578 2.440 -4.709 1.00 0.00 ? 27 GLN A HB3 1 ATOM 435 H HG2 . GLN A 1 27 ? -0.517 2.198 -7.149 1.00 0.00 ? 27 GLN A HG2 1 ATOM 436 H HG3 . GLN A 1 27 ? -0.973 0.489 -6.987 1.00 0.00 ? 27 GLN A HG3 1 ATOM 437 H HE21 . GLN A 1 27 ? -2.586 2.544 -4.619 1.00 0.00 ? 27 GLN A HE21 1 ATOM 438 H HE22 . GLN A 1 27 ? -4.050 2.766 -5.584 1.00 0.00 ? 27 GLN A HE22 1 ATOM 439 N N . PHE A 1 28 ? 2.132 2.985 -3.801 1.00 0.00 ? 28 PHE A N 1 ATOM 440 C CA . PHE A 1 28 ? 2.473 3.710 -2.569 1.00 0.00 ? 28 PHE A CA 1 ATOM 441 C C . PHE A 1 28 ? 1.273 4.300 -1.804 1.00 0.00 ? 28 PHE A C 1 ATOM 442 O O . PHE A 1 28 ? 1.366 4.608 -0.614 1.00 0.00 ? 28 PHE A O 1 ATOM 443 C CB . PHE A 1 28 ? 3.587 4.736 -2.827 1.00 0.00 ? 28 PHE A CB 1 ATOM 444 C CG . PHE A 1 28 ? 4.969 4.127 -2.982 1.00 0.00 ? 28 PHE A CG 1 ATOM 445 C CD1 . PHE A 1 28 ? 5.495 3.882 -4.266 1.00 0.00 ? 28 PHE A CD1 1 ATOM 446 C CD2 . PHE A 1 28 ? 5.738 3.817 -1.844 1.00 0.00 ? 28 PHE A CD2 1 ATOM 447 C CE1 . PHE A 1 28 ? 6.784 3.338 -4.411 1.00 0.00 ? 28 PHE A CE1 1 ATOM 448 C CE2 . PHE A 1 28 ? 7.029 3.278 -1.989 1.00 0.00 ? 28 PHE A CE2 1 ATOM 449 C CZ . PHE A 1 28 ? 7.554 3.039 -3.272 1.00 0.00 ? 28 PHE A CZ 1 ATOM 450 H H . PHE A 1 28 ? 2.201 3.485 -4.677 1.00 0.00 ? 28 PHE A H 1 ATOM 451 H HA . PHE A 1 28 ? 2.900 2.983 -1.876 1.00 0.00 ? 28 PHE A HA 1 ATOM 452 H HB2 . PHE A 1 28 ? 3.339 5.322 -3.716 1.00 0.00 ? 28 PHE A HB2 1 ATOM 453 H HB3 . PHE A 1 28 ? 3.628 5.422 -1.977 1.00 0.00 ? 28 PHE A HB3 1 ATOM 454 H HD1 . PHE A 1 28 ? 4.910 4.117 -5.145 1.00 0.00 ? 28 PHE A HD1 1 ATOM 455 H HD2 . PHE A 1 28 ? 5.340 3.999 -0.854 1.00 0.00 ? 28 PHE A HD2 1 ATOM 456 H HE1 . PHE A 1 28 ? 7.186 3.152 -5.399 1.00 0.00 ? 28 PHE A HE1 1 ATOM 457 H HE2 . PHE A 1 28 ? 7.620 3.048 -1.114 1.00 0.00 ? 28 PHE A HE2 1 ATOM 458 H HZ . PHE A 1 28 ? 8.547 2.624 -3.383 1.00 0.00 ? 28 PHE A HZ 1 ATOM 459 N N . GLU A 1 29 ? 0.136 4.438 -2.495 1.00 0.00 ? 29 GLU A N 1 ATOM 460 C CA . GLU A 1 29 ? -1.155 4.917 -1.978 1.00 0.00 ? 29 GLU A CA 1 ATOM 461 C C . GLU A 1 29 ? -2.198 3.786 -1.910 1.00 0.00 ? 29 GLU A C 1 ATOM 462 O O . GLU A 1 29 ? -2.193 2.873 -2.744 1.00 0.00 ? 29 GLU A O 1 ATOM 463 C CB . GLU A 1 29 ? -1.618 6.119 -2.829 1.00 0.00 ? 29 GLU A CB 1 ATOM 464 C CG . GLU A 1 29 ? -3.076 6.600 -2.693 1.00 0.00 ? 29 GLU A CG 1 ATOM 465 C CD . GLU A 1 29 ? -3.507 7.079 -1.287 1.00 0.00 ? 29 GLU A CD 1 ATOM 466 O OE1 . GLU A 1 29 ? -4.545 7.780 -1.190 1.00 0.00 ? 29 GLU A OE1 1 ATOM 467 O OE2 . GLU A 1 29 ? -2.846 6.753 -0.272 1.00 0.00 ? 29 GLU A OE2 1 ATOM 468 H H . GLU A 1 29 ? 0.146 4.127 -3.458 1.00 0.00 ? 29 GLU A H 1 ATOM 469 H HA . GLU A 1 29 ? -1.009 5.271 -0.957 1.00 0.00 ? 29 GLU A HA 1 ATOM 470 H HB2 . GLU A 1 29 ? -0.957 6.961 -2.619 1.00 0.00 ? 29 GLU A HB2 1 ATOM 471 H HB3 . GLU A 1 29 ? -1.477 5.856 -3.879 1.00 0.00 ? 29 GLU A HB3 1 ATOM 472 H HG2 . GLU A 1 29 ? -3.215 7.423 -3.399 1.00 0.00 ? 29 GLU A HG2 1 ATOM 473 H HG3 . GLU A 1 29 ? -3.741 5.795 -3.012 1.00 0.00 ? 29 GLU A HG3 1 ATOM 474 N N . ARG A 1 30 ? -3.104 3.852 -0.926 1.00 0.00 ? 30 ARG A N 1 ATOM 475 C CA . ARG A 1 30 ? -4.106 2.815 -0.634 1.00 0.00 ? 30 ARG A CA 1 ATOM 476 C C . ARG A 1 30 ? -5.028 2.539 -1.850 1.00 0.00 ? 30 ARG A C 1 ATOM 477 O O . ARG A 1 30 ? -5.665 3.477 -2.342 1.00 0.00 ? 30 ARG A O 1 ATOM 478 C CB . ARG A 1 30 ? -4.847 3.207 0.661 1.00 0.00 ? 30 ARG A CB 1 ATOM 479 C CG . ARG A 1 30 ? -5.911 2.192 1.111 1.00 0.00 ? 30 ARG A CG 1 ATOM 480 C CD . ARG A 1 30 ? -7.315 2.564 0.612 1.00 0.00 ? 30 ARG A CD 1 ATOM 481 N NE . ARG A 1 30 ? -8.101 1.379 0.238 1.00 0.00 ? 30 ARG A NE 1 ATOM 482 C CZ . ARG A 1 30 ? -8.748 0.540 1.022 1.00 0.00 ? 30 ARG A CZ 1 ATOM 483 N NH1 . ARG A 1 30 ? -8.708 0.603 2.322 1.00 0.00 ? 30 ARG A NH1 1 ATOM 484 N NH2 . ARG A 1 30 ? -9.458 -0.413 0.499 1.00 0.00 ? 30 ARG A NH2 1 ATOM 485 H H . ARG A 1 30 ? -3.072 4.671 -0.324 1.00 0.00 ? 30 ARG A H 1 ATOM 486 H HA . ARG A 1 30 ? -3.554 1.907 -0.409 1.00 0.00 ? 30 ARG A HA 1 ATOM 487 H HB2 . ARG A 1 30 ? -4.104 3.284 1.457 1.00 0.00 ? 30 ARG A HB2 1 ATOM 488 H HB3 . ARG A 1 30 ? -5.302 4.193 0.548 1.00 0.00 ? 30 ARG A HB3 1 ATOM 489 H HG2 . ARG A 1 30 ? -5.632 1.198 0.759 1.00 0.00 ? 30 ARG A HG2 1 ATOM 490 H HG3 . ARG A 1 30 ? -5.937 2.172 2.203 1.00 0.00 ? 30 ARG A HG3 1 ATOM 491 H HD2 . ARG A 1 30 ? -7.834 3.142 1.379 1.00 0.00 ? 30 ARG A HD2 1 ATOM 492 H HD3 . ARG A 1 30 ? -7.234 3.199 -0.271 1.00 0.00 ? 30 ARG A HD3 1 ATOM 493 H HE . ARG A 1 30 ? -8.120 1.154 -0.752 1.00 0.00 ? 30 ARG A HE 1 ATOM 494 H HH11 . ARG A 1 30 ? -9.187 -0.100 2.865 1.00 0.00 ? 30 ARG A HH11 1 ATOM 495 H HH12 . ARG A 1 30 ? -8.175 1.328 2.769 1.00 0.00 ? 30 ARG A HH12 1 ATOM 496 H HH21 . ARG A 1 30 ? -9.569 -0.462 -0.500 1.00 0.00 ? 30 ARG A HH21 1 ATOM 497 H HH22 . ARG A 1 30 ? -9.909 -1.078 1.116 1.00 0.00 ? 30 ARG A HH22 1 ATOM 498 N N . PRO A 1 31 ? -5.100 1.292 -2.362 1.00 0.00 ? 31 PRO A N 1 ATOM 499 C CA . PRO A 1 31 ? -5.764 0.949 -3.628 1.00 0.00 ? 31 PRO A CA 1 ATOM 500 C C . PRO A 1 31 ? -7.295 0.867 -3.527 1.00 0.00 ? 31 PRO A C 1 ATOM 501 O O . PRO A 1 31 ? -7.855 0.629 -2.455 1.00 0.00 ? 31 PRO A O 1 ATOM 502 C CB . PRO A 1 31 ? -5.158 -0.397 -4.047 1.00 0.00 ? 31 PRO A CB 1 ATOM 503 C CG . PRO A 1 31 ? -4.848 -1.054 -2.707 1.00 0.00 ? 31 PRO A CG 1 ATOM 504 C CD . PRO A 1 31 ? -4.389 0.127 -1.861 1.00 0.00 ? 31 PRO A CD 1 ATOM 505 H HA . PRO A 1 31 ? -5.517 1.695 -4.383 1.00 0.00 ? 31 PRO A HA 1 ATOM 506 H HB2 . PRO A 1 31 ? -5.844 -1.001 -4.644 1.00 0.00 ? 31 PRO A HB2 1 ATOM 507 H HB3 . PRO A 1 31 ? -4.226 -0.228 -4.592 1.00 0.00 ? 31 PRO A HB3 1 ATOM 508 H HG2 . PRO A 1 31 ? -5.761 -1.475 -2.284 1.00 0.00 ? 31 PRO A HG2 1 ATOM 509 H HG3 . PRO A 1 31 ? -4.070 -1.809 -2.783 1.00 0.00 ? 31 PRO A HG3 1 ATOM 510 H HD2 . PRO A 1 31 ? -4.607 -0.055 -0.809 1.00 0.00 ? 31 PRO A HD2 1 ATOM 511 H HD3 . PRO A 1 31 ? -3.321 0.280 -2.006 1.00 0.00 ? 31 PRO A HD3 1 ATOM 512 N N . SER A 1 32 ? -7.977 1.006 -4.670 1.00 0.00 ? 32 SER A N 1 ATOM 513 C CA . SER A 1 32 ? -9.449 0.968 -4.782 1.00 0.00 ? 32 SER A CA 1 ATOM 514 C C . SER A 1 32 ? -9.966 0.077 -5.935 1.00 0.00 ? 32 SER A C 1 ATOM 515 O O . SER A 1 32 ? -11.160 0.106 -6.252 1.00 0.00 ? 32 SER A O 1 ATOM 516 C CB . SER A 1 32 ? -9.977 2.409 -4.879 1.00 0.00 ? 32 SER A CB 1 ATOM 517 O OG . SER A 1 32 ? -11.390 2.456 -4.764 1.00 0.00 ? 32 SER A OG 1 ATOM 518 H H . SER A 1 32 ? -7.448 1.224 -5.505 1.00 0.00 ? 32 SER A H 1 ATOM 519 H HA . SER A 1 32 ? -9.854 0.539 -3.866 1.00 0.00 ? 32 SER A HA 1 ATOM 520 H HB2 . SER A 1 32 ? -9.540 3.005 -4.076 1.00 0.00 ? 32 SER A HB2 1 ATOM 521 H HB3 . SER A 1 32 ? -9.674 2.840 -5.835 1.00 0.00 ? 32 SER A HB3 1 ATOM 522 H HG . SER A 1 32 ? -11.746 1.830 -5.418 1.00 0.00 ? 32 SER A HG 1 ATOM 523 N N . GLY A 1 33 ? -9.090 -0.715 -6.572 1.00 0.00 ? 33 GLY A N 1 ATOM 524 C CA . GLY A 1 33 ? -9.424 -1.644 -7.666 1.00 0.00 ? 33 GLY A CA 1 ATOM 525 C C . GLY A 1 33 ? -8.193 -2.156 -8.412 1.00 0.00 ? 33 GLY A C 1 ATOM 526 O O . GLY A 1 33 ? -7.620 -3.176 -7.976 1.00 0.00 ? 33 GLY A O 1 ATOM 527 O OXT . GLY A 1 33 ? -7.815 -1.526 -9.424 1.00 0.00 ? 33 GLY A OXT 1 ATOM 528 H H . GLY A 1 33 ? -8.131 -0.701 -6.254 1.00 0.00 ? 33 GLY A H 1 ATOM 529 H HA2 . GLY A 1 33 ? -9.957 -2.504 -7.263 1.00 0.00 ? 33 GLY A HA2 1 ATOM 530 H HA3 . GLY A 1 33 ? -10.075 -1.149 -8.386 1.00 0.00 ? 33 GLY A HA3 1 HETATM 531 C C1 . GAL B 2 . ? 12.937 2.257 0.315 1.00 0.00 ? 101 GAL A C1 1 HETATM 532 C C2 . GAL B 2 . ? 12.724 3.732 -0.095 1.00 0.00 ? 101 GAL A C2 1 HETATM 533 C C3 . GAL B 2 . ? 11.694 3.764 -1.241 1.00 0.00 ? 101 GAL A C3 1 HETATM 534 C C4 . GAL B 2 . ? 12.153 2.899 -2.432 1.00 0.00 ? 101 GAL A C4 1 HETATM 535 C C5 . GAL B 2 . ? 12.513 1.466 -1.988 1.00 0.00 ? 101 GAL A C5 1 HETATM 536 C C6 . GAL B 2 . ? 13.134 0.606 -3.101 1.00 0.00 ? 101 GAL A C6 1 HETATM 537 O O2 . GAL B 2 . ? 12.247 4.542 1.020 1.00 0.00 ? 101 GAL A O2 1 HETATM 538 O O3 . GAL B 2 . ? 11.507 5.130 -1.703 1.00 0.00 ? 101 GAL A O3 1 HETATM 539 O O4 . GAL B 2 . ? 13.311 3.531 -3.027 1.00 0.00 ? 101 GAL A O4 1 HETATM 540 O O5 . GAL B 2 . ? 13.447 1.504 -0.831 1.00 0.00 ? 101 GAL A O5 1 HETATM 541 O O6 . GAL B 2 . ? 13.657 -0.598 -2.509 1.00 0.00 ? 101 GAL A O6 1 HETATM 542 H H1 . GAL B 2 . ? 11.989 1.819 0.628 1.00 0.00 ? 101 GAL A H1 1 HETATM 543 H H2 . GAL B 2 . ? 13.670 4.151 -0.440 1.00 0.00 ? 101 GAL A H2 1 HETATM 544 H H3 . GAL B 2 . ? 10.739 3.386 -0.876 1.00 0.00 ? 101 GAL A H3 1 HETATM 545 H H4 . GAL B 2 . ? 11.357 2.858 -3.177 1.00 0.00 ? 101 GAL A H4 1 HETATM 546 H H5 . GAL B 2 . ? 11.596 0.979 -1.659 1.00 0.00 ? 101 GAL A H5 1 HETATM 547 H H61 . GAL B 2 . ? 12.384 0.353 -3.853 1.00 0.00 ? 101 GAL A H61 1 HETATM 548 H H62 . GAL B 2 . ? 13.958 1.135 -3.584 1.00 0.00 ? 101 GAL A H62 1 HETATM 549 H HO2 . GAL B 2 . ? 11.654 4.014 1.590 1.00 0.00 ? 101 GAL A HO2 1 HETATM 550 H HO3 . GAL B 2 . ? 11.357 5.685 -0.922 1.00 0.00 ? 101 GAL A HO3 1 HETATM 551 H HO4 . GAL B 2 . ? 13.087 4.468 -3.152 1.00 0.00 ? 101 GAL A HO4 1 HETATM 552 H HO6 . GAL B 2 . ? 14.079 -0.323 -1.682 1.00 0.00 ? 101 GAL A HO6 1 ATOM 553 N N . LYS A 1 1 ? -10.758 -5.580 4.426 1.00 0.00 ? 1 LYS A N 2 ATOM 554 C CA . LYS A 1 1 ? -9.565 -4.714 4.633 1.00 0.00 ? 1 LYS A CA 2 ATOM 555 C C . LYS A 1 1 ? -9.170 -3.998 3.335 1.00 0.00 ? 1 LYS A C 2 ATOM 556 O O . LYS A 1 1 ? -9.427 -2.800 3.192 1.00 0.00 ? 1 LYS A O 2 ATOM 557 C CB . LYS A 1 1 ? -8.395 -5.495 5.282 1.00 0.00 ? 1 LYS A CB 2 ATOM 558 C CG . LYS A 1 1 ? -7.220 -4.586 5.693 1.00 0.00 ? 1 LYS A CG 2 ATOM 559 C CD . LYS A 1 1 ? -6.004 -5.372 6.214 1.00 0.00 ? 1 LYS A CD 2 ATOM 560 C CE . LYS A 1 1 ? -5.235 -6.051 5.071 1.00 0.00 ? 1 LYS A CE 2 ATOM 561 N NZ . LYS A 1 1 ? -4.037 -6.775 5.564 1.00 0.00 ? 1 LYS A NZ 2 ATOM 562 H H1 . LYS A 1 1 ? -10.557 -6.332 3.782 1.00 0.00 ? 1 LYS A H1 2 ATOM 563 H H2 . LYS A 1 1 ? -11.529 -5.041 4.059 1.00 0.00 ? 1 LYS A H2 2 ATOM 564 H H3 . LYS A 1 1 ? -11.052 -5.985 5.302 1.00 0.00 ? 1 LYS A H3 2 ATOM 565 H HA . LYS A 1 1 ? -9.850 -3.926 5.331 1.00 0.00 ? 1 LYS A HA 2 ATOM 566 H HB2 . LYS A 1 1 ? -8.762 -5.999 6.178 1.00 0.00 ? 1 LYS A HB2 2 ATOM 567 H HB3 . LYS A 1 1 ? -8.041 -6.263 4.593 1.00 0.00 ? 1 LYS A HB3 2 ATOM 568 H HG2 . LYS A 1 1 ? -6.903 -3.969 4.853 1.00 0.00 ? 1 LYS A HG2 2 ATOM 569 H HG3 . LYS A 1 1 ? -7.566 -3.920 6.486 1.00 0.00 ? 1 LYS A HG3 2 ATOM 570 H HD2 . LYS A 1 1 ? -5.335 -4.671 6.717 1.00 0.00 ? 1 LYS A HD2 2 ATOM 571 H HD3 . LYS A 1 1 ? -6.332 -6.117 6.941 1.00 0.00 ? 1 LYS A HD3 2 ATOM 572 H HE2 . LYS A 1 1 ? -5.896 -6.748 4.549 1.00 0.00 ? 1 LYS A HE2 2 ATOM 573 H HE3 . LYS A 1 1 ? -4.925 -5.280 4.361 1.00 0.00 ? 1 LYS A HE3 2 ATOM 574 H HZ1 . LYS A 1 1 ? -4.290 -7.555 6.155 1.00 0.00 ? 1 LYS A HZ1 2 ATOM 575 H HZ2 . LYS A 1 1 ? -3.489 -7.146 4.784 1.00 0.00 ? 1 LYS A HZ2 2 ATOM 576 H HZ3 . LYS A 1 1 ? -3.426 -6.167 6.090 1.00 0.00 ? 1 LYS A HZ3 2 ATOM 577 N N . LEU A 1 2 ? -8.553 -4.715 2.388 1.00 0.00 ? 2 LEU A N 2 ATOM 578 C CA . LEU A 1 2 ? -8.095 -4.229 1.076 1.00 0.00 ? 2 LEU A CA 2 ATOM 579 C C . LEU A 1 2 ? -8.983 -4.757 -0.080 1.00 0.00 ? 2 LEU A C 2 ATOM 580 O O . LEU A 1 2 ? -9.747 -5.707 0.131 1.00 0.00 ? 2 LEU A O 2 ATOM 581 C CB . LEU A 1 2 ? -6.624 -4.662 0.906 1.00 0.00 ? 2 LEU A CB 2 ATOM 582 C CG . LEU A 1 2 ? -5.630 -3.776 1.674 1.00 0.00 ? 2 LEU A CG 2 ATOM 583 C CD1 . LEU A 1 2 ? -4.278 -4.469 1.806 1.00 0.00 ? 2 LEU A CD1 2 ATOM 584 C CD2 . LEU A 1 2 ? -5.390 -2.458 0.943 1.00 0.00 ? 2 LEU A CD2 2 ATOM 585 H H . LEU A 1 2 ? -8.385 -5.693 2.574 1.00 0.00 ? 2 LEU A H 2 ATOM 586 H HA . LEU A 1 2 ? -8.154 -3.142 1.060 1.00 0.00 ? 2 LEU A HA 2 ATOM 587 H HB2 . LEU A 1 2 ? -6.525 -5.699 1.241 1.00 0.00 ? 2 LEU A HB2 2 ATOM 588 H HB3 . LEU A 1 2 ? -6.354 -4.624 -0.146 1.00 0.00 ? 2 LEU A HB3 2 ATOM 589 H HG . LEU A 1 2 ? -6.014 -3.572 2.673 1.00 0.00 ? 2 LEU A HG 2 ATOM 590 H HD11 . LEU A 1 2 ? -3.841 -4.616 0.819 1.00 0.00 ? 2 LEU A HD11 2 ATOM 591 H HD12 . LEU A 1 2 ? -3.611 -3.855 2.408 1.00 0.00 ? 2 LEU A HD12 2 ATOM 592 H HD13 . LEU A 1 2 ? -4.405 -5.436 2.289 1.00 0.00 ? 2 LEU A HD13 2 ATOM 593 H HD21 . LEU A 1 2 ? -6.335 -1.975 0.725 1.00 0.00 ? 2 LEU A HD21 2 ATOM 594 H HD22 . LEU A 1 2 ? -4.796 -1.797 1.570 1.00 0.00 ? 2 LEU A HD22 2 ATOM 595 H HD23 . LEU A 1 2 ? -4.864 -2.640 0.006 1.00 0.00 ? 2 LEU A HD23 2 ATOM 596 N N . PRO A 1 3 ? -8.900 -4.178 -1.300 1.00 0.00 ? 3 PRO A N 2 ATOM 597 C CA . PRO A 1 3 ? -9.626 -4.669 -2.479 1.00 0.00 ? 3 PRO A CA 2 ATOM 598 C C . PRO A 1 3 ? -9.111 -6.045 -2.966 1.00 0.00 ? 3 PRO A C 2 ATOM 599 O O . PRO A 1 3 ? -8.062 -6.508 -2.501 1.00 0.00 ? 3 PRO A O 2 ATOM 600 C CB . PRO A 1 3 ? -9.476 -3.585 -3.559 1.00 0.00 ? 3 PRO A CB 2 ATOM 601 C CG . PRO A 1 3 ? -8.856 -2.387 -2.845 1.00 0.00 ? 3 PRO A CG 2 ATOM 602 C CD . PRO A 1 3 ? -8.125 -3.001 -1.662 1.00 0.00 ? 3 PRO A CD 2 ATOM 603 H HA . PRO A 1 3 ? -10.680 -4.758 -2.217 1.00 0.00 ? 3 PRO A HA 2 ATOM 604 H HB2 . PRO A 1 3 ? -8.805 -3.919 -4.351 1.00 0.00 ? 3 PRO A HB2 2 ATOM 605 H HB3 . PRO A 1 3 ? -10.446 -3.319 -3.983 1.00 0.00 ? 3 PRO A HB3 2 ATOM 606 H HG2 . PRO A 1 3 ? -8.167 -1.852 -3.497 1.00 0.00 ? 3 PRO A HG2 2 ATOM 607 H HG3 . PRO A 1 3 ? -9.646 -1.727 -2.482 1.00 0.00 ? 3 PRO A HG3 2 ATOM 608 H HD2 . PRO A 1 3 ? -7.124 -3.304 -1.971 1.00 0.00 ? 3 PRO A HD2 2 ATOM 609 H HD3 . PRO A 1 3 ? -8.067 -2.273 -0.854 1.00 0.00 ? 3 PRO A HD3 2 ATOM 610 N N . PRO A 1 4 ? -9.797 -6.708 -3.921 1.00 0.00 ? 4 PRO A N 2 ATOM 611 C CA . PRO A 1 4 ? -9.459 -8.061 -4.374 1.00 0.00 ? 4 PRO A CA 2 ATOM 612 C C . PRO A 1 4 ? -7.993 -8.239 -4.808 1.00 0.00 ? 4 PRO A C 2 ATOM 613 O O . PRO A 1 4 ? -7.497 -7.556 -5.708 1.00 0.00 ? 4 PRO A O 2 ATOM 614 C CB . PRO A 1 4 ? -10.441 -8.374 -5.509 1.00 0.00 ? 4 PRO A CB 2 ATOM 615 C CG . PRO A 1 4 ? -11.668 -7.547 -5.131 1.00 0.00 ? 4 PRO A CG 2 ATOM 616 C CD . PRO A 1 4 ? -11.048 -6.283 -4.538 1.00 0.00 ? 4 PRO A CD 2 ATOM 617 H HA . PRO A 1 4 ? -9.668 -8.745 -3.549 1.00 0.00 ? 4 PRO A HA 2 ATOM 618 H HB2 . PRO A 1 4 ? -10.048 -8.018 -6.464 1.00 0.00 ? 4 PRO A HB2 2 ATOM 619 H HB3 . PRO A 1 4 ? -10.672 -9.439 -5.561 1.00 0.00 ? 4 PRO A HB3 2 ATOM 620 H HG2 . PRO A 1 4 ? -12.291 -7.324 -5.998 1.00 0.00 ? 4 PRO A HG2 2 ATOM 621 H HG3 . PRO A 1 4 ? -12.242 -8.070 -4.364 1.00 0.00 ? 4 PRO A HG3 2 ATOM 622 H HD2 . PRO A 1 4 ? -10.833 -5.571 -5.337 1.00 0.00 ? 4 PRO A HD2 2 ATOM 623 H HD3 . PRO A 1 4 ? -11.733 -5.844 -3.812 1.00 0.00 ? 4 PRO A HD3 2 ATOM 624 N N . GLY A 1 5 ? -7.301 -9.179 -4.157 1.00 0.00 ? 5 GLY A N 2 ATOM 625 C CA . GLY A 1 5 ? -5.901 -9.538 -4.415 1.00 0.00 ? 5 GLY A CA 2 ATOM 626 C C . GLY A 1 5 ? -4.837 -8.659 -3.743 1.00 0.00 ? 5 GLY A C 2 ATOM 627 O O . GLY A 1 5 ? -3.678 -9.072 -3.686 1.00 0.00 ? 5 GLY A O 2 ATOM 628 H H . GLY A 1 5 ? -7.779 -9.686 -3.425 1.00 0.00 ? 5 GLY A H 2 ATOM 629 H HA2 . GLY A 1 5 ? -5.742 -10.564 -4.081 1.00 0.00 ? 5 GLY A HA2 2 ATOM 630 H HA3 . GLY A 1 5 ? -5.723 -9.487 -5.491 1.00 0.00 ? 5 GLY A HA3 2 ATOM 631 N N . TRP A 1 6 ? -5.189 -7.482 -3.219 1.00 0.00 ? 6 TRP A N 2 ATOM 632 C CA . TRP A 1 6 ? -4.249 -6.568 -2.557 1.00 0.00 ? 6 TRP A CA 2 ATOM 633 C C . TRP A 1 6 ? -3.854 -6.990 -1.129 1.00 0.00 ? 6 TRP A C 2 ATOM 634 O O . TRP A 1 6 ? -4.691 -7.458 -0.353 1.00 0.00 ? 6 TRP A O 2 ATOM 635 C CB . TRP A 1 6 ? -4.799 -5.139 -2.562 1.00 0.00 ? 6 TRP A CB 2 ATOM 636 C CG . TRP A 1 6 ? -4.888 -4.454 -3.890 1.00 0.00 ? 6 TRP A CG 2 ATOM 637 C CD1 . TRP A 1 6 ? -5.957 -4.500 -4.714 1.00 0.00 ? 6 TRP A CD1 2 ATOM 638 C CD2 . TRP A 1 6 ? -3.828 -3.816 -4.669 1.00 0.00 ? 6 TRP A CD2 2 ATOM 639 N NE1 . TRP A 1 6 ? -5.686 -3.810 -5.877 1.00 0.00 ? 6 TRP A NE1 2 ATOM 640 C CE2 . TRP A 1 6 ? -4.372 -3.406 -5.924 1.00 0.00 ? 6 TRP A CE2 2 ATOM 641 C CE3 . TRP A 1 6 ? -2.466 -3.524 -4.435 1.00 0.00 ? 6 TRP A CE3 2 ATOM 642 C CZ2 . TRP A 1 6 ? -3.604 -2.763 -6.903 1.00 0.00 ? 6 TRP A CZ2 2 ATOM 643 C CZ3 . TRP A 1 6 ? -1.689 -2.859 -5.404 1.00 0.00 ? 6 TRP A CZ3 2 ATOM 644 C CH2 . TRP A 1 6 ? -2.252 -2.482 -6.637 1.00 0.00 ? 6 TRP A CH2 2 ATOM 645 H H . TRP A 1 6 ? -6.165 -7.215 -3.247 1.00 0.00 ? 6 TRP A H 2 ATOM 646 H HA . TRP A 1 6 ? -3.332 -6.548 -3.142 1.00 0.00 ? 6 TRP A HA 2 ATOM 647 H HB2 . TRP A 1 6 ? -5.800 -5.166 -2.136 1.00 0.00 ? 6 TRP A HB2 2 ATOM 648 H HB3 . TRP A 1 6 ? -4.166 -4.521 -1.920 1.00 0.00 ? 6 TRP A HB3 2 ATOM 649 H HD1 . TRP A 1 6 ? -6.898 -4.979 -4.477 1.00 0.00 ? 6 TRP A HD1 2 ATOM 650 H HE1 . TRP A 1 6 ? -6.401 -3.600 -6.584 1.00 0.00 ? 6 TRP A HE1 2 ATOM 651 H HE3 . TRP A 1 6 ? -2.026 -3.809 -3.491 1.00 0.00 ? 6 TRP A HE3 2 ATOM 652 H HZ2 . TRP A 1 6 ? -4.053 -2.502 -7.850 1.00 0.00 ? 6 TRP A HZ2 2 ATOM 653 H HZ3 . TRP A 1 6 ? -0.651 -2.637 -5.200 1.00 0.00 ? 6 TRP A HZ3 2 ATOM 654 H HH2 . TRP A 1 6 ? -1.645 -1.981 -7.380 1.00 0.00 ? 6 TRP A HH2 2 ATOM 655 N N . GLU A 1 7 ? -2.592 -6.764 -0.759 1.00 0.00 ? 7 GLU A N 2 ATOM 656 C CA . GLU A 1 7 ? -2.041 -6.962 0.591 1.00 0.00 ? 7 GLU A CA 2 ATOM 657 C C . GLU A 1 7 ? -0.901 -5.967 0.899 1.00 0.00 ? 7 GLU A C 2 ATOM 658 O O . GLU A 1 7 ? -0.168 -5.550 -0.005 1.00 0.00 ? 7 GLU A O 2 ATOM 659 C CB . GLU A 1 7 ? -1.614 -8.437 0.756 1.00 0.00 ? 7 GLU A CB 2 ATOM 660 C CG . GLU A 1 7 ? -0.844 -8.845 2.029 1.00 0.00 ? 7 GLU A CG 2 ATOM 661 C CD . GLU A 1 7 ? -1.527 -8.541 3.383 1.00 0.00 ? 7 GLU A CD 2 ATOM 662 O OE1 . GLU A 1 7 ? -1.203 -9.226 4.382 1.00 0.00 ? 7 GLU A OE1 2 ATOM 663 O OE2 . GLU A 1 7 ? -2.366 -7.613 3.488 1.00 0.00 ? 7 GLU A OE2 2 ATOM 664 H H . GLU A 1 7 ? -1.938 -6.462 -1.474 1.00 0.00 ? 7 GLU A H 2 ATOM 665 H HA . GLU A 1 7 ? -2.837 -6.769 1.306 1.00 0.00 ? 7 GLU A HA 2 ATOM 666 H HB2 . GLU A 1 7 ? -2.505 -9.062 0.686 1.00 0.00 ? 7 GLU A HB2 2 ATOM 667 H HB3 . GLU A 1 7 ? -0.978 -8.696 -0.093 1.00 0.00 ? 7 GLU A HB3 2 ATOM 668 H HG2 . GLU A 1 7 ? -0.655 -9.919 1.962 1.00 0.00 ? 7 GLU A HG2 2 ATOM 669 H HG3 . GLU A 1 7 ? 0.130 -8.356 2.008 1.00 0.00 ? 7 GLU A HG3 2 ATOM 670 N N . LYS A 1 8 ? -0.741 -5.579 2.173 1.00 0.00 ? 8 LYS A N 2 ATOM 671 C CA . LYS A 1 8 ? 0.365 -4.722 2.641 1.00 0.00 ? 8 LYS A CA 2 ATOM 672 C C . LYS A 1 8 ? 1.724 -5.422 2.624 1.00 0.00 ? 8 LYS A C 2 ATOM 673 O O . LYS A 1 8 ? 1.853 -6.578 3.039 1.00 0.00 ? 8 LYS A O 2 ATOM 674 C CB . LYS A 1 8 ? 0.092 -4.146 4.042 1.00 0.00 ? 8 LYS A CB 2 ATOM 675 C CG . LYS A 1 8 ? -0.768 -2.880 3.954 1.00 0.00 ? 8 LYS A CG 2 ATOM 676 C CD . LYS A 1 8 ? -1.092 -2.269 5.325 1.00 0.00 ? 8 LYS A CD 2 ATOM 677 C CE . LYS A 1 8 ? 0.154 -1.678 6.000 1.00 0.00 ? 8 LYS A CE 2 ATOM 678 N NZ . LYS A 1 8 ? -0.180 -1.054 7.306 1.00 0.00 ? 8 LYS A NZ 2 ATOM 679 H H . LYS A 1 8 ? -1.362 -5.993 2.864 1.00 0.00 ? 8 LYS A H 2 ATOM 680 H HA . LYS A 1 8 ? 0.451 -3.883 1.947 1.00 0.00 ? 8 LYS A HA 2 ATOM 681 H HB2 . LYS A 1 8 ? -0.399 -4.896 4.665 1.00 0.00 ? 8 LYS A HB2 2 ATOM 682 H HB3 . LYS A 1 8 ? 1.042 -3.880 4.508 1.00 0.00 ? 8 LYS A HB3 2 ATOM 683 H HG2 . LYS A 1 8 ? -0.243 -2.133 3.352 1.00 0.00 ? 8 LYS A HG2 2 ATOM 684 H HG3 . LYS A 1 8 ? -1.702 -3.139 3.457 1.00 0.00 ? 8 LYS A HG3 2 ATOM 685 H HD2 . LYS A 1 8 ? -1.825 -1.473 5.180 1.00 0.00 ? 8 LYS A HD2 2 ATOM 686 H HD3 . LYS A 1 8 ? -1.535 -3.033 5.966 1.00 0.00 ? 8 LYS A HD3 2 ATOM 687 H HE2 . LYS A 1 8 ? 0.897 -2.467 6.148 1.00 0.00 ? 8 LYS A HE2 2 ATOM 688 H HE3 . LYS A 1 8 ? 0.592 -0.930 5.333 1.00 0.00 ? 8 LYS A HE3 2 ATOM 689 H HZ1 . LYS A 1 8 ? -0.848 -0.303 7.193 1.00 0.00 ? 8 LYS A HZ1 2 ATOM 690 H HZ2 . LYS A 1 8 ? -0.577 -1.730 7.945 1.00 0.00 ? 8 LYS A HZ2 2 ATOM 691 H HZ3 . LYS A 1 8 ? 0.644 -0.666 7.746 1.00 0.00 ? 8 LYS A HZ3 2 ATOM 692 N N . ARG A 1 9 ? 2.746 -4.682 2.199 1.00 0.00 ? 9 ARG A N 2 ATOM 693 C CA . ARG A 1 9 ? 4.164 -5.078 2.120 1.00 0.00 ? 9 ARG A CA 2 ATOM 694 C C . ARG A 1 9 ? 5.059 -3.995 2.738 1.00 0.00 ? 9 ARG A C 2 ATOM 695 O O . ARG A 1 9 ? 4.598 -2.887 3.024 1.00 0.00 ? 9 ARG A O 2 ATOM 696 C CB . ARG A 1 9 ? 4.565 -5.295 0.648 1.00 0.00 ? 9 ARG A CB 2 ATOM 697 C CG . ARG A 1 9 ? 3.666 -6.163 -0.248 1.00 0.00 ? 9 ARG A CG 2 ATOM 698 C CD . ARG A 1 9 ? 3.346 -7.587 0.230 1.00 0.00 ? 9 ARG A CD 2 ATOM 699 N NE . ARG A 1 9 ? 4.535 -8.317 0.715 1.00 0.00 ? 9 ARG A NE 2 ATOM 700 C CZ . ARG A 1 9 ? 4.725 -8.828 1.920 1.00 0.00 ? 9 ARG A CZ 2 ATOM 701 N NH1 . ARG A 1 9 ? 3.901 -8.637 2.913 1.00 0.00 ? 9 ARG A NH1 2 ATOM 702 N NH2 . ARG A 1 9 ? 5.780 -9.551 2.159 1.00 0.00 ? 9 ARG A NH2 2 ATOM 703 H H . ARG A 1 9 ? 2.520 -3.730 1.923 1.00 0.00 ? 9 ARG A H 2 ATOM 704 H HA . ARG A 1 9 ? 4.332 -5.997 2.681 1.00 0.00 ? 9 ARG A HA 2 ATOM 705 H HB2 . ARG A 1 9 ? 4.600 -4.312 0.180 1.00 0.00 ? 9 ARG A HB2 2 ATOM 706 H HB3 . ARG A 1 9 ? 5.574 -5.709 0.620 1.00 0.00 ? 9 ARG A HB3 2 ATOM 707 H HG2 . ARG A 1 9 ? 2.721 -5.637 -0.402 1.00 0.00 ? 9 ARG A HG2 2 ATOM 708 H HG3 . ARG A 1 9 ? 4.170 -6.246 -1.214 1.00 0.00 ? 9 ARG A HG3 2 ATOM 709 H HD2 . ARG A 1 9 ? 2.577 -7.542 0.998 1.00 0.00 ? 9 ARG A HD2 2 ATOM 710 H HD3 . ARG A 1 9 ? 2.925 -8.136 -0.619 1.00 0.00 ? 9 ARG A HD3 2 ATOM 711 H HE . ARG A 1 9 ? 5.231 -8.554 0.024 1.00 0.00 ? 9 ARG A HE 2 ATOM 712 H HH11 . ARG A 1 9 ? 3.095 -8.034 2.795 1.00 0.00 ? 9 ARG A HH11 2 ATOM 713 H HH12 . ARG A 1 9 ? 4.082 -9.054 3.811 1.00 0.00 ? 9 ARG A HH12 2 ATOM 714 H HH21 . ARG A 1 9 ? 6.450 -9.730 1.427 1.00 0.00 ? 9 ARG A HH21 2 ATOM 715 H HH22 . ARG A 1 9 ? 5.929 -9.944 3.075 1.00 0.00 ? 9 ARG A HH22 2 ATOM 716 N N . MET A 1 10 ? 6.351 -4.287 2.892 1.00 0.00 ? 10 MET A N 2 ATOM 717 C CA . MET A 1 10 ? 7.340 -3.333 3.408 1.00 0.00 ? 10 MET A CA 2 ATOM 718 C C . MET A 1 10 ? 8.761 -3.662 2.922 1.00 0.00 ? 10 MET A C 2 ATOM 719 O O . MET A 1 10 ? 9.196 -4.816 2.948 1.00 0.00 ? 10 MET A O 2 ATOM 720 C CB . MET A 1 10 ? 7.284 -3.300 4.948 1.00 0.00 ? 10 MET A CB 2 ATOM 721 C CG . MET A 1 10 ? 8.090 -2.136 5.539 1.00 0.00 ? 10 MET A CG 2 ATOM 722 S SD . MET A 1 10 ? 8.173 -2.095 7.351 1.00 0.00 ? 10 MET A SD 2 ATOM 723 C CE . MET A 1 10 ? 9.374 -3.425 7.642 1.00 0.00 ? 10 MET A CE 2 ATOM 724 H H . MET A 1 10 ? 6.671 -5.208 2.627 1.00 0.00 ? 10 MET A H 2 ATOM 725 H HA . MET A 1 10 ? 7.074 -2.348 3.035 1.00 0.00 ? 10 MET A HA 2 ATOM 726 H HB2 . MET A 1 10 ? 6.249 -3.193 5.273 1.00 0.00 ? 10 MET A HB2 2 ATOM 727 H HB3 . MET A 1 10 ? 7.667 -4.244 5.338 1.00 0.00 ? 10 MET A HB3 2 ATOM 728 H HG2 . MET A 1 10 ? 9.109 -2.158 5.155 1.00 0.00 ? 10 MET A HG2 2 ATOM 729 H HG3 . MET A 1 10 ? 7.628 -1.207 5.209 1.00 0.00 ? 10 MET A HG3 2 ATOM 730 H HE1 . MET A 1 10 ? 8.973 -4.374 7.287 1.00 0.00 ? 10 MET A HE1 2 ATOM 731 H HE2 . MET A 1 10 ? 10.303 -3.206 7.113 1.00 0.00 ? 10 MET A HE2 2 ATOM 732 H HE3 . MET A 1 10 ? 9.580 -3.503 8.709 1.00 0.00 ? 10 MET A HE3 2 ATOM 733 N N . PHE A 1 11 ? 9.481 -2.630 2.480 1.00 0.00 ? 11 PHE A N 2 ATOM 734 C CA . PHE A 1 11 ? 10.891 -2.673 2.085 1.00 0.00 ? 11 PHE A CA 2 ATOM 735 C C . PHE A 1 11 ? 11.889 -2.836 3.245 1.00 0.00 ? 11 PHE A C 2 ATOM 736 O O . PHE A 1 11 ? 11.579 -2.504 4.393 1.00 0.00 ? 11 PHE A O 2 ATOM 737 C CB . PHE A 1 11 ? 11.219 -1.440 1.228 1.00 0.00 ? 11 PHE A CB 2 ATOM 738 C CG . PHE A 1 11 ? 10.556 -1.413 -0.136 1.00 0.00 ? 11 PHE A CG 2 ATOM 739 C CD1 . PHE A 1 11 ? 11.002 -2.262 -1.167 1.00 0.00 ? 11 PHE A CD1 2 ATOM 740 C CD2 . PHE A 1 11 ? 9.494 -0.522 -0.381 1.00 0.00 ? 11 PHE A CD2 2 ATOM 741 C CE1 . PHE A 1 11 ? 10.391 -2.213 -2.435 1.00 0.00 ? 11 PHE A CE1 2 ATOM 742 C CE2 . PHE A 1 11 ? 8.895 -0.463 -1.649 1.00 0.00 ? 11 PHE A CE2 2 ATOM 743 C CZ . PHE A 1 11 ? 9.341 -1.309 -2.678 1.00 0.00 ? 11 PHE A CZ 2 ATOM 744 H H . PHE A 1 11 ? 9.037 -1.718 2.491 1.00 0.00 ? 11 PHE A H 2 ATOM 745 H HA . PHE A 1 11 ? 11.027 -3.549 1.449 1.00 0.00 ? 11 PHE A HA 2 ATOM 746 H HB2 . PHE A 1 11 ? 10.931 -0.548 1.787 1.00 0.00 ? 11 PHE A HB2 2 ATOM 747 H HB3 . PHE A 1 11 ? 12.299 -1.400 1.063 1.00 0.00 ? 11 PHE A HB3 2 ATOM 748 H HD1 . PHE A 1 11 ? 11.816 -2.952 -0.989 1.00 0.00 ? 11 PHE A HD1 2 ATOM 749 H HD2 . PHE A 1 11 ? 9.125 0.118 0.405 1.00 0.00 ? 11 PHE A HD2 2 ATOM 750 H HE1 . PHE A 1 11 ? 10.733 -2.869 -3.225 1.00 0.00 ? 11 PHE A HE1 2 ATOM 751 H HE2 . PHE A 1 11 ? 8.072 0.219 -1.817 1.00 0.00 ? 11 PHE A HE2 2 ATOM 752 H HZ . PHE A 1 11 ? 8.869 -1.274 -3.652 1.00 0.00 ? 11 PHE A HZ 2 ATOM 753 N N . ALA A 1 12 ? 13.118 -3.274 2.952 1.00 0.00 ? 12 ALA A N 2 ATOM 754 C CA . ALA A 1 12 ? 14.189 -3.437 3.947 1.00 0.00 ? 12 ALA A CA 2 ATOM 755 C C . ALA A 1 12 ? 14.606 -2.119 4.645 1.00 0.00 ? 12 ALA A C 2 ATOM 756 O O . ALA A 1 12 ? 15.132 -2.147 5.760 1.00 0.00 ? 12 ALA A O 2 ATOM 757 C CB . ALA A 1 12 ? 15.384 -4.093 3.244 1.00 0.00 ? 12 ALA A CB 2 ATOM 758 H H . ALA A 1 12 ? 13.323 -3.528 1.995 1.00 0.00 ? 12 ALA A H 2 ATOM 759 H HA . ALA A 1 12 ? 13.835 -4.116 4.724 1.00 0.00 ? 12 ALA A HA 2 ATOM 760 H HB1 . ALA A 1 12 ? 15.765 -3.439 2.458 1.00 0.00 ? 12 ALA A HB1 2 ATOM 761 H HB2 . ALA A 1 12 ? 16.179 -4.278 3.969 1.00 0.00 ? 12 ALA A HB2 2 ATOM 762 H HB3 . ALA A 1 12 ? 15.082 -5.046 2.807 1.00 0.00 ? 12 ALA A HB3 2 ATOM 763 N N . ASN A 1 13 ? 14.348 -0.964 4.015 1.00 0.00 ? 13 ASN A N 2 ATOM 764 C CA . ASN A 1 13 ? 14.564 0.375 4.584 1.00 0.00 ? 13 ASN A CA 2 ATOM 765 C C . ASN A 1 13 ? 13.435 0.854 5.536 1.00 0.00 ? 13 ASN A C 2 ATOM 766 O O . ASN A 1 13 ? 13.535 1.949 6.097 1.00 0.00 ? 13 ASN A O 2 ATOM 767 C CB . ASN A 1 13 ? 14.815 1.373 3.429 1.00 0.00 ? 13 ASN A CB 2 ATOM 768 C CG . ASN A 1 13 ? 13.631 1.569 2.491 1.00 0.00 ? 13 ASN A CG 2 ATOM 769 O OD1 . ASN A 1 13 ? 12.501 1.221 2.822 1.00 0.00 ? 13 ASN A OD1 2 ATOM 770 N ND2 . ASN A 1 13 ? 13.867 2.167 1.334 1.00 0.00 ? 13 ASN A ND2 2 ATOM 771 H H . ASN A 1 13 ? 13.925 -1.023 3.101 1.00 0.00 ? 13 ASN A H 2 ATOM 772 H HA . ASN A 1 13 ? 15.473 0.344 5.188 1.00 0.00 ? 13 ASN A HA 2 ATOM 773 H HB2 . ASN A 1 13 ? 15.076 2.347 3.848 1.00 0.00 ? 13 ASN A HB2 2 ATOM 774 H HB3 . ASN A 1 13 ? 15.664 1.015 2.841 1.00 0.00 ? 13 ASN A HB3 2 ATOM 775 H HD21 . ASN A 1 13 ? 14.810 2.457 1.123 1.00 0.00 ? 13 ASN A HD21 2 ATOM 776 N N . GLY A 1 14 ? 12.361 0.072 5.712 1.00 0.00 ? 14 GLY A N 2 ATOM 777 C CA . GLY A 1 14 ? 11.203 0.413 6.551 1.00 0.00 ? 14 GLY A CA 2 ATOM 778 C C . GLY A 1 14 ? 10.074 1.185 5.847 1.00 0.00 ? 14 GLY A C 2 ATOM 779 O O . GLY A 1 14 ? 9.244 1.796 6.523 1.00 0.00 ? 14 GLY A O 2 ATOM 780 H H . GLY A 1 14 ? 12.335 -0.817 5.224 1.00 0.00 ? 14 GLY A H 2 ATOM 781 H HA2 . GLY A 1 14 ? 10.774 -0.519 6.924 1.00 0.00 ? 14 GLY A HA2 2 ATOM 782 H HA3 . GLY A 1 14 ? 11.535 1.007 7.406 1.00 0.00 ? 14 GLY A HA3 2 ATOM 783 N N . THR A 1 15 ? 10.011 1.165 4.509 1.00 0.00 ? 15 THR A N 2 ATOM 784 C CA . THR A 1 15 ? 8.977 1.850 3.710 1.00 0.00 ? 15 THR A CA 2 ATOM 785 C C . THR A 1 15 ? 7.834 0.891 3.379 1.00 0.00 ? 15 THR A C 2 ATOM 786 O O . THR A 1 15 ? 8.071 -0.178 2.820 1.00 0.00 ? 15 THR A O 2 ATOM 787 C CB . THR A 1 15 ? 9.580 2.372 2.396 1.00 0.00 ? 15 THR A CB 2 ATOM 788 O OG1 . THR A 1 15 ? 10.635 3.266 2.659 1.00 0.00 ? 15 THR A OG1 2 ATOM 789 C CG2 . THR A 1 15 ? 8.574 3.074 1.491 1.00 0.00 ? 15 THR A CG2 2 ATOM 790 H H . THR A 1 15 ? 10.741 0.680 4.004 1.00 0.00 ? 15 THR A H 2 ATOM 791 H HA . THR A 1 15 ? 8.579 2.703 4.261 1.00 0.00 ? 15 THR A HA 2 ATOM 792 H HB . THR A 1 15 ? 9.995 1.532 1.843 1.00 0.00 ? 15 THR A HB 2 ATOM 793 H HG1 . THR A 1 15 ? 11.333 2.712 3.049 1.00 0.00 ? 15 THR A HG1 2 ATOM 794 H HG21 . THR A 1 15 ? 7.888 2.337 1.069 1.00 0.00 ? 15 THR A HG21 2 ATOM 795 H HG22 . THR A 1 15 ? 8.017 3.817 2.062 1.00 0.00 ? 15 THR A HG22 2 ATOM 796 H HG23 . THR A 1 15 ? 9.099 3.562 0.672 1.00 0.00 ? 15 THR A HG23 2 ATOM 797 N N . VAL A 1 16 ? 6.590 1.274 3.679 1.00 0.00 ? 16 VAL A N 2 ATOM 798 C CA . VAL A 1 16 ? 5.390 0.432 3.496 1.00 0.00 ? 16 VAL A CA 2 ATOM 799 C C . VAL A 1 16 ? 4.752 0.752 2.139 1.00 0.00 ? 16 VAL A C 2 ATOM 800 O O . VAL A 1 16 ? 4.726 1.907 1.704 1.00 0.00 ? 16 VAL A O 2 ATOM 801 C CB . VAL A 1 16 ? 4.386 0.685 4.643 1.00 0.00 ? 16 VAL A CB 2 ATOM 802 C CG1 . VAL A 1 16 ? 2.986 0.099 4.410 1.00 0.00 ? 16 VAL A CG1 2 ATOM 803 C CG2 . VAL A 1 16 ? 4.911 0.081 5.952 1.00 0.00 ? 16 VAL A CG2 2 ATOM 804 H H . VAL A 1 16 ? 6.462 2.186 4.096 1.00 0.00 ? 16 VAL A H 2 ATOM 805 H HA . VAL A 1 16 ? 5.667 -0.621 3.508 1.00 0.00 ? 16 VAL A HA 2 ATOM 806 H HB . VAL A 1 16 ? 4.274 1.761 4.780 1.00 0.00 ? 16 VAL A HB 2 ATOM 807 H HG11 . VAL A 1 16 ? 2.506 0.580 3.559 1.00 0.00 ? 16 VAL A HG11 2 ATOM 808 H HG12 . VAL A 1 16 ? 3.050 -0.976 4.234 1.00 0.00 ? 16 VAL A HG12 2 ATOM 809 H HG13 . VAL A 1 16 ? 2.366 0.285 5.287 1.00 0.00 ? 16 VAL A HG13 2 ATOM 810 H HG21 . VAL A 1 16 ? 5.882 0.506 6.203 1.00 0.00 ? 16 VAL A HG21 2 ATOM 811 H HG22 . VAL A 1 16 ? 4.215 0.300 6.763 1.00 0.00 ? 16 VAL A HG22 2 ATOM 812 H HG23 . VAL A 1 16 ? 5.004 -1.001 5.851 1.00 0.00 ? 16 VAL A HG23 2 ATOM 813 N N . TYR A 1 17 ? 4.221 -0.279 1.478 1.00 0.00 ? 17 TYR A N 2 ATOM 814 C CA . TYR A 1 17 ? 3.510 -0.176 0.198 1.00 0.00 ? 17 TYR A CA 2 ATOM 815 C C . TYR A 1 17 ? 2.445 -1.288 0.102 1.00 0.00 ? 17 TYR A C 2 ATOM 816 O O . TYR A 1 17 ? 2.282 -2.109 1.010 1.00 0.00 ? 17 TYR A O 2 ATOM 817 C CB . TYR A 1 17 ? 4.536 -0.259 -0.953 1.00 0.00 ? 17 TYR A CB 2 ATOM 818 C CG . TYR A 1 17 ? 5.244 -1.592 -1.153 1.00 0.00 ? 17 TYR A CG 2 ATOM 819 C CD1 . TYR A 1 17 ? 6.334 -1.945 -0.331 1.00 0.00 ? 17 TYR A CD1 2 ATOM 820 C CD2 . TYR A 1 17 ? 4.861 -2.445 -2.211 1.00 0.00 ? 17 TYR A CD2 2 ATOM 821 C CE1 . TYR A 1 17 ? 7.053 -3.132 -0.576 1.00 0.00 ? 17 TYR A CE1 2 ATOM 822 C CE2 . TYR A 1 17 ? 5.568 -3.639 -2.449 1.00 0.00 ? 17 TYR A CE2 2 ATOM 823 C CZ . TYR A 1 17 ? 6.675 -3.978 -1.641 1.00 0.00 ? 17 TYR A CZ 2 ATOM 824 O OH . TYR A 1 17 ? 7.363 -5.126 -1.884 1.00 0.00 ? 17 TYR A OH 2 ATOM 825 H H . TYR A 1 17 ? 4.245 -1.193 1.919 1.00 0.00 ? 17 TYR A H 2 ATOM 826 H HA . TYR A 1 17 ? 2.996 0.785 0.137 1.00 0.00 ? 17 TYR A HA 2 ATOM 827 H HB2 . TYR A 1 17 ? 4.035 0.004 -1.882 1.00 0.00 ? 17 TYR A HB2 2 ATOM 828 H HB3 . TYR A 1 17 ? 5.297 0.508 -0.796 1.00 0.00 ? 17 TYR A HB3 2 ATOM 829 H HD1 . TYR A 1 17 ? 6.646 -1.284 0.467 1.00 0.00 ? 17 TYR A HD1 2 ATOM 830 H HD2 . TYR A 1 17 ? 4.035 -2.178 -2.861 1.00 0.00 ? 17 TYR A HD2 2 ATOM 831 H HE1 . TYR A 1 17 ? 7.906 -3.383 0.037 1.00 0.00 ? 17 TYR A HE1 2 ATOM 832 H HE2 . TYR A 1 17 ? 5.276 -4.297 -3.256 1.00 0.00 ? 17 TYR A HE2 2 ATOM 833 H HH . TYR A 1 17 ? 8.147 -5.195 -1.327 1.00 0.00 ? 17 TYR A HH 2 ATOM 834 N N . TYR A 1 18 ? 1.715 -1.317 -1.012 1.00 0.00 ? 18 TYR A N 2 ATOM 835 C CA . TYR A 1 18 ? 0.633 -2.257 -1.307 1.00 0.00 ? 18 TYR A CA 2 ATOM 836 C C . TYR A 1 18 ? 0.952 -3.065 -2.574 1.00 0.00 ? 18 TYR A C 2 ATOM 837 O O . TYR A 1 18 ? 1.475 -2.517 -3.549 1.00 0.00 ? 18 TYR A O 2 ATOM 838 C CB . TYR A 1 18 ? -0.692 -1.486 -1.440 1.00 0.00 ? 18 TYR A CB 2 ATOM 839 C CG . TYR A 1 18 ? -1.096 -0.709 -0.195 1.00 0.00 ? 18 TYR A CG 2 ATOM 840 C CD1 . TYR A 1 18 ? -0.692 0.633 -0.031 1.00 0.00 ? 18 TYR A CD1 2 ATOM 841 C CD2 . TYR A 1 18 ? -1.874 -1.327 0.804 1.00 0.00 ? 18 TYR A CD2 2 ATOM 842 C CE1 . TYR A 1 18 ? -1.024 1.341 1.140 1.00 0.00 ? 18 TYR A CE1 2 ATOM 843 C CE2 . TYR A 1 18 ? -2.236 -0.611 1.962 1.00 0.00 ? 18 TYR A CE2 2 ATOM 844 C CZ . TYR A 1 18 ? -1.800 0.718 2.141 1.00 0.00 ? 18 TYR A CZ 2 ATOM 845 O OH . TYR A 1 18 ? -2.138 1.392 3.273 1.00 0.00 ? 18 TYR A OH 2 ATOM 846 H H . TYR A 1 18 ? 1.895 -0.605 -1.712 1.00 0.00 ? 18 TYR A H 2 ATOM 847 H HA . TYR A 1 18 ? 0.525 -2.962 -0.482 1.00 0.00 ? 18 TYR A HA 2 ATOM 848 H HB2 . TYR A 1 18 ? -0.613 -0.789 -2.279 1.00 0.00 ? 18 TYR A HB2 2 ATOM 849 H HB3 . TYR A 1 18 ? -1.485 -2.202 -1.670 1.00 0.00 ? 18 TYR A HB3 2 ATOM 850 H HD1 . TYR A 1 18 ? -0.122 1.126 -0.806 1.00 0.00 ? 18 TYR A HD1 2 ATOM 851 H HD2 . TYR A 1 18 ? -2.196 -2.352 0.682 1.00 0.00 ? 18 TYR A HD2 2 ATOM 852 H HE1 . TYR A 1 18 ? -0.698 2.364 1.265 1.00 0.00 ? 18 TYR A HE1 2 ATOM 853 H HE2 . TYR A 1 18 ? -2.833 -1.078 2.731 1.00 0.00 ? 18 TYR A HE2 2 ATOM 854 H HH . TYR A 1 18 ? -1.755 2.277 3.289 1.00 0.00 ? 18 TYR A HH 2 ATOM 855 N N . PHE A 1 19 ? 0.629 -4.360 -2.577 1.00 0.00 ? 19 PHE A N 2 ATOM 856 C CA . PHE A 1 19 ? 0.895 -5.282 -3.688 1.00 0.00 ? 19 PHE A CA 2 ATOM 857 C C . PHE A 1 19 ? -0.282 -6.212 -3.994 1.00 0.00 ? 19 PHE A C 2 ATOM 858 O O . PHE A 1 19 ? -0.870 -6.778 -3.071 1.00 0.00 ? 19 PHE A O 2 ATOM 859 C CB . PHE A 1 19 ? 2.175 -6.076 -3.407 1.00 0.00 ? 19 PHE A CB 2 ATOM 860 C CG . PHE A 1 19 ? 2.493 -7.101 -4.472 1.00 0.00 ? 19 PHE A CG 2 ATOM 861 C CD1 . PHE A 1 19 ? 2.979 -6.640 -5.705 1.00 0.00 ? 19 PHE A CD1 2 ATOM 862 C CD2 . PHE A 1 19 ? 2.278 -8.480 -4.273 1.00 0.00 ? 19 PHE A CD2 2 ATOM 863 C CE1 . PHE A 1 19 ? 3.245 -7.539 -6.744 1.00 0.00 ? 19 PHE A CE1 2 ATOM 864 C CE2 . PHE A 1 19 ? 2.572 -9.387 -5.309 1.00 0.00 ? 19 PHE A CE2 2 ATOM 865 C CZ . PHE A 1 19 ? 3.053 -8.918 -6.546 1.00 0.00 ? 19 PHE A CZ 2 ATOM 866 H H . PHE A 1 19 ? 0.229 -4.758 -1.732 1.00 0.00 ? 19 PHE A H 2 ATOM 867 H HA . PHE A 1 19 ? 1.082 -4.712 -4.600 1.00 0.00 ? 19 PHE A HA 2 ATOM 868 H HB2 . PHE A 1 19 ? 3.014 -5.383 -3.322 1.00 0.00 ? 19 PHE A HB2 2 ATOM 869 H HB3 . PHE A 1 19 ? 2.051 -6.599 -2.458 1.00 0.00 ? 19 PHE A HB3 2 ATOM 870 H HD1 . PHE A 1 19 ? 3.125 -5.584 -5.863 1.00 0.00 ? 19 PHE A HD1 2 ATOM 871 H HD2 . PHE A 1 19 ? 1.883 -8.848 -3.336 1.00 0.00 ? 19 PHE A HD2 2 ATOM 872 H HE1 . PHE A 1 19 ? 3.585 -7.147 -7.690 1.00 0.00 ? 19 PHE A HE1 2 ATOM 873 H HE2 . PHE A 1 19 ? 2.418 -10.446 -5.156 1.00 0.00 ? 19 PHE A HE2 2 ATOM 874 H HZ . PHE A 1 19 ? 3.265 -9.617 -7.345 1.00 0.00 ? 19 PHE A HZ 2 ATOM 875 N N . ASN A 1 20 ? -0.623 -6.388 -5.271 1.00 0.00 ? 20 ASN A N 2 ATOM 876 C CA . ASN A 1 20 ? -1.679 -7.295 -5.710 1.00 0.00 ? 20 ASN A CA 2 ATOM 877 C C . ASN A 1 20 ? -1.089 -8.647 -6.146 1.00 0.00 ? 20 ASN A C 2 ATOM 878 O O . ASN A 1 20 ? -0.379 -8.731 -7.150 1.00 0.00 ? 20 ASN A O 2 ATOM 879 C CB . ASN A 1 20 ? -2.485 -6.621 -6.827 1.00 0.00 ? 20 ASN A CB 2 ATOM 880 C CG . ASN A 1 20 ? -3.794 -7.354 -7.051 1.00 0.00 ? 20 ASN A CG 2 ATOM 881 O OD1 . ASN A 1 20 ? -3.827 -8.556 -7.268 1.00 0.00 ? 20 ASN A OD1 2 ATOM 882 N ND2 . ASN A 1 20 ? -4.907 -6.665 -7.003 1.00 0.00 ? 20 ASN A ND2 2 ATOM 883 H H . ASN A 1 20 ? -0.089 -5.905 -5.985 1.00 0.00 ? 20 ASN A H 2 ATOM 884 H HA . ASN A 1 20 ? -2.357 -7.469 -4.880 1.00 0.00 ? 20 ASN A HA 2 ATOM 885 H HB2 . ASN A 1 20 ? -2.699 -5.592 -6.543 1.00 0.00 ? 20 ASN A HB2 2 ATOM 886 H HB3 . ASN A 1 20 ? -1.912 -6.617 -7.753 1.00 0.00 ? 20 ASN A HB3 2 ATOM 887 H HD21 . ASN A 1 20 ? -4.879 -5.687 -6.756 1.00 0.00 ? 20 ASN A HD21 2 ATOM 888 H HD22 . ASN A 1 20 ? -5.790 -7.160 -7.025 1.00 0.00 ? 20 ASN A HD22 2 ATOM 889 N N . HIS A 1 21 ? -1.410 -9.723 -5.421 1.00 0.00 ? 21 HIS A N 2 ATOM 890 C CA . HIS A 1 21 ? -0.877 -11.066 -5.698 1.00 0.00 ? 21 HIS A CA 2 ATOM 891 C C . HIS A 1 21 ? -1.489 -11.718 -6.955 1.00 0.00 ? 21 HIS A C 2 ATOM 892 O O . HIS A 1 21 ? -0.864 -12.589 -7.565 1.00 0.00 ? 21 HIS A O 2 ATOM 893 C CB . HIS A 1 21 ? -1.039 -11.944 -4.443 1.00 0.00 ? 21 HIS A CB 2 ATOM 894 C CG . HIS A 1 21 ? -2.338 -12.717 -4.346 1.00 0.00 ? 21 HIS A CG 2 ATOM 895 N ND1 . HIS A 1 21 ? -2.584 -13.960 -4.940 1.00 0.00 ? 21 HIS A ND1 2 ATOM 896 C CD2 . HIS A 1 21 ? -3.419 -12.379 -3.586 1.00 0.00 ? 21 HIS A CD2 2 ATOM 897 C CE1 . HIS A 1 21 ? -3.814 -14.328 -4.541 1.00 0.00 ? 21 HIS A CE1 2 ATOM 898 N NE2 . HIS A 1 21 ? -4.339 -13.395 -3.729 1.00 0.00 ? 21 HIS A NE2 2 ATOM 899 H H . HIS A 1 21 ? -2.036 -9.600 -4.631 1.00 0.00 ? 21 HIS A H 2 ATOM 900 H HA . HIS A 1 21 ? 0.191 -10.967 -5.894 1.00 0.00 ? 21 HIS A HA 2 ATOM 901 H HB2 . HIS A 1 21 ? -0.221 -12.669 -4.445 1.00 0.00 ? 21 HIS A HB2 2 ATOM 902 H HB3 . HIS A 1 21 ? -0.923 -11.326 -3.547 1.00 0.00 ? 21 HIS A HB3 2 ATOM 903 H HD2 . HIS A 1 21 ? -3.524 -11.491 -2.979 1.00 0.00 ? 21 HIS A HD2 2 ATOM 904 H HE1 . HIS A 1 21 ? -4.311 -15.250 -4.825 1.00 0.00 ? 21 HIS A HE1 2 ATOM 905 H HE2 . HIS A 1 21 ? -5.250 -13.455 -3.283 1.00 0.00 ? 21 HIS A HE2 2 ATOM 906 N N . ILE A 1 22 ? -2.688 -11.285 -7.364 1.00 0.00 ? 22 ILE A N 2 ATOM 907 C CA . ILE A 1 22 ? -3.443 -11.815 -8.509 1.00 0.00 ? 22 ILE A CA 2 ATOM 908 C C . ILE A 1 22 ? -2.964 -11.186 -9.828 1.00 0.00 ? 22 ILE A C 2 ATOM 909 O O . ILE A 1 22 ? -2.828 -11.876 -10.842 1.00 0.00 ? 22 ILE A O 2 ATOM 910 C CB . ILE A 1 22 ? -4.958 -11.554 -8.290 1.00 0.00 ? 22 ILE A CB 2 ATOM 911 C CG1 . ILE A 1 22 ? -5.418 -12.117 -6.921 1.00 0.00 ? 22 ILE A CG1 2 ATOM 912 C CG2 . ILE A 1 22 ? -5.780 -12.161 -9.440 1.00 0.00 ? 22 ILE A CG2 2 ATOM 913 C CD1 . ILE A 1 22 ? -6.916 -11.978 -6.621 1.00 0.00 ? 22 ILE A CD1 2 ATOM 914 H H . ILE A 1 22 ? -3.120 -10.530 -6.846 1.00 0.00 ? 22 ILE A H 2 ATOM 915 H HA . ILE A 1 22 ? -3.285 -12.893 -8.572 1.00 0.00 ? 22 ILE A HA 2 ATOM 916 H HB . ILE A 1 22 ? -5.129 -10.472 -8.296 1.00 0.00 ? 22 ILE A HB 2 ATOM 917 H HG12 . ILE A 1 22 ? -5.151 -13.174 -6.856 1.00 0.00 ? 22 ILE A HG12 2 ATOM 918 H HG13 . ILE A 1 22 ? -4.890 -11.586 -6.128 1.00 0.00 ? 22 ILE A HG13 2 ATOM 919 H HG21 . ILE A 1 22 ? -6.836 -11.924 -9.317 1.00 0.00 ? 22 ILE A HG21 2 ATOM 920 H HG22 . ILE A 1 22 ? -5.470 -11.742 -10.396 1.00 0.00 ? 22 ILE A HG22 2 ATOM 921 H HG23 . ILE A 1 22 ? -5.649 -13.243 -9.459 1.00 0.00 ? 22 ILE A HG23 2 ATOM 922 H HD11 . ILE A 1 22 ? -7.238 -10.951 -6.793 1.00 0.00 ? 22 ILE A HD11 2 ATOM 923 H HD12 . ILE A 1 22 ? -7.495 -12.655 -7.249 1.00 0.00 ? 22 ILE A HD12 2 ATOM 924 H HD13 . ILE A 1 22 ? -7.095 -12.238 -5.577 1.00 0.00 ? 22 ILE A HD13 2 ATOM 925 N N . THR A 1 23 ? -2.682 -9.880 -9.806 1.00 0.00 ? 23 THR A N 2 ATOM 926 C CA . THR A 1 23 ? -2.374 -9.046 -10.986 1.00 0.00 ? 23 THR A CA 2 ATOM 927 C C . THR A 1 23 ? -0.922 -8.574 -11.116 1.00 0.00 ? 23 THR A C 2 ATOM 928 O O . THR A 1 23 ? -0.544 -8.018 -12.150 1.00 0.00 ? 23 THR A O 2 ATOM 929 C CB . THR A 1 23 ? -3.349 -7.862 -11.097 1.00 0.00 ? 23 THR A CB 2 ATOM 930 O OG1 . THR A 1 23 ? -2.969 -6.855 -10.189 1.00 0.00 ? 23 THR A OG1 2 ATOM 931 C CG2 . THR A 1 23 ? -4.807 -8.195 -10.783 1.00 0.00 ? 23 THR A CG2 2 ATOM 932 H H . THR A 1 23 ? -2.847 -9.394 -8.931 1.00 0.00 ? 23 THR A H 2 ATOM 933 H HA . THR A 1 23 ? -2.553 -9.652 -11.873 1.00 0.00 ? 23 THR A HA 2 ATOM 934 H HB . THR A 1 23 ? -3.295 -7.458 -12.108 1.00 0.00 ? 23 THR A HB 2 ATOM 935 H HG1 . THR A 1 23 ? -3.791 -6.432 -9.911 1.00 0.00 ? 23 THR A HG1 2 ATOM 936 H HG21 . THR A 1 23 ? -5.123 -9.046 -11.387 1.00 0.00 ? 23 THR A HG21 2 ATOM 937 H HG22 . THR A 1 23 ? -4.930 -8.434 -9.728 1.00 0.00 ? 23 THR A HG22 2 ATOM 938 H HG23 . THR A 1 23 ? -5.434 -7.338 -11.028 1.00 0.00 ? 23 THR A HG23 2 ATOM 939 N N . ASN A 1 24 ? -0.105 -8.795 -10.081 1.00 0.00 ? 24 ASN A N 2 ATOM 940 C CA . ASN A 1 24 ? 1.265 -8.289 -9.923 1.00 0.00 ? 24 ASN A CA 2 ATOM 941 C C . ASN A 1 24 ? 1.397 -6.746 -9.915 1.00 0.00 ? 24 ASN A C 2 ATOM 942 O O . ASN A 1 24 ? 2.511 -6.220 -10.018 1.00 0.00 ? 24 ASN A O 2 ATOM 943 C CB . ASN A 1 24 ? 2.232 -9.005 -10.890 1.00 0.00 ? 24 ASN A CB 2 ATOM 944 C CG . ASN A 1 24 ? 2.243 -10.513 -10.700 1.00 0.00 ? 24 ASN A CG 2 ATOM 945 O OD1 . ASN A 1 24 ? 2.560 -11.031 -9.637 1.00 0.00 ? 24 ASN A OD1 2 ATOM 946 N ND2 . ASN A 1 24 ? 1.945 -11.273 -11.731 1.00 0.00 ? 24 ASN A ND2 2 ATOM 947 H H . ASN A 1 24 ? -0.508 -9.241 -9.267 1.00 0.00 ? 24 ASN A H 2 ATOM 948 H HA . ASN A 1 24 ? 1.569 -8.580 -8.917 1.00 0.00 ? 24 ASN A HA 2 ATOM 949 H HB2 . ASN A 1 24 ? 1.967 -8.762 -11.920 1.00 0.00 ? 24 ASN A HB2 2 ATOM 950 H HB3 . ASN A 1 24 ? 3.249 -8.653 -10.706 1.00 0.00 ? 24 ASN A HB3 2 ATOM 951 H HD21 . ASN A 1 24 ? 1.697 -10.851 -12.616 1.00 0.00 ? 24 ASN A HD21 2 ATOM 952 H HD22 . ASN A 1 24 ? 1.967 -12.277 -11.609 1.00 0.00 ? 24 ASN A HD22 2 ATOM 953 N N . ALA A 1 25 ? 0.290 -6.004 -9.779 1.00 0.00 ? 25 ALA A N 2 ATOM 954 C CA . ALA A 1 25 ? 0.310 -4.551 -9.591 1.00 0.00 ? 25 ALA A CA 2 ATOM 955 C C . ALA A 1 25 ? 0.904 -4.148 -8.222 1.00 0.00 ? 25 ALA A C 2 ATOM 956 O O . ALA A 1 25 ? 0.815 -4.897 -7.247 1.00 0.00 ? 25 ALA A O 2 ATOM 957 C CB . ALA A 1 25 ? -1.114 -4.011 -9.772 1.00 0.00 ? 25 ALA A CB 2 ATOM 958 H H . ALA A 1 25 ? -0.606 -6.474 -9.729 1.00 0.00 ? 25 ALA A H 2 ATOM 959 H HA . ALA A 1 25 ? 0.937 -4.111 -10.369 1.00 0.00 ? 25 ALA A HA 2 ATOM 960 H HB1 . ALA A 1 25 ? -1.767 -4.410 -8.994 1.00 0.00 ? 25 ALA A HB1 2 ATOM 961 H HB2 . ALA A 1 25 ? -1.107 -2.923 -9.707 1.00 0.00 ? 25 ALA A HB2 2 ATOM 962 H HB3 . ALA A 1 25 ? -1.499 -4.302 -10.750 1.00 0.00 ? 25 ALA A HB3 2 ATOM 963 N N . SER A 1 26 ? 1.474 -2.942 -8.130 1.00 0.00 ? 26 SER A N 2 ATOM 964 C CA . SER A 1 26 ? 1.988 -2.352 -6.881 1.00 0.00 ? 26 SER A CA 2 ATOM 965 C C . SER A 1 26 ? 1.669 -0.855 -6.773 1.00 0.00 ? 26 SER A C 2 ATOM 966 O O . SER A 1 26 ? 1.582 -0.156 -7.788 1.00 0.00 ? 26 SER A O 2 ATOM 967 C CB . SER A 1 26 ? 3.496 -2.589 -6.708 1.00 0.00 ? 26 SER A CB 2 ATOM 968 O OG . SER A 1 26 ? 4.246 -2.070 -7.795 1.00 0.00 ? 26 SER A OG 2 ATOM 969 H H . SER A 1 26 ? 1.490 -2.358 -8.955 1.00 0.00 ? 26 SER A H 2 ATOM 970 H HA . SER A 1 26 ? 1.504 -2.855 -6.047 1.00 0.00 ? 26 SER A HA 2 ATOM 971 H HB2 . SER A 1 26 ? 3.825 -2.106 -5.786 1.00 0.00 ? 26 SER A HB2 2 ATOM 972 H HB3 . SER A 1 26 ? 3.691 -3.655 -6.609 1.00 0.00 ? 26 SER A HB3 2 ATOM 973 H HG . SER A 1 26 ? 4.098 -2.647 -8.559 1.00 0.00 ? 26 SER A HG 2 ATOM 974 N N . GLN A 1 27 ? 1.503 -0.356 -5.544 1.00 0.00 ? 27 GLN A N 2 ATOM 975 C CA . GLN A 1 27 ? 1.244 1.057 -5.239 1.00 0.00 ? 27 GLN A CA 2 ATOM 976 C C . GLN A 1 27 ? 1.859 1.512 -3.910 1.00 0.00 ? 27 GLN A C 2 ATOM 977 O O . GLN A 1 27 ? 1.778 0.809 -2.903 1.00 0.00 ? 27 GLN A O 2 ATOM 978 C CB . GLN A 1 27 ? -0.268 1.342 -5.157 1.00 0.00 ? 27 GLN A CB 2 ATOM 979 C CG . GLN A 1 27 ? -0.992 1.385 -6.507 1.00 0.00 ? 27 GLN A CG 2 ATOM 980 C CD . GLN A 1 27 ? -2.470 1.789 -6.426 1.00 0.00 ? 27 GLN A CD 2 ATOM 981 O OE1 . GLN A 1 27 ? -3.202 1.704 -7.405 1.00 0.00 ? 27 GLN A OE1 2 ATOM 982 N NE2 . GLN A 1 27 ? -2.971 2.314 -5.324 1.00 0.00 ? 27 GLN A NE2 2 ATOM 983 H H . GLN A 1 27 ? 1.571 -0.996 -4.757 1.00 0.00 ? 27 GLN A H 2 ATOM 984 H HA . GLN A 1 27 ? 1.672 1.678 -6.028 1.00 0.00 ? 27 GLN A HA 2 ATOM 985 H HB2 . GLN A 1 27 ? -0.746 0.606 -4.507 1.00 0.00 ? 27 GLN A HB2 2 ATOM 986 H HB3 . GLN A 1 27 ? -0.382 2.327 -4.707 1.00 0.00 ? 27 GLN A HB3 2 ATOM 987 H HG2 . GLN A 1 27 ? -0.481 2.116 -7.134 1.00 0.00 ? 27 GLN A HG2 2 ATOM 988 H HG3 . GLN A 1 27 ? -0.933 0.405 -6.976 1.00 0.00 ? 27 GLN A HG3 2 ATOM 989 H HE21 . GLN A 1 27 ? -2.410 2.390 -4.477 1.00 0.00 ? 27 GLN A HE21 2 ATOM 990 H HE22 . GLN A 1 27 ? -3.928 2.630 -5.348 1.00 0.00 ? 27 GLN A HE22 2 ATOM 991 N N . PHE A 1 28 ? 2.413 2.727 -3.889 1.00 0.00 ? 28 PHE A N 2 ATOM 992 C CA . PHE A 1 28 ? 2.836 3.397 -2.652 1.00 0.00 ? 28 PHE A CA 2 ATOM 993 C C . PHE A 1 28 ? 1.685 4.000 -1.822 1.00 0.00 ? 28 PHE A C 2 ATOM 994 O O . PHE A 1 28 ? 1.834 4.276 -0.630 1.00 0.00 ? 28 PHE A O 2 ATOM 995 C CB . PHE A 1 28 ? 3.975 4.391 -2.923 1.00 0.00 ? 28 PHE A CB 2 ATOM 996 C CG . PHE A 1 28 ? 5.329 3.740 -3.146 1.00 0.00 ? 28 PHE A CG 2 ATOM 997 C CD1 . PHE A 1 28 ? 5.754 3.418 -4.450 1.00 0.00 ? 28 PHE A CD1 2 ATOM 998 C CD2 . PHE A 1 28 ? 6.172 3.465 -2.051 1.00 0.00 ? 28 PHE A CD2 2 ATOM 999 C CE1 . PHE A 1 28 ? 7.014 2.828 -4.659 1.00 0.00 ? 28 PHE A CE1 2 ATOM 1000 C CE2 . PHE A 1 28 ? 7.436 2.884 -2.262 1.00 0.00 ? 28 PHE A CE2 2 ATOM 1001 C CZ . PHE A 1 28 ? 7.857 2.564 -3.565 1.00 0.00 ? 28 PHE A CZ 2 ATOM 1002 H H . PHE A 1 28 ? 2.478 3.245 -4.754 1.00 0.00 ? 28 PHE A H 2 ATOM 1003 H HA . PHE A 1 28 ? 3.263 2.634 -2.000 1.00 0.00 ? 28 PHE A HA 2 ATOM 1004 H HB2 . PHE A 1 28 ? 3.717 5.008 -3.788 1.00 0.00 ? 28 PHE A HB2 2 ATOM 1005 H HB3 . PHE A 1 28 ? 4.070 5.053 -2.058 1.00 0.00 ? 28 PHE A HB3 2 ATOM 1006 H HD1 . PHE A 1 28 ? 5.112 3.625 -5.296 1.00 0.00 ? 28 PHE A HD1 2 ATOM 1007 H HD2 . PHE A 1 28 ? 5.852 3.705 -1.046 1.00 0.00 ? 28 PHE A HD2 2 ATOM 1008 H HE1 . PHE A 1 28 ? 7.337 2.582 -5.662 1.00 0.00 ? 28 PHE A HE1 2 ATOM 1009 H HE2 . PHE A 1 28 ? 8.084 2.681 -1.422 1.00 0.00 ? 28 PHE A HE2 2 ATOM 1010 H HZ . PHE A 1 28 ? 8.828 2.113 -3.726 1.00 0.00 ? 28 PHE A HZ 2 ATOM 1011 N N . GLU A 1 29 ? 0.526 4.188 -2.465 1.00 0.00 ? 29 GLU A N 2 ATOM 1012 C CA . GLU A 1 29 ? -0.728 4.690 -1.888 1.00 0.00 ? 29 GLU A CA 2 ATOM 1013 C C . GLU A 1 29 ? -1.808 3.595 -1.802 1.00 0.00 ? 29 GLU A C 2 ATOM 1014 O O . GLU A 1 29 ? -1.865 2.689 -2.640 1.00 0.00 ? 29 GLU A O 2 ATOM 1015 C CB . GLU A 1 29 ? -1.181 5.930 -2.690 1.00 0.00 ? 29 GLU A CB 2 ATOM 1016 C CG . GLU A 1 29 ? -2.609 6.473 -2.473 1.00 0.00 ? 29 GLU A CG 2 ATOM 1017 C CD . GLU A 1 29 ? -2.951 6.937 -1.039 1.00 0.00 ? 29 GLU A CD 2 ATOM 1018 O OE1 . GLU A 1 29 ? -3.938 7.696 -0.879 1.00 0.00 ? 29 GLU A OE1 2 ATOM 1019 O OE2 . GLU A 1 29 ? -2.272 6.539 -0.063 1.00 0.00 ? 29 GLU A OE2 2 ATOM 1020 H H . GLU A 1 29 ? 0.491 3.903 -3.435 1.00 0.00 ? 29 GLU A H 2 ATOM 1021 H HA . GLU A 1 29 ? -0.530 5.015 -0.866 1.00 0.00 ? 29 GLU A HA 2 ATOM 1022 H HB2 . GLU A 1 29 ? -0.475 6.738 -2.494 1.00 0.00 ? 29 GLU A HB2 2 ATOM 1023 H HB3 . GLU A 1 29 ? -1.101 5.687 -3.751 1.00 0.00 ? 29 GLU A HB3 2 ATOM 1024 H HG2 . GLU A 1 29 ? -2.742 7.316 -3.155 1.00 0.00 ? 29 GLU A HG2 2 ATOM 1025 H HG3 . GLU A 1 29 ? -3.323 5.705 -2.778 1.00 0.00 ? 29 GLU A HG3 2 ATOM 1026 N N . ARG A 1 30 ? -2.687 3.700 -0.799 1.00 0.00 ? 30 ARG A N 2 ATOM 1027 C CA . ARG A 1 30 ? -3.772 2.755 -0.488 1.00 0.00 ? 30 ARG A CA 2 ATOM 1028 C C . ARG A 1 30 ? -4.708 2.507 -1.696 1.00 0.00 ? 30 ARG A C 2 ATOM 1029 O O . ARG A 1 30 ? -5.331 3.462 -2.174 1.00 0.00 ? 30 ARG A O 2 ATOM 1030 C CB . ARG A 1 30 ? -4.499 3.297 0.763 1.00 0.00 ? 30 ARG A CB 2 ATOM 1031 C CG . ARG A 1 30 ? -5.907 2.751 1.046 1.00 0.00 ? 30 ARG A CG 2 ATOM 1032 C CD . ARG A 1 30 ? -5.941 1.252 1.358 1.00 0.00 ? 30 ARG A CD 2 ATOM 1033 N NE . ARG A 1 30 ? -7.205 0.663 0.881 1.00 0.00 ? 30 ARG A NE 2 ATOM 1034 C CZ . ARG A 1 30 ? -8.073 -0.071 1.549 1.00 0.00 ? 30 ARG A CZ 2 ATOM 1035 N NH1 . ARG A 1 30 ? -7.916 -0.400 2.798 1.00 0.00 ? 30 ARG A NH1 2 ATOM 1036 N NH2 . ARG A 1 30 ? -9.133 -0.526 0.950 1.00 0.00 ? 30 ARG A NH2 2 ATOM 1037 H H . ARG A 1 30 ? -2.590 4.516 -0.200 1.00 0.00 ? 30 ARG A H 2 ATOM 1038 H HA . ARG A 1 30 ? -3.314 1.810 -0.208 1.00 0.00 ? 30 ARG A HA 2 ATOM 1039 H HB2 . ARG A 1 30 ? -3.861 3.106 1.628 1.00 0.00 ? 30 ARG A HB2 2 ATOM 1040 H HB3 . ARG A 1 30 ? -4.599 4.379 0.661 1.00 0.00 ? 30 ARG A HB3 2 ATOM 1041 H HG2 . ARG A 1 30 ? -6.323 3.285 1.905 1.00 0.00 ? 30 ARG A HG2 2 ATOM 1042 H HG3 . ARG A 1 30 ? -6.544 2.962 0.183 1.00 0.00 ? 30 ARG A HG3 2 ATOM 1043 H HD2 . ARG A 1 30 ? -5.116 0.751 0.857 1.00 0.00 ? 30 ARG A HD2 2 ATOM 1044 H HD3 . ARG A 1 30 ? -5.806 1.113 2.431 1.00 0.00 ? 30 ARG A HD3 2 ATOM 1045 H HE . ARG A 1 30 ? -7.395 0.764 -0.113 1.00 0.00 ? 30 ARG A HE 2 ATOM 1046 H HH11 . ARG A 1 30 ? -7.111 -0.073 3.303 1.00 0.00 ? 30 ARG A HH11 2 ATOM 1047 H HH12 . ARG A 1 30 ? -8.558 -1.062 3.216 1.00 0.00 ? 30 ARG A HH12 2 ATOM 1048 H HH21 . ARG A 1 30 ? -9.315 -0.263 -0.006 1.00 0.00 ? 30 ARG A HH21 2 ATOM 1049 H HH22 . ARG A 1 30 ? -9.798 -1.080 1.468 1.00 0.00 ? 30 ARG A HH22 2 ATOM 1050 N N . PRO A 1 31 ? -4.835 1.259 -2.197 1.00 0.00 ? 31 PRO A N 2 ATOM 1051 C CA . PRO A 1 31 ? -5.664 0.930 -3.361 1.00 0.00 ? 31 PRO A CA 2 ATOM 1052 C C . PRO A 1 31 ? -7.171 0.896 -3.061 1.00 0.00 ? 31 PRO A C 2 ATOM 1053 O O . PRO A 1 31 ? -7.596 0.670 -1.926 1.00 0.00 ? 31 PRO A O 2 ATOM 1054 C CB . PRO A 1 31 ? -5.154 -0.430 -3.856 1.00 0.00 ? 31 PRO A CB 2 ATOM 1055 C CG . PRO A 1 31 ? -4.673 -1.089 -2.567 1.00 0.00 ? 31 PRO A CG 2 ATOM 1056 C CD . PRO A 1 31 ? -4.067 0.083 -1.806 1.00 0.00 ? 31 PRO A CD 2 ATOM 1057 H HA . PRO A 1 31 ? -5.501 1.672 -4.139 1.00 0.00 ? 31 PRO A HA 2 ATOM 1058 H HB2 . PRO A 1 31 ? -5.930 -1.020 -4.347 1.00 0.00 ? 31 PRO A HB2 2 ATOM 1059 H HB3 . PRO A 1 31 ? -4.304 -0.284 -4.526 1.00 0.00 ? 31 PRO A HB3 2 ATOM 1060 H HG2 . PRO A 1 31 ? -5.527 -1.486 -2.017 1.00 0.00 ? 31 PRO A HG2 2 ATOM 1061 H HG3 . PRO A 1 31 ? -3.932 -1.864 -2.747 1.00 0.00 ? 31 PRO A HG3 2 ATOM 1062 H HD2 . PRO A 1 31 ? -4.122 -0.114 -0.737 1.00 0.00 ? 31 PRO A HD2 2 ATOM 1063 H HD3 . PRO A 1 31 ? -3.029 0.217 -2.115 1.00 0.00 ? 31 PRO A HD3 2 ATOM 1064 N N . SER A 1 32 ? -7.983 1.078 -4.110 1.00 0.00 ? 32 SER A N 2 ATOM 1065 C CA . SER A 1 32 ? -9.460 1.031 -4.065 1.00 0.00 ? 32 SER A CA 2 ATOM 1066 C C . SER A 1 32 ? -10.102 0.053 -5.072 1.00 0.00 ? 32 SER A C 2 ATOM 1067 O O . SER A 1 32 ? -11.329 -0.084 -5.097 1.00 0.00 ? 32 SER A O 2 ATOM 1068 C CB . SER A 1 32 ? -10.035 2.443 -4.245 1.00 0.00 ? 32 SER A CB 2 ATOM 1069 O OG . SER A 1 32 ? -9.684 3.273 -3.148 1.00 0.00 ? 32 SER A OG 2 ATOM 1070 H H . SER A 1 32 ? -7.550 1.300 -4.997 1.00 0.00 ? 32 SER A H 2 ATOM 1071 H HA . SER A 1 32 ? -9.773 0.682 -3.081 1.00 0.00 ? 32 SER A HA 2 ATOM 1072 H HB2 . SER A 1 32 ? -9.661 2.876 -5.175 1.00 0.00 ? 32 SER A HB2 2 ATOM 1073 H HB3 . SER A 1 32 ? -11.123 2.388 -4.300 1.00 0.00 ? 32 SER A HB3 2 ATOM 1074 H HG . SER A 1 32 ? -8.719 3.340 -3.125 1.00 0.00 ? 32 SER A HG 2 ATOM 1075 N N . GLY A 1 33 ? -9.299 -0.638 -5.896 1.00 0.00 ? 33 GLY A N 2 ATOM 1076 C CA . GLY A 1 33 ? -9.749 -1.621 -6.898 1.00 0.00 ? 33 GLY A CA 2 ATOM 1077 C C . GLY A 1 33 ? -8.644 -2.027 -7.871 1.00 0.00 ? 33 GLY A C 2 ATOM 1078 O O . GLY A 1 33 ? -7.835 -2.910 -7.513 1.00 0.00 ? 33 GLY A O 2 ATOM 1079 O OXT . GLY A 1 33 ? -8.597 -1.453 -8.982 1.00 0.00 ? 33 GLY A OXT 2 ATOM 1080 H H . GLY A 1 33 ? -8.303 -0.497 -5.807 1.00 0.00 ? 33 GLY A H 2 ATOM 1081 H HA2 . GLY A 1 33 ? -10.103 -2.520 -6.396 1.00 0.00 ? 33 GLY A HA2 2 ATOM 1082 H HA3 . GLY A 1 33 ? -10.576 -1.208 -7.475 1.00 0.00 ? 33 GLY A HA3 2 HETATM 1083 C C1 . GAL B 2 . ? 12.854 2.340 0.309 1.00 0.00 ? 101 GAL A C1 2 HETATM 1084 C C2 . GAL B 2 . ? 12.731 3.807 -0.175 1.00 0.00 ? 101 GAL A C2 2 HETATM 1085 C C3 . GAL B 2 . ? 11.728 3.860 -1.343 1.00 0.00 ? 101 GAL A C3 2 HETATM 1086 C C4 . GAL B 2 . ? 12.163 2.915 -2.482 1.00 0.00 ? 101 GAL A C4 2 HETATM 1087 C C5 . GAL B 2 . ? 12.297 1.477 -1.938 1.00 0.00 ? 101 GAL A C5 2 HETATM 1088 C C6 . GAL B 2 . ? 12.742 0.441 -2.982 1.00 0.00 ? 101 GAL A C6 2 HETATM 1089 O O2 . GAL B 2 . ? 12.273 4.680 0.900 1.00 0.00 ? 101 GAL A O2 2 HETATM 1090 O O3 . GAL B 2 . ? 11.595 5.222 -1.835 1.00 0.00 ? 101 GAL A O3 2 HETATM 1091 O O4 . GAL B 2 . ? 13.447 3.337 -3.010 1.00 0.00 ? 101 GAL A O4 2 HETATM 1092 O O5 . GAL B 2 . ? 13.251 1.466 -0.800 1.00 0.00 ? 101 GAL A O5 2 HETATM 1093 O O6 . GAL B 2 . ? 14.122 0.673 -3.339 1.00 0.00 ? 101 GAL A O6 2 HETATM 1094 H H1 . GAL B 2 . ? 11.890 1.998 0.684 1.00 0.00 ? 101 GAL A H1 2 HETATM 1095 H H2 . GAL B 2 . ? 13.707 4.161 -0.511 1.00 0.00 ? 101 GAL A H2 2 HETATM 1096 H H3 . GAL B 2 . ? 10.751 3.536 -0.981 1.00 0.00 ? 101 GAL A H3 2 HETATM 1097 H H4 . GAL B 2 . ? 11.424 2.932 -3.285 1.00 0.00 ? 101 GAL A H4 2 HETATM 1098 H H5 . GAL B 2 . ? 11.320 1.170 -1.567 1.00 0.00 ? 101 GAL A H5 2 HETATM 1099 H H61 . GAL B 2 . ? 12.656 -0.564 -2.567 1.00 0.00 ? 101 GAL A H61 2 HETATM 1100 H H62 . GAL B 2 . ? 12.116 0.510 -3.875 1.00 0.00 ? 101 GAL A H62 2 HETATM 1101 H HO2 . GAL B 2 . ? 11.617 4.209 1.451 1.00 0.00 ? 101 GAL A HO2 2 HETATM 1102 H HO3 . GAL B 2 . ? 11.529 5.803 -1.061 1.00 0.00 ? 101 GAL A HO3 2 HETATM 1103 H HO4 . GAL B 2 . ? 13.883 2.547 -3.381 1.00 0.00 ? 101 GAL A HO4 2 HETATM 1104 H HO6 . GAL B 2 . ? 14.654 0.495 -2.548 1.00 0.00 ? 101 GAL A HO6 2 ATOM 1105 N N . LYS A 1 1 ? -11.801 -4.547 3.762 1.00 0.00 ? 1 LYS A N 3 ATOM 1106 C CA . LYS A 1 1 ? -10.317 -4.498 3.637 1.00 0.00 ? 1 LYS A CA 3 ATOM 1107 C C . LYS A 1 1 ? -9.899 -3.854 2.302 1.00 0.00 ? 1 LYS A C 3 ATOM 1108 O O . LYS A 1 1 ? -10.698 -3.178 1.648 1.00 0.00 ? 1 LYS A O 3 ATOM 1109 C CB . LYS A 1 1 ? -9.684 -5.897 3.872 1.00 0.00 ? 1 LYS A CB 3 ATOM 1110 C CG . LYS A 1 1 ? -10.079 -6.987 2.851 1.00 0.00 ? 1 LYS A CG 3 ATOM 1111 C CD . LYS A 1 1 ? -9.090 -8.169 2.814 1.00 0.00 ? 1 LYS A CD 3 ATOM 1112 C CE . LYS A 1 1 ? -7.723 -7.859 2.168 1.00 0.00 ? 1 LYS A CE 3 ATOM 1113 N NZ . LYS A 1 1 ? -7.798 -7.712 0.688 1.00 0.00 ? 1 LYS A NZ 3 ATOM 1114 H H1 . LYS A 1 1 ? -12.193 -3.623 3.649 1.00 0.00 ? 1 LYS A H1 3 ATOM 1115 H H2 . LYS A 1 1 ? -12.069 -4.898 4.668 1.00 0.00 ? 1 LYS A H2 3 ATOM 1116 H H3 . LYS A 1 1 ? -12.199 -5.144 3.052 1.00 0.00 ? 1 LYS A H3 3 ATOM 1117 H HA . LYS A 1 1 ? -9.943 -3.836 4.420 1.00 0.00 ? 1 LYS A HA 3 ATOM 1118 H HB2 . LYS A 1 1 ? -8.599 -5.787 3.886 1.00 0.00 ? 1 LYS A HB2 3 ATOM 1119 H HB3 . LYS A 1 1 ? -9.965 -6.246 4.867 1.00 0.00 ? 1 LYS A HB3 3 ATOM 1120 H HG2 . LYS A 1 1 ? -11.064 -7.371 3.123 1.00 0.00 ? 1 LYS A HG2 3 ATOM 1121 H HG3 . LYS A 1 1 ? -10.160 -6.566 1.853 1.00 0.00 ? 1 LYS A HG3 3 ATOM 1122 H HD2 . LYS A 1 1 ? -8.921 -8.508 3.837 1.00 0.00 ? 1 LYS A HD2 3 ATOM 1123 H HD3 . LYS A 1 1 ? -9.553 -8.995 2.271 1.00 0.00 ? 1 LYS A HD3 3 ATOM 1124 H HE2 . LYS A 1 1 ? -7.304 -6.956 2.617 1.00 0.00 ? 1 LYS A HE2 3 ATOM 1125 H HE3 . LYS A 1 1 ? -7.043 -8.683 2.406 1.00 0.00 ? 1 LYS A HE3 3 ATOM 1126 H HZ1 . LYS A 1 1 ? -8.431 -6.968 0.409 1.00 0.00 ? 1 LYS A HZ1 3 ATOM 1127 H HZ2 . LYS A 1 1 ? -6.880 -7.511 0.297 1.00 0.00 ? 1 LYS A HZ2 3 ATOM 1128 H HZ3 . LYS A 1 1 ? -8.126 -8.566 0.258 1.00 0.00 ? 1 LYS A HZ3 3 ATOM 1129 N N . LEU A 1 2 ? -8.639 -4.042 1.893 1.00 0.00 ? 2 LEU A N 3 ATOM 1130 C CA . LEU A 1 2 ? -8.109 -3.693 0.565 1.00 0.00 ? 2 LEU A CA 3 ATOM 1131 C C . LEU A 1 2 ? -8.833 -4.466 -0.569 1.00 0.00 ? 2 LEU A C 3 ATOM 1132 O O . LEU A 1 2 ? -9.419 -5.518 -0.289 1.00 0.00 ? 2 LEU A O 3 ATOM 1133 C CB . LEU A 1 2 ? -6.600 -4.001 0.564 1.00 0.00 ? 2 LEU A CB 3 ATOM 1134 C CG . LEU A 1 2 ? -5.771 -3.102 1.499 1.00 0.00 ? 2 LEU A CG 3 ATOM 1135 C CD1 . LEU A 1 2 ? -4.407 -3.742 1.738 1.00 0.00 ? 2 LEU A CD1 3 ATOM 1136 C CD2 . LEU A 1 2 ? -5.555 -1.728 0.873 1.00 0.00 ? 2 LEU A CD2 3 ATOM 1137 H H . LEU A 1 2 ? -8.020 -4.538 2.517 1.00 0.00 ? 2 LEU A H 3 ATOM 1138 H HA . LEU A 1 2 ? -8.261 -2.629 0.405 1.00 0.00 ? 2 LEU A HA 3 ATOM 1139 H HB2 . LEU A 1 2 ? -6.464 -5.044 0.858 1.00 0.00 ? 2 LEU A HB2 3 ATOM 1140 H HB3 . LEU A 1 2 ? -6.210 -3.877 -0.445 1.00 0.00 ? 2 LEU A HB3 3 ATOM 1141 H HG . LEU A 1 2 ? -6.268 -2.988 2.460 1.00 0.00 ? 2 LEU A HG 3 ATOM 1142 H HD11 . LEU A 1 2 ? -3.814 -3.098 2.387 1.00 0.00 ? 2 LEU A HD11 3 ATOM 1143 H HD12 . LEU A 1 2 ? -4.541 -4.704 2.231 1.00 0.00 ? 2 LEU A HD12 3 ATOM 1144 H HD13 . LEU A 1 2 ? -3.890 -3.883 0.788 1.00 0.00 ? 2 LEU A HD13 3 ATOM 1145 H HD21 . LEU A 1 2 ? -6.512 -1.247 0.676 1.00 0.00 ? 2 LEU A HD21 3 ATOM 1146 H HD22 . LEU A 1 2 ? -4.984 -1.099 1.556 1.00 0.00 ? 2 LEU A HD22 3 ATOM 1147 H HD23 . LEU A 1 2 ? -5.005 -1.842 -0.059 1.00 0.00 ? 2 LEU A HD23 3 ATOM 1148 N N . PRO A 1 3 ? -8.793 -4.008 -1.838 1.00 0.00 ? 3 PRO A N 3 ATOM 1149 C CA . PRO A 1 3 ? -9.531 -4.635 -2.944 1.00 0.00 ? 3 PRO A CA 3 ATOM 1150 C C . PRO A 1 3 ? -9.028 -6.057 -3.293 1.00 0.00 ? 3 PRO A C 3 ATOM 1151 O O . PRO A 1 3 ? -8.013 -6.503 -2.748 1.00 0.00 ? 3 PRO A O 3 ATOM 1152 C CB . PRO A 1 3 ? -9.414 -3.667 -4.133 1.00 0.00 ? 3 PRO A CB 3 ATOM 1153 C CG . PRO A 1 3 ? -8.841 -2.377 -3.553 1.00 0.00 ? 3 PRO A CG 3 ATOM 1154 C CD . PRO A 1 3 ? -8.076 -2.841 -2.323 1.00 0.00 ? 3 PRO A CD 3 ATOM 1155 H HA . PRO A 1 3 ? -10.581 -4.700 -2.654 1.00 0.00 ? 3 PRO A HA 3 ATOM 1156 H HB2 . PRO A 1 3 ? -8.729 -4.058 -4.884 1.00 0.00 ? 3 PRO A HB2 3 ATOM 1157 H HB3 . PRO A 1 3 ? -10.391 -3.481 -4.585 1.00 0.00 ? 3 PRO A HB3 3 ATOM 1158 H HG2 . PRO A 1 3 ? -8.175 -1.889 -4.263 1.00 0.00 ? 3 PRO A HG2 3 ATOM 1159 H HG3 . PRO A 1 3 ? -9.653 -1.714 -3.253 1.00 0.00 ? 3 PRO A HG3 3 ATOM 1160 H HD2 . PRO A 1 3 ? -7.072 -3.140 -2.623 1.00 0.00 ? 3 PRO A HD2 3 ATOM 1161 H HD3 . PRO A 1 3 ? -8.020 -2.039 -1.587 1.00 0.00 ? 3 PRO A HD3 3 ATOM 1162 N N . PRO A 1 4 ? -9.696 -6.789 -4.212 1.00 0.00 ? 4 PRO A N 3 ATOM 1163 C CA . PRO A 1 4 ? -9.340 -8.166 -4.566 1.00 0.00 ? 4 PRO A CA 3 ATOM 1164 C C . PRO A 1 4 ? -7.862 -8.351 -4.950 1.00 0.00 ? 4 PRO A C 3 ATOM 1165 O O . PRO A 1 4 ? -7.342 -7.697 -5.858 1.00 0.00 ? 4 PRO A O 3 ATOM 1166 C CB . PRO A 1 4 ? -10.291 -8.558 -5.703 1.00 0.00 ? 4 PRO A CB 3 ATOM 1167 C CG . PRO A 1 4 ? -11.531 -7.718 -5.408 1.00 0.00 ? 4 PRO A CG 3 ATOM 1168 C CD . PRO A 1 4 ? -10.933 -6.413 -4.887 1.00 0.00 ? 4 PRO A CD 3 ATOM 1169 H HA . PRO A 1 4 ? -9.565 -8.797 -3.705 1.00 0.00 ? 4 PRO A HA 3 ATOM 1170 H HB2 . PRO A 1 4 ? -9.875 -8.261 -6.668 1.00 0.00 ? 4 PRO A HB2 3 ATOM 1171 H HB3 . PRO A 1 4 ? -10.513 -9.626 -5.693 1.00 0.00 ? 4 PRO A HB3 3 ATOM 1172 H HG2 . PRO A 1 4 ? -12.136 -7.557 -6.301 1.00 0.00 ? 4 PRO A HG2 3 ATOM 1173 H HG3 . PRO A 1 4 ? -12.120 -8.193 -4.622 1.00 0.00 ? 4 PRO A HG3 3 ATOM 1174 H HD2 . PRO A 1 4 ? -10.701 -5.756 -5.728 1.00 0.00 ? 4 PRO A HD2 3 ATOM 1175 H HD3 . PRO A 1 4 ? -11.636 -5.928 -4.208 1.00 0.00 ? 4 PRO A HD3 3 ATOM 1176 N N . GLY A 1 5 ? -7.181 -9.251 -4.235 1.00 0.00 ? 5 GLY A N 3 ATOM 1177 C CA . GLY A 1 5 ? -5.756 -9.563 -4.397 1.00 0.00 ? 5 GLY A CA 3 ATOM 1178 C C . GLY A 1 5 ? -4.773 -8.617 -3.695 1.00 0.00 ? 5 GLY A C 3 ATOM 1179 O O . GLY A 1 5 ? -3.609 -8.986 -3.537 1.00 0.00 ? 5 GLY A O 3 ATOM 1180 H H . GLY A 1 5 ? -7.681 -9.744 -3.509 1.00 0.00 ? 5 GLY A H 3 ATOM 1181 H HA2 . GLY A 1 5 ? -5.578 -10.570 -4.015 1.00 0.00 ? 5 GLY A HA2 3 ATOM 1182 H HA3 . GLY A 1 5 ? -5.513 -9.546 -5.462 1.00 0.00 ? 5 GLY A HA3 3 ATOM 1183 N N . TRP A 1 6 ? -5.200 -7.430 -3.248 1.00 0.00 ? 6 TRP A N 3 ATOM 1184 C CA . TRP A 1 6 ? -4.340 -6.462 -2.554 1.00 0.00 ? 6 TRP A CA 3 ATOM 1185 C C . TRP A 1 6 ? -4.100 -6.791 -1.072 1.00 0.00 ? 6 TRP A C 3 ATOM 1186 O O . TRP A 1 6 ? -5.027 -7.151 -0.338 1.00 0.00 ? 6 TRP A O 3 ATOM 1187 C CB . TRP A 1 6 ? -4.889 -5.039 -2.688 1.00 0.00 ? 6 TRP A CB 3 ATOM 1188 C CG . TRP A 1 6 ? -4.898 -4.435 -4.059 1.00 0.00 ? 6 TRP A CG 3 ATOM 1189 C CD1 . TRP A 1 6 ? -5.894 -4.584 -4.960 1.00 0.00 ? 6 TRP A CD1 3 ATOM 1190 C CD2 . TRP A 1 6 ? -3.812 -3.782 -4.788 1.00 0.00 ? 6 TRP A CD2 3 ATOM 1191 N NE1 . TRP A 1 6 ? -5.566 -3.945 -6.137 1.00 0.00 ? 6 TRP A NE1 3 ATOM 1192 C CE2 . TRP A 1 6 ? -4.276 -3.465 -6.101 1.00 0.00 ? 6 TRP A CE2 3 ATOM 1193 C CE3 . TRP A 1 6 ? -2.489 -3.400 -4.470 1.00 0.00 ? 6 TRP A CE3 3 ATOM 1194 C CZ2 . TRP A 1 6 ? -3.474 -2.822 -7.051 1.00 0.00 ? 6 TRP A CZ2 3 ATOM 1195 C CZ3 . TRP A 1 6 ? -1.681 -2.728 -5.410 1.00 0.00 ? 6 TRP A CZ3 3 ATOM 1196 C CH2 . TRP A 1 6 ? -2.169 -2.440 -6.698 1.00 0.00 ? 6 TRP A CH2 3 ATOM 1197 H H . TRP A 1 6 ? -6.180 -7.196 -3.355 1.00 0.00 ? 6 TRP A H 3 ATOM 1198 H HA . TRP A 1 6 ? -3.368 -6.466 -3.042 1.00 0.00 ? 6 TRP A HA 3 ATOM 1199 H HB2 . TRP A 1 6 ? -5.907 -5.032 -2.302 1.00 0.00 ? 6 TRP A HB2 3 ATOM 1200 H HB3 . TRP A 1 6 ? -4.283 -4.381 -2.057 1.00 0.00 ? 6 TRP A HB3 3 ATOM 1201 H HD1 . TRP A 1 6 ? -6.825 -5.099 -4.770 1.00 0.00 ? 6 TRP A HD1 3 ATOM 1202 H HE1 . TRP A 1 6 ? -6.224 -3.820 -6.913 1.00 0.00 ? 6 TRP A HE1 3 ATOM 1203 H HE3 . TRP A 1 6 ? -2.107 -3.612 -3.483 1.00 0.00 ? 6 TRP A HE3 3 ATOM 1204 H HZ2 . TRP A 1 6 ? -3.863 -2.634 -8.042 1.00 0.00 ? 6 TRP A HZ2 3 ATOM 1205 H HZ3 . TRP A 1 6 ? -0.678 -2.426 -5.142 1.00 0.00 ? 6 TRP A HZ3 3 ATOM 1206 H HH2 . TRP A 1 6 ? -1.538 -1.927 -7.413 1.00 0.00 ? 6 TRP A HH2 3 ATOM 1207 N N . GLU A 1 7 ? -2.862 -6.588 -0.623 1.00 0.00 ? 7 GLU A N 3 ATOM 1208 C CA . GLU A 1 7 ? -2.405 -6.710 0.767 1.00 0.00 ? 7 GLU A CA 3 ATOM 1209 C C . GLU A 1 7 ? -1.223 -5.745 1.025 1.00 0.00 ? 7 GLU A C 3 ATOM 1210 O O . GLU A 1 7 ? -0.511 -5.360 0.091 1.00 0.00 ? 7 GLU A O 3 ATOM 1211 C CB . GLU A 1 7 ? -2.031 -8.183 1.037 1.00 0.00 ? 7 GLU A CB 3 ATOM 1212 C CG . GLU A 1 7 ? -1.747 -8.487 2.518 1.00 0.00 ? 7 GLU A CG 3 ATOM 1213 C CD . GLU A 1 7 ? -1.539 -9.989 2.824 1.00 0.00 ? 7 GLU A CD 3 ATOM 1214 O OE1 . GLU A 1 7 ? -1.619 -10.849 1.914 1.00 0.00 ? 7 GLU A OE1 3 ATOM 1215 O OE2 . GLU A 1 7 ? -1.292 -10.322 4.009 1.00 0.00 ? 7 GLU A OE2 3 ATOM 1216 H H . GLU A 1 7 ? -2.148 -6.347 -1.304 1.00 0.00 ? 7 GLU A H 3 ATOM 1217 H HA . GLU A 1 7 ? -3.220 -6.436 1.437 1.00 0.00 ? 7 GLU A HA 3 ATOM 1218 H HB2 . GLU A 1 7 ? -2.867 -8.807 0.718 1.00 0.00 ? 7 GLU A HB2 3 ATOM 1219 H HB3 . GLU A 1 7 ? -1.156 -8.446 0.440 1.00 0.00 ? 7 GLU A HB3 3 ATOM 1220 H HG2 . GLU A 1 7 ? -0.853 -7.946 2.827 1.00 0.00 ? 7 GLU A HG2 3 ATOM 1221 H HG3 . GLU A 1 7 ? -2.587 -8.118 3.112 1.00 0.00 ? 7 GLU A HG3 3 ATOM 1222 N N . LYS A 1 8 ? -0.993 -5.336 2.281 1.00 0.00 ? 8 LYS A N 3 ATOM 1223 C CA . LYS A 1 8 ? 0.206 -4.565 2.666 1.00 0.00 ? 8 LYS A CA 3 ATOM 1224 C C . LYS A 1 8 ? 1.508 -5.359 2.502 1.00 0.00 ? 8 LYS A C 3 ATOM 1225 O O . LYS A 1 8 ? 1.556 -6.569 2.748 1.00 0.00 ? 8 LYS A O 3 ATOM 1226 C CB . LYS A 1 8 ? 0.085 -3.996 4.088 1.00 0.00 ? 8 LYS A CB 3 ATOM 1227 C CG . LYS A 1 8 ? -0.832 -2.765 4.105 1.00 0.00 ? 8 LYS A CG 3 ATOM 1228 C CD . LYS A 1 8 ? -1.125 -2.258 5.525 1.00 0.00 ? 8 LYS A CD 3 ATOM 1229 C CE . LYS A 1 8 ? 0.119 -1.648 6.186 1.00 0.00 ? 8 LYS A CE 3 ATOM 1230 N NZ . LYS A 1 8 ? -0.176 -1.177 7.565 1.00 0.00 ? 8 LYS A NZ 3 ATOM 1231 H H . LYS A 1 8 ? -1.604 -5.668 3.015 1.00 0.00 ? 8 LYS A H 3 ATOM 1232 H HA . LYS A 1 8 ? 0.288 -3.719 1.981 1.00 0.00 ? 8 LYS A HA 3 ATOM 1233 H HB2 . LYS A 1 8 ? -0.300 -4.765 4.760 1.00 0.00 ? 8 LYS A HB2 3 ATOM 1234 H HB3 . LYS A 1 8 ? 1.073 -3.694 4.439 1.00 0.00 ? 8 LYS A HB3 3 ATOM 1235 H HG2 . LYS A 1 8 ? -0.369 -1.963 3.526 1.00 0.00 ? 8 LYS A HG2 3 ATOM 1236 H HG3 . LYS A 1 8 ? -1.776 -3.036 3.633 1.00 0.00 ? 8 LYS A HG3 3 ATOM 1237 H HD2 . LYS A 1 8 ? -1.901 -1.494 5.464 1.00 0.00 ? 8 LYS A HD2 3 ATOM 1238 H HD3 . LYS A 1 8 ? -1.501 -3.083 6.132 1.00 0.00 ? 8 LYS A HD3 3 ATOM 1239 H HE2 . LYS A 1 8 ? 0.922 -2.390 6.214 1.00 0.00 ? 8 LYS A HE2 3 ATOM 1240 H HE3 . LYS A 1 8 ? 0.462 -0.809 5.573 1.00 0.00 ? 8 LYS A HE3 3 ATOM 1241 H HZ1 . LYS A 1 8 ? 0.646 -0.771 7.994 1.00 0.00 ? 8 LYS A HZ1 3 ATOM 1242 H HZ2 . LYS A 1 8 ? -0.900 -0.471 7.564 1.00 0.00 ? 8 LYS A HZ2 3 ATOM 1243 H HZ3 . LYS A 1 8 ? -0.483 -1.938 8.154 1.00 0.00 ? 8 LYS A HZ3 3 ATOM 1244 N N . ARG A 1 9 ? 2.567 -4.649 2.117 1.00 0.00 ? 9 ARG A N 3 ATOM 1245 C CA . ARG A 1 9 ? 3.935 -5.149 1.885 1.00 0.00 ? 9 ARG A CA 3 ATOM 1246 C C . ARG A 1 9 ? 4.959 -4.085 2.313 1.00 0.00 ? 9 ARG A C 3 ATOM 1247 O O . ARG A 1 9 ? 4.582 -2.949 2.607 1.00 0.00 ? 9 ARG A O 3 ATOM 1248 C CB . ARG A 1 9 ? 4.034 -5.573 0.402 1.00 0.00 ? 9 ARG A CB 3 ATOM 1249 C CG . ARG A 1 9 ? 5.261 -6.436 0.074 1.00 0.00 ? 9 ARG A CG 3 ATOM 1250 C CD . ARG A 1 9 ? 5.116 -7.097 -1.303 1.00 0.00 ? 9 ARG A CD 3 ATOM 1251 N NE . ARG A 1 9 ? 6.310 -7.900 -1.633 1.00 0.00 ? 9 ARG A NE 3 ATOM 1252 C CZ . ARG A 1 9 ? 6.700 -8.282 -2.836 1.00 0.00 ? 9 ARG A CZ 3 ATOM 1253 N NH1 . ARG A 1 9 ? 7.826 -8.921 -2.987 1.00 0.00 ? 9 ARG A NH1 3 ATOM 1254 N NH2 . ARG A 1 9 ? 5.997 -8.056 -3.909 1.00 0.00 ? 9 ARG A NH2 3 ATOM 1255 H H . ARG A 1 9 ? 2.404 -3.658 1.964 1.00 0.00 ? 9 ARG A H 3 ATOM 1256 H HA . ARG A 1 9 ? 4.104 -6.027 2.512 1.00 0.00 ? 9 ARG A HA 3 ATOM 1257 H HB2 . ARG A 1 9 ? 3.146 -6.161 0.164 1.00 0.00 ? 9 ARG A HB2 3 ATOM 1258 H HB3 . ARG A 1 9 ? 4.028 -4.685 -0.234 1.00 0.00 ? 9 ARG A HB3 3 ATOM 1259 H HG2 . ARG A 1 9 ? 6.158 -5.815 0.077 1.00 0.00 ? 9 ARG A HG2 3 ATOM 1260 H HG3 . ARG A 1 9 ? 5.359 -7.221 0.827 1.00 0.00 ? 9 ARG A HG3 3 ATOM 1261 H HD2 . ARG A 1 9 ? 4.236 -7.745 -1.299 1.00 0.00 ? 9 ARG A HD2 3 ATOM 1262 H HD3 . ARG A 1 9 ? 4.981 -6.313 -2.052 1.00 0.00 ? 9 ARG A HD3 3 ATOM 1263 H HE . ARG A 1 9 ? 6.917 -8.156 -0.870 1.00 0.00 ? 9 ARG A HE 3 ATOM 1264 H HH11 . ARG A 1 9 ? 8.405 -9.121 -2.188 1.00 0.00 ? 9 ARG A HH11 3 ATOM 1265 H HH12 . ARG A 1 9 ? 8.122 -9.214 -3.904 1.00 0.00 ? 9 ARG A HH12 3 ATOM 1266 H HH21 . ARG A 1 9 ? 5.093 -7.621 -3.827 1.00 0.00 ? 9 ARG A HH21 3 ATOM 1267 H HH22 . ARG A 1 9 ? 6.319 -8.372 -4.807 1.00 0.00 ? 9 ARG A HH22 3 ATOM 1268 N N . MET A 1 10 ? 6.247 -4.425 2.381 1.00 0.00 ? 10 MET A N 3 ATOM 1269 C CA . MET A 1 10 ? 7.275 -3.541 2.947 1.00 0.00 ? 10 MET A CA 3 ATOM 1270 C C . MET A 1 10 ? 8.671 -3.836 2.379 1.00 0.00 ? 10 MET A C 3 ATOM 1271 O O . MET A 1 10 ? 9.081 -4.991 2.243 1.00 0.00 ? 10 MET A O 3 ATOM 1272 C CB . MET A 1 10 ? 7.273 -3.676 4.483 1.00 0.00 ? 10 MET A CB 3 ATOM 1273 C CG . MET A 1 10 ? 8.150 -2.628 5.181 1.00 0.00 ? 10 MET A CG 3 ATOM 1274 S SD . MET A 1 10 ? 8.260 -2.793 6.984 1.00 0.00 ? 10 MET A SD 3 ATOM 1275 C CE . MET A 1 10 ? 9.374 -4.221 7.106 1.00 0.00 ? 10 MET A CE 3 ATOM 1276 H H . MET A 1 10 ? 6.514 -5.367 2.132 1.00 0.00 ? 10 MET A H 3 ATOM 1277 H HA . MET A 1 10 ? 7.021 -2.514 2.692 1.00 0.00 ? 10 MET A HA 3 ATOM 1278 H HB2 . MET A 1 10 ? 6.254 -3.562 4.855 1.00 0.00 ? 10 MET A HB2 3 ATOM 1279 H HB3 . MET A 1 10 ? 7.620 -4.674 4.750 1.00 0.00 ? 10 MET A HB3 3 ATOM 1280 H HG2 . MET A 1 10 ? 9.160 -2.662 4.775 1.00 0.00 ? 10 MET A HG2 3 ATOM 1281 H HG3 . MET A 1 10 ? 7.733 -1.646 4.966 1.00 0.00 ? 10 MET A HG3 3 ATOM 1282 H HE1 . MET A 1 10 ? 10.306 -4.008 6.581 1.00 0.00 ? 10 MET A HE1 3 ATOM 1283 H HE2 . MET A 1 10 ? 9.593 -4.425 8.153 1.00 0.00 ? 10 MET A HE2 3 ATOM 1284 H HE3 . MET A 1 10 ? 8.905 -5.100 6.663 1.00 0.00 ? 10 MET A HE3 3 ATOM 1285 N N . PHE A 1 11 ? 9.391 -2.766 2.045 1.00 0.00 ? 11 PHE A N 3 ATOM 1286 C CA . PHE A 1 11 ? 10.772 -2.770 1.562 1.00 0.00 ? 11 PHE A CA 3 ATOM 1287 C C . PHE A 1 11 ? 11.839 -3.081 2.628 1.00 0.00 ? 11 PHE A C 3 ATOM 1288 O O . PHE A 1 11 ? 11.595 -2.923 3.827 1.00 0.00 ? 11 PHE A O 3 ATOM 1289 C CB . PHE A 1 11 ? 11.051 -1.439 0.851 1.00 0.00 ? 11 PHE A CB 3 ATOM 1290 C CG . PHE A 1 11 ? 10.319 -1.232 -0.460 1.00 0.00 ? 11 PHE A CG 3 ATOM 1291 C CD1 . PHE A 1 11 ? 9.276 -0.289 -0.534 1.00 0.00 ? 11 PHE A CD1 3 ATOM 1292 C CD2 . PHE A 1 11 ? 10.691 -1.951 -1.613 1.00 0.00 ? 11 PHE A CD2 3 ATOM 1293 C CE1 . PHE A 1 11 ? 8.610 -0.062 -1.750 1.00 0.00 ? 11 PHE A CE1 3 ATOM 1294 C CE2 . PHE A 1 11 ? 10.021 -1.726 -2.829 1.00 0.00 ? 11 PHE A CE2 3 ATOM 1295 C CZ . PHE A 1 11 ? 8.982 -0.781 -2.899 1.00 0.00 ? 11 PHE A CZ 3 ATOM 1296 H H . PHE A 1 11 ? 8.967 -1.857 2.199 1.00 0.00 ? 11 PHE A H 3 ATOM 1297 H HA . PHE A 1 11 ? 10.858 -3.558 0.813 1.00 0.00 ? 11 PHE A HA 3 ATOM 1298 H HB2 . PHE A 1 11 ? 10.773 -0.633 1.531 1.00 0.00 ? 11 PHE A HB2 3 ATOM 1299 H HB3 . PHE A 1 11 ? 12.121 -1.359 0.642 1.00 0.00 ? 11 PHE A HB3 3 ATOM 1300 H HD1 . PHE A 1 11 ? 8.978 0.263 0.346 1.00 0.00 ? 11 PHE A HD1 3 ATOM 1301 H HD2 . PHE A 1 11 ? 11.495 -2.673 -1.566 1.00 0.00 ? 11 PHE A HD2 3 ATOM 1302 H HE1 . PHE A 1 11 ? 7.799 0.652 -1.788 1.00 0.00 ? 11 PHE A HE1 3 ATOM 1303 H HE2 . PHE A 1 11 ? 10.305 -2.282 -3.714 1.00 0.00 ? 11 PHE A HE2 3 ATOM 1304 H HZ . PHE A 1 11 ? 8.461 -0.614 -3.833 1.00 0.00 ? 11 PHE A HZ 3 ATOM 1305 N N . ALA A 1 12 ? 13.052 -3.459 2.206 1.00 0.00 ? 12 ALA A N 3 ATOM 1306 C CA . ALA A 1 12 ? 14.179 -3.749 3.105 1.00 0.00 ? 12 ALA A CA 3 ATOM 1307 C C . ALA A 1 12 ? 14.646 -2.535 3.947 1.00 0.00 ? 12 ALA A C 3 ATOM 1308 O O . ALA A 1 12 ? 15.234 -2.708 5.017 1.00 0.00 ? 12 ALA A O 3 ATOM 1309 C CB . ALA A 1 12 ? 15.327 -4.304 2.252 1.00 0.00 ? 12 ALA A CB 3 ATOM 1310 H H . ALA A 1 12 ? 13.201 -3.572 1.213 1.00 0.00 ? 12 ALA A H 3 ATOM 1311 H HA . ALA A 1 12 ? 13.869 -4.527 3.805 1.00 0.00 ? 12 ALA A HA 3 ATOM 1312 H HB1 . ALA A 1 12 ? 16.162 -4.581 2.896 1.00 0.00 ? 12 ALA A HB1 3 ATOM 1313 H HB2 . ALA A 1 12 ? 14.994 -5.191 1.711 1.00 0.00 ? 12 ALA A HB2 3 ATOM 1314 H HB3 . ALA A 1 12 ? 15.664 -3.550 1.538 1.00 0.00 ? 12 ALA A HB3 3 ATOM 1315 N N . ASN A 1 13 ? 14.359 -1.310 3.489 1.00 0.00 ? 13 ASN A N 3 ATOM 1316 C CA . ASN A 1 13 ? 14.588 -0.051 4.215 1.00 0.00 ? 13 ASN A CA 3 ATOM 1317 C C . ASN A 1 13 ? 13.522 0.269 5.297 1.00 0.00 ? 13 ASN A C 3 ATOM 1318 O O . ASN A 1 13 ? 13.667 1.255 6.024 1.00 0.00 ? 13 ASN A O 3 ATOM 1319 C CB . ASN A 1 13 ? 14.726 1.099 3.190 1.00 0.00 ? 13 ASN A CB 3 ATOM 1320 C CG . ASN A 1 13 ? 13.500 1.300 2.307 1.00 0.00 ? 13 ASN A CG 3 ATOM 1321 O OD1 . ASN A 1 13 ? 12.418 0.818 2.625 1.00 0.00 ? 13 ASN A OD1 3 ATOM 1322 N ND2 . ASN A 1 13 ? 13.662 2.008 1.200 1.00 0.00 ? 13 ASN A ND2 3 ATOM 1323 H H . ASN A 1 13 ? 13.880 -1.253 2.602 1.00 0.00 ? 13 ASN A H 3 ATOM 1324 H HA . ASN A 1 13 ? 15.540 -0.133 4.745 1.00 0.00 ? 13 ASN A HA 3 ATOM 1325 H HB2 . ASN A 1 13 ? 14.922 2.035 3.717 1.00 0.00 ? 13 ASN A HB2 3 ATOM 1326 H HB3 . ASN A 1 13 ? 15.580 0.883 2.546 1.00 0.00 ? 13 ASN A HB3 3 ATOM 1327 H HD21 . ASN A 1 13 ? 14.573 2.391 1.001 1.00 0.00 ? 13 ASN A HD21 3 ATOM 1328 N N . GLY A 1 14 ? 12.456 -0.535 5.410 1.00 0.00 ? 14 GLY A N 3 ATOM 1329 C CA . GLY A 1 14 ? 11.352 -0.337 6.359 1.00 0.00 ? 14 GLY A CA 3 ATOM 1330 C C . GLY A 1 14 ? 10.189 0.535 5.856 1.00 0.00 ? 14 GLY A C 3 ATOM 1331 O O . GLY A 1 14 ? 9.371 0.975 6.669 1.00 0.00 ? 14 GLY A O 3 ATOM 1332 H H . GLY A 1 14 ? 12.391 -1.329 4.783 1.00 0.00 ? 14 GLY A H 3 ATOM 1333 H HA2 . GLY A 1 14 ? 10.938 -1.320 6.599 1.00 0.00 ? 14 GLY A HA2 3 ATOM 1334 H HA3 . GLY A 1 14 ? 11.737 0.108 7.279 1.00 0.00 ? 14 GLY A HA3 3 ATOM 1335 N N . THR A 1 15 ? 10.078 0.784 4.545 1.00 0.00 ? 15 THR A N 3 ATOM 1336 C CA . THR A 1 15 ? 9.009 1.611 3.947 1.00 0.00 ? 15 THR A CA 3 ATOM 1337 C C . THR A 1 15 ? 7.875 0.689 3.490 1.00 0.00 ? 15 THR A C 3 ATOM 1338 O O . THR A 1 15 ? 8.105 -0.291 2.780 1.00 0.00 ? 15 THR A O 3 ATOM 1339 C CB . THR A 1 15 ? 9.560 2.386 2.736 1.00 0.00 ? 15 THR A CB 3 ATOM 1340 O OG1 . THR A 1 15 ? 10.428 3.401 3.194 1.00 0.00 ? 15 THR A OG1 3 ATOM 1341 C CG2 . THR A 1 15 ? 8.490 3.064 1.877 1.00 0.00 ? 15 THR A CG2 3 ATOM 1342 H H . THR A 1 15 ? 10.812 0.452 3.930 1.00 0.00 ? 15 THR A H 3 ATOM 1343 H HA . THR A 1 15 ? 8.624 2.328 4.672 1.00 0.00 ? 15 THR A HA 3 ATOM 1344 H HB . THR A 1 15 ? 10.116 1.702 2.095 1.00 0.00 ? 15 THR A HB 3 ATOM 1345 H HG1 . THR A 1 15 ? 10.917 3.724 2.412 1.00 0.00 ? 15 THR A HG1 3 ATOM 1346 H HG21 . THR A 1 15 ? 7.841 3.680 2.501 1.00 0.00 ? 15 THR A HG21 3 ATOM 1347 H HG22 . THR A 1 15 ? 8.963 3.690 1.121 1.00 0.00 ? 15 THR A HG22 3 ATOM 1348 H HG23 . THR A 1 15 ? 7.892 2.311 1.360 1.00 0.00 ? 15 THR A HG23 3 ATOM 1349 N N . VAL A 1 16 ? 6.639 1.017 3.877 1.00 0.00 ? 16 VAL A N 3 ATOM 1350 C CA . VAL A 1 16 ? 5.428 0.208 3.629 1.00 0.00 ? 16 VAL A CA 3 ATOM 1351 C C . VAL A 1 16 ? 4.729 0.696 2.353 1.00 0.00 ? 16 VAL A C 3 ATOM 1352 O O . VAL A 1 16 ? 4.708 1.893 2.051 1.00 0.00 ? 16 VAL A O 3 ATOM 1353 C CB . VAL A 1 16 ? 4.474 0.303 4.841 1.00 0.00 ? 16 VAL A CB 3 ATOM 1354 C CG1 . VAL A 1 16 ? 3.079 -0.291 4.606 1.00 0.00 ? 16 VAL A CG1 3 ATOM 1355 C CG2 . VAL A 1 16 ? 5.064 -0.427 6.054 1.00 0.00 ? 16 VAL A CG2 3 ATOM 1356 H H . VAL A 1 16 ? 6.526 1.862 4.421 1.00 0.00 ? 16 VAL A H 3 ATOM 1357 H HA . VAL A 1 16 ? 5.703 -0.836 3.492 1.00 0.00 ? 16 VAL A HA 3 ATOM 1358 H HB . VAL A 1 16 ? 4.345 1.355 5.102 1.00 0.00 ? 16 VAL A HB 3 ATOM 1359 H HG11 . VAL A 1 16 ? 2.503 -0.226 5.528 1.00 0.00 ? 16 VAL A HG11 3 ATOM 1360 H HG12 . VAL A 1 16 ? 2.544 0.273 3.842 1.00 0.00 ? 16 VAL A HG12 3 ATOM 1361 H HG13 . VAL A 1 16 ? 3.158 -1.336 4.302 1.00 0.00 ? 16 VAL A HG13 3 ATOM 1362 H HG21 . VAL A 1 16 ? 5.182 -1.487 5.829 1.00 0.00 ? 16 VAL A HG21 3 ATOM 1363 H HG22 . VAL A 1 16 ? 6.033 -0.003 6.319 1.00 0.00 ? 16 VAL A HG22 3 ATOM 1364 H HG23 . VAL A 1 16 ? 4.393 -0.323 6.908 1.00 0.00 ? 16 VAL A HG23 3 ATOM 1365 N N . TYR A 1 17 ? 4.132 -0.242 1.617 1.00 0.00 ? 17 TYR A N 3 ATOM 1366 C CA . TYR A 1 17 ? 3.356 -0.009 0.395 1.00 0.00 ? 17 TYR A CA 3 ATOM 1367 C C . TYR A 1 17 ? 2.264 -1.092 0.258 1.00 0.00 ? 17 TYR A C 3 ATOM 1368 O O . TYR A 1 17 ? 2.129 -1.981 1.104 1.00 0.00 ? 17 TYR A O 3 ATOM 1369 C CB . TYR A 1 17 ? 4.322 -0.003 -0.807 1.00 0.00 ? 17 TYR A CB 3 ATOM 1370 C CG . TYR A 1 17 ? 5.012 -1.317 -1.146 1.00 0.00 ? 17 TYR A CG 3 ATOM 1371 C CD1 . TYR A 1 17 ? 6.146 -1.733 -0.421 1.00 0.00 ? 17 TYR A CD1 3 ATOM 1372 C CD2 . TYR A 1 17 ? 4.571 -2.078 -2.248 1.00 0.00 ? 17 TYR A CD2 3 ATOM 1373 C CE1 . TYR A 1 17 ? 6.862 -2.879 -0.821 1.00 0.00 ? 17 TYR A CE1 3 ATOM 1374 C CE2 . TYR A 1 17 ? 5.273 -3.234 -2.641 1.00 0.00 ? 17 TYR A CE2 3 ATOM 1375 C CZ . TYR A 1 17 ? 6.438 -3.619 -1.944 1.00 0.00 ? 17 TYR A CZ 3 ATOM 1376 O OH . TYR A 1 17 ? 7.156 -4.693 -2.368 1.00 0.00 ? 17 TYR A OH 3 ATOM 1377 H H . TYR A 1 17 ? 4.173 -1.201 1.950 1.00 0.00 ? 17 TYR A H 3 ATOM 1378 H HA . TYR A 1 17 ? 2.862 0.962 0.450 1.00 0.00 ? 17 TYR A HA 3 ATOM 1379 H HB2 . TYR A 1 17 ? 3.776 0.337 -1.686 1.00 0.00 ? 17 TYR A HB2 3 ATOM 1380 H HB3 . TYR A 1 17 ? 5.094 0.747 -0.626 1.00 0.00 ? 17 TYR A HB3 3 ATOM 1381 H HD1 . TYR A 1 17 ? 6.501 -1.146 0.415 1.00 0.00 ? 17 TYR A HD1 3 ATOM 1382 H HD2 . TYR A 1 17 ? 3.709 -1.758 -2.818 1.00 0.00 ? 17 TYR A HD2 3 ATOM 1383 H HE1 . TYR A 1 17 ? 7.759 -3.168 -0.294 1.00 0.00 ? 17 TYR A HE1 3 ATOM 1384 H HE2 . TYR A 1 17 ? 4.945 -3.812 -3.492 1.00 0.00 ? 17 TYR A HE2 3 ATOM 1385 H HH . TYR A 1 17 ? 7.999 -4.760 -1.906 1.00 0.00 ? 17 TYR A HH 3 ATOM 1386 N N . TYR A 1 18 ? 1.466 -1.018 -0.808 1.00 0.00 ? 18 TYR A N 3 ATOM 1387 C CA . TYR A 1 18 ? 0.389 -1.959 -1.126 1.00 0.00 ? 18 TYR A CA 3 ATOM 1388 C C . TYR A 1 18 ? 0.755 -2.786 -2.364 1.00 0.00 ? 18 TYR A C 3 ATOM 1389 O O . TYR A 1 18 ? 1.270 -2.250 -3.350 1.00 0.00 ? 18 TYR A O 3 ATOM 1390 C CB . TYR A 1 18 ? -0.921 -1.185 -1.334 1.00 0.00 ? 18 TYR A CB 3 ATOM 1391 C CG . TYR A 1 18 ? -1.322 -0.340 -0.136 1.00 0.00 ? 18 TYR A CG 3 ATOM 1392 C CD1 . TYR A 1 18 ? -1.024 1.037 -0.110 1.00 0.00 ? 18 TYR A CD1 3 ATOM 1393 C CD2 . TYR A 1 18 ? -1.961 -0.939 0.967 1.00 0.00 ? 18 TYR A CD2 3 ATOM 1394 C CE1 . TYR A 1 18 ? -1.366 1.815 1.012 1.00 0.00 ? 18 TYR A CE1 3 ATOM 1395 C CE2 . TYR A 1 18 ? -2.312 -0.163 2.090 1.00 0.00 ? 18 TYR A CE2 3 ATOM 1396 C CZ . TYR A 1 18 ? -2.016 1.218 2.114 1.00 0.00 ? 18 TYR A CZ 3 ATOM 1397 O OH . TYR A 1 18 ? -2.354 1.976 3.191 1.00 0.00 ? 18 TYR A OH 3 ATOM 1398 H H . TYR A 1 18 ? 1.620 -0.265 -1.469 1.00 0.00 ? 18 TYR A H 3 ATOM 1399 H HA . TYR A 1 18 ? 0.239 -2.647 -0.294 1.00 0.00 ? 18 TYR A HA 3 ATOM 1400 H HB2 . TYR A 1 18 ? -0.818 -0.538 -2.208 1.00 0.00 ? 18 TYR A HB2 3 ATOM 1401 H HB3 . TYR A 1 18 ? -1.719 -1.903 -1.533 1.00 0.00 ? 18 TYR A HB3 3 ATOM 1402 H HD1 . TYR A 1 18 ? -0.531 1.499 -0.955 1.00 0.00 ? 18 TYR A HD1 3 ATOM 1403 H HD2 . TYR A 1 18 ? -2.175 -1.999 0.953 1.00 0.00 ? 18 TYR A HD2 3 ATOM 1404 H HE1 . TYR A 1 18 ? -1.138 2.870 1.035 1.00 0.00 ? 18 TYR A HE1 3 ATOM 1405 H HE2 . TYR A 1 18 ? -2.803 -0.625 2.934 1.00 0.00 ? 18 TYR A HE2 3 ATOM 1406 H HH . TYR A 1 18 ? -2.801 1.455 3.868 1.00 0.00 ? 18 TYR A HH 3 ATOM 1407 N N . PHE A 1 19 ? 0.479 -4.091 -2.326 1.00 0.00 ? 19 PHE A N 3 ATOM 1408 C CA . PHE A 1 19 ? 0.859 -5.049 -3.365 1.00 0.00 ? 19 PHE A CA 3 ATOM 1409 C C . PHE A 1 19 ? -0.254 -6.046 -3.708 1.00 0.00 ? 19 PHE A C 3 ATOM 1410 O O . PHE A 1 19 ? -0.881 -6.607 -2.807 1.00 0.00 ? 19 PHE A O 3 ATOM 1411 C CB . PHE A 1 19 ? 2.163 -5.745 -2.964 1.00 0.00 ? 19 PHE A CB 3 ATOM 1412 C CG . PHE A 1 19 ? 2.594 -6.808 -3.949 1.00 0.00 ? 19 PHE A CG 3 ATOM 1413 C CD1 . PHE A 1 19 ? 3.151 -6.388 -5.167 1.00 0.00 ? 19 PHE A CD1 3 ATOM 1414 C CD2 . PHE A 1 19 ? 2.405 -8.182 -3.699 1.00 0.00 ? 19 PHE A CD2 3 ATOM 1415 C CE1 . PHE A 1 19 ? 3.511 -7.326 -6.143 1.00 0.00 ? 19 PHE A CE1 3 ATOM 1416 C CE2 . PHE A 1 19 ? 2.793 -9.125 -4.668 1.00 0.00 ? 19 PHE A CE2 3 ATOM 1417 C CZ . PHE A 1 19 ? 3.341 -8.699 -5.893 1.00 0.00 ? 19 PHE A CZ 3 ATOM 1418 H H . PHE A 1 19 ? 0.060 -4.472 -1.483 1.00 0.00 ? 19 PHE A H 3 ATOM 1419 H HA . PHE A 1 19 ? 1.076 -4.513 -4.291 1.00 0.00 ? 19 PHE A HA 3 ATOM 1420 H HB2 . PHE A 1 19 ? 2.953 -4.995 -2.886 1.00 0.00 ? 19 PHE A HB2 3 ATOM 1421 H HB3 . PHE A 1 19 ? 2.031 -6.207 -1.984 1.00 0.00 ? 19 PHE A HB3 3 ATOM 1422 H HD1 . PHE A 1 19 ? 3.275 -5.335 -5.368 1.00 0.00 ? 19 PHE A HD1 3 ATOM 1423 H HD2 . PHE A 1 19 ? 1.951 -8.521 -2.776 1.00 0.00 ? 19 PHE A HD2 3 ATOM 1424 H HE1 . PHE A 1 19 ? 3.900 -6.971 -7.085 1.00 0.00 ? 19 PHE A HE1 3 ATOM 1425 H HE2 . PHE A 1 19 ? 2.655 -10.181 -4.477 1.00 0.00 ? 19 PHE A HE2 3 ATOM 1426 H HZ . PHE A 1 19 ? 3.621 -9.427 -6.643 1.00 0.00 ? 19 PHE A HZ 3 ATOM 1427 N N . ASN A 1 20 ? -0.505 -6.277 -4.997 1.00 0.00 ? 20 ASN A N 3 ATOM 1428 C CA . ASN A 1 20 ? -1.494 -7.240 -5.471 1.00 0.00 ? 20 ASN A CA 3 ATOM 1429 C C . ASN A 1 20 ? -0.828 -8.587 -5.799 1.00 0.00 ? 20 ASN A C 3 ATOM 1430 O O . ASN A 1 20 ? -0.039 -8.685 -6.740 1.00 0.00 ? 20 ASN A O 3 ATOM 1431 C CB . ASN A 1 20 ? -2.236 -6.647 -6.675 1.00 0.00 ? 20 ASN A CB 3 ATOM 1432 C CG . ASN A 1 20 ? -3.494 -7.441 -6.970 1.00 0.00 ? 20 ASN A CG 3 ATOM 1433 O OD1 . ASN A 1 20 ? -3.467 -8.652 -7.132 1.00 0.00 ? 20 ASN A OD1 3 ATOM 1434 N ND2 . ASN A 1 20 ? -4.631 -6.796 -7.051 1.00 0.00 ? 20 ASN A ND2 3 ATOM 1435 H H . ASN A 1 20 ? 0.053 -5.792 -5.693 1.00 0.00 ? 20 ASN A H 3 ATOM 1436 H HA . ASN A 1 20 ? -2.228 -7.401 -4.686 1.00 0.00 ? 20 ASN A HA 3 ATOM 1437 H HB2 . ASN A 1 20 ? -2.509 -5.617 -6.456 1.00 0.00 ? 20 ASN A HB2 3 ATOM 1438 H HB3 . ASN A 1 20 ? -1.591 -6.659 -7.554 1.00 0.00 ? 20 ASN A HB3 3 ATOM 1439 H HD21 . ASN A 1 20 ? -4.659 -5.808 -6.844 1.00 0.00 ? 20 ASN A HD21 3 ATOM 1440 H HD22 . ASN A 1 20 ? -5.488 -7.323 -7.144 1.00 0.00 ? 20 ASN A HD22 3 ATOM 1441 N N . HIS A 1 21 ? -1.170 -9.641 -5.055 1.00 0.00 ? 21 HIS A N 3 ATOM 1442 C CA . HIS A 1 21 ? -0.567 -10.972 -5.232 1.00 0.00 ? 21 HIS A CA 3 ATOM 1443 C C . HIS A 1 21 ? -1.066 -11.704 -6.495 1.00 0.00 ? 21 HIS A C 3 ATOM 1444 O O . HIS A 1 21 ? -0.365 -12.572 -7.022 1.00 0.00 ? 21 HIS A O 3 ATOM 1445 C CB . HIS A 1 21 ? -0.777 -11.797 -3.948 1.00 0.00 ? 21 HIS A CB 3 ATOM 1446 C CG . HIS A 1 21 ? -2.041 -12.631 -3.910 1.00 0.00 ? 21 HIS A CG 3 ATOM 1447 N ND1 . HIS A 1 21 ? -2.181 -13.915 -4.450 1.00 0.00 ? 21 HIS A ND1 3 ATOM 1448 C CD2 . HIS A 1 21 ? -3.200 -12.302 -3.270 1.00 0.00 ? 21 HIS A CD2 3 ATOM 1449 C CE1 . HIS A 1 21 ? -3.425 -14.318 -4.140 1.00 0.00 ? 21 HIS A CE1 3 ATOM 1450 N NE2 . HIS A 1 21 ? -4.060 -13.367 -3.432 1.00 0.00 ? 21 HIS A NE2 3 ATOM 1451 H H . HIS A 1 21 ? -1.860 -9.511 -4.322 1.00 0.00 ? 21 HIS A H 3 ATOM 1452 H HA . HIS A 1 21 ? 0.507 -10.837 -5.360 1.00 0.00 ? 21 HIS A HA 3 ATOM 1453 H HB2 . HIS A 1 21 ? 0.074 -12.475 -3.853 1.00 0.00 ? 21 HIS A HB2 3 ATOM 1454 H HB3 . HIS A 1 21 ? -0.763 -11.132 -3.079 1.00 0.00 ? 21 HIS A HB3 3 ATOM 1455 H HD2 . HIS A 1 21 ? -3.397 -11.385 -2.733 1.00 0.00 ? 21 HIS A HD2 3 ATOM 1456 H HE1 . HIS A 1 21 ? -3.855 -15.276 -4.412 1.00 0.00 ? 21 HIS A HE1 3 ATOM 1457 H HE2 . HIS A 1 21 ? -5.005 -13.445 -3.066 1.00 0.00 ? 21 HIS A HE2 3 ATOM 1458 N N . ILE A 1 22 ? -2.253 -11.345 -7.002 1.00 0.00 ? 22 ILE A N 3 ATOM 1459 C CA . ILE A 1 22 ? -2.899 -11.952 -8.175 1.00 0.00 ? 22 ILE A CA 3 ATOM 1460 C C . ILE A 1 22 ? -2.345 -11.360 -9.482 1.00 0.00 ? 22 ILE A C 3 ATOM 1461 O O . ILE A 1 22 ? -2.108 -12.086 -10.451 1.00 0.00 ? 22 ILE A O 3 ATOM 1462 C CB . ILE A 1 22 ? -4.435 -11.740 -8.083 1.00 0.00 ? 22 ILE A CB 3 ATOM 1463 C CG1 . ILE A 1 22 ? -4.984 -12.268 -6.732 1.00 0.00 ? 22 ILE A CG1 3 ATOM 1464 C CG2 . ILE A 1 22 ? -5.144 -12.421 -9.268 1.00 0.00 ? 22 ILE A CG2 3 ATOM 1465 C CD1 . ILE A 1 22 ? -6.504 -12.164 -6.555 1.00 0.00 ? 22 ILE A CD1 3 ATOM 1466 H H . ILE A 1 22 ? -2.750 -10.588 -6.550 1.00 0.00 ? 22 ILE A H 3 ATOM 1467 H HA . ILE A 1 22 ? -2.698 -13.025 -8.178 1.00 0.00 ? 22 ILE A HA 3 ATOM 1468 H HB . ILE A 1 22 ? -4.643 -10.668 -8.145 1.00 0.00 ? 22 ILE A HB 3 ATOM 1469 H HG12 . ILE A 1 22 ? -4.694 -13.314 -6.609 1.00 0.00 ? 22 ILE A HG12 3 ATOM 1470 H HG13 . ILE A 1 22 ? -4.534 -11.694 -5.922 1.00 0.00 ? 22 ILE A HG13 3 ATOM 1471 H HG21 . ILE A 1 22 ? -4.776 -12.026 -10.212 1.00 0.00 ? 22 ILE A HG21 3 ATOM 1472 H HG22 . ILE A 1 22 ? -4.973 -13.497 -9.233 1.00 0.00 ? 22 ILE A HG22 3 ATOM 1473 H HG23 . ILE A 1 22 ? -6.214 -12.220 -9.235 1.00 0.00 ? 22 ILE A HG23 3 ATOM 1474 H HD11 . ILE A 1 22 ? -6.839 -11.153 -6.792 1.00 0.00 ? 22 ILE A HD11 3 ATOM 1475 H HD12 . ILE A 1 22 ? -7.013 -12.880 -7.199 1.00 0.00 ? 22 ILE A HD12 3 ATOM 1476 H HD13 . ILE A 1 22 ? -6.759 -12.390 -5.519 1.00 0.00 ? 22 ILE A HD13 3 ATOM 1477 N N . THR A 1 23 ? -2.113 -10.044 -9.498 1.00 0.00 ? 23 THR A N 3 ATOM 1478 C CA . THR A 1 23 ? -1.759 -9.247 -10.692 1.00 0.00 ? 23 THR A CA 3 ATOM 1479 C C . THR A 1 23 ? -0.329 -8.706 -10.740 1.00 0.00 ? 23 THR A C 3 ATOM 1480 O O . THR A 1 23 ? 0.097 -8.176 -11.769 1.00 0.00 ? 23 THR A O 3 ATOM 1481 C CB . THR A 1 23 ? -2.781 -8.123 -10.929 1.00 0.00 ? 23 THR A CB 3 ATOM 1482 O OG1 . THR A 1 23 ? -2.519 -7.057 -10.046 1.00 0.00 ? 23 THR A OG1 3 ATOM 1483 C CG2 . THR A 1 23 ? -4.241 -8.517 -10.706 1.00 0.00 ? 23 THR A CG2 3 ATOM 1484 H H . THR A 1 23 ? -2.361 -9.529 -8.660 1.00 0.00 ? 23 THR A H 3 ATOM 1485 H HA . THR A 1 23 ? -1.844 -9.901 -11.559 1.00 0.00 ? 23 THR A HA 3 ATOM 1486 H HB . THR A 1 23 ? -2.672 -7.762 -11.952 1.00 0.00 ? 23 THR A HB 3 ATOM 1487 H HG1 . THR A 1 23 ? -3.375 -6.651 -9.864 1.00 0.00 ? 23 THR A HG1 3 ATOM 1488 H HG21 . THR A 1 23 ? -4.889 -7.707 -11.038 1.00 0.00 ? 23 THR A HG21 3 ATOM 1489 H HG22 . THR A 1 23 ? -4.469 -9.411 -11.289 1.00 0.00 ? 23 THR A HG22 3 ATOM 1490 H HG23 . THR A 1 23 ? -4.430 -8.715 -9.652 1.00 0.00 ? 23 THR A HG23 3 ATOM 1491 N N . ASN A 1 24 ? 0.421 -8.838 -9.640 1.00 0.00 ? 24 ASN A N 3 ATOM 1492 C CA . ASN A 1 24 ? 1.749 -8.255 -9.410 1.00 0.00 ? 24 ASN A CA 3 ATOM 1493 C C . ASN A 1 24 ? 1.801 -6.708 -9.461 1.00 0.00 ? 24 ASN A C 3 ATOM 1494 O O . ASN A 1 24 ? 2.889 -6.127 -9.516 1.00 0.00 ? 24 ASN A O 3 ATOM 1495 C CB . ASN A 1 24 ? 2.816 -8.955 -10.278 1.00 0.00 ? 24 ASN A CB 3 ATOM 1496 C CG . ASN A 1 24 ? 2.876 -10.454 -10.037 1.00 0.00 ? 24 ASN A CG 3 ATOM 1497 O OD1 . ASN A 1 24 ? 3.203 -10.924 -8.956 1.00 0.00 ? 24 ASN A OD1 3 ATOM 1498 N ND2 . ASN A 1 24 ? 2.608 -11.258 -11.044 1.00 0.00 ? 24 ASN A ND2 3 ATOM 1499 H H . ASN A 1 24 ? -0.017 -9.271 -8.837 1.00 0.00 ? 24 ASN A H 3 ATOM 1500 H HA . ASN A 1 24 ? 1.997 -8.490 -8.375 1.00 0.00 ? 24 ASN A HA 3 ATOM 1501 H HB2 . ASN A 1 24 ? 2.621 -8.755 -11.334 1.00 0.00 ? 24 ASN A HB2 3 ATOM 1502 H HB3 . ASN A 1 24 ? 3.800 -8.551 -10.031 1.00 0.00 ? 24 ASN A HB3 3 ATOM 1503 H HD21 . ASN A 1 24 ? 2.350 -10.874 -11.943 1.00 0.00 ? 24 ASN A HD21 3 ATOM 1504 H HD22 . ASN A 1 24 ? 2.661 -12.256 -10.887 1.00 0.00 ? 24 ASN A HD22 3 ATOM 1505 N N . ALA A 1 25 ? 0.649 -6.023 -9.430 1.00 0.00 ? 25 ALA A N 3 ATOM 1506 C CA . ALA A 1 25 ? 0.577 -4.564 -9.314 1.00 0.00 ? 25 ALA A CA 3 ATOM 1507 C C . ALA A 1 25 ? 1.070 -4.060 -7.938 1.00 0.00 ? 25 ALA A C 3 ATOM 1508 O O . ALA A 1 25 ? 0.989 -4.772 -6.934 1.00 0.00 ? 25 ALA A O 3 ATOM 1509 C CB . ALA A 1 25 ? -0.860 -4.115 -9.608 1.00 0.00 ? 25 ALA A CB 3 ATOM 1510 H H . ALA A 1 25 ? -0.222 -6.540 -9.421 1.00 0.00 ? 25 ALA A H 3 ATOM 1511 H HA . ALA A 1 25 ? 1.225 -4.128 -10.078 1.00 0.00 ? 25 ALA A HA 3 ATOM 1512 H HB1 . ALA A 1 25 ? -1.168 -4.476 -10.590 1.00 0.00 ? 25 ALA A HB1 3 ATOM 1513 H HB2 . ALA A 1 25 ? -1.537 -4.510 -8.851 1.00 0.00 ? 25 ALA A HB2 3 ATOM 1514 H HB3 . ALA A 1 25 ? -0.914 -3.026 -9.602 1.00 0.00 ? 25 ALA A HB3 3 ATOM 1515 N N . SER A 1 26 ? 1.555 -2.816 -7.881 1.00 0.00 ? 26 SER A N 3 ATOM 1516 C CA . SER A 1 26 ? 2.098 -2.180 -6.668 1.00 0.00 ? 26 SER A CA 3 ATOM 1517 C C . SER A 1 26 ? 1.789 -0.679 -6.611 1.00 0.00 ? 26 SER A C 3 ATOM 1518 O O . SER A 1 26 ? 1.838 0.001 -7.640 1.00 0.00 ? 26 SER A O 3 ATOM 1519 C CB . SER A 1 26 ? 3.613 -2.411 -6.561 1.00 0.00 ? 26 SER A CB 3 ATOM 1520 O OG . SER A 1 26 ? 4.312 -1.927 -7.700 1.00 0.00 ? 26 SER A OG 3 ATOM 1521 H H . SER A 1 26 ? 1.587 -2.278 -8.736 1.00 0.00 ? 26 SER A H 3 ATOM 1522 H HA . SER A 1 26 ? 1.644 -2.655 -5.799 1.00 0.00 ? 26 SER A HA 3 ATOM 1523 H HB2 . SER A 1 26 ? 3.989 -1.914 -5.664 1.00 0.00 ? 26 SER A HB2 3 ATOM 1524 H HB3 . SER A 1 26 ? 3.804 -3.478 -6.460 1.00 0.00 ? 26 SER A HB3 3 ATOM 1525 H HG . SER A 1 26 ? 4.105 -0.987 -7.811 1.00 0.00 ? 26 SER A HG 3 ATOM 1526 N N . GLN A 1 27 ? 1.517 -0.145 -5.416 1.00 0.00 ? 27 GLN A N 3 ATOM 1527 C CA . GLN A 1 27 ? 1.221 1.278 -5.187 1.00 0.00 ? 27 GLN A CA 3 ATOM 1528 C C . GLN A 1 27 ? 1.622 1.755 -3.783 1.00 0.00 ? 27 GLN A C 3 ATOM 1529 O O . GLN A 1 27 ? 1.524 1.013 -2.806 1.00 0.00 ? 27 GLN A O 3 ATOM 1530 C CB . GLN A 1 27 ? -0.284 1.553 -5.411 1.00 0.00 ? 27 GLN A CB 3 ATOM 1531 C CG . GLN A 1 27 ? -0.591 2.325 -6.703 1.00 0.00 ? 27 GLN A CG 3 ATOM 1532 C CD . GLN A 1 27 ? -0.076 3.768 -6.714 1.00 0.00 ? 27 GLN A CD 3 ATOM 1533 O OE1 . GLN A 1 27 ? 0.461 4.297 -5.747 1.00 0.00 ? 27 GLN A OE1 3 ATOM 1534 N NE2 . GLN A 1 27 ? -0.218 4.471 -7.818 1.00 0.00 ? 27 GLN A NE2 3 ATOM 1535 H H . GLN A 1 27 ? 1.491 -0.761 -4.608 1.00 0.00 ? 27 GLN A H 3 ATOM 1536 H HA . GLN A 1 27 ? 1.800 1.870 -5.897 1.00 0.00 ? 27 GLN A HA 3 ATOM 1537 H HB2 . GLN A 1 27 ? -0.835 0.611 -5.425 1.00 0.00 ? 27 GLN A HB2 3 ATOM 1538 H HB3 . GLN A 1 27 ? -0.677 2.137 -4.581 1.00 0.00 ? 27 GLN A HB3 3 ATOM 1539 H HG2 . GLN A 1 27 ? -0.176 1.787 -7.553 1.00 0.00 ? 27 GLN A HG2 3 ATOM 1540 H HG3 . GLN A 1 27 ? -1.673 2.360 -6.825 1.00 0.00 ? 27 GLN A HG3 3 ATOM 1541 H HE21 . GLN A 1 27 ? -0.658 4.058 -8.631 1.00 0.00 ? 27 GLN A HE21 3 ATOM 1542 H HE22 . GLN A 1 27 ? 0.122 5.424 -7.823 1.00 0.00 ? 27 GLN A HE22 3 ATOM 1543 N N . PHE A 1 28 ? 2.039 3.018 -3.678 1.00 0.00 ? 28 PHE A N 3 ATOM 1544 C CA . PHE A 1 28 ? 2.254 3.714 -2.406 1.00 0.00 ? 28 PHE A CA 3 ATOM 1545 C C . PHE A 1 28 ? 0.979 4.294 -1.771 1.00 0.00 ? 28 PHE A C 3 ATOM 1546 O O . PHE A 1 28 ? 0.858 4.373 -0.548 1.00 0.00 ? 28 PHE A O 3 ATOM 1547 C CB . PHE A 1 28 ? 3.355 4.774 -2.557 1.00 0.00 ? 28 PHE A CB 3 ATOM 1548 C CG . PHE A 1 28 ? 4.754 4.204 -2.716 1.00 0.00 ? 28 PHE A CG 3 ATOM 1549 C CD1 . PHE A 1 28 ? 5.322 4.082 -4.000 1.00 0.00 ? 28 PHE A CD1 3 ATOM 1550 C CD2 . PHE A 1 28 ? 5.496 3.807 -1.586 1.00 0.00 ? 28 PHE A CD2 3 ATOM 1551 C CE1 . PHE A 1 28 ? 6.623 3.571 -4.155 1.00 0.00 ? 28 PHE A CE1 3 ATOM 1552 C CE2 . PHE A 1 28 ? 6.799 3.301 -1.742 1.00 0.00 ? 28 PHE A CE2 3 ATOM 1553 C CZ . PHE A 1 28 ? 7.364 3.183 -3.025 1.00 0.00 ? 28 PHE A CZ 3 ATOM 1554 H H . PHE A 1 28 ? 2.046 3.578 -4.522 1.00 0.00 ? 28 PHE A H 3 ATOM 1555 H HA . PHE A 1 28 ? 2.627 2.986 -1.685 1.00 0.00 ? 28 PHE A HA 3 ATOM 1556 H HB2 . PHE A 1 28 ? 3.119 5.417 -3.410 1.00 0.00 ? 28 PHE A HB2 3 ATOM 1557 H HB3 . PHE A 1 28 ? 3.356 5.396 -1.658 1.00 0.00 ? 28 PHE A HB3 3 ATOM 1558 H HD1 . PHE A 1 28 ? 4.758 4.384 -4.873 1.00 0.00 ? 28 PHE A HD1 3 ATOM 1559 H HD2 . PHE A 1 28 ? 5.069 3.893 -0.596 1.00 0.00 ? 28 PHE A HD2 3 ATOM 1560 H HE1 . PHE A 1 28 ? 7.056 3.480 -5.142 1.00 0.00 ? 28 PHE A HE1 3 ATOM 1561 H HE2 . PHE A 1 28 ? 7.368 3.001 -0.873 1.00 0.00 ? 28 PHE A HE2 3 ATOM 1562 H HZ . PHE A 1 28 ? 8.366 2.792 -3.143 1.00 0.00 ? 28 PHE A HZ 3 ATOM 1563 N N . GLU A 1 29 ? 0.013 4.679 -2.612 1.00 0.00 ? 29 GLU A N 3 ATOM 1564 C CA . GLU A 1 29 ? -1.338 5.108 -2.219 1.00 0.00 ? 29 GLU A CA 3 ATOM 1565 C C . GLU A 1 29 ? -2.275 3.906 -2.000 1.00 0.00 ? 29 GLU A C 3 ATOM 1566 O O . GLU A 1 29 ? -2.156 2.892 -2.692 1.00 0.00 ? 29 GLU A O 3 ATOM 1567 C CB . GLU A 1 29 ? -1.873 6.078 -3.293 1.00 0.00 ? 29 GLU A CB 3 ATOM 1568 C CG . GLU A 1 29 ? -3.368 6.458 -3.261 1.00 0.00 ? 29 GLU A CG 3 ATOM 1569 C CD . GLU A 1 29 ? -3.871 7.148 -1.974 1.00 0.00 ? 29 GLU A CD 3 ATOM 1570 O OE1 . GLU A 1 29 ? -3.204 7.089 -0.913 1.00 0.00 ? 29 GLU A OE1 3 ATOM 1571 O OE2 . GLU A 1 29 ? -4.970 7.754 -2.014 1.00 0.00 ? 29 GLU A OE2 3 ATOM 1572 H H . GLU A 1 29 ? 0.181 4.551 -3.604 1.00 0.00 ? 29 GLU A H 3 ATOM 1573 H HA . GLU A 1 29 ? -1.267 5.646 -1.275 1.00 0.00 ? 29 GLU A HA 3 ATOM 1574 H HB2 . GLU A 1 29 ? -1.285 6.995 -3.249 1.00 0.00 ? 29 GLU A HB2 3 ATOM 1575 H HB3 . GLU A 1 29 ? -1.691 5.622 -4.269 1.00 0.00 ? 29 GLU A HB3 3 ATOM 1576 H HG2 . GLU A 1 29 ? -3.552 7.124 -4.108 1.00 0.00 ? 29 GLU A HG2 3 ATOM 1577 H HG3 . GLU A 1 29 ? -3.959 5.558 -3.437 1.00 0.00 ? 29 GLU A HG3 3 ATOM 1578 N N . ARG A 1 30 ? -3.231 4.010 -1.064 1.00 0.00 ? 30 ARG A N 3 ATOM 1579 C CA . ARG A 1 30 ? -4.201 2.937 -0.785 1.00 0.00 ? 30 ARG A CA 3 ATOM 1580 C C . ARG A 1 30 ? -5.053 2.622 -2.038 1.00 0.00 ? 30 ARG A C 3 ATOM 1581 O O . ARG A 1 30 ? -5.721 3.530 -2.546 1.00 0.00 ? 30 ARG A O 3 ATOM 1582 C CB . ARG A 1 30 ? -5.021 3.281 0.474 1.00 0.00 ? 30 ARG A CB 3 ATOM 1583 C CG . ARG A 1 30 ? -6.068 2.211 0.842 1.00 0.00 ? 30 ARG A CG 3 ATOM 1584 C CD . ARG A 1 30 ? -7.458 2.507 0.257 1.00 0.00 ? 30 ARG A CD 3 ATOM 1585 N NE . ARG A 1 30 ? -8.172 1.278 -0.131 1.00 0.00 ? 30 ARG A NE 3 ATOM 1586 C CZ . ARG A 1 30 ? -9.028 0.568 0.580 1.00 0.00 ? 30 ARG A CZ 3 ATOM 1587 N NH1 . ARG A 1 30 ? -9.691 -0.399 0.016 1.00 0.00 ? 30 ARG A NH1 3 ATOM 1588 N NH2 . ARG A 1 30 ? -9.242 0.790 1.846 1.00 0.00 ? 30 ARG A NH2 3 ATOM 1589 H H . ARG A 1 30 ? -3.304 4.885 -0.554 1.00 0.00 ? 30 ARG A H 3 ATOM 1590 H HA . ARG A 1 30 ? -3.618 2.053 -0.537 1.00 0.00 ? 30 ARG A HA 3 ATOM 1591 H HB2 . ARG A 1 30 ? -4.320 3.364 1.306 1.00 0.00 ? 30 ARG A HB2 3 ATOM 1592 H HB3 . ARG A 1 30 ? -5.509 4.249 0.353 1.00 0.00 ? 30 ARG A HB3 3 ATOM 1593 H HG2 . ARG A 1 30 ? -5.716 1.237 0.500 1.00 0.00 ? 30 ARG A HG2 3 ATOM 1594 H HG3 . ARG A 1 30 ? -6.164 2.175 1.930 1.00 0.00 ? 30 ARG A HG3 3 ATOM 1595 H HD2 . ARG A 1 30 ? -8.039 3.087 0.977 1.00 0.00 ? 30 ARG A HD2 3 ATOM 1596 H HD3 . ARG A 1 30 ? -7.355 3.125 -0.635 1.00 0.00 ? 30 ARG A HD3 3 ATOM 1597 H HE . ARG A 1 30 ? -8.061 0.987 -1.098 1.00 0.00 ? 30 ARG A HE 3 ATOM 1598 H HH11 . ARG A 1 30 ? -10.341 -0.954 0.552 1.00 0.00 ? 30 ARG A HH11 3 ATOM 1599 H HH12 . ARG A 1 30 ? -9.605 -0.538 -0.977 1.00 0.00 ? 30 ARG A HH12 3 ATOM 1600 H HH21 . ARG A 1 30 ? -8.737 1.528 2.309 1.00 0.00 ? 30 ARG A HH21 3 ATOM 1601 H HH22 . ARG A 1 30 ? -9.916 0.241 2.354 1.00 0.00 ? 30 ARG A HH22 3 ATOM 1602 N N . PRO A 1 31 ? -5.036 1.380 -2.565 1.00 0.00 ? 31 PRO A N 3 ATOM 1603 C CA . PRO A 1 31 ? -5.648 1.028 -3.850 1.00 0.00 ? 31 PRO A CA 3 ATOM 1604 C C . PRO A 1 31 ? -7.183 0.998 -3.810 1.00 0.00 ? 31 PRO A C 3 ATOM 1605 O O . PRO A 1 31 ? -7.785 0.538 -2.836 1.00 0.00 ? 31 PRO A O 3 ATOM 1606 C CB . PRO A 1 31 ? -5.069 -0.346 -4.218 1.00 0.00 ? 31 PRO A CB 3 ATOM 1607 C CG . PRO A 1 31 ? -4.749 -0.958 -2.856 1.00 0.00 ? 31 PRO A CG 3 ATOM 1608 C CD . PRO A 1 31 ? -4.274 0.249 -2.061 1.00 0.00 ? 31 PRO A CD 3 ATOM 1609 H HA . PRO A 1 31 ? -5.336 1.750 -4.606 1.00 0.00 ? 31 PRO A HA 3 ATOM 1610 H HB2 . PRO A 1 31 ? -5.774 -0.961 -4.780 1.00 0.00 ? 31 PRO A HB2 3 ATOM 1611 H HB3 . PRO A 1 31 ? -4.143 -0.215 -4.782 1.00 0.00 ? 31 PRO A HB3 3 ATOM 1612 H HG2 . PRO A 1 31 ? -5.656 -1.358 -2.405 1.00 0.00 ? 31 PRO A HG2 3 ATOM 1613 H HG3 . PRO A 1 31 ? -3.974 -1.720 -2.913 1.00 0.00 ? 31 PRO A HG3 3 ATOM 1614 H HD2 . PRO A 1 31 ? -4.442 0.091 -0.996 1.00 0.00 ? 31 PRO A HD2 3 ATOM 1615 H HD3 . PRO A 1 31 ? -3.215 0.417 -2.256 1.00 0.00 ? 31 PRO A HD3 3 ATOM 1616 N N . SER A 1 32 ? -7.817 1.443 -4.899 1.00 0.00 ? 32 SER A N 3 ATOM 1617 C CA . SER A 1 32 ? -9.281 1.399 -5.094 1.00 0.00 ? 32 SER A CA 3 ATOM 1618 C C . SER A 1 32 ? -9.777 0.152 -5.849 1.00 0.00 ? 32 SER A C 3 ATOM 1619 O O . SER A 1 32 ? -10.951 -0.208 -5.733 1.00 0.00 ? 32 SER A O 3 ATOM 1620 C CB . SER A 1 32 ? -9.745 2.654 -5.846 1.00 0.00 ? 32 SER A CB 3 ATOM 1621 O OG . SER A 1 32 ? -9.505 3.819 -5.071 1.00 0.00 ? 32 SER A OG 3 ATOM 1622 H H . SER A 1 32 ? -7.260 1.857 -5.633 1.00 0.00 ? 32 SER A H 3 ATOM 1623 H HA . SER A 1 32 ? -9.773 1.400 -4.121 1.00 0.00 ? 32 SER A HA 3 ATOM 1624 H HB2 . SER A 1 32 ? -9.218 2.726 -6.799 1.00 0.00 ? 32 SER A HB2 3 ATOM 1625 H HB3 . SER A 1 32 ? -10.816 2.577 -6.044 1.00 0.00 ? 32 SER A HB3 3 ATOM 1626 H HG . SER A 1 32 ? -9.813 4.584 -5.580 1.00 0.00 ? 32 SER A HG 3 ATOM 1627 N N . GLY A 1 33 ? -8.901 -0.512 -6.617 1.00 0.00 ? 33 GLY A N 3 ATOM 1628 C CA . GLY A 1 33 ? -9.209 -1.694 -7.441 1.00 0.00 ? 33 GLY A CA 3 ATOM 1629 C C . GLY A 1 33 ? -8.034 -2.140 -8.307 1.00 0.00 ? 33 GLY A C 3 ATOM 1630 O O . GLY A 1 33 ? -7.636 -1.364 -9.206 1.00 0.00 ? 33 GLY A O 3 ATOM 1631 O OXT . GLY A 1 33 ? -7.523 -3.257 -8.081 1.00 0.00 ? 33 GLY A OXT 3 ATOM 1632 H H . GLY A 1 33 ? -7.958 -0.152 -6.661 1.00 0.00 ? 33 GLY A H 3 ATOM 1633 H HA2 . GLY A 1 33 ? -9.496 -2.524 -6.798 1.00 0.00 ? 33 GLY A HA2 3 ATOM 1634 H HA3 . GLY A 1 33 ? -10.046 -1.472 -8.102 1.00 0.00 ? 33 GLY A HA3 3 HETATM 1635 C C1 . GAL B 2 . ? 12.629 2.150 0.189 1.00 0.00 ? 101 GAL A C1 3 HETATM 1636 C C2 . GAL B 2 . ? 12.352 3.628 -0.174 1.00 0.00 ? 101 GAL A C2 3 HETATM 1637 C C3 . GAL B 2 . ? 11.397 3.705 -1.379 1.00 0.00 ? 101 GAL A C3 3 HETATM 1638 C C4 . GAL B 2 . ? 11.937 2.898 -2.574 1.00 0.00 ? 101 GAL A C4 3 HETATM 1639 C C5 . GAL B 2 . ? 12.212 1.440 -2.151 1.00 0.00 ? 101 GAL A C5 3 HETATM 1640 C C6 . GAL B 2 . ? 12.773 0.544 -3.268 1.00 0.00 ? 101 GAL A C6 3 HETATM 1641 O O2 . GAL B 2 . ? 11.738 4.318 0.949 1.00 0.00 ? 101 GAL A O2 3 HETATM 1642 O O3 . GAL B 2 . ? 11.230 5.093 -1.782 1.00 0.00 ? 101 GAL A O3 3 HETATM 1643 O O4 . GAL B 2 . ? 13.163 3.517 -3.037 1.00 0.00 ? 101 GAL A O4 3 HETATM 1644 O O5 . GAL B 2 . ? 13.128 1.422 -0.983 1.00 0.00 ? 101 GAL A O5 3 HETATM 1645 O O6 . GAL B 2 . ? 14.091 0.991 -3.640 1.00 0.00 ? 101 GAL A O6 3 HETATM 1646 H H1 . GAL B 2 . ? 11.708 1.674 0.527 1.00 0.00 ? 101 GAL A H1 3 HETATM 1647 H H2 . GAL B 2 . ? 13.294 4.125 -0.415 1.00 0.00 ? 101 GAL A H2 3 HETATM 1648 H H3 . GAL B 2 . ? 10.424 3.304 -1.090 1.00 0.00 ? 101 GAL A H3 3 HETATM 1649 H H4 . GAL B 2 . ? 11.206 2.913 -3.383 1.00 0.00 ? 101 GAL A H4 3 HETATM 1650 H H5 . GAL B 2 . ? 11.264 1.010 -1.839 1.00 0.00 ? 101 GAL A H5 3 HETATM 1651 H H61 . GAL B 2 . ? 12.832 -0.492 -2.925 1.00 0.00 ? 101 GAL A H61 3 HETATM 1652 H H62 . GAL B 2 . ? 12.117 0.588 -4.140 1.00 0.00 ? 101 GAL A H62 3 HETATM 1653 H HO2 . GAL B 2 . ? 11.553 5.219 0.641 1.00 0.00 ? 101 GAL A HO2 3 HETATM 1654 H HO3 . GAL B 2 . ? 10.470 5.162 -2.381 1.00 0.00 ? 101 GAL A HO3 3 HETATM 1655 H HO4 . GAL B 2 . ? 12.997 4.469 -3.137 1.00 0.00 ? 101 GAL A HO4 3 HETATM 1656 H HO6 . GAL B 2 . ? 14.069 1.960 -3.529 1.00 0.00 ? 101 GAL A HO6 3 ATOM 1657 N N . LYS A 1 1 ? -11.028 -4.796 4.192 1.00 0.00 ? 1 LYS A N 4 ATOM 1658 C CA . LYS A 1 1 ? -9.933 -3.784 4.208 1.00 0.00 ? 1 LYS A CA 4 ATOM 1659 C C . LYS A 1 1 ? -9.542 -3.301 2.804 1.00 0.00 ? 1 LYS A C 4 ATOM 1660 O O . LYS A 1 1 ? -9.625 -2.101 2.533 1.00 0.00 ? 1 LYS A O 4 ATOM 1661 C CB . LYS A 1 1 ? -8.709 -4.217 5.057 1.00 0.00 ? 1 LYS A CB 4 ATOM 1662 C CG . LYS A 1 1 ? -8.032 -5.546 4.664 1.00 0.00 ? 1 LYS A CG 4 ATOM 1663 C CD . LYS A 1 1 ? -6.760 -5.806 5.484 1.00 0.00 ? 1 LYS A CD 4 ATOM 1664 C CE . LYS A 1 1 ? -6.084 -7.077 4.958 1.00 0.00 ? 1 LYS A CE 4 ATOM 1665 N NZ . LYS A 1 1 ? -4.788 -7.340 5.629 1.00 0.00 ? 1 LYS A NZ 4 ATOM 1666 H H1 . LYS A 1 1 ? -10.732 -5.659 3.762 1.00 0.00 ? 1 LYS A H1 4 ATOM 1667 H H2 . LYS A 1 1 ? -11.831 -4.445 3.690 1.00 0.00 ? 1 LYS A H2 4 ATOM 1668 H H3 . LYS A 1 1 ? -11.322 -5.002 5.136 1.00 0.00 ? 1 LYS A H3 4 ATOM 1669 H HA . LYS A 1 1 ? -10.336 -2.896 4.696 1.00 0.00 ? 1 LYS A HA 4 ATOM 1670 H HB2 . LYS A 1 1 ? -7.966 -3.419 5.008 1.00 0.00 ? 1 LYS A HB2 4 ATOM 1671 H HB3 . LYS A 1 1 ? -9.029 -4.296 6.098 1.00 0.00 ? 1 LYS A HB3 4 ATOM 1672 H HG2 . LYS A 1 1 ? -8.728 -6.372 4.815 1.00 0.00 ? 1 LYS A HG2 4 ATOM 1673 H HG3 . LYS A 1 1 ? -7.741 -5.520 3.617 1.00 0.00 ? 1 LYS A HG3 4 ATOM 1674 H HD2 . LYS A 1 1 ? -6.078 -4.961 5.373 1.00 0.00 ? 1 LYS A HD2 4 ATOM 1675 H HD3 . LYS A 1 1 ? -7.017 -5.928 6.538 1.00 0.00 ? 1 LYS A HD3 4 ATOM 1676 H HE2 . LYS A 1 1 ? -6.757 -7.927 5.104 1.00 0.00 ? 1 LYS A HE2 4 ATOM 1677 H HE3 . LYS A 1 1 ? -5.915 -6.966 3.884 1.00 0.00 ? 1 LYS A HE3 4 ATOM 1678 H HZ1 . LYS A 1 1 ? -4.152 -6.564 5.520 1.00 0.00 ? 1 LYS A HZ1 4 ATOM 1679 H HZ2 . LYS A 1 1 ? -4.903 -7.536 6.612 1.00 0.00 ? 1 LYS A HZ2 4 ATOM 1680 H HZ3 . LYS A 1 1 ? -4.331 -8.140 5.188 1.00 0.00 ? 1 LYS A HZ3 4 ATOM 1681 N N . LEU A 1 2 ? -9.103 -4.198 1.912 1.00 0.00 ? 2 LEU A N 4 ATOM 1682 C CA . LEU A 1 2 ? -8.494 -3.897 0.604 1.00 0.00 ? 2 LEU A CA 4 ATOM 1683 C C . LEU A 1 2 ? -9.256 -4.582 -0.559 1.00 0.00 ? 2 LEU A C 4 ATOM 1684 O O . LEU A 1 2 ? -10.007 -5.533 -0.307 1.00 0.00 ? 2 LEU A O 4 ATOM 1685 C CB . LEU A 1 2 ? -7.012 -4.330 0.646 1.00 0.00 ? 2 LEU A CB 4 ATOM 1686 C CG . LEU A 1 2 ? -6.116 -3.511 1.595 1.00 0.00 ? 2 LEU A CG 4 ATOM 1687 C CD1 . LEU A 1 2 ? -4.771 -4.214 1.780 1.00 0.00 ? 2 LEU A CD1 4 ATOM 1688 C CD2 . LEU A 1 2 ? -5.833 -2.116 1.038 1.00 0.00 ? 2 LEU A CD2 4 ATOM 1689 H H . LEU A 1 2 ? -9.118 -5.174 2.171 1.00 0.00 ? 2 LEU A H 4 ATOM 1690 H HA . LEU A 1 2 ? -8.537 -2.826 0.433 1.00 0.00 ? 2 LEU A HA 4 ATOM 1691 H HB2 . LEU A 1 2 ? -6.975 -5.382 0.941 1.00 0.00 ? 2 LEU A HB2 4 ATOM 1692 H HB3 . LEU A 1 2 ? -6.593 -4.244 -0.355 1.00 0.00 ? 2 LEU A HB3 4 ATOM 1693 H HG . LEU A 1 2 ? -6.589 -3.419 2.571 1.00 0.00 ? 2 LEU A HG 4 ATOM 1694 H HD11 . LEU A 1 2 ? -4.267 -4.315 0.820 1.00 0.00 ? 2 LEU A HD11 4 ATOM 1695 H HD12 . LEU A 1 2 ? -4.143 -3.639 2.460 1.00 0.00 ? 2 LEU A HD12 4 ATOM 1696 H HD13 . LEU A 1 2 ? -4.933 -5.203 2.209 1.00 0.00 ? 2 LEU A HD13 4 ATOM 1697 H HD21 . LEU A 1 2 ? -5.228 -1.555 1.748 1.00 0.00 ? 2 LEU A HD21 4 ATOM 1698 H HD22 . LEU A 1 2 ? -5.293 -2.199 0.096 1.00 0.00 ? 2 LEU A HD22 4 ATOM 1699 H HD23 . LEU A 1 2 ? -6.762 -1.575 0.879 1.00 0.00 ? 2 LEU A HD23 4 ATOM 1700 N N . PRO A 1 3 ? -9.088 -4.134 -1.822 1.00 0.00 ? 3 PRO A N 4 ATOM 1701 C CA . PRO A 1 3 ? -9.746 -4.738 -2.988 1.00 0.00 ? 3 PRO A CA 4 ATOM 1702 C C . PRO A 1 3 ? -9.191 -6.143 -3.327 1.00 0.00 ? 3 PRO A C 4 ATOM 1703 O O . PRO A 1 3 ? -8.175 -6.558 -2.755 1.00 0.00 ? 3 PRO A O 4 ATOM 1704 C CB . PRO A 1 3 ? -9.554 -3.745 -4.147 1.00 0.00 ? 3 PRO A CB 4 ATOM 1705 C CG . PRO A 1 3 ? -8.993 -2.477 -3.507 1.00 0.00 ? 3 PRO A CG 4 ATOM 1706 C CD . PRO A 1 3 ? -8.298 -2.991 -2.255 1.00 0.00 ? 3 PRO A CD 4 ATOM 1707 H HA . PRO A 1 3 ? -10.812 -4.822 -2.774 1.00 0.00 ? 3 PRO A HA 4 ATOM 1708 H HB2 . PRO A 1 3 ? -8.836 -4.132 -4.871 1.00 0.00 ? 3 PRO A HB2 4 ATOM 1709 H HB3 . PRO A 1 3 ? -10.504 -3.536 -4.644 1.00 0.00 ? 3 PRO A HB3 4 ATOM 1710 H HG2 . PRO A 1 3 ? -8.293 -1.970 -4.169 1.00 0.00 ? 3 PRO A HG2 4 ATOM 1711 H HG3 . PRO A 1 3 ? -9.812 -1.815 -3.223 1.00 0.00 ? 3 PRO A HG3 4 ATOM 1712 H HD2 . PRO A 1 3 ? -7.293 -3.325 -2.513 1.00 0.00 ? 3 PRO A HD2 4 ATOM 1713 H HD3 . PRO A 1 3 ? -8.251 -2.198 -1.511 1.00 0.00 ? 3 PRO A HD3 4 ATOM 1714 N N . PRO A 1 4 ? -9.805 -6.888 -4.271 1.00 0.00 ? 4 PRO A N 4 ATOM 1715 C CA . PRO A 1 4 ? -9.407 -8.258 -4.609 1.00 0.00 ? 4 PRO A CA 4 ATOM 1716 C C . PRO A 1 4 ? -7.914 -8.414 -4.956 1.00 0.00 ? 4 PRO A C 4 ATOM 1717 O O . PRO A 1 4 ? -7.385 -7.750 -5.852 1.00 0.00 ? 4 PRO A O 4 ATOM 1718 C CB . PRO A 1 4 ? -10.317 -8.678 -5.769 1.00 0.00 ? 4 PRO A CB 4 ATOM 1719 C CG . PRO A 1 4 ? -11.581 -7.860 -5.520 1.00 0.00 ? 4 PRO A CG 4 ATOM 1720 C CD . PRO A 1 4 ? -11.026 -6.540 -4.988 1.00 0.00 ? 4 PRO A CD 4 ATOM 1721 H HA . PRO A 1 4 ? -9.639 -8.890 -3.751 1.00 0.00 ? 4 PRO A HA 4 ATOM 1722 H HB2 . PRO A 1 4 ? -9.879 -8.382 -6.725 1.00 0.00 ? 4 PRO A HB2 4 ATOM 1723 H HB3 . PRO A 1 4 ? -10.519 -9.750 -5.756 1.00 0.00 ? 4 PRO A HB3 4 ATOM 1724 H HG2 . PRO A 1 4 ? -12.160 -7.716 -6.433 1.00 0.00 ? 4 PRO A HG2 4 ATOM 1725 H HG3 . PRO A 1 4 ? -12.186 -8.342 -4.749 1.00 0.00 ? 4 PRO A HG3 4 ATOM 1726 H HD2 . PRO A 1 4 ? -10.779 -5.883 -5.824 1.00 0.00 ? 4 PRO A HD2 4 ATOM 1727 H HD3 . PRO A 1 4 ? -11.761 -6.067 -4.336 1.00 0.00 ? 4 PRO A HD3 4 ATOM 1728 N N . GLY A 1 5 ? -7.236 -9.311 -4.233 1.00 0.00 ? 5 GLY A N 4 ATOM 1729 C CA . GLY A 1 5 ? -5.813 -9.633 -4.395 1.00 0.00 ? 5 GLY A CA 4 ATOM 1730 C C . GLY A 1 5 ? -4.821 -8.695 -3.696 1.00 0.00 ? 5 GLY A C 4 ATOM 1731 O O . GLY A 1 5 ? -3.648 -9.053 -3.579 1.00 0.00 ? 5 GLY A O 4 ATOM 1732 H H . GLY A 1 5 ? -7.742 -9.808 -3.513 1.00 0.00 ? 5 GLY A H 4 ATOM 1733 H HA2 . GLY A 1 5 ? -5.642 -10.641 -4.011 1.00 0.00 ? 5 GLY A HA2 4 ATOM 1734 H HA3 . GLY A 1 5 ? -5.572 -9.617 -5.459 1.00 0.00 ? 5 GLY A HA3 4 ATOM 1735 N N . TRP A 1 6 ? -5.248 -7.523 -3.212 1.00 0.00 ? 6 TRP A N 4 ATOM 1736 C CA . TRP A 1 6 ? -4.378 -6.554 -2.533 1.00 0.00 ? 6 TRP A CA 4 ATOM 1737 C C . TRP A 1 6 ? -4.037 -6.911 -1.076 1.00 0.00 ? 6 TRP A C 4 ATOM 1738 O O . TRP A 1 6 ? -4.895 -7.353 -0.308 1.00 0.00 ? 6 TRP A O 4 ATOM 1739 C CB . TRP A 1 6 ? -4.975 -5.147 -2.609 1.00 0.00 ? 6 TRP A CB 4 ATOM 1740 C CG . TRP A 1 6 ? -4.986 -4.496 -3.958 1.00 0.00 ? 6 TRP A CG 4 ATOM 1741 C CD1 . TRP A 1 6 ? -5.973 -4.620 -4.872 1.00 0.00 ? 6 TRP A CD1 4 ATOM 1742 C CD2 . TRP A 1 6 ? -3.893 -3.825 -4.660 1.00 0.00 ? 6 TRP A CD2 4 ATOM 1743 N NE1 . TRP A 1 6 ? -5.634 -3.948 -6.027 1.00 0.00 ? 6 TRP A NE1 4 ATOM 1744 C CE2 . TRP A 1 6 ? -4.340 -3.485 -5.973 1.00 0.00 ? 6 TRP A CE2 4 ATOM 1745 C CE3 . TRP A 1 6 ? -2.573 -3.457 -4.318 1.00 0.00 ? 6 TRP A CE3 4 ATOM 1746 C CZ2 . TRP A 1 6 ? -3.516 -2.846 -6.907 1.00 0.00 ? 6 TRP A CZ2 4 ATOM 1747 C CZ3 . TRP A 1 6 ? -1.741 -2.794 -5.242 1.00 0.00 ? 6 TRP A CZ3 4 ATOM 1748 C CH2 . TRP A 1 6 ? -2.206 -2.492 -6.536 1.00 0.00 ? 6 TRP A CH2 4 ATOM 1749 H H . TRP A 1 6 ? -6.232 -7.299 -3.293 1.00 0.00 ? 6 TRP A H 4 ATOM 1750 H HA . TRP A 1 6 ? -3.433 -6.517 -3.071 1.00 0.00 ? 6 TRP A HA 4 ATOM 1751 H HB2 . TRP A 1 6 ? -6.000 -5.195 -2.243 1.00 0.00 ? 6 TRP A HB2 4 ATOM 1752 H HB3 . TRP A 1 6 ? -4.405 -4.495 -1.944 1.00 0.00 ? 6 TRP A HB3 4 ATOM 1753 H HD1 . TRP A 1 6 ? -6.903 -5.147 -4.705 1.00 0.00 ? 6 TRP A HD1 4 ATOM 1754 H HE1 . TRP A 1 6 ? -6.286 -3.797 -6.805 1.00 0.00 ? 6 TRP A HE1 4 ATOM 1755 H HE3 . TRP A 1 6 ? -2.210 -3.684 -3.326 1.00 0.00 ? 6 TRP A HE3 4 ATOM 1756 H HZ2 . TRP A 1 6 ? -3.890 -2.645 -7.901 1.00 0.00 ? 6 TRP A HZ2 4 ATOM 1757 H HZ3 . TRP A 1 6 ? -0.736 -2.515 -4.960 1.00 0.00 ? 6 TRP A HZ3 4 ATOM 1758 H HH2 . TRP A 1 6 ? -1.556 -1.992 -7.243 1.00 0.00 ? 6 TRP A HH2 4 ATOM 1759 N N . GLU A 1 7 ? -2.796 -6.639 -0.676 1.00 0.00 ? 7 GLU A N 4 ATOM 1760 C CA . GLU A 1 7 ? -2.276 -6.731 0.695 1.00 0.00 ? 7 GLU A CA 4 ATOM 1761 C C . GLU A 1 7 ? -1.210 -5.657 0.979 1.00 0.00 ? 7 GLU A C 4 ATOM 1762 O O . GLU A 1 7 ? -0.627 -5.079 0.056 1.00 0.00 ? 7 GLU A O 4 ATOM 1763 C CB . GLU A 1 7 ? -1.693 -8.138 0.964 1.00 0.00 ? 7 GLU A CB 4 ATOM 1764 C CG . GLU A 1 7 ? -2.622 -9.066 1.762 1.00 0.00 ? 7 GLU A CG 4 ATOM 1765 C CD . GLU A 1 7 ? -2.936 -8.580 3.194 1.00 0.00 ? 7 GLU A CD 4 ATOM 1766 O OE1 . GLU A 1 7 ? -3.682 -9.282 3.917 1.00 0.00 ? 7 GLU A OE1 4 ATOM 1767 O OE2 . GLU A 1 7 ? -2.471 -7.496 3.624 1.00 0.00 ? 7 GLU A OE2 4 ATOM 1768 H H . GLU A 1 7 ? -2.132 -6.339 -1.383 1.00 0.00 ? 7 GLU A H 4 ATOM 1769 H HA . GLU A 1 7 ? -3.094 -6.545 1.390 1.00 0.00 ? 7 GLU A HA 4 ATOM 1770 H HB2 . GLU A 1 7 ? -1.447 -8.619 0.015 1.00 0.00 ? 7 GLU A HB2 4 ATOM 1771 H HB3 . GLU A 1 7 ? -0.757 -8.053 1.518 1.00 0.00 ? 7 GLU A HB3 4 ATOM 1772 H HG2 . GLU A 1 7 ? -3.554 -9.194 1.208 1.00 0.00 ? 7 GLU A HG2 4 ATOM 1773 H HG3 . GLU A 1 7 ? -2.142 -10.046 1.823 1.00 0.00 ? 7 GLU A HG3 4 ATOM 1774 N N . LYS A 1 8 ? -0.930 -5.403 2.263 1.00 0.00 ? 8 LYS A N 4 ATOM 1775 C CA . LYS A 1 8 ? 0.207 -4.572 2.696 1.00 0.00 ? 8 LYS A CA 4 ATOM 1776 C C . LYS A 1 8 ? 1.545 -5.292 2.534 1.00 0.00 ? 8 LYS A C 4 ATOM 1777 O O . LYS A 1 8 ? 1.643 -6.512 2.705 1.00 0.00 ? 8 LYS A O 4 ATOM 1778 C CB . LYS A 1 8 ? 0.021 -4.033 4.122 1.00 0.00 ? 8 LYS A CB 4 ATOM 1779 C CG . LYS A 1 8 ? -0.912 -2.815 4.107 1.00 0.00 ? 8 LYS A CG 4 ATOM 1780 C CD . LYS A 1 8 ? -1.170 -2.238 5.507 1.00 0.00 ? 8 LYS A CD 4 ATOM 1781 C CE . LYS A 1 8 ? 0.074 -1.533 6.068 1.00 0.00 ? 8 LYS A CE 4 ATOM 1782 N NZ . LYS A 1 8 ? -0.186 -0.968 7.418 1.00 0.00 ? 8 LYS A NZ 4 ATOM 1783 H H . LYS A 1 8 ? -1.426 -5.953 2.963 1.00 0.00 ? 8 LYS A H 4 ATOM 1784 H HA . LYS A 1 8 ? 0.260 -3.709 2.028 1.00 0.00 ? 8 LYS A HA 4 ATOM 1785 H HB2 . LYS A 1 8 ? -0.383 -4.815 4.767 1.00 0.00 ? 8 LYS A HB2 4 ATOM 1786 H HB3 . LYS A 1 8 ? 0.990 -3.723 4.516 1.00 0.00 ? 8 LYS A HB3 4 ATOM 1787 H HG2 . LYS A 1 8 ? -0.471 -2.034 3.482 1.00 0.00 ? 8 LYS A HG2 4 ATOM 1788 H HG3 . LYS A 1 8 ? -1.862 -3.119 3.668 1.00 0.00 ? 8 LYS A HG3 4 ATOM 1789 H HD2 . LYS A 1 8 ? -1.983 -1.514 5.435 1.00 0.00 ? 8 LYS A HD2 4 ATOM 1790 H HD3 . LYS A 1 8 ? -1.481 -3.040 6.179 1.00 0.00 ? 8 LYS A HD3 4 ATOM 1791 H HE2 . LYS A 1 8 ? 0.905 -2.241 6.119 1.00 0.00 ? 8 LYS A HE2 4 ATOM 1792 H HE3 . LYS A 1 8 ? 0.360 -0.732 5.380 1.00 0.00 ? 8 LYS A HE3 4 ATOM 1793 H HZ1 . LYS A 1 8 ? -0.936 -0.290 7.395 1.00 0.00 ? 8 LYS A HZ1 4 ATOM 1794 H HZ2 . LYS A 1 8 ? -0.443 -1.693 8.076 1.00 0.00 ? 8 LYS A HZ2 4 ATOM 1795 H HZ3 . LYS A 1 8 ? 0.635 -0.503 7.783 1.00 0.00 ? 8 LYS A HZ3 4 ATOM 1796 N N . ARG A 1 9 ? 2.576 -4.524 2.194 1.00 0.00 ? 9 ARG A N 4 ATOM 1797 C CA . ARG A 1 9 ? 3.950 -4.968 1.893 1.00 0.00 ? 9 ARG A CA 4 ATOM 1798 C C . ARG A 1 9 ? 4.964 -3.941 2.420 1.00 0.00 ? 9 ARG A C 4 ATOM 1799 O O . ARG A 1 9 ? 4.586 -2.827 2.789 1.00 0.00 ? 9 ARG A O 4 ATOM 1800 C CB . ARG A 1 9 ? 4.060 -5.170 0.365 1.00 0.00 ? 9 ARG A CB 4 ATOM 1801 C CG . ARG A 1 9 ? 4.956 -6.348 -0.062 1.00 0.00 ? 9 ARG A CG 4 ATOM 1802 C CD . ARG A 1 9 ? 4.226 -7.701 -0.138 1.00 0.00 ? 9 ARG A CD 4 ATOM 1803 N NE . ARG A 1 9 ? 3.509 -8.031 1.108 1.00 0.00 ? 9 ARG A NE 4 ATOM 1804 C CZ . ARG A 1 9 ? 3.627 -9.091 1.885 1.00 0.00 ? 9 ARG A CZ 4 ATOM 1805 N NH1 . ARG A 1 9 ? 4.461 -10.063 1.647 1.00 0.00 ? 9 ARG A NH1 4 ATOM 1806 N NH2 . ARG A 1 9 ? 2.880 -9.172 2.945 1.00 0.00 ? 9 ARG A NH2 4 ATOM 1807 H H . ARG A 1 9 ? 2.376 -3.533 2.081 1.00 0.00 ? 9 ARG A H 4 ATOM 1808 H HA . ARG A 1 9 ? 4.152 -5.904 2.416 1.00 0.00 ? 9 ARG A HA 4 ATOM 1809 H HB2 . ARG A 1 9 ? 3.070 -5.324 -0.070 1.00 0.00 ? 9 ARG A HB2 4 ATOM 1810 H HB3 . ARG A 1 9 ? 4.448 -4.251 -0.072 1.00 0.00 ? 9 ARG A HB3 4 ATOM 1811 H HG2 . ARG A 1 9 ? 5.326 -6.134 -1.066 1.00 0.00 ? 9 ARG A HG2 4 ATOM 1812 H HG3 . ARG A 1 9 ? 5.809 -6.431 0.614 1.00 0.00 ? 9 ARG A HG3 4 ATOM 1813 H HD2 . ARG A 1 9 ? 3.499 -7.657 -0.953 1.00 0.00 ? 9 ARG A HD2 4 ATOM 1814 H HD3 . ARG A 1 9 ? 4.962 -8.471 -0.381 1.00 0.00 ? 9 ARG A HD3 4 ATOM 1815 H HE . ARG A 1 9 ? 2.789 -7.382 1.400 1.00 0.00 ? 9 ARG A HE 4 ATOM 1816 H HH11 . ARG A 1 9 ? 5.047 -10.023 0.831 1.00 0.00 ? 9 ARG A HH11 4 ATOM 1817 H HH12 . ARG A 1 9 ? 4.515 -10.851 2.272 1.00 0.00 ? 9 ARG A HH12 4 ATOM 1818 H HH21 . ARG A 1 9 ? 2.248 -8.406 3.153 1.00 0.00 ? 9 ARG A HH21 4 ATOM 1819 H HH22 . ARG A 1 9 ? 2.946 -9.964 3.563 1.00 0.00 ? 9 ARG A HH22 4 ATOM 1820 N N . MET A 1 10 ? 6.250 -4.295 2.466 1.00 0.00 ? 10 MET A N 4 ATOM 1821 C CA . MET A 1 10 ? 7.295 -3.445 3.056 1.00 0.00 ? 10 MET A CA 4 ATOM 1822 C C . MET A 1 10 ? 8.687 -3.736 2.469 1.00 0.00 ? 10 MET A C 4 ATOM 1823 O O . MET A 1 10 ? 9.085 -4.892 2.304 1.00 0.00 ? 10 MET A O 4 ATOM 1824 C CB . MET A 1 10 ? 7.296 -3.619 4.590 1.00 0.00 ? 10 MET A CB 4 ATOM 1825 C CG . MET A 1 10 ? 8.227 -2.639 5.321 1.00 0.00 ? 10 MET A CG 4 ATOM 1826 S SD . MET A 1 10 ? 8.526 -3.019 7.072 1.00 0.00 ? 10 MET A SD 4 ATOM 1827 C CE . MET A 1 10 ? 6.899 -2.669 7.793 1.00 0.00 ? 10 MET A CE 4 ATOM 1828 H H . MET A 1 10 ? 6.511 -5.215 2.143 1.00 0.00 ? 10 MET A H 4 ATOM 1829 H HA . MET A 1 10 ? 7.047 -2.411 2.833 1.00 0.00 ? 10 MET A HA 4 ATOM 1830 H HB2 . MET A 1 10 ? 6.284 -3.476 4.969 1.00 0.00 ? 10 MET A HB2 4 ATOM 1831 H HB3 . MET A 1 10 ? 7.605 -4.639 4.826 1.00 0.00 ? 10 MET A HB3 4 ATOM 1832 H HG2 . MET A 1 10 ? 9.197 -2.640 4.829 1.00 0.00 ? 10 MET A HG2 4 ATOM 1833 H HG3 . MET A 1 10 ? 7.813 -1.633 5.242 1.00 0.00 ? 10 MET A HG3 4 ATOM 1834 H HE1 . MET A 1 10 ? 6.654 -1.617 7.651 1.00 0.00 ? 10 MET A HE1 4 ATOM 1835 H HE2 . MET A 1 10 ? 6.137 -3.290 7.322 1.00 0.00 ? 10 MET A HE2 4 ATOM 1836 H HE3 . MET A 1 10 ? 6.922 -2.886 8.862 1.00 0.00 ? 10 MET A HE3 4 ATOM 1837 N N . PHE A 1 11 ? 9.424 -2.668 2.157 1.00 0.00 ? 11 PHE A N 4 ATOM 1838 C CA . PHE A 1 11 ? 10.817 -2.681 1.703 1.00 0.00 ? 11 PHE A CA 4 ATOM 1839 C C . PHE A 1 11 ? 11.861 -3.002 2.787 1.00 0.00 ? 11 PHE A C 4 ATOM 1840 O O . PHE A 1 11 ? 11.608 -2.808 3.979 1.00 0.00 ? 11 PHE A O 4 ATOM 1841 C CB . PHE A 1 11 ? 11.137 -1.354 0.995 1.00 0.00 ? 11 PHE A CB 4 ATOM 1842 C CG . PHE A 1 11 ? 10.440 -1.150 -0.336 1.00 0.00 ? 11 PHE A CG 4 ATOM 1843 C CD1 . PHE A 1 11 ? 10.859 -1.857 -1.480 1.00 0.00 ? 11 PHE A CD1 4 ATOM 1844 C CD2 . PHE A 1 11 ? 9.376 -0.234 -0.438 1.00 0.00 ? 11 PHE A CD2 4 ATOM 1845 C CE1 . PHE A 1 11 ? 10.220 -1.643 -2.716 1.00 0.00 ? 11 PHE A CE1 4 ATOM 1846 C CE2 . PHE A 1 11 ? 8.745 -0.012 -1.672 1.00 0.00 ? 11 PHE A CE2 4 ATOM 1847 C CZ . PHE A 1 11 ? 9.166 -0.717 -2.813 1.00 0.00 ? 11 PHE A CZ 4 ATOM 1848 H H . PHE A 1 11 ? 9.007 -1.759 2.325 1.00 0.00 ? 11 PHE A H 4 ATOM 1849 H HA . PHE A 1 11 ? 10.911 -3.471 0.956 1.00 0.00 ? 11 PHE A HA 4 ATOM 1850 H HB2 . PHE A 1 11 ? 10.874 -0.536 1.668 1.00 0.00 ? 11 PHE A HB2 4 ATOM 1851 H HB3 . PHE A 1 11 ? 12.212 -1.302 0.806 1.00 0.00 ? 11 PHE A HB3 4 ATOM 1852 H HD1 . PHE A 1 11 ? 11.677 -2.562 -1.412 1.00 0.00 ? 11 PHE A HD1 4 ATOM 1853 H HD2 . PHE A 1 11 ? 9.027 0.296 0.435 1.00 0.00 ? 11 PHE A HD2 4 ATOM 1854 H HE1 . PHE A 1 11 ? 10.541 -2.190 -3.593 1.00 0.00 ? 11 PHE A HE1 4 ATOM 1855 H HE2 . PHE A 1 11 ? 7.920 0.685 -1.730 1.00 0.00 ? 11 PHE A HE2 4 ATOM 1856 H HZ . PHE A 1 11 ? 8.670 -0.555 -3.762 1.00 0.00 ? 11 PHE A HZ 4 ATOM 1857 N N . ALA A 1 12 ? 13.069 -3.414 2.388 1.00 0.00 ? 12 ALA A N 4 ATOM 1858 C CA . ALA A 1 12 ? 14.180 -3.704 3.307 1.00 0.00 ? 12 ALA A CA 4 ATOM 1859 C C . ALA A 1 12 ? 14.643 -2.482 4.141 1.00 0.00 ? 12 ALA A C 4 ATOM 1860 O O . ALA A 1 12 ? 15.217 -2.650 5.220 1.00 0.00 ? 12 ALA A O 4 ATOM 1861 C CB . ALA A 1 12 ? 15.335 -4.278 2.478 1.00 0.00 ? 12 ALA A CB 4 ATOM 1862 H H . ALA A 1 12 ? 13.228 -3.552 1.399 1.00 0.00 ? 12 ALA A H 4 ATOM 1863 H HA . ALA A 1 12 ? 13.852 -4.470 4.011 1.00 0.00 ? 12 ALA A HA 4 ATOM 1864 H HB1 . ALA A 1 12 ? 16.158 -4.554 3.139 1.00 0.00 ? 12 ALA A HB1 4 ATOM 1865 H HB2 . ALA A 1 12 ? 15.003 -5.168 1.942 1.00 0.00 ? 12 ALA A HB2 4 ATOM 1866 H HB3 . ALA A 1 12 ? 15.689 -3.535 1.761 1.00 0.00 ? 12 ALA A HB3 4 ATOM 1867 N N . ASN A 1 13 ? 14.373 -1.258 3.668 1.00 0.00 ? 13 ASN A N 4 ATOM 1868 C CA . ASN A 1 13 ? 14.636 0.002 4.381 1.00 0.00 ? 13 ASN A CA 4 ATOM 1869 C C . ASN A 1 13 ? 13.552 0.388 5.423 1.00 0.00 ? 13 ASN A C 4 ATOM 1870 O O . ASN A 1 13 ? 13.696 1.406 6.103 1.00 0.00 ? 13 ASN A O 4 ATOM 1871 C CB . ASN A 1 13 ? 14.870 1.123 3.342 1.00 0.00 ? 13 ASN A CB 4 ATOM 1872 C CG . ASN A 1 13 ? 13.660 1.450 2.477 1.00 0.00 ? 13 ASN A CG 4 ATOM 1873 O OD1 . ASN A 1 13 ? 12.533 1.089 2.808 1.00 0.00 ? 13 ASN A OD1 4 ATOM 1874 N ND2 . ASN A 1 13 ? 13.871 2.171 1.388 1.00 0.00 ? 13 ASN A ND2 4 ATOM 1875 H H . ASN A 1 13 ? 13.908 -1.202 2.774 1.00 0.00 ? 13 ASN A H 4 ATOM 1876 H HA . ASN A 1 13 ? 15.564 -0.116 4.944 1.00 0.00 ? 13 ASN A HA 4 ATOM 1877 H HB2 . ASN A 1 13 ? 15.167 2.037 3.862 1.00 0.00 ? 13 ASN A HB2 4 ATOM 1878 H HB3 . ASN A 1 13 ? 15.691 0.822 2.687 1.00 0.00 ? 13 ASN A HB3 4 ATOM 1879 H HD21 . ASN A 1 13 ? 14.813 2.461 1.175 1.00 0.00 ? 13 ASN A HD21 4 ATOM 1880 N N . GLY A 1 14 ? 12.466 -0.390 5.546 1.00 0.00 ? 14 GLY A N 4 ATOM 1881 C CA . GLY A 1 14 ? 11.347 -0.125 6.462 1.00 0.00 ? 14 GLY A CA 4 ATOM 1882 C C . GLY A 1 14 ? 10.214 0.747 5.897 1.00 0.00 ? 14 GLY A C 4 ATOM 1883 O O . GLY A 1 14 ? 9.424 1.291 6.672 1.00 0.00 ? 14 GLY A O 4 ATOM 1884 H H . GLY A 1 14 ? 12.404 -1.217 4.963 1.00 0.00 ? 14 GLY A H 4 ATOM 1885 H HA2 . GLY A 1 14 ? 10.908 -1.086 6.741 1.00 0.00 ? 14 GLY A HA2 4 ATOM 1886 H HA3 . GLY A 1 14 ? 11.724 0.356 7.368 1.00 0.00 ? 14 GLY A HA3 4 ATOM 1887 N N . THR A 1 15 ? 10.099 0.881 4.570 1.00 0.00 ? 15 THR A N 4 ATOM 1888 C CA . THR A 1 15 ? 9.051 1.673 3.895 1.00 0.00 ? 15 THR A CA 4 ATOM 1889 C C . THR A 1 15 ? 7.874 0.778 3.505 1.00 0.00 ? 15 THR A C 4 ATOM 1890 O O . THR A 1 15 ? 8.076 -0.263 2.883 1.00 0.00 ? 15 THR A O 4 ATOM 1891 C CB . THR A 1 15 ? 9.616 2.325 2.622 1.00 0.00 ? 15 THR A CB 4 ATOM 1892 O OG1 . THR A 1 15 ? 10.704 3.163 2.938 1.00 0.00 ? 15 THR A OG1 4 ATOM 1893 C CG2 . THR A 1 15 ? 8.597 3.144 1.840 1.00 0.00 ? 15 THR A CG2 4 ATOM 1894 H H . THR A 1 15 ? 10.797 0.442 3.984 1.00 0.00 ? 15 THR A H 4 ATOM 1895 H HA . THR A 1 15 ? 8.695 2.465 4.554 1.00 0.00 ? 15 THR A HA 4 ATOM 1896 H HB . THR A 1 15 ? 9.990 1.543 1.964 1.00 0.00 ? 15 THR A HB 4 ATOM 1897 H HG1 . THR A 1 15 ? 11.404 2.555 3.232 1.00 0.00 ? 15 THR A HG1 4 ATOM 1898 H HG21 . THR A 1 15 ? 7.871 2.475 1.374 1.00 0.00 ? 15 THR A HG21 4 ATOM 1899 H HG22 . THR A 1 15 ? 8.088 3.838 2.508 1.00 0.00 ? 15 THR A HG22 4 ATOM 1900 H HG23 . THR A 1 15 ? 9.102 3.700 1.053 1.00 0.00 ? 15 THR A HG23 4 ATOM 1901 N N . VAL A 1 16 ? 6.643 1.186 3.824 1.00 0.00 ? 16 VAL A N 4 ATOM 1902 C CA . VAL A 1 16 ? 5.417 0.396 3.588 1.00 0.00 ? 16 VAL A CA 4 ATOM 1903 C C . VAL A 1 16 ? 4.784 0.808 2.253 1.00 0.00 ? 16 VAL A C 4 ATOM 1904 O O . VAL A 1 16 ? 4.789 1.984 1.878 1.00 0.00 ? 16 VAL A O 4 ATOM 1905 C CB . VAL A 1 16 ? 4.414 0.602 4.745 1.00 0.00 ? 16 VAL A CB 4 ATOM 1906 C CG1 . VAL A 1 16 ? 3.011 0.032 4.486 1.00 0.00 ? 16 VAL A CG1 4 ATOM 1907 C CG2 . VAL A 1 16 ? 4.934 -0.073 6.021 1.00 0.00 ? 16 VAL A CG2 4 ATOM 1908 H H . VAL A 1 16 ? 6.543 2.075 4.295 1.00 0.00 ? 16 VAL A H 4 ATOM 1909 H HA . VAL A 1 16 ? 5.665 -0.663 3.537 1.00 0.00 ? 16 VAL A HA 4 ATOM 1910 H HB . VAL A 1 16 ? 4.310 1.671 4.937 1.00 0.00 ? 16 VAL A HB 4 ATOM 1911 H HG11 . VAL A 1 16 ? 3.072 -1.031 4.249 1.00 0.00 ? 16 VAL A HG11 4 ATOM 1912 H HG12 . VAL A 1 16 ? 2.395 0.170 5.373 1.00 0.00 ? 16 VAL A HG12 4 ATOM 1913 H HG13 . VAL A 1 16 ? 2.530 0.562 3.664 1.00 0.00 ? 16 VAL A HG13 4 ATOM 1914 H HG21 . VAL A 1 16 ? 4.236 0.100 6.841 1.00 0.00 ? 16 VAL A HG21 4 ATOM 1915 H HG22 . VAL A 1 16 ? 5.026 -1.147 5.857 1.00 0.00 ? 16 VAL A HG22 4 ATOM 1916 H HG23 . VAL A 1 16 ? 5.905 0.338 6.297 1.00 0.00 ? 16 VAL A HG23 4 ATOM 1917 N N . TYR A 1 17 ? 4.215 -0.172 1.550 1.00 0.00 ? 17 TYR A N 4 ATOM 1918 C CA . TYR A 1 17 ? 3.463 0.000 0.304 1.00 0.00 ? 17 TYR A CA 4 ATOM 1919 C C . TYR A 1 17 ? 2.354 -1.068 0.201 1.00 0.00 ? 17 TYR A C 4 ATOM 1920 O O . TYR A 1 17 ? 2.188 -1.910 1.089 1.00 0.00 ? 17 TYR A O 4 ATOM 1921 C CB . TYR A 1 17 ? 4.439 -0.053 -0.890 1.00 0.00 ? 17 TYR A CB 4 ATOM 1922 C CG . TYR A 1 17 ? 5.160 -1.370 -1.146 1.00 0.00 ? 17 TYR A CG 4 ATOM 1923 C CD1 . TYR A 1 17 ? 6.304 -1.713 -0.396 1.00 0.00 ? 17 TYR A CD1 4 ATOM 1924 C CD2 . TYR A 1 17 ? 4.746 -2.206 -2.204 1.00 0.00 ? 17 TYR A CD2 4 ATOM 1925 C CE1 . TYR A 1 17 ? 7.053 -2.858 -0.730 1.00 0.00 ? 17 TYR A CE1 4 ATOM 1926 C CE2 . TYR A 1 17 ? 5.482 -3.362 -2.529 1.00 0.00 ? 17 TYR A CE2 4 ATOM 1927 C CZ . TYR A 1 17 ? 6.653 -3.676 -1.807 1.00 0.00 ? 17 TYR A CZ 4 ATOM 1928 O OH . TYR A 1 17 ? 7.393 -4.764 -2.152 1.00 0.00 ? 17 TYR A OH 4 ATOM 1929 H H . TYR A 1 17 ? 4.232 -1.108 1.944 1.00 0.00 ? 17 TYR A H 4 ATOM 1930 H HA . TYR A 1 17 ? 2.977 0.977 0.303 1.00 0.00 ? 17 TYR A HA 4 ATOM 1931 H HB2 . TYR A 1 17 ? 3.898 0.223 -1.794 1.00 0.00 ? 17 TYR A HB2 4 ATOM 1932 H HB3 . TYR A 1 17 ? 5.196 0.721 -0.747 1.00 0.00 ? 17 TYR A HB3 4 ATOM 1933 H HD1 . TYR A 1 17 ? 6.637 -1.068 0.406 1.00 0.00 ? 17 TYR A HD1 4 ATOM 1934 H HD2 . TYR A 1 17 ? 3.875 -1.949 -2.792 1.00 0.00 ? 17 TYR A HD2 4 ATOM 1935 H HE1 . TYR A 1 17 ? 7.955 -3.090 -0.188 1.00 0.00 ? 17 TYR A HE1 4 ATOM 1936 H HE2 . TYR A 1 17 ? 5.167 -4.002 -3.341 1.00 0.00 ? 17 TYR A HE2 4 ATOM 1937 H HH . TYR A 1 17 ? 8.215 -4.809 -1.651 1.00 0.00 ? 17 TYR A HH 4 ATOM 1938 N N . TYR A 1 18 ? 1.583 -1.035 -0.884 1.00 0.00 ? 18 TYR A N 4 ATOM 1939 C CA . TYR A 1 18 ? 0.517 -1.985 -1.202 1.00 0.00 ? 18 TYR A CA 4 ATOM 1940 C C . TYR A 1 18 ? 0.862 -2.830 -2.433 1.00 0.00 ? 18 TYR A C 4 ATOM 1941 O O . TYR A 1 18 ? 1.426 -2.316 -3.402 1.00 0.00 ? 18 TYR A O 4 ATOM 1942 C CB . TYR A 1 18 ? -0.816 -1.244 -1.370 1.00 0.00 ? 18 TYR A CB 4 ATOM 1943 C CG . TYR A 1 18 ? -1.279 -0.526 -0.114 1.00 0.00 ? 18 TYR A CG 4 ATOM 1944 C CD1 . TYR A 1 18 ? -2.053 -1.203 0.850 1.00 0.00 ? 18 TYR A CD1 4 ATOM 1945 C CD2 . TYR A 1 18 ? -0.914 0.819 0.095 1.00 0.00 ? 18 TYR A CD2 4 ATOM 1946 C CE1 . TYR A 1 18 ? -2.468 -0.531 2.018 1.00 0.00 ? 18 TYR A CE1 4 ATOM 1947 C CE2 . TYR A 1 18 ? -1.316 1.487 1.266 1.00 0.00 ? 18 TYR A CE2 4 ATOM 1948 C CZ . TYR A 1 18 ? -2.099 0.815 2.229 1.00 0.00 ? 18 TYR A CZ 4 ATOM 1949 O OH . TYR A 1 18 ? -2.495 1.468 3.355 1.00 0.00 ? 18 TYR A OH 4 ATOM 1950 H H . TYR A 1 18 ? 1.760 -0.308 -1.569 1.00 0.00 ? 18 TYR A H 4 ATOM 1951 H HA . TYR A 1 18 ? 0.393 -2.675 -0.367 1.00 0.00 ? 18 TYR A HA 4 ATOM 1952 H HB2 . TYR A 1 18 ? -0.724 -0.520 -2.185 1.00 0.00 ? 18 TYR A HB2 4 ATOM 1953 H HB3 . TYR A 1 18 ? -1.584 -1.971 -1.650 1.00 0.00 ? 18 TYR A HB3 4 ATOM 1954 H HD1 . TYR A 1 18 ? -2.324 -2.240 0.699 1.00 0.00 ? 18 TYR A HD1 4 ATOM 1955 H HD2 . TYR A 1 18 ? -0.319 1.337 -0.647 1.00 0.00 ? 18 TYR A HD2 4 ATOM 1956 H HE1 . TYR A 1 18 ? -3.057 -1.052 2.760 1.00 0.00 ? 18 TYR A HE1 4 ATOM 1957 H HE2 . TYR A 1 18 ? -1.036 2.518 1.433 1.00 0.00 ? 18 TYR A HE2 4 ATOM 1958 H HH . TYR A 1 18 ? -3.053 0.914 3.913 1.00 0.00 ? 18 TYR A HH 4 ATOM 1959 N N . PHE A 1 19 ? 0.518 -4.118 -2.410 1.00 0.00 ? 19 PHE A N 4 ATOM 1960 C CA . PHE A 1 19 ? 0.861 -5.082 -3.456 1.00 0.00 ? 19 PHE A CA 4 ATOM 1961 C C . PHE A 1 19 ? -0.275 -6.063 -3.773 1.00 0.00 ? 19 PHE A C 4 ATOM 1962 O O . PHE A 1 19 ? -0.896 -6.604 -2.856 1.00 0.00 ? 19 PHE A O 4 ATOM 1963 C CB . PHE A 1 19 ? 2.162 -5.803 -3.084 1.00 0.00 ? 19 PHE A CB 4 ATOM 1964 C CG . PHE A 1 19 ? 2.555 -6.865 -4.086 1.00 0.00 ? 19 PHE A CG 4 ATOM 1965 C CD1 . PHE A 1 19 ? 3.084 -6.442 -5.315 1.00 0.00 ? 19 PHE A CD1 4 ATOM 1966 C CD2 . PHE A 1 19 ? 2.354 -8.240 -3.844 1.00 0.00 ? 19 PHE A CD2 4 ATOM 1967 C CE1 . PHE A 1 19 ? 3.409 -7.374 -6.308 1.00 0.00 ? 19 PHE A CE1 4 ATOM 1968 C CE2 . PHE A 1 19 ? 2.709 -9.179 -4.830 1.00 0.00 ? 19 PHE A CE2 4 ATOM 1969 C CZ . PHE A 1 19 ? 3.233 -8.748 -6.063 1.00 0.00 ? 19 PHE A CZ 4 ATOM 1970 H H . PHE A 1 19 ? 0.057 -4.478 -1.579 1.00 0.00 ? 19 PHE A H 4 ATOM 1971 H HA . PHE A 1 19 ? 1.062 -4.546 -4.386 1.00 0.00 ? 19 PHE A HA 4 ATOM 1972 H HB2 . PHE A 1 19 ? 2.967 -5.067 -3.017 1.00 0.00 ? 19 PHE A HB2 4 ATOM 1973 H HB3 . PHE A 1 19 ? 2.040 -6.267 -2.105 1.00 0.00 ? 19 PHE A HB3 4 ATOM 1974 H HD1 . PHE A 1 19 ? 3.216 -5.389 -5.509 1.00 0.00 ? 19 PHE A HD1 4 ATOM 1975 H HD2 . PHE A 1 19 ? 1.918 -8.583 -2.914 1.00 0.00 ? 19 PHE A HD2 4 ATOM 1976 H HE1 . PHE A 1 19 ? 3.779 -7.013 -7.255 1.00 0.00 ? 19 PHE A HE1 4 ATOM 1977 H HE2 . PHE A 1 19 ? 2.565 -10.234 -4.645 1.00 0.00 ? 19 PHE A HE2 4 ATOM 1978 H HZ . PHE A 1 19 ? 3.490 -9.472 -6.826 1.00 0.00 ? 19 PHE A HZ 4 ATOM 1979 N N . ASN A 1 20 ? -0.546 -6.308 -5.056 1.00 0.00 ? 20 ASN A N 4 ATOM 1980 C CA . ASN A 1 20 ? -1.556 -7.261 -5.507 1.00 0.00 ? 20 ASN A CA 4 ATOM 1981 C C . ASN A 1 20 ? -0.910 -8.607 -5.877 1.00 0.00 ? 20 ASN A C 4 ATOM 1982 O O . ASN A 1 20 ? -0.142 -8.694 -6.837 1.00 0.00 ? 20 ASN A O 4 ATOM 1983 C CB . ASN A 1 20 ? -2.335 -6.648 -6.677 1.00 0.00 ? 20 ASN A CB 4 ATOM 1984 C CG . ASN A 1 20 ? -3.602 -7.436 -6.952 1.00 0.00 ? 20 ASN A CG 4 ATOM 1985 O OD1 . ASN A 1 20 ? -3.580 -8.643 -7.139 1.00 0.00 ? 20 ASN A OD1 4 ATOM 1986 N ND2 . ASN A 1 20 ? -4.739 -6.789 -6.985 1.00 0.00 ? 20 ASN A ND2 4 ATOM 1987 H H . ASN A 1 20 ? 0.007 -5.837 -5.764 1.00 0.00 ? 20 ASN A H 4 ATOM 1988 H HA . ASN A 1 20 ? -2.263 -7.431 -4.700 1.00 0.00 ? 20 ASN A HA 4 ATOM 1989 H HB2 . ASN A 1 20 ? -2.601 -5.622 -6.428 1.00 0.00 ? 20 ASN A HB2 4 ATOM 1990 H HB3 . ASN A 1 20 ? -1.716 -6.640 -7.575 1.00 0.00 ? 20 ASN A HB3 4 ATOM 1991 H HD21 . ASN A 1 20 ? -4.760 -5.805 -6.759 1.00 0.00 ? 20 ASN A HD21 4 ATOM 1992 H HD22 . ASN A 1 20 ? -5.601 -7.314 -7.050 1.00 0.00 ? 20 ASN A HD22 4 ATOM 1993 N N . HIS A 1 21 ? -1.246 -9.672 -5.145 1.00 0.00 ? 21 HIS A N 4 ATOM 1994 C CA . HIS A 1 21 ? -0.660 -11.005 -5.355 1.00 0.00 ? 21 HIS A CA 4 ATOM 1995 C C . HIS A 1 21 ? -1.191 -11.715 -6.617 1.00 0.00 ? 21 HIS A C 4 ATOM 1996 O O . HIS A 1 21 ? -0.506 -12.576 -7.174 1.00 0.00 ? 21 HIS A O 4 ATOM 1997 C CB . HIS A 1 21 ? -0.849 -11.845 -4.079 1.00 0.00 ? 21 HIS A CB 4 ATOM 1998 C CG . HIS A 1 21 ? -2.107 -12.688 -4.033 1.00 0.00 ? 21 HIS A CG 4 ATOM 1999 N ND1 . HIS A 1 21 ? -2.250 -13.964 -4.589 1.00 0.00 ? 21 HIS A ND1 4 ATOM 2000 C CD2 . HIS A 1 21 ? -3.258 -12.375 -3.370 1.00 0.00 ? 21 HIS A CD2 4 ATOM 2001 C CE1 . HIS A 1 21 ? -3.488 -14.378 -4.266 1.00 0.00 ? 21 HIS A CE1 4 ATOM 2002 N NE2 . HIS A 1 21 ? -4.116 -13.442 -3.534 1.00 0.00 ? 21 HIS A NE2 4 ATOM 2003 H H . HIS A 1 21 ? -1.922 -9.549 -4.399 1.00 0.00 ? 21 HIS A H 4 ATOM 2004 H HA . HIS A 1 21 ? 0.413 -10.877 -5.506 1.00 0.00 ? 21 HIS A HA 4 ATOM 2005 H HB2 . HIS A 1 21 ? 0.007 -12.520 -4.001 1.00 0.00 ? 21 HIS A HB2 4 ATOM 2006 H HB3 . HIS A 1 21 ? -0.827 -11.191 -3.202 1.00 0.00 ? 21 HIS A HB3 4 ATOM 2007 H HD2 . HIS A 1 21 ? -3.451 -11.467 -2.816 1.00 0.00 ? 21 HIS A HD2 4 ATOM 2008 H HE1 . HIS A 1 21 ? -3.917 -15.334 -4.545 1.00 0.00 ? 21 HIS A HE1 4 ATOM 2009 H HE2 . HIS A 1 21 ? -5.054 -13.529 -3.155 1.00 0.00 ? 21 HIS A HE2 4 ATOM 2010 N N . ILE A 1 22 ? -2.387 -11.342 -7.091 1.00 0.00 ? 22 ILE A N 4 ATOM 2011 C CA . ILE A 1 22 ? -3.061 -11.928 -8.261 1.00 0.00 ? 22 ILE A CA 4 ATOM 2012 C C . ILE A 1 22 ? -2.530 -11.319 -9.569 1.00 0.00 ? 22 ILE A C 4 ATOM 2013 O O . ILE A 1 22 ? -2.318 -12.031 -10.554 1.00 0.00 ? 22 ILE A O 4 ATOM 2014 C CB . ILE A 1 22 ? -4.593 -11.713 -8.133 1.00 0.00 ? 22 ILE A CB 4 ATOM 2015 C CG1 . ILE A 1 22 ? -5.116 -12.281 -6.789 1.00 0.00 ? 22 ILE A CG1 4 ATOM 2016 C CG2 . ILE A 1 22 ? -5.330 -12.352 -9.323 1.00 0.00 ? 22 ILE A CG2 4 ATOM 2017 C CD1 . ILE A 1 22 ? -6.633 -12.183 -6.581 1.00 0.00 ? 22 ILE A CD1 4 ATOM 2018 H H . ILE A 1 22 ? -2.871 -10.589 -6.618 1.00 0.00 ? 22 ILE A H 4 ATOM 2019 H HA . ILE A 1 22 ? -2.864 -13.002 -8.285 1.00 0.00 ? 22 ILE A HA 4 ATOM 2020 H HB . ILE A 1 22 ? -4.796 -10.637 -8.157 1.00 0.00 ? 22 ILE A HB 4 ATOM 2021 H HG12 . ILE A 1 22 ? -4.824 -13.330 -6.702 1.00 0.00 ? 22 ILE A HG12 4 ATOM 2022 H HG13 . ILE A 1 22 ? -4.649 -11.731 -5.971 1.00 0.00 ? 22 ILE A HG13 4 ATOM 2023 H HG21 . ILE A 1 22 ? -6.398 -12.148 -9.262 1.00 0.00 ? 22 ILE A HG21 4 ATOM 2024 H HG22 . ILE A 1 22 ? -4.981 -11.927 -10.263 1.00 0.00 ? 22 ILE A HG22 4 ATOM 2025 H HG23 . ILE A 1 22 ? -5.164 -13.429 -9.329 1.00 0.00 ? 22 ILE A HG23 4 ATOM 2026 H HD11 . ILE A 1 22 ? -6.869 -12.438 -5.547 1.00 0.00 ? 22 ILE A HD11 4 ATOM 2027 H HD12 . ILE A 1 22 ? -6.973 -11.167 -6.783 1.00 0.00 ? 22 ILE A HD12 4 ATOM 2028 H HD13 . ILE A 1 22 ? -7.154 -12.881 -7.235 1.00 0.00 ? 22 ILE A HD13 4 ATOM 2029 N N . THR A 1 23 ? -2.295 -10.004 -9.570 1.00 0.00 ? 23 THR A N 4 ATOM 2030 C CA . THR A 1 23 ? -1.963 -9.191 -10.759 1.00 0.00 ? 23 THR A CA 4 ATOM 2031 C C . THR A 1 23 ? -0.527 -8.668 -10.838 1.00 0.00 ? 23 THR A C 4 ATOM 2032 O O . THR A 1 23 ? -0.121 -8.133 -11.872 1.00 0.00 ? 23 THR A O 4 ATOM 2033 C CB . THR A 1 23 ? -2.976 -8.049 -10.948 1.00 0.00 ? 23 THR A CB 4 ATOM 2034 O OG1 . THR A 1 23 ? -2.675 -7.005 -10.053 1.00 0.00 ? 23 THR A OG1 4 ATOM 2035 C CG2 . THR A 1 23 ? -4.434 -8.430 -10.694 1.00 0.00 ? 23 THR A CG2 4 ATOM 2036 H H . THR A 1 23 ? -2.521 -9.501 -8.719 1.00 0.00 ? 23 THR A H 4 ATOM 2037 H HA . THR A 1 23 ? -2.080 -9.829 -11.635 1.00 0.00 ? 23 THR A HA 4 ATOM 2038 H HB . THR A 1 23 ? -2.888 -7.671 -11.967 1.00 0.00 ? 23 THR A HB 4 ATOM 2039 H HG1 . THR A 1 23 ? -3.522 -6.600 -9.830 1.00 0.00 ? 23 THR A HG1 4 ATOM 2040 H HG21 . THR A 1 23 ? -4.598 -8.646 -9.640 1.00 0.00 ? 23 THR A HG21 4 ATOM 2041 H HG22 . THR A 1 23 ? -5.080 -7.603 -10.991 1.00 0.00 ? 23 THR A HG22 4 ATOM 2042 H HG23 . THR A 1 23 ? -4.690 -9.306 -11.289 1.00 0.00 ? 23 THR A HG23 4 ATOM 2043 N N . ASN A 1 24 ? 0.248 -8.822 -9.759 1.00 0.00 ? 24 ASN A N 4 ATOM 2044 C CA . ASN A 1 24 ? 1.590 -8.258 -9.556 1.00 0.00 ? 24 ASN A CA 4 ATOM 2045 C C . ASN A 1 24 ? 1.662 -6.712 -9.596 1.00 0.00 ? 24 ASN A C 4 ATOM 2046 O O . ASN A 1 24 ? 2.758 -6.147 -9.665 1.00 0.00 ? 24 ASN A O 4 ATOM 2047 C CB . ASN A 1 24 ? 2.625 -8.966 -10.455 1.00 0.00 ? 24 ASN A CB 4 ATOM 2048 C CG . ASN A 1 24 ? 2.676 -10.467 -10.223 1.00 0.00 ? 24 ASN A CG 4 ATOM 2049 O OD1 . ASN A 1 24 ? 2.993 -10.946 -9.142 1.00 0.00 ? 24 ASN A OD1 4 ATOM 2050 N ND2 . ASN A 1 24 ? 2.410 -11.264 -11.236 1.00 0.00 ? 24 ASN A ND2 4 ATOM 2051 H H . ASN A 1 24 ? -0.175 -9.258 -8.949 1.00 0.00 ? 24 ASN A H 4 ATOM 2052 H HA . ASN A 1 24 ? 1.858 -8.505 -8.529 1.00 0.00 ? 24 ASN A HA 4 ATOM 2053 H HB2 . ASN A 1 24 ? 2.404 -8.759 -11.504 1.00 0.00 ? 24 ASN A HB2 4 ATOM 2054 H HB3 . ASN A 1 24 ? 3.619 -8.575 -10.233 1.00 0.00 ? 24 ASN A HB3 4 ATOM 2055 H HD21 . ASN A 1 24 ? 2.162 -10.872 -12.136 1.00 0.00 ? 24 ASN A HD21 4 ATOM 2056 H HD22 . ASN A 1 24 ? 2.458 -12.262 -11.085 1.00 0.00 ? 24 ASN A HD22 4 ATOM 2057 N N . ALA A 1 25 ? 0.522 -6.010 -9.540 1.00 0.00 ? 25 ALA A N 4 ATOM 2058 C CA . ALA A 1 25 ? 0.475 -4.553 -9.401 1.00 0.00 ? 25 ALA A CA 4 ATOM 2059 C C . ALA A 1 25 ? 0.990 -4.082 -8.021 1.00 0.00 ? 25 ALA A C 4 ATOM 2060 O O . ALA A 1 25 ? 0.895 -4.807 -7.028 1.00 0.00 ? 25 ALA A O 4 ATOM 2061 C CB . ALA A 1 25 ? -0.961 -4.078 -9.659 1.00 0.00 ? 25 ALA A CB 4 ATOM 2062 H H . ALA A 1 25 ? -0.357 -6.515 -9.517 1.00 0.00 ? 25 ALA A H 4 ATOM 2063 H HA . ALA A 1 25 ? 1.117 -4.112 -10.165 1.00 0.00 ? 25 ALA A HA 4 ATOM 2064 H HB1 . ALA A 1 25 ? -1.290 -4.412 -10.644 1.00 0.00 ? 25 ALA A HB1 4 ATOM 2065 H HB2 . ALA A 1 25 ? -1.631 -4.481 -8.899 1.00 0.00 ? 25 ALA A HB2 4 ATOM 2066 H HB3 . ALA A 1 25 ? -1.000 -2.988 -9.626 1.00 0.00 ? 25 ALA A HB3 4 ATOM 2067 N N . SER A 1 26 ? 1.501 -2.850 -7.945 1.00 0.00 ? 26 SER A N 4 ATOM 2068 C CA . SER A 1 26 ? 1.993 -2.222 -6.708 1.00 0.00 ? 26 SER A CA 4 ATOM 2069 C C . SER A 1 26 ? 1.653 -0.725 -6.643 1.00 0.00 ? 26 SER A C 4 ATOM 2070 O O . SER A 1 26 ? 1.564 -0.054 -7.676 1.00 0.00 ? 26 SER A O 4 ATOM 2071 C CB . SER A 1 26 ? 3.505 -2.440 -6.538 1.00 0.00 ? 26 SER A CB 4 ATOM 2072 O OG . SER A 1 26 ? 4.248 -1.856 -7.598 1.00 0.00 ? 26 SER A OG 4 ATOM 2073 H H . SER A 1 26 ? 1.553 -2.299 -8.791 1.00 0.00 ? 26 SER A H 4 ATOM 2074 H HA . SER A 1 26 ? 1.513 -2.716 -5.865 1.00 0.00 ? 26 SER A HA 4 ATOM 2075 H HB2 . SER A 1 26 ? 3.823 -2.004 -5.589 1.00 0.00 ? 26 SER A HB2 4 ATOM 2076 H HB3 . SER A 1 26 ? 3.710 -3.509 -6.506 1.00 0.00 ? 26 SER A HB3 4 ATOM 2077 H HG . SER A 1 26 ? 5.183 -2.068 -7.460 1.00 0.00 ? 26 SER A HG 4 ATOM 2078 N N . GLN A 1 27 ? 1.469 -0.191 -5.430 1.00 0.00 ? 27 GLN A N 4 ATOM 2079 C CA . GLN A 1 27 ? 1.186 1.229 -5.170 1.00 0.00 ? 27 GLN A CA 4 ATOM 2080 C C . GLN A 1 27 ? 1.742 1.734 -3.832 1.00 0.00 ? 27 GLN A C 4 ATOM 2081 O O . GLN A 1 27 ? 1.664 1.043 -2.816 1.00 0.00 ? 27 GLN A O 4 ATOM 2082 C CB . GLN A 1 27 ? -0.331 1.504 -5.153 1.00 0.00 ? 27 GLN A CB 4 ATOM 2083 C CG . GLN A 1 27 ? -0.996 1.543 -6.534 1.00 0.00 ? 27 GLN A CG 4 ATOM 2084 C CD . GLN A 1 27 ? -2.454 2.021 -6.531 1.00 0.00 ? 27 GLN A CD 4 ATOM 2085 O OE1 . GLN A 1 27 ? -3.135 1.977 -7.549 1.00 0.00 ? 27 GLN A OE1 4 ATOM 2086 N NE2 . GLN A 1 27 ? -2.992 2.558 -5.453 1.00 0.00 ? 27 GLN A NE2 4 ATOM 2087 H H . GLN A 1 27 ? 1.535 -0.806 -4.624 1.00 0.00 ? 27 GLN A H 4 ATOM 2088 H HA . GLN A 1 27 ? 1.639 1.832 -5.958 1.00 0.00 ? 27 GLN A HA 4 ATOM 2089 H HB2 . GLN A 1 27 ? -0.834 0.769 -4.522 1.00 0.00 ? 27 GLN A HB2 4 ATOM 2090 H HB3 . GLN A 1 27 ? -0.468 2.490 -4.711 1.00 0.00 ? 27 GLN A HB3 4 ATOM 2091 H HG2 . GLN A 1 27 ? -0.426 2.233 -7.154 1.00 0.00 ? 27 GLN A HG2 4 ATOM 2092 H HG3 . GLN A 1 27 ? -0.963 0.549 -6.974 1.00 0.00 ? 27 GLN A HG3 4 ATOM 2093 H HE21 . GLN A 1 27 ? -2.479 2.594 -4.574 1.00 0.00 ? 27 GLN A HE21 4 ATOM 2094 H HE22 . GLN A 1 27 ? -3.926 2.931 -5.528 1.00 0.00 ? 27 GLN A HE22 4 ATOM 2095 N N . PHE A 1 28 ? 2.236 2.974 -3.814 1.00 0.00 ? 28 PHE A N 4 ATOM 2096 C CA . PHE A 1 28 ? 2.594 3.684 -2.578 1.00 0.00 ? 28 PHE A CA 4 ATOM 2097 C C . PHE A 1 28 ? 1.401 4.252 -1.784 1.00 0.00 ? 28 PHE A C 4 ATOM 2098 O O . PHE A 1 28 ? 1.509 4.536 -0.589 1.00 0.00 ? 28 PHE A O 4 ATOM 2099 C CB . PHE A 1 28 ? 3.697 4.722 -2.835 1.00 0.00 ? 28 PHE A CB 4 ATOM 2100 C CG . PHE A 1 28 ? 5.087 4.132 -2.993 1.00 0.00 ? 28 PHE A CG 4 ATOM 2101 C CD1 . PHE A 1 28 ? 5.592 3.840 -4.274 1.00 0.00 ? 28 PHE A CD1 4 ATOM 2102 C CD2 . PHE A 1 28 ? 5.884 3.887 -1.857 1.00 0.00 ? 28 PHE A CD2 4 ATOM 2103 C CE1 . PHE A 1 28 ? 6.889 3.314 -4.421 1.00 0.00 ? 28 PHE A CE1 4 ATOM 2104 C CE2 . PHE A 1 28 ? 7.184 3.368 -2.005 1.00 0.00 ? 28 PHE A CE2 4 ATOM 2105 C CZ . PHE A 1 28 ? 7.687 3.082 -3.287 1.00 0.00 ? 28 PHE A CZ 4 ATOM 2106 H H . PHE A 1 28 ? 2.301 3.482 -4.686 1.00 0.00 ? 28 PHE A H 4 ATOM 2107 H HA . PHE A 1 28 ? 3.036 2.950 -1.903 1.00 0.00 ? 28 PHE A HA 4 ATOM 2108 H HB2 . PHE A 1 28 ? 3.442 5.307 -3.724 1.00 0.00 ? 28 PHE A HB2 4 ATOM 2109 H HB3 . PHE A 1 28 ? 3.730 5.408 -1.984 1.00 0.00 ? 28 PHE A HB3 4 ATOM 2110 H HD1 . PHE A 1 28 ? 4.986 4.025 -5.151 1.00 0.00 ? 28 PHE A HD1 4 ATOM 2111 H HD2 . PHE A 1 28 ? 5.502 4.104 -0.868 1.00 0.00 ? 28 PHE A HD2 4 ATOM 2112 H HE1 . PHE A 1 28 ? 7.275 3.092 -5.408 1.00 0.00 ? 28 PHE A HE1 4 ATOM 2113 H HE2 . PHE A 1 28 ? 7.795 3.188 -1.132 1.00 0.00 ? 28 PHE A HE2 4 ATOM 2114 H HZ . PHE A 1 28 ? 8.686 2.680 -3.401 1.00 0.00 ? 28 PHE A HZ 4 ATOM 2115 N N . GLU A 1 29 ? 0.254 4.401 -2.456 1.00 0.00 ? 29 GLU A N 4 ATOM 2116 C CA . GLU A 1 29 ? -1.034 4.856 -1.910 1.00 0.00 ? 29 GLU A CA 4 ATOM 2117 C C . GLU A 1 29 ? -2.071 3.719 -1.858 1.00 0.00 ? 29 GLU A C 4 ATOM 2118 O O . GLU A 1 29 ? -2.054 2.812 -2.697 1.00 0.00 ? 29 GLU A O 4 ATOM 2119 C CB . GLU A 1 29 ? -1.511 6.081 -2.721 1.00 0.00 ? 29 GLU A CB 4 ATOM 2120 C CG . GLU A 1 29 ? -2.968 6.560 -2.552 1.00 0.00 ? 29 GLU A CG 4 ATOM 2121 C CD . GLU A 1 29 ? -3.383 6.996 -1.129 1.00 0.00 ? 29 GLU A CD 4 ATOM 2122 O OE1 . GLU A 1 29 ? -2.714 6.634 -0.132 1.00 0.00 ? 29 GLU A OE1 4 ATOM 2123 O OE2 . GLU A 1 29 ? -4.416 7.698 -0.999 1.00 0.00 ? 29 GLU A OE2 4 ATOM 2124 H H . GLU A 1 29 ? 0.252 4.110 -3.426 1.00 0.00 ? 29 GLU A H 4 ATOM 2125 H HA . GLU A 1 29 ? -0.876 5.183 -0.882 1.00 0.00 ? 29 GLU A HA 4 ATOM 2126 H HB2 . GLU A 1 29 ? -0.848 6.918 -2.497 1.00 0.00 ? 29 GLU A HB2 4 ATOM 2127 H HB3 . GLU A 1 29 ? -1.384 5.848 -3.779 1.00 0.00 ? 29 GLU A HB3 4 ATOM 2128 H HG2 . GLU A 1 29 ? -3.113 7.403 -3.232 1.00 0.00 ? 29 GLU A HG2 4 ATOM 2129 H HG3 . GLU A 1 29 ? -3.636 5.765 -2.890 1.00 0.00 ? 29 GLU A HG3 4 ATOM 2130 N N . ARG A 1 30 ? -2.989 3.775 -0.885 1.00 0.00 ? 30 ARG A N 4 ATOM 2131 C CA . ARG A 1 30 ? -4.019 2.754 -0.630 1.00 0.00 ? 30 ARG A CA 4 ATOM 2132 C C . ARG A 1 30 ? -4.894 2.486 -1.882 1.00 0.00 ? 30 ARG A C 4 ATOM 2133 O O . ARG A 1 30 ? -5.452 3.440 -2.435 1.00 0.00 ? 30 ARG A O 4 ATOM 2134 C CB . ARG A 1 30 ? -4.807 3.168 0.629 1.00 0.00 ? 30 ARG A CB 4 ATOM 2135 C CG . ARG A 1 30 ? -5.951 2.218 1.017 1.00 0.00 ? 30 ARG A CG 4 ATOM 2136 C CD . ARG A 1 30 ? -7.295 2.639 0.399 1.00 0.00 ? 30 ARG A CD 4 ATOM 2137 N NE . ARG A 1 30 ? -8.102 1.485 -0.029 1.00 0.00 ? 30 ARG A NE 4 ATOM 2138 C CZ . ARG A 1 30 ? -8.734 0.606 0.721 1.00 0.00 ? 30 ARG A CZ 4 ATOM 2139 N NH1 . ARG A 1 30 ? -9.422 -0.342 0.162 1.00 0.00 ? 30 ARG A NH1 4 ATOM 2140 N NH2 . ARG A 1 30 ? -8.705 0.621 2.022 1.00 0.00 ? 30 ARG A NH2 4 ATOM 2141 H H . ARG A 1 30 ? -2.958 4.585 -0.272 1.00 0.00 ? 30 ARG A H 4 ATOM 2142 H HA . ARG A 1 30 ? -3.493 1.835 -0.383 1.00 0.00 ? 30 ARG A HA 4 ATOM 2143 H HB2 . ARG A 1 30 ? -4.104 3.196 1.463 1.00 0.00 ? 30 ARG A HB2 4 ATOM 2144 H HB3 . ARG A 1 30 ? -5.201 4.180 0.506 1.00 0.00 ? 30 ARG A HB3 4 ATOM 2145 H HG2 . ARG A 1 30 ? -5.693 1.201 0.715 1.00 0.00 ? 30 ARG A HG2 4 ATOM 2146 H HG3 . ARG A 1 30 ? -6.063 2.233 2.104 1.00 0.00 ? 30 ARG A HG3 4 ATOM 2147 H HD2 . ARG A 1 30 ? -7.850 3.242 1.120 1.00 0.00 ? 30 ARG A HD2 4 ATOM 2148 H HD3 . ARG A 1 30 ? -7.118 3.267 -0.474 1.00 0.00 ? 30 ARG A HD3 4 ATOM 2149 H HE . ARG A 1 30 ? -8.116 1.288 -1.024 1.00 0.00 ? 30 ARG A HE 4 ATOM 2150 H HH11 . ARG A 1 30 ? -9.506 -0.369 -0.842 1.00 0.00 ? 30 ARG A HH11 4 ATOM 2151 H HH12 . ARG A 1 30 ? -9.899 -1.007 0.753 1.00 0.00 ? 30 ARG A HH12 4 ATOM 2152 H HH21 . ARG A 1 30 ? -8.197 1.343 2.504 1.00 0.00 ? 30 ARG A HH21 4 ATOM 2153 H HH22 . ARG A 1 30 ? -9.137 -0.141 2.528 1.00 0.00 ? 30 ARG A HH22 4 ATOM 2154 N N . PRO A 1 31 ? -5.019 1.227 -2.355 1.00 0.00 ? 31 PRO A N 4 ATOM 2155 C CA . PRO A 1 31 ? -5.641 0.891 -3.642 1.00 0.00 ? 31 PRO A CA 4 ATOM 2156 C C . PRO A 1 31 ? -7.175 0.979 -3.642 1.00 0.00 ? 31 PRO A C 4 ATOM 2157 O O . PRO A 1 31 ? -7.841 0.565 -2.690 1.00 0.00 ? 31 PRO A O 4 ATOM 2158 C CB . PRO A 1 31 ? -5.159 -0.528 -3.972 1.00 0.00 ? 31 PRO A CB 4 ATOM 2159 C CG . PRO A 1 31 ? -4.939 -1.139 -2.590 1.00 0.00 ? 31 PRO A CG 4 ATOM 2160 C CD . PRO A 1 31 ? -4.397 0.038 -1.793 1.00 0.00 ? 31 PRO A CD 4 ATOM 2161 H HA . PRO A 1 31 ? -5.263 1.567 -4.409 1.00 0.00 ? 31 PRO A HA 4 ATOM 2162 H HB2 . PRO A 1 31 ? -5.888 -1.093 -4.554 1.00 0.00 ? 31 PRO A HB2 4 ATOM 2163 H HB3 . PRO A 1 31 ? -4.205 -0.477 -4.500 1.00 0.00 ? 31 PRO A HB3 4 ATOM 2164 H HG2 . PRO A 1 31 ? -5.894 -1.456 -2.170 1.00 0.00 ? 31 PRO A HG2 4 ATOM 2165 H HG3 . PRO A 1 31 ? -4.228 -1.963 -2.608 1.00 0.00 ? 31 PRO A HG3 4 ATOM 2166 H HD2 . PRO A 1 31 ? -4.636 -0.084 -0.736 1.00 0.00 ? 31 PRO A HD2 4 ATOM 2167 H HD3 . PRO A 1 31 ? -3.320 0.106 -1.934 1.00 0.00 ? 31 PRO A HD3 4 ATOM 2168 N N . SER A 1 32 ? -7.740 1.481 -4.745 1.00 0.00 ? 32 SER A N 4 ATOM 2169 C CA . SER A 1 32 ? -9.194 1.530 -4.992 1.00 0.00 ? 32 SER A CA 4 ATOM 2170 C C . SER A 1 32 ? -9.730 0.259 -5.680 1.00 0.00 ? 32 SER A C 4 ATOM 2171 O O . SER A 1 32 ? -10.861 -0.166 -5.422 1.00 0.00 ? 32 SER A O 4 ATOM 2172 C CB . SER A 1 32 ? -9.504 2.779 -5.829 1.00 0.00 ? 32 SER A CB 4 ATOM 2173 O OG . SER A 1 32 ? -10.897 2.941 -6.033 1.00 0.00 ? 32 SER A OG 4 ATOM 2174 H H . SER A 1 32 ? -7.126 1.828 -5.469 1.00 0.00 ? 32 SER A H 4 ATOM 2175 H HA . SER A 1 32 ? -9.713 1.630 -4.041 1.00 0.00 ? 32 SER A HA 4 ATOM 2176 H HB2 . SER A 1 32 ? -9.115 3.657 -5.311 1.00 0.00 ? 32 SER A HB2 4 ATOM 2177 H HB3 . SER A 1 32 ? -9.004 2.698 -6.797 1.00 0.00 ? 32 SER A HB3 4 ATOM 2178 H HG . SER A 1 32 ? -11.032 3.756 -6.540 1.00 0.00 ? 32 SER A HG 4 ATOM 2179 N N . GLY A 1 33 ? -8.907 -0.376 -6.527 1.00 0.00 ? 33 GLY A N 4 ATOM 2180 C CA . GLY A 1 33 ? -9.238 -1.583 -7.305 1.00 0.00 ? 33 GLY A CA 4 ATOM 2181 C C . GLY A 1 33 ? -8.096 -2.044 -8.208 1.00 0.00 ? 33 GLY A C 4 ATOM 2182 O O . GLY A 1 33 ? -7.559 -3.147 -7.966 1.00 0.00 ? 33 GLY A O 4 ATOM 2183 O OXT . GLY A 1 33 ? -7.751 -1.295 -9.149 1.00 0.00 ? 33 GLY A OXT 4 ATOM 2184 H H . GLY A 1 33 ? -7.995 0.031 -6.668 1.00 0.00 ? 33 GLY A H 4 ATOM 2185 H HA2 . GLY A 1 33 ? -9.491 -2.398 -6.629 1.00 0.00 ? 33 GLY A HA2 4 ATOM 2186 H HA3 . GLY A 1 33 ? -10.105 -1.386 -7.936 1.00 0.00 ? 33 GLY A HA3 4 HETATM 2187 C C1 . GAL B 2 . ? 12.830 2.471 0.421 1.00 0.00 ? 101 GAL A C1 4 HETATM 2188 C C2 . GAL B 2 . ? 12.715 3.982 0.110 1.00 0.00 ? 101 GAL A C2 4 HETATM 2189 C C3 . GAL B 2 . ? 11.667 4.188 -1.001 1.00 0.00 ? 101 GAL A C3 4 HETATM 2190 C C4 . GAL B 2 . ? 12.000 3.352 -2.251 1.00 0.00 ? 101 GAL A C4 4 HETATM 2191 C C5 . GAL B 2 . ? 12.190 1.863 -1.885 1.00 0.00 ? 101 GAL A C5 4 HETATM 2192 C C6 . GAL B 2 . ? 12.590 0.955 -3.062 1.00 0.00 ? 101 GAL A C6 4 HETATM 2193 O O2 . GAL B 2 . ? 12.323 4.738 1.294 1.00 0.00 ? 101 GAL A O2 4 HETATM 2194 O O3 . GAL B 2 . ? 11.615 5.589 -1.381 1.00 0.00 ? 101 GAL A O3 4 HETATM 2195 O O4 . GAL B 2 . ? 13.217 3.879 -2.839 1.00 0.00 ? 101 GAL A O4 4 HETATM 2196 O O5 . GAL B 2 . ? 13.190 1.737 -0.794 1.00 0.00 ? 101 GAL A O5 4 HETATM 2197 O O6 . GAL B 2 . ? 13.900 1.317 -3.538 1.00 0.00 ? 101 GAL A O6 4 HETATM 2198 H H1 . GAL B 2 . ? 11.873 2.094 0.781 1.00 0.00 ? 101 GAL A H1 4 HETATM 2199 H H2 . GAL B 2 . ? 13.683 4.354 -0.229 1.00 0.00 ? 101 GAL A H2 4 HETATM 2200 H H3 . GAL B 2 . ? 10.687 3.889 -0.631 1.00 0.00 ? 101 GAL A H3 4 HETATM 2201 H H4 . GAL B 2 . ? 11.192 3.446 -2.977 1.00 0.00 ? 101 GAL A H4 4 HETATM 2202 H H5 . GAL B 2 . ? 11.236 1.498 -1.505 1.00 0.00 ? 101 GAL A H5 4 HETATM 2203 H H61 . GAL B 2 . ? 12.607 -0.088 -2.742 1.00 0.00 ? 101 GAL A H61 4 HETATM 2204 H H62 . GAL B 2 . ? 11.867 1.064 -3.873 1.00 0.00 ? 101 GAL A H62 4 HETATM 2205 H HO2 . GAL B 2 . ? 11.672 4.225 1.812 1.00 0.00 ? 101 GAL A HO2 4 HETATM 2206 H HO3 . GAL B 2 . ? 11.529 6.111 -0.568 1.00 0.00 ? 101 GAL A HO3 4 HETATM 2207 H HO4 . GAL B 2 . ? 13.101 4.841 -2.909 1.00 0.00 ? 101 GAL A HO4 4 HETATM 2208 H HO6 . GAL B 2 . ? 13.954 2.284 -3.422 1.00 0.00 ? 101 GAL A HO6 4 ATOM 2209 N N . LYS A 1 1 ? -11.544 -3.926 3.542 1.00 0.00 ? 1 LYS A N 5 ATOM 2210 C CA . LYS A 1 1 ? -10.665 -2.725 3.539 1.00 0.00 ? 1 LYS A CA 5 ATOM 2211 C C . LYS A 1 1 ? -9.963 -2.553 2.187 1.00 0.00 ? 1 LYS A C 5 ATOM 2212 O O . LYS A 1 1 ? -10.320 -1.653 1.425 1.00 0.00 ? 1 LYS A O 5 ATOM 2213 C CB . LYS A 1 1 ? -9.693 -2.723 4.741 1.00 0.00 ? 1 LYS A CB 5 ATOM 2214 C CG . LYS A 1 1 ? -8.855 -1.436 4.840 1.00 0.00 ? 1 LYS A CG 5 ATOM 2215 C CD . LYS A 1 1 ? -7.877 -1.508 6.026 1.00 0.00 ? 1 LYS A CD 5 ATOM 2216 C CE . LYS A 1 1 ? -6.984 -0.265 6.136 1.00 0.00 ? 1 LYS A CE 5 ATOM 2217 N NZ . LYS A 1 1 ? -7.750 0.951 6.520 1.00 0.00 ? 1 LYS A NZ 5 ATOM 2218 H H1 . LYS A 1 1 ? -12.058 -3.981 4.409 1.00 0.00 ? 1 LYS A H1 5 ATOM 2219 H H2 . LYS A 1 1 ? -11.005 -4.774 3.443 1.00 0.00 ? 1 LYS A H2 5 ATOM 2220 H H3 . LYS A 1 1 ? -12.213 -3.881 2.787 1.00 0.00 ? 1 LYS A H3 5 ATOM 2221 H HA . LYS A 1 1 ? -11.308 -1.851 3.649 1.00 0.00 ? 1 LYS A HA 5 ATOM 2222 H HB2 . LYS A 1 1 ? -10.273 -2.824 5.661 1.00 0.00 ? 1 LYS A HB2 5 ATOM 2223 H HB3 . LYS A 1 1 ? -9.022 -3.581 4.672 1.00 0.00 ? 1 LYS A HB3 5 ATOM 2224 H HG2 . LYS A 1 1 ? -8.280 -1.294 3.925 1.00 0.00 ? 1 LYS A HG2 5 ATOM 2225 H HG3 . LYS A 1 1 ? -9.527 -0.586 4.969 1.00 0.00 ? 1 LYS A HG3 5 ATOM 2226 H HD2 . LYS A 1 1 ? -8.433 -1.641 6.956 1.00 0.00 ? 1 LYS A HD2 5 ATOM 2227 H HD3 . LYS A 1 1 ? -7.229 -2.377 5.892 1.00 0.00 ? 1 LYS A HD3 5 ATOM 2228 H HE2 . LYS A 1 1 ? -6.216 -0.459 6.889 1.00 0.00 ? 1 LYS A HE2 5 ATOM 2229 H HE3 . LYS A 1 1 ? -6.479 -0.104 5.179 1.00 0.00 ? 1 LYS A HE3 5 ATOM 2230 H HZ1 . LYS A 1 1 ? -8.454 1.181 5.833 1.00 0.00 ? 1 LYS A HZ1 5 ATOM 2231 H HZ2 . LYS A 1 1 ? -8.212 0.825 7.411 1.00 0.00 ? 1 LYS A HZ2 5 ATOM 2232 H HZ3 . LYS A 1 1 ? -7.137 1.751 6.609 1.00 0.00 ? 1 LYS A HZ3 5 ATOM 2233 N N . LEU A 1 2 ? -8.977 -3.400 1.872 1.00 0.00 ? 2 LEU A N 5 ATOM 2234 C CA . LEU A 1 2 ? -8.316 -3.475 0.557 1.00 0.00 ? 2 LEU A CA 5 ATOM 2235 C C . LEU A 1 2 ? -9.211 -4.223 -0.471 1.00 0.00 ? 2 LEU A C 5 ATOM 2236 O O . LEU A 1 2 ? -9.999 -5.087 -0.062 1.00 0.00 ? 2 LEU A O 5 ATOM 2237 C CB . LEU A 1 2 ? -6.956 -4.186 0.727 1.00 0.00 ? 2 LEU A CB 5 ATOM 2238 C CG . LEU A 1 2 ? -5.754 -3.264 1.023 1.00 0.00 ? 2 LEU A CG 5 ATOM 2239 C CD1 . LEU A 1 2 ? -5.929 -2.332 2.220 1.00 0.00 ? 2 LEU A CD1 5 ATOM 2240 C CD2 . LEU A 1 2 ? -4.519 -4.122 1.294 1.00 0.00 ? 2 LEU A CD2 5 ATOM 2241 H H . LEU A 1 2 ? -8.714 -4.099 2.553 1.00 0.00 ? 2 LEU A H 5 ATOM 2242 H HA . LEU A 1 2 ? -8.136 -2.463 0.201 1.00 0.00 ? 2 LEU A HA 5 ATOM 2243 H HB2 . LEU A 1 2 ? -7.039 -4.940 1.515 1.00 0.00 ? 2 LEU A HB2 5 ATOM 2244 H HB3 . LEU A 1 2 ? -6.726 -4.711 -0.203 1.00 0.00 ? 2 LEU A HB3 5 ATOM 2245 H HG . LEU A 1 2 ? -5.561 -2.650 0.146 1.00 0.00 ? 2 LEU A HG 5 ATOM 2246 H HD11 . LEU A 1 2 ? -6.740 -1.631 2.030 1.00 0.00 ? 2 LEU A HD11 5 ATOM 2247 H HD12 . LEU A 1 2 ? -6.143 -2.911 3.120 1.00 0.00 ? 2 LEU A HD12 5 ATOM 2248 H HD13 . LEU A 1 2 ? -5.010 -1.762 2.362 1.00 0.00 ? 2 LEU A HD13 5 ATOM 2249 H HD21 . LEU A 1 2 ? -4.289 -4.702 0.406 1.00 0.00 ? 2 LEU A HD21 5 ATOM 2250 H HD22 . LEU A 1 2 ? -3.663 -3.494 1.531 1.00 0.00 ? 2 LEU A HD22 5 ATOM 2251 H HD23 . LEU A 1 2 ? -4.705 -4.796 2.131 1.00 0.00 ? 2 LEU A HD23 5 ATOM 2252 N N . PRO A 1 3 ? -9.103 -3.942 -1.789 1.00 0.00 ? 3 PRO A N 5 ATOM 2253 C CA . PRO A 1 3 ? -9.809 -4.685 -2.843 1.00 0.00 ? 3 PRO A CA 5 ATOM 2254 C C . PRO A 1 3 ? -9.270 -6.124 -3.031 1.00 0.00 ? 3 PRO A C 5 ATOM 2255 O O . PRO A 1 3 ? -8.218 -6.467 -2.479 1.00 0.00 ? 3 PRO A O 5 ATOM 2256 C CB . PRO A 1 3 ? -9.649 -3.857 -4.130 1.00 0.00 ? 3 PRO A CB 5 ATOM 2257 C CG . PRO A 1 3 ? -9.099 -2.510 -3.669 1.00 0.00 ? 3 PRO A CG 5 ATOM 2258 C CD . PRO A 1 3 ? -8.349 -2.857 -2.391 1.00 0.00 ? 3 PRO A CD 5 ATOM 2259 H HA . PRO A 1 3 ? -10.866 -4.729 -2.581 1.00 0.00 ? 3 PRO A HA 5 ATOM 2260 H HB2 . PRO A 1 3 ? -8.930 -4.326 -4.801 1.00 0.00 ? 3 PRO A HB2 5 ATOM 2261 H HB3 . PRO A 1 3 ? -10.606 -3.730 -4.640 1.00 0.00 ? 3 PRO A HB3 5 ATOM 2262 H HG2 . PRO A 1 3 ? -8.436 -2.073 -4.413 1.00 0.00 ? 3 PRO A HG2 5 ATOM 2263 H HG3 . PRO A 1 3 ? -9.924 -1.834 -3.438 1.00 0.00 ? 3 PRO A HG3 5 ATOM 2264 H HD2 . PRO A 1 3 ? -7.346 -3.212 -2.633 1.00 0.00 ? 3 PRO A HD2 5 ATOM 2265 H HD3 . PRO A 1 3 ? -8.305 -1.973 -1.758 1.00 0.00 ? 3 PRO A HD3 5 ATOM 2266 N N . PRO A 1 4 ? -9.937 -6.977 -3.837 1.00 0.00 ? 4 PRO A N 5 ATOM 2267 C CA . PRO A 1 4 ? -9.510 -8.358 -4.088 1.00 0.00 ? 4 PRO A CA 5 ATOM 2268 C C . PRO A 1 4 ? -8.064 -8.485 -4.597 1.00 0.00 ? 4 PRO A C 5 ATOM 2269 O O . PRO A 1 4 ? -7.633 -7.761 -5.499 1.00 0.00 ? 4 PRO A O 5 ATOM 2270 C CB . PRO A 1 4 ? -10.518 -8.929 -5.091 1.00 0.00 ? 4 PRO A CB 5 ATOM 2271 C CG . PRO A 1 4 ? -11.781 -8.117 -4.810 1.00 0.00 ? 4 PRO A CG 5 ATOM 2272 C CD . PRO A 1 4 ? -11.221 -6.734 -4.482 1.00 0.00 ? 4 PRO A CD 5 ATOM 2273 H HA . PRO A 1 4 ? -9.607 -8.909 -3.151 1.00 0.00 ? 4 PRO A HA 5 ATOM 2274 H HB2 . PRO A 1 4 ? -10.187 -8.736 -6.113 1.00 0.00 ? 4 PRO A HB2 5 ATOM 2275 H HB3 . PRO A 1 4 ? -10.682 -9.997 -4.935 1.00 0.00 ? 4 PRO A HB3 5 ATOM 2276 H HG2 . PRO A 1 4 ? -12.448 -8.090 -5.673 1.00 0.00 ? 4 PRO A HG2 5 ATOM 2277 H HG3 . PRO A 1 4 ? -12.295 -8.523 -3.936 1.00 0.00 ? 4 PRO A HG3 5 ATOM 2278 H HD2 . PRO A 1 4 ? -11.064 -6.173 -5.404 1.00 0.00 ? 4 PRO A HD2 5 ATOM 2279 H HD3 . PRO A 1 4 ? -11.913 -6.203 -3.826 1.00 0.00 ? 4 PRO A HD3 5 ATOM 2280 N N . GLY A 1 5 ? -7.308 -9.420 -4.012 1.00 0.00 ? 5 GLY A N 5 ATOM 2281 C CA . GLY A 1 5 ? -5.903 -9.704 -4.340 1.00 0.00 ? 5 GLY A CA 5 ATOM 2282 C C . GLY A 1 5 ? -4.865 -8.739 -3.751 1.00 0.00 ? 5 GLY A C 5 ATOM 2283 O O . GLY A 1 5 ? -3.683 -9.084 -3.714 1.00 0.00 ? 5 GLY A O 5 ATOM 2284 H H . GLY A 1 5 ? -7.733 -9.972 -3.280 1.00 0.00 ? 5 GLY A H 5 ATOM 2285 H HA2 . GLY A 1 5 ? -5.661 -10.707 -3.983 1.00 0.00 ? 5 GLY A HA2 5 ATOM 2286 H HA3 . GLY A 1 5 ? -5.785 -9.682 -5.426 1.00 0.00 ? 5 GLY A HA3 5 ATOM 2287 N N . TRP A 1 6 ? -5.268 -7.561 -3.264 1.00 0.00 ? 6 TRP A N 5 ATOM 2288 C CA . TRP A 1 6 ? -4.374 -6.603 -2.605 1.00 0.00 ? 6 TRP A CA 5 ATOM 2289 C C . TRP A 1 6 ? -4.025 -6.972 -1.156 1.00 0.00 ? 6 TRP A C 5 ATOM 2290 O O . TRP A 1 6 ? -4.885 -7.396 -0.381 1.00 0.00 ? 6 TRP A O 5 ATOM 2291 C CB . TRP A 1 6 ? -4.947 -5.184 -2.677 1.00 0.00 ? 6 TRP A CB 5 ATOM 2292 C CG . TRP A 1 6 ? -4.965 -4.533 -4.026 1.00 0.00 ? 6 TRP A CG 5 ATOM 2293 C CD1 . TRP A 1 6 ? -5.954 -4.658 -4.938 1.00 0.00 ? 6 TRP A CD1 5 ATOM 2294 C CD2 . TRP A 1 6 ? -3.883 -3.835 -4.719 1.00 0.00 ? 6 TRP A CD2 5 ATOM 2295 N NE1 . TRP A 1 6 ? -5.623 -3.966 -6.085 1.00 0.00 ? 6 TRP A NE1 5 ATOM 2296 C CE2 . TRP A 1 6 ? -4.343 -3.461 -6.018 1.00 0.00 ? 6 TRP A CE2 5 ATOM 2297 C CE3 . TRP A 1 6 ? -2.572 -3.445 -4.366 1.00 0.00 ? 6 TRP A CE3 5 ATOM 2298 C CZ2 . TRP A 1 6 ? -3.548 -2.735 -6.917 1.00 0.00 ? 6 TRP A CZ2 5 ATOM 2299 C CZ3 . TRP A 1 6 ? -1.764 -2.719 -5.263 1.00 0.00 ? 6 TRP A CZ3 5 ATOM 2300 C CH2 . TRP A 1 6 ? -2.248 -2.363 -6.535 1.00 0.00 ? 6 TRP A CH2 5 ATOM 2301 H H . TRP A 1 6 ? -6.254 -7.340 -3.293 1.00 0.00 ? 6 TRP A H 5 ATOM 2302 H HA . TRP A 1 6 ? -3.435 -6.581 -3.154 1.00 0.00 ? 6 TRP A HA 5 ATOM 2303 H HB2 . TRP A 1 6 ? -5.962 -5.194 -2.281 1.00 0.00 ? 6 TRP A HB2 5 ATOM 2304 H HB3 . TRP A 1 6 ? -4.340 -4.548 -2.028 1.00 0.00 ? 6 TRP A HB3 5 ATOM 2305 H HD1 . TRP A 1 6 ? -6.883 -5.192 -4.772 1.00 0.00 ? 6 TRP A HD1 5 ATOM 2306 H HE1 . TRP A 1 6 ? -6.284 -3.803 -6.854 1.00 0.00 ? 6 TRP A HE1 5 ATOM 2307 H HE3 . TRP A 1 6 ? -2.198 -3.698 -3.384 1.00 0.00 ? 6 TRP A HE3 5 ATOM 2308 H HZ2 . TRP A 1 6 ? -3.934 -2.467 -7.891 1.00 0.00 ? 6 TRP A HZ2 5 ATOM 2309 H HZ3 . TRP A 1 6 ? -0.766 -2.423 -4.972 1.00 0.00 ? 6 TRP A HZ3 5 ATOM 2310 H HH2 . TRP A 1 6 ? -1.621 -1.801 -7.214 1.00 0.00 ? 6 TRP A HH2 5 ATOM 2311 N N . GLU A 1 7 ? -2.772 -6.731 -0.771 1.00 0.00 ? 7 GLU A N 5 ATOM 2312 C CA . GLU A 1 7 ? -2.233 -6.852 0.591 1.00 0.00 ? 7 GLU A CA 5 ATOM 2313 C C . GLU A 1 7 ? -1.191 -5.753 0.879 1.00 0.00 ? 7 GLU A C 5 ATOM 2314 O O . GLU A 1 7 ? -0.569 -5.214 -0.044 1.00 0.00 ? 7 GLU A O 5 ATOM 2315 C CB . GLU A 1 7 ? -1.583 -8.238 0.786 1.00 0.00 ? 7 GLU A CB 5 ATOM 2316 C CG . GLU A 1 7 ? -2.553 -9.432 0.820 1.00 0.00 ? 7 GLU A CG 5 ATOM 2317 C CD . GLU A 1 7 ? -3.529 -9.437 2.018 1.00 0.00 ? 7 GLU A CD 5 ATOM 2318 O OE1 . GLU A 1 7 ? -4.442 -10.299 2.040 1.00 0.00 ? 7 GLU A OE1 5 ATOM 2319 O OE2 . GLU A 1 7 ? -3.376 -8.630 2.969 1.00 0.00 ? 7 GLU A OE2 5 ATOM 2320 H H . GLU A 1 7 ? -2.109 -6.434 -1.480 1.00 0.00 ? 7 GLU A H 5 ATOM 2321 H HA . GLU A 1 7 ? -3.039 -6.729 1.315 1.00 0.00 ? 7 GLU A HA 5 ATOM 2322 H HB2 . GLU A 1 7 ? -0.873 -8.404 -0.026 1.00 0.00 ? 7 GLU A HB2 5 ATOM 2323 H HB3 . GLU A 1 7 ? -1.013 -8.238 1.717 1.00 0.00 ? 7 GLU A HB3 5 ATOM 2324 H HG2 . GLU A 1 7 ? -3.111 -9.472 -0.117 1.00 0.00 ? 7 GLU A HG2 5 ATOM 2325 H HG3 . GLU A 1 7 ? -1.950 -10.343 0.866 1.00 0.00 ? 7 GLU A HG3 5 ATOM 2326 N N . LYS A 1 8 ? -0.974 -5.415 2.157 1.00 0.00 ? 8 LYS A N 5 ATOM 2327 C CA . LYS A 1 8 ? 0.147 -4.549 2.567 1.00 0.00 ? 8 LYS A CA 5 ATOM 2328 C C . LYS A 1 8 ? 1.485 -5.289 2.462 1.00 0.00 ? 8 LYS A C 5 ATOM 2329 O O . LYS A 1 8 ? 1.565 -6.493 2.727 1.00 0.00 ? 8 LYS A O 5 ATOM 2330 C CB . LYS A 1 8 ? -0.055 -3.964 3.975 1.00 0.00 ? 8 LYS A CB 5 ATOM 2331 C CG . LYS A 1 8 ? -0.940 -2.711 3.916 1.00 0.00 ? 8 LYS A CG 5 ATOM 2332 C CD . LYS A 1 8 ? -1.241 -2.126 5.304 1.00 0.00 ? 8 LYS A CD 5 ATOM 2333 C CE . LYS A 1 8 ? 0.012 -1.544 5.974 1.00 0.00 ? 8 LYS A CE 5 ATOM 2334 N NZ . LYS A 1 8 ? -0.303 -0.976 7.311 1.00 0.00 ? 8 LYS A NZ 5 ATOM 2335 H H . LYS A 1 8 ? -1.508 -5.886 2.876 1.00 0.00 ? 8 LYS A H 5 ATOM 2336 H HA . LYS A 1 8 ? 0.204 -3.709 1.870 1.00 0.00 ? 8 LYS A HA 5 ATOM 2337 H HB2 . LYS A 1 8 ? -0.501 -4.714 4.630 1.00 0.00 ? 8 LYS A HB2 5 ATOM 2338 H HB3 . LYS A 1 8 ? 0.916 -3.681 4.385 1.00 0.00 ? 8 LYS A HB3 5 ATOM 2339 H HG2 . LYS A 1 8 ? -0.440 -1.948 3.314 1.00 0.00 ? 8 LYS A HG2 5 ATOM 2340 H HG3 . LYS A 1 8 ? -1.880 -2.977 3.433 1.00 0.00 ? 8 LYS A HG3 5 ATOM 2341 H HD2 . LYS A 1 8 ? -1.980 -1.331 5.187 1.00 0.00 ? 8 LYS A HD2 5 ATOM 2342 H HD3 . LYS A 1 8 ? -1.672 -2.905 5.936 1.00 0.00 ? 8 LYS A HD3 5 ATOM 2343 H HE2 . LYS A 1 8 ? 0.771 -2.325 6.077 1.00 0.00 ? 8 LYS A HE2 5 ATOM 2344 H HE3 . LYS A 1 8 ? 0.425 -0.764 5.329 1.00 0.00 ? 8 LYS A HE3 5 ATOM 2345 H HZ1 . LYS A 1 8 ? 0.525 -0.593 7.749 1.00 0.00 ? 8 LYS A HZ1 5 ATOM 2346 H HZ2 . LYS A 1 8 ? -0.984 -0.232 7.242 1.00 0.00 ? 8 LYS A HZ2 5 ATOM 2347 H HZ3 . LYS A 1 8 ? -0.676 -1.682 7.931 1.00 0.00 ? 8 LYS A HZ3 5 ATOM 2348 N N . ARG A 1 9 ? 2.535 -4.556 2.094 1.00 0.00 ? 9 ARG A N 5 ATOM 2349 C CA . ARG A 1 9 ? 3.908 -5.051 1.871 1.00 0.00 ? 9 ARG A CA 5 ATOM 2350 C C . ARG A 1 9 ? 4.932 -3.997 2.319 1.00 0.00 ? 9 ARG A C 5 ATOM 2351 O O . ARG A 1 9 ? 4.561 -2.857 2.605 1.00 0.00 ? 9 ARG A O 5 ATOM 2352 C CB . ARG A 1 9 ? 4.021 -5.462 0.386 1.00 0.00 ? 9 ARG A CB 5 ATOM 2353 C CG . ARG A 1 9 ? 5.229 -6.358 0.076 1.00 0.00 ? 9 ARG A CG 5 ATOM 2354 C CD . ARG A 1 9 ? 5.076 -7.021 -1.300 1.00 0.00 ? 9 ARG A CD 5 ATOM 2355 N NE . ARG A 1 9 ? 6.264 -7.833 -1.631 1.00 0.00 ? 9 ARG A NE 5 ATOM 2356 C CZ . ARG A 1 9 ? 6.668 -8.197 -2.836 1.00 0.00 ? 9 ARG A CZ 5 ATOM 2357 N NH1 . ARG A 1 9 ? 5.977 -7.950 -3.912 1.00 0.00 ? 9 ARG A NH1 5 ATOM 2358 N NH2 . ARG A 1 9 ? 7.794 -8.832 -2.984 1.00 0.00 ? 9 ARG A NH2 5 ATOM 2359 H H . ARG A 1 9 ? 2.360 -3.569 1.921 1.00 0.00 ? 9 ARG A H 5 ATOM 2360 H HA . ARG A 1 9 ? 4.069 -5.935 2.491 1.00 0.00 ? 9 ARG A HA 5 ATOM 2361 H HB2 . ARG A 1 9 ? 3.121 -6.022 0.123 1.00 0.00 ? 9 ARG A HB2 5 ATOM 2362 H HB3 . ARG A 1 9 ? 4.055 -4.569 -0.241 1.00 0.00 ? 9 ARG A HB3 5 ATOM 2363 H HG2 . ARG A 1 9 ? 6.142 -5.762 0.087 1.00 0.00 ? 9 ARG A HG2 5 ATOM 2364 H HG3 . ARG A 1 9 ? 5.298 -7.145 0.831 1.00 0.00 ? 9 ARG A HG3 5 ATOM 2365 H HD2 . ARG A 1 9 ? 4.192 -7.664 -1.292 1.00 0.00 ? 9 ARG A HD2 5 ATOM 2366 H HD3 . ARG A 1 9 ? 4.944 -6.237 -2.049 1.00 0.00 ? 9 ARG A HD3 5 ATOM 2367 H HE . ARG A 1 9 ? 6.864 -8.099 -0.866 1.00 0.00 ? 9 ARG A HE 5 ATOM 2368 H HH11 . ARG A 1 9 ? 5.056 -7.552 -3.831 1.00 0.00 ? 9 ARG A HH11 5 ATOM 2369 H HH12 . ARG A 1 9 ? 6.304 -8.264 -4.810 1.00 0.00 ? 9 ARG A HH12 5 ATOM 2370 H HH21 . ARG A 1 9 ? 8.365 -9.044 -2.182 1.00 0.00 ? 9 ARG A HH21 5 ATOM 2371 H HH22 . ARG A 1 9 ? 8.102 -9.110 -3.902 1.00 0.00 ? 9 ARG A HH22 5 ATOM 2372 N N . MET A 1 10 ? 6.212 -4.356 2.417 1.00 0.00 ? 10 MET A N 5 ATOM 2373 C CA . MET A 1 10 ? 7.242 -3.484 2.999 1.00 0.00 ? 10 MET A CA 5 ATOM 2374 C C . MET A 1 10 ? 8.642 -3.807 2.462 1.00 0.00 ? 10 MET A C 5 ATOM 2375 O O . MET A 1 10 ? 9.040 -4.970 2.356 1.00 0.00 ? 10 MET A O 5 ATOM 2376 C CB . MET A 1 10 ? 7.204 -3.604 4.534 1.00 0.00 ? 10 MET A CB 5 ATOM 2377 C CG . MET A 1 10 ? 8.078 -2.557 5.239 1.00 0.00 ? 10 MET A CG 5 ATOM 2378 S SD . MET A 1 10 ? 8.159 -2.710 7.045 1.00 0.00 ? 10 MET A SD 5 ATOM 2379 C CE . MET A 1 10 ? 9.262 -4.145 7.194 1.00 0.00 ? 10 MET A CE 5 ATOM 2380 H H . MET A 1 10 ? 6.471 -5.300 2.173 1.00 0.00 ? 10 MET A H 5 ATOM 2381 H HA . MET A 1 10 ? 7.008 -2.455 2.729 1.00 0.00 ? 10 MET A HA 5 ATOM 2382 H HB2 . MET A 1 10 ? 6.179 -3.476 4.884 1.00 0.00 ? 10 MET A HB2 5 ATOM 2383 H HB3 . MET A 1 10 ? 7.537 -4.603 4.819 1.00 0.00 ? 10 MET A HB3 5 ATOM 2384 H HG2 . MET A 1 10 ? 9.094 -2.600 4.850 1.00 0.00 ? 10 MET A HG2 5 ATOM 2385 H HG3 . MET A 1 10 ? 7.671 -1.574 5.011 1.00 0.00 ? 10 MET A HG3 5 ATOM 2386 H HE1 . MET A 1 10 ? 9.461 -4.343 8.247 1.00 0.00 ? 10 MET A HE1 5 ATOM 2387 H HE2 . MET A 1 10 ? 8.793 -5.024 6.750 1.00 0.00 ? 10 MET A HE2 5 ATOM 2388 H HE3 . MET A 1 10 ? 10.203 -3.940 6.684 1.00 0.00 ? 10 MET A HE3 5 ATOM 2389 N N . PHE A 1 11 ? 9.385 -2.753 2.126 1.00 0.00 ? 11 PHE A N 5 ATOM 2390 C CA . PHE A 1 11 ? 10.778 -2.790 1.680 1.00 0.00 ? 11 PHE A CA 5 ATOM 2391 C C . PHE A 1 11 ? 11.809 -3.117 2.776 1.00 0.00 ? 11 PHE A C 5 ATOM 2392 O O . PHE A 1 11 ? 11.543 -2.929 3.966 1.00 0.00 ? 11 PHE A O 5 ATOM 2393 C CB . PHE A 1 11 ? 11.106 -1.472 0.963 1.00 0.00 ? 11 PHE A CB 5 ATOM 2394 C CG . PHE A 1 11 ? 10.411 -1.272 -0.369 1.00 0.00 ? 11 PHE A CG 5 ATOM 2395 C CD1 . PHE A 1 11 ? 9.370 -0.331 -0.477 1.00 0.00 ? 11 PHE A CD1 5 ATOM 2396 C CD2 . PHE A 1 11 ? 10.813 -2.001 -1.505 1.00 0.00 ? 11 PHE A CD2 5 ATOM 2397 C CE1 . PHE A 1 11 ? 8.737 -0.115 -1.712 1.00 0.00 ? 11 PHE A CE1 5 ATOM 2398 C CE2 . PHE A 1 11 ? 10.174 -1.789 -2.741 1.00 0.00 ? 11 PHE A CE2 5 ATOM 2399 C CZ . PHE A 1 11 ? 9.137 -0.844 -2.846 1.00 0.00 ? 11 PHE A CZ 5 ATOM 2400 H H . PHE A 1 11 ? 8.972 -1.834 2.255 1.00 0.00 ? 11 PHE A H 5 ATOM 2401 H HA . PHE A 1 11 ? 10.866 -3.587 0.941 1.00 0.00 ? 11 PHE A HA 5 ATOM 2402 H HB2 . PHE A 1 11 ? 10.834 -0.651 1.626 1.00 0.00 ? 11 PHE A HB2 5 ATOM 2403 H HB3 . PHE A 1 11 ? 12.183 -1.423 0.780 1.00 0.00 ? 11 PHE A HB3 5 ATOM 2404 H HD1 . PHE A 1 11 ? 9.052 0.229 0.390 1.00 0.00 ? 11 PHE A HD1 5 ATOM 2405 H HD2 . PHE A 1 11 ? 11.614 -2.724 -1.431 1.00 0.00 ? 11 PHE A HD2 5 ATOM 2406 H HE1 . PHE A 1 11 ? 7.925 0.598 -1.780 1.00 0.00 ? 11 PHE A HE1 5 ATOM 2407 H HE2 . PHE A 1 11 ? 10.479 -2.353 -3.612 1.00 0.00 ? 11 PHE A HE2 5 ATOM 2408 H HZ . PHE A 1 11 ? 8.639 -0.686 -3.793 1.00 0.00 ? 11 PHE A HZ 5 ATOM 2409 N N . ALA A 1 12 ? 13.018 -3.539 2.388 1.00 0.00 ? 12 ALA A N 5 ATOM 2410 C CA . ALA A 1 12 ? 14.116 -3.841 3.320 1.00 0.00 ? 12 ALA A CA 5 ATOM 2411 C C . ALA A 1 12 ? 14.590 -2.621 4.150 1.00 0.00 ? 12 ALA A C 5 ATOM 2412 O O . ALA A 1 12 ? 15.148 -2.787 5.238 1.00 0.00 ? 12 ALA A O 5 ATOM 2413 C CB . ALA A 1 12 ? 15.270 -4.437 2.506 1.00 0.00 ? 12 ALA A CB 5 ATOM 2414 H H . ALA A 1 12 ? 13.188 -3.676 1.401 1.00 0.00 ? 12 ALA A H 5 ATOM 2415 H HA . ALA A 1 12 ? 13.770 -4.597 4.027 1.00 0.00 ? 12 ALA A HA 5 ATOM 2416 H HB1 . ALA A 1 12 ? 14.929 -5.326 1.971 1.00 0.00 ? 12 ALA A HB1 5 ATOM 2417 H HB2 . ALA A 1 12 ? 15.642 -3.705 1.788 1.00 0.00 ? 12 ALA A HB2 5 ATOM 2418 H HB3 . ALA A 1 12 ? 16.083 -4.722 3.175 1.00 0.00 ? 12 ALA A HB3 5 ATOM 2419 N N . ASN A 1 13 ? 14.342 -1.399 3.662 1.00 0.00 ? 13 ASN A N 5 ATOM 2420 C CA . ASN A 1 13 ? 14.593 -0.132 4.367 1.00 0.00 ? 13 ASN A CA 5 ATOM 2421 C C . ASN A 1 13 ? 13.507 0.245 5.410 1.00 0.00 ? 13 ASN A C 5 ATOM 2422 O O . ASN A 1 13 ? 13.664 1.244 6.120 1.00 0.00 ? 13 ASN A O 5 ATOM 2423 C CB . ASN A 1 13 ? 14.801 0.987 3.321 1.00 0.00 ? 13 ASN A CB 5 ATOM 2424 C CG . ASN A 1 13 ? 13.603 1.228 2.412 1.00 0.00 ? 13 ASN A CG 5 ATOM 2425 O OD1 . ASN A 1 13 ? 12.486 0.831 2.729 1.00 0.00 ? 13 ASN A OD1 5 ATOM 2426 N ND2 . ASN A 1 13 ? 13.822 1.893 1.287 1.00 0.00 ? 13 ASN A ND2 5 ATOM 2427 H H . ASN A 1 13 ? 13.889 -1.349 2.761 1.00 0.00 ? 13 ASN A H 5 ATOM 2428 H HA . ASN A 1 13 ? 15.525 -0.234 4.926 1.00 0.00 ? 13 ASN A HA 5 ATOM 2429 H HB2 . ASN A 1 13 ? 15.032 1.924 3.833 1.00 0.00 ? 13 ASN A HB2 5 ATOM 2430 H HB3 . ASN A 1 13 ? 15.657 0.717 2.697 1.00 0.00 ? 13 ASN A HB3 5 ATOM 2431 H HD21 . ASN A 1 13 ? 14.764 2.182 1.071 1.00 0.00 ? 13 ASN A HD21 5 ATOM 2432 N N . GLY A 1 14 ? 12.414 -0.524 5.514 1.00 0.00 ? 14 GLY A N 5 ATOM 2433 C CA . GLY A 1 14 ? 11.300 -0.282 6.441 1.00 0.00 ? 14 GLY A CA 5 ATOM 2434 C C . GLY A 1 14 ? 10.160 0.601 5.905 1.00 0.00 ? 14 GLY A C 5 ATOM 2435 O O . GLY A 1 14 ? 9.335 1.063 6.698 1.00 0.00 ? 14 GLY A O 5 ATOM 2436 H H . GLY A 1 14 ? 12.342 -1.330 4.904 1.00 0.00 ? 14 GLY A H 5 ATOM 2437 H HA2 . GLY A 1 14 ? 10.864 -1.250 6.697 1.00 0.00 ? 14 GLY A HA2 5 ATOM 2438 H HA3 . GLY A 1 14 ? 11.681 0.176 7.357 1.00 0.00 ? 14 GLY A HA3 5 ATOM 2439 N N . THR A 1 15 ? 10.072 0.834 4.589 1.00 0.00 ? 15 THR A N 5 ATOM 2440 C CA . THR A 1 15 ? 9.020 1.663 3.964 1.00 0.00 ? 15 THR A CA 5 ATOM 2441 C C . THR A 1 15 ? 7.887 0.742 3.502 1.00 0.00 ? 15 THR A C 5 ATOM 2442 O O . THR A 1 15 ? 8.121 -0.256 2.818 1.00 0.00 ? 15 THR A O 5 ATOM 2443 C CB . THR A 1 15 ? 9.594 2.417 2.750 1.00 0.00 ? 15 THR A CB 5 ATOM 2444 O OG1 . THR A 1 15 ? 10.436 3.451 3.210 1.00 0.00 ? 15 THR A OG1 5 ATOM 2445 C CG2 . THR A 1 15 ? 8.547 3.075 1.850 1.00 0.00 ? 15 THR A CG2 5 ATOM 2446 H H . THR A 1 15 ? 10.813 0.484 3.991 1.00 0.00 ? 15 THR A H 5 ATOM 2447 H HA . THR A 1 15 ? 8.627 2.392 4.674 1.00 0.00 ? 15 THR A HA 5 ATOM 2448 H HB . THR A 1 15 ? 10.175 1.726 2.139 1.00 0.00 ? 15 THR A HB 5 ATOM 2449 H HG1 . THR A 1 15 ? 10.918 3.782 2.432 1.00 0.00 ? 15 THR A HG1 5 ATOM 2450 H HG21 . THR A 1 15 ? 7.967 2.312 1.328 1.00 0.00 ? 15 THR A HG21 5 ATOM 2451 H HG22 . THR A 1 15 ? 7.878 3.697 2.445 1.00 0.00 ? 15 THR A HG22 5 ATOM 2452 H HG23 . THR A 1 15 ? 9.042 3.693 1.100 1.00 0.00 ? 15 THR A HG23 5 ATOM 2453 N N . VAL A 1 16 ? 6.644 1.093 3.849 1.00 0.00 ? 16 VAL A N 5 ATOM 2454 C CA . VAL A 1 16 ? 5.430 0.295 3.582 1.00 0.00 ? 16 VAL A CA 5 ATOM 2455 C C . VAL A 1 16 ? 4.777 0.773 2.278 1.00 0.00 ? 16 VAL A C 5 ATOM 2456 O O . VAL A 1 16 ? 4.785 1.965 1.955 1.00 0.00 ? 16 VAL A O 5 ATOM 2457 C CB . VAL A 1 16 ? 4.440 0.430 4.762 1.00 0.00 ? 16 VAL A CB 5 ATOM 2458 C CG1 . VAL A 1 16 ? 3.027 -0.103 4.484 1.00 0.00 ? 16 VAL A CG1 5 ATOM 2459 C CG2 . VAL A 1 16 ? 4.960 -0.329 5.990 1.00 0.00 ? 16 VAL A CG2 5 ATOM 2460 H H . VAL A 1 16 ? 6.527 1.950 4.372 1.00 0.00 ? 16 VAL A H 5 ATOM 2461 H HA . VAL A 1 16 ? 5.693 -0.755 3.471 1.00 0.00 ? 16 VAL A HA 5 ATOM 2462 H HB . VAL A 1 16 ? 4.347 1.485 5.023 1.00 0.00 ? 16 VAL A HB 5 ATOM 2463 H HG11 . VAL A 1 16 ? 2.425 -0.013 5.388 1.00 0.00 ? 16 VAL A HG11 5 ATOM 2464 H HG12 . VAL A 1 16 ? 2.542 0.484 3.704 1.00 0.00 ? 16 VAL A HG12 5 ATOM 2465 H HG13 . VAL A 1 16 ? 3.069 -1.151 4.181 1.00 0.00 ? 16 VAL A HG13 5 ATOM 2466 H HG21 . VAL A 1 16 ? 4.269 -0.196 6.823 1.00 0.00 ? 16 VAL A HG21 5 ATOM 2467 H HG22 . VAL A 1 16 ? 5.035 -1.392 5.764 1.00 0.00 ? 16 VAL A HG22 5 ATOM 2468 H HG23 . VAL A 1 16 ? 5.939 0.050 6.282 1.00 0.00 ? 16 VAL A HG23 5 ATOM 2469 N N . TYR A 1 17 ? 4.188 -0.169 1.542 1.00 0.00 ? 17 TYR A N 5 ATOM 2470 C CA . TYR A 1 17 ? 3.442 0.051 0.300 1.00 0.00 ? 17 TYR A CA 5 ATOM 2471 C C . TYR A 1 17 ? 2.344 -1.024 0.162 1.00 0.00 ? 17 TYR A C 5 ATOM 2472 O O . TYR A 1 17 ? 2.178 -1.894 1.023 1.00 0.00 ? 17 TYR A O 5 ATOM 2473 C CB . TYR A 1 17 ? 4.431 0.027 -0.883 1.00 0.00 ? 17 TYR A CB 5 ATOM 2474 C CG . TYR A 1 17 ? 5.105 -1.300 -1.201 1.00 0.00 ? 17 TYR A CG 5 ATOM 2475 C CD1 . TYR A 1 17 ? 6.198 -1.744 -0.431 1.00 0.00 ? 17 TYR A CD1 5 ATOM 2476 C CD2 . TYR A 1 17 ? 4.696 -2.045 -2.327 1.00 0.00 ? 17 TYR A CD2 5 ATOM 2477 C CE1 . TYR A 1 17 ? 6.904 -2.903 -0.807 1.00 0.00 ? 17 TYR A CE1 5 ATOM 2478 C CE2 . TYR A 1 17 ? 5.393 -3.210 -2.702 1.00 0.00 ? 17 TYR A CE2 5 ATOM 2479 C CZ . TYR A 1 17 ? 6.518 -3.625 -1.955 1.00 0.00 ? 17 TYR A CZ 5 ATOM 2480 O OH . TYR A 1 17 ? 7.243 -4.706 -2.349 1.00 0.00 ? 17 TYR A OH 5 ATOM 2481 H H . TYR A 1 17 ? 4.202 -1.121 1.895 1.00 0.00 ? 17 TYR A H 5 ATOM 2482 H HA . TYR A 1 17 ? 2.955 1.028 0.328 1.00 0.00 ? 17 TYR A HA 5 ATOM 2483 H HB2 . TYR A 1 17 ? 3.909 0.369 -1.774 1.00 0.00 ? 17 TYR A HB2 5 ATOM 2484 H HB3 . TYR A 1 17 ? 5.211 0.768 -0.695 1.00 0.00 ? 17 TYR A HB3 5 ATOM 2485 H HD1 . TYR A 1 17 ? 6.532 -1.168 0.422 1.00 0.00 ? 17 TYR A HD1 5 ATOM 2486 H HD2 . TYR A 1 17 ? 3.863 -1.706 -2.929 1.00 0.00 ? 17 TYR A HD2 5 ATOM 2487 H HE1 . TYR A 1 17 ? 7.773 -3.221 -0.252 1.00 0.00 ? 17 TYR A HE1 5 ATOM 2488 H HE2 . TYR A 1 17 ? 5.081 -3.771 -3.570 1.00 0.00 ? 17 TYR A HE2 5 ATOM 2489 H HH . TYR A 1 17 ? 6.989 -5.006 -3.228 1.00 0.00 ? 17 TYR A HH 5 ATOM 2490 N N . TYR A 1 18 ? 1.571 -0.961 -0.922 1.00 0.00 ? 18 TYR A N 5 ATOM 2491 C CA . TYR A 1 18 ? 0.476 -1.882 -1.236 1.00 0.00 ? 18 TYR A CA 5 ATOM 2492 C C . TYR A 1 18 ? 0.816 -2.716 -2.475 1.00 0.00 ? 18 TYR A C 5 ATOM 2493 O O . TYR A 1 18 ? 1.376 -2.196 -3.445 1.00 0.00 ? 18 TYR A O 5 ATOM 2494 C CB . TYR A 1 18 ? -0.824 -1.088 -1.421 1.00 0.00 ? 18 TYR A CB 5 ATOM 2495 C CG . TYR A 1 18 ? -1.217 -0.271 -0.201 1.00 0.00 ? 18 TYR A CG 5 ATOM 2496 C CD1 . TYR A 1 18 ? -0.747 1.051 -0.061 1.00 0.00 ? 18 TYR A CD1 5 ATOM 2497 C CD2 . TYR A 1 18 ? -2.025 -0.837 0.807 1.00 0.00 ? 18 TYR A CD2 5 ATOM 2498 C CE1 . TYR A 1 18 ? -1.063 1.801 1.088 1.00 0.00 ? 18 TYR A CE1 5 ATOM 2499 C CE2 . TYR A 1 18 ? -2.340 -0.091 1.958 1.00 0.00 ? 18 TYR A CE2 5 ATOM 2500 C CZ . TYR A 1 18 ? -1.859 1.227 2.104 1.00 0.00 ? 18 TYR A CZ 5 ATOM 2501 O OH . TYR A 1 18 ? -2.164 1.938 3.223 1.00 0.00 ? 18 TYR A OH 5 ATOM 2502 H H . TYR A 1 18 ? 1.752 -0.223 -1.594 1.00 0.00 ? 18 TYR A H 5 ATOM 2503 H HA . TYR A 1 18 ? 0.324 -2.570 -0.404 1.00 0.00 ? 18 TYR A HA 5 ATOM 2504 H HB2 . TYR A 1 18 ? -0.716 -0.419 -2.278 1.00 0.00 ? 18 TYR A HB2 5 ATOM 2505 H HB3 . TYR A 1 18 ? -1.628 -1.796 -1.642 1.00 0.00 ? 18 TYR A HB3 5 ATOM 2506 H HD1 . TYR A 1 18 ? -0.134 1.489 -0.839 1.00 0.00 ? 18 TYR A HD1 5 ATOM 2507 H HD2 . TYR A 1 18 ? -2.400 -1.846 0.706 1.00 0.00 ? 18 TYR A HD2 5 ATOM 2508 H HE1 . TYR A 1 18 ? -0.693 2.811 1.192 1.00 0.00 ? 18 TYR A HE1 5 ATOM 2509 H HE2 . TYR A 1 18 ? -2.937 -0.532 2.743 1.00 0.00 ? 18 TYR A HE2 5 ATOM 2510 H HH . TYR A 1 18 ? -1.771 2.818 3.204 1.00 0.00 ? 18 TYR A HH 5 ATOM 2511 N N . PHE A 1 19 ? 0.473 -4.004 -2.456 1.00 0.00 ? 19 PHE A N 5 ATOM 2512 C CA . PHE A 1 19 ? 0.844 -4.967 -3.492 1.00 0.00 ? 19 PHE A CA 5 ATOM 2513 C C . PHE A 1 19 ? -0.255 -5.998 -3.794 1.00 0.00 ? 19 PHE A C 5 ATOM 2514 O O . PHE A 1 19 ? -0.812 -6.594 -2.871 1.00 0.00 ? 19 PHE A O 5 ATOM 2515 C CB . PHE A 1 19 ? 2.171 -5.629 -3.107 1.00 0.00 ? 19 PHE A CB 5 ATOM 2516 C CG . PHE A 1 19 ? 2.608 -6.694 -4.088 1.00 0.00 ? 19 PHE A CG 5 ATOM 2517 C CD1 . PHE A 1 19 ? 3.111 -6.274 -5.328 1.00 0.00 ? 19 PHE A CD1 5 ATOM 2518 C CD2 . PHE A 1 19 ? 2.480 -8.069 -3.808 1.00 0.00 ? 19 PHE A CD2 5 ATOM 2519 C CE1 . PHE A 1 19 ? 3.478 -7.211 -6.298 1.00 0.00 ? 19 PHE A CE1 5 ATOM 2520 C CE2 . PHE A 1 19 ? 2.876 -9.013 -4.774 1.00 0.00 ? 19 PHE A CE2 5 ATOM 2521 C CZ . PHE A 1 19 ? 3.370 -8.587 -6.021 1.00 0.00 ? 19 PHE A CZ 5 ATOM 2522 H H . PHE A 1 19 ? 0.024 -4.373 -1.623 1.00 0.00 ? 19 PHE A H 5 ATOM 2523 H HA . PHE A 1 19 ? 1.025 -4.436 -4.428 1.00 0.00 ? 19 PHE A HA 5 ATOM 2524 H HB2 . PHE A 1 19 ? 2.946 -4.861 -3.054 1.00 0.00 ? 19 PHE A HB2 5 ATOM 2525 H HB3 . PHE A 1 19 ? 2.070 -6.081 -2.118 1.00 0.00 ? 19 PHE A HB3 5 ATOM 2526 H HD1 . PHE A 1 19 ? 3.187 -5.221 -5.548 1.00 0.00 ? 19 PHE A HD1 5 ATOM 2527 H HD2 . PHE A 1 19 ? 2.069 -8.407 -2.866 1.00 0.00 ? 19 PHE A HD2 5 ATOM 2528 H HE1 . PHE A 1 19 ? 3.825 -6.855 -7.257 1.00 0.00 ? 19 PHE A HE1 5 ATOM 2529 H HE2 . PHE A 1 19 ? 2.787 -10.070 -4.562 1.00 0.00 ? 19 PHE A HE2 5 ATOM 2530 H HZ . PHE A 1 19 ? 3.656 -9.316 -6.768 1.00 0.00 ? 19 PHE A HZ 5 ATOM 2531 N N . ASN A 1 20 ? -0.571 -6.224 -5.070 1.00 0.00 ? 20 ASN A N 5 ATOM 2532 C CA . ASN A 1 20 ? -1.537 -7.234 -5.493 1.00 0.00 ? 20 ASN A CA 5 ATOM 2533 C C . ASN A 1 20 ? -0.824 -8.551 -5.838 1.00 0.00 ? 20 ASN A C 5 ATOM 2534 O O . ASN A 1 20 ? -0.045 -8.615 -6.791 1.00 0.00 ? 20 ASN A O 5 ATOM 2535 C CB . ASN A 1 20 ? -2.367 -6.691 -6.662 1.00 0.00 ? 20 ASN A CB 5 ATOM 2536 C CG . ASN A 1 20 ? -3.588 -7.561 -6.898 1.00 0.00 ? 20 ASN A CG 5 ATOM 2537 O OD1 . ASN A 1 20 ? -3.486 -8.747 -7.174 1.00 0.00 ? 20 ASN A OD1 5 ATOM 2538 N ND2 . ASN A 1 20 ? -4.775 -7.012 -6.799 1.00 0.00 ? 20 ASN A ND2 5 ATOM 2539 H H . ASN A 1 20 ? -0.068 -5.715 -5.790 1.00 0.00 ? 20 ASN A H 5 ATOM 2540 H HA . ASN A 1 20 ? -2.220 -7.429 -4.672 1.00 0.00 ? 20 ASN A HA 5 ATOM 2541 H HB2 . ASN A 1 20 ? -2.689 -5.676 -6.433 1.00 0.00 ? 20 ASN A HB2 5 ATOM 2542 H HB3 . ASN A 1 20 ? -1.762 -6.670 -7.568 1.00 0.00 ? 20 ASN A HB3 5 ATOM 2543 H HD21 . ASN A 1 20 ? -5.593 -7.597 -6.904 1.00 0.00 ? 20 ASN A HD21 5 ATOM 2544 H HD22 . ASN A 1 20 ? -4.865 -6.041 -6.520 1.00 0.00 ? 20 ASN A HD22 5 ATOM 2545 N N . HIS A 1 21 ? -1.106 -9.619 -5.087 1.00 0.00 ? 21 HIS A N 5 ATOM 2546 C CA . HIS A 1 21 ? -0.429 -10.914 -5.253 1.00 0.00 ? 21 HIS A CA 5 ATOM 2547 C C . HIS A 1 21 ? -0.897 -11.695 -6.497 1.00 0.00 ? 21 HIS A C 5 ATOM 2548 O O . HIS A 1 21 ? -0.169 -12.560 -6.992 1.00 0.00 ? 21 HIS A O 5 ATOM 2549 C CB . HIS A 1 21 ? -0.574 -11.730 -3.954 1.00 0.00 ? 21 HIS A CB 5 ATOM 2550 C CG . HIS A 1 21 ? -1.832 -12.564 -3.845 1.00 0.00 ? 21 HIS A CG 5 ATOM 2551 N ND1 . HIS A 1 21 ? -1.987 -13.864 -4.343 1.00 0.00 ? 21 HIS A ND1 5 ATOM 2552 C CD2 . HIS A 1 21 ? -2.964 -12.224 -3.162 1.00 0.00 ? 21 HIS A CD2 5 ATOM 2553 C CE1 . HIS A 1 21 ? -3.212 -14.265 -3.962 1.00 0.00 ? 21 HIS A CE1 5 ATOM 2554 N NE2 . HIS A 1 21 ? -3.822 -13.298 -3.256 1.00 0.00 ? 21 HIS A NE2 5 ATOM 2555 H H . HIS A 1 21 ? -1.804 -9.522 -4.356 1.00 0.00 ? 21 HIS A H 5 ATOM 2556 H HA . HIS A 1 21 ? 0.634 -10.719 -5.398 1.00 0.00 ? 21 HIS A HA 5 ATOM 2557 H HB2 . HIS A 1 21 ? 0.281 -12.408 -3.897 1.00 0.00 ? 21 HIS A HB2 5 ATOM 2558 H HB3 . HIS A 1 21 ? -0.516 -11.057 -3.094 1.00 0.00 ? 21 HIS A HB3 5 ATOM 2559 H HD2 . HIS A 1 21 ? -3.145 -11.294 -2.641 1.00 0.00 ? 21 HIS A HD2 5 ATOM 2560 H HE1 . HIS A 1 21 ? -3.647 -15.234 -4.187 1.00 0.00 ? 21 HIS A HE1 5 ATOM 2561 H HE2 . HIS A 1 21 ? -4.749 -13.372 -2.845 1.00 0.00 ? 21 HIS A HE2 5 ATOM 2562 N N . ILE A 1 22 ? -2.086 -11.380 -7.024 1.00 0.00 ? 22 ILE A N 5 ATOM 2563 C CA . ILE A 1 22 ? -2.713 -12.039 -8.178 1.00 0.00 ? 22 ILE A CA 5 ATOM 2564 C C . ILE A 1 22 ? -2.240 -11.412 -9.501 1.00 0.00 ? 22 ILE A C 5 ATOM 2565 O O . ILE A 1 22 ? -1.970 -12.124 -10.471 1.00 0.00 ? 22 ILE A O 5 ATOM 2566 C CB . ILE A 1 22 ? -4.257 -11.945 -8.046 1.00 0.00 ? 22 ILE A CB 5 ATOM 2567 C CG1 . ILE A 1 22 ? -4.726 -12.410 -6.642 1.00 0.00 ? 22 ILE A CG1 5 ATOM 2568 C CG2 . ILE A 1 22 ? -4.933 -12.766 -9.157 1.00 0.00 ? 22 ILE A CG2 5 ATOM 2569 C CD1 . ILE A 1 22 ? -6.244 -12.451 -6.427 1.00 0.00 ? 22 ILE A CD1 5 ATOM 2570 H H . ILE A 1 22 ? -2.612 -10.632 -6.589 1.00 0.00 ? 22 ILE A H 5 ATOM 2571 H HA . ILE A 1 22 ? -2.431 -13.093 -8.182 1.00 0.00 ? 22 ILE A HA 5 ATOM 2572 H HB . ILE A 1 22 ? -4.553 -10.900 -8.178 1.00 0.00 ? 22 ILE A HB 5 ATOM 2573 H HG12 . ILE A 1 22 ? -4.330 -13.408 -6.448 1.00 0.00 ? 22 ILE A HG12 5 ATOM 2574 H HG13 . ILE A 1 22 ? -4.327 -11.726 -5.892 1.00 0.00 ? 22 ILE A HG13 5 ATOM 2575 H HG21 . ILE A 1 22 ? -4.681 -13.820 -9.043 1.00 0.00 ? 22 ILE A HG21 5 ATOM 2576 H HG22 . ILE A 1 22 ? -6.013 -12.641 -9.114 1.00 0.00 ? 22 ILE A HG22 5 ATOM 2577 H HG23 . ILE A 1 22 ? -4.607 -12.420 -10.137 1.00 0.00 ? 22 ILE A HG23 5 ATOM 2578 H HD11 . ILE A 1 22 ? -6.443 -12.623 -5.368 1.00 0.00 ? 22 ILE A HD11 5 ATOM 2579 H HD12 . ILE A 1 22 ? -6.689 -11.500 -6.723 1.00 0.00 ? 22 ILE A HD12 5 ATOM 2580 H HD13 . ILE A 1 22 ? -6.690 -13.262 -7.001 1.00 0.00 ? 22 ILE A HD13 5 ATOM 2581 N N . THR A 1 23 ? -2.110 -10.083 -9.529 1.00 0.00 ? 23 THR A N 5 ATOM 2582 C CA . THR A 1 23 ? -1.811 -9.270 -10.728 1.00 0.00 ? 23 THR A CA 5 ATOM 2583 C C . THR A 1 23 ? -0.404 -8.671 -10.799 1.00 0.00 ? 23 THR A C 5 ATOM 2584 O O . THR A 1 23 ? -0.015 -8.130 -11.838 1.00 0.00 ? 23 THR A O 5 ATOM 2585 C CB . THR A 1 23 ? -2.877 -8.183 -10.940 1.00 0.00 ? 23 THR A CB 5 ATOM 2586 O OG1 . THR A 1 23 ? -2.645 -7.116 -10.052 1.00 0.00 ? 23 THR A OG1 5 ATOM 2587 C CG2 . THR A 1 23 ? -4.316 -8.637 -10.702 1.00 0.00 ? 23 THR A CG2 5 ATOM 2588 H H . THR A 1 23 ? -2.382 -9.580 -8.691 1.00 0.00 ? 23 THR A H 5 ATOM 2589 H HA . THR A 1 23 ? -1.886 -9.924 -11.596 1.00 0.00 ? 23 THR A HA 5 ATOM 2590 H HB . THR A 1 23 ? -2.796 -7.810 -11.962 1.00 0.00 ? 23 THR A HB 5 ATOM 2591 H HG1 . THR A 1 23 ? -3.517 -6.779 -9.819 1.00 0.00 ? 23 THR A HG1 5 ATOM 2592 H HG21 . THR A 1 23 ? -4.480 -8.855 -9.647 1.00 0.00 ? 23 THR A HG21 5 ATOM 2593 H HG22 . THR A 1 23 ? -4.999 -7.847 -11.013 1.00 0.00 ? 23 THR A HG22 5 ATOM 2594 H HG23 . THR A 1 23 ? -4.517 -9.530 -11.292 1.00 0.00 ? 23 THR A HG23 5 ATOM 2595 N N . ASN A 1 24 ? 0.365 -8.767 -9.710 1.00 0.00 ? 24 ASN A N 5 ATOM 2596 C CA . ASN A 1 24 ? 1.675 -8.135 -9.506 1.00 0.00 ? 24 ASN A CA 5 ATOM 2597 C C . ASN A 1 24 ? 1.671 -6.587 -9.563 1.00 0.00 ? 24 ASN A C 5 ATOM 2598 O O . ASN A 1 24 ? 2.739 -5.971 -9.643 1.00 0.00 ? 24 ASN A O 5 ATOM 2599 C CB . ASN A 1 24 ? 2.751 -8.801 -10.390 1.00 0.00 ? 24 ASN A CB 5 ATOM 2600 C CG . ASN A 1 24 ? 2.861 -10.298 -10.157 1.00 0.00 ? 24 ASN A CG 5 ATOM 2601 O OD1 . ASN A 1 24 ? 3.201 -10.763 -9.077 1.00 0.00 ? 24 ASN A OD1 5 ATOM 2602 N ND2 . ASN A 1 24 ? 2.621 -11.105 -11.168 1.00 0.00 ? 24 ASN A ND2 5 ATOM 2603 H H . ASN A 1 24 ? -0.044 -9.211 -8.898 1.00 0.00 ? 24 ASN A H 5 ATOM 2604 H HA . ASN A 1 24 ? 1.949 -8.358 -8.474 1.00 0.00 ? 24 ASN A HA 5 ATOM 2605 H HB2 . ASN A 1 24 ? 2.535 -8.603 -11.442 1.00 0.00 ? 24 ASN A HB2 5 ATOM 2606 H HB3 . ASN A 1 24 ? 3.726 -8.367 -10.155 1.00 0.00 ? 24 ASN A HB3 5 ATOM 2607 H HD21 . ASN A 1 24 ? 2.353 -10.725 -12.065 1.00 0.00 ? 24 ASN A HD21 5 ATOM 2608 H HD22 . ASN A 1 24 ? 2.707 -12.102 -11.016 1.00 0.00 ? 24 ASN A HD22 5 ATOM 2609 N N . ALA A 1 25 ? 0.498 -5.940 -9.509 1.00 0.00 ? 25 ALA A N 5 ATOM 2610 C CA . ALA A 1 25 ? 0.390 -4.482 -9.381 1.00 0.00 ? 25 ALA A CA 5 ATOM 2611 C C . ALA A 1 25 ? 0.925 -3.975 -8.023 1.00 0.00 ? 25 ALA A C 5 ATOM 2612 O O . ALA A 1 25 ? 0.861 -4.685 -7.016 1.00 0.00 ? 25 ALA A O 5 ATOM 2613 C CB . ALA A 1 25 ? -1.072 -4.074 -9.601 1.00 0.00 ? 25 ALA A CB 5 ATOM 2614 H H . ALA A 1 25 ? -0.356 -6.482 -9.483 1.00 0.00 ? 25 ALA A H 5 ATOM 2615 H HA . ALA A 1 25 ? 0.988 -4.022 -10.169 1.00 0.00 ? 25 ALA A HA 5 ATOM 2616 H HB1 . ALA A 1 25 ? -1.159 -2.987 -9.574 1.00 0.00 ? 25 ALA A HB1 5 ATOM 2617 H HB2 . ALA A 1 25 ? -1.415 -4.430 -10.573 1.00 0.00 ? 25 ALA A HB2 5 ATOM 2618 H HB3 . ALA A 1 25 ? -1.701 -4.500 -8.819 1.00 0.00 ? 25 ALA A HB3 5 ATOM 2619 N N . SER A 1 26 ? 1.421 -2.735 -7.977 1.00 0.00 ? 26 SER A N 5 ATOM 2620 C CA . SER A 1 26 ? 1.956 -2.093 -6.762 1.00 0.00 ? 26 SER A CA 5 ATOM 2621 C C . SER A 1 26 ? 1.630 -0.592 -6.698 1.00 0.00 ? 26 SER A C 5 ATOM 2622 O O . SER A 1 26 ? 1.549 0.079 -7.733 1.00 0.00 ? 26 SER A O 5 ATOM 2623 C CB . SER A 1 26 ? 3.471 -2.315 -6.637 1.00 0.00 ? 26 SER A CB 5 ATOM 2624 O OG . SER A 1 26 ? 4.183 -1.756 -7.730 1.00 0.00 ? 26 SER A OG 5 ATOM 2625 H H . SER A 1 26 ? 1.451 -2.196 -8.831 1.00 0.00 ? 26 SER A H 5 ATOM 2626 H HA . SER A 1 26 ? 1.502 -2.576 -5.899 1.00 0.00 ? 26 SER A HA 5 ATOM 2627 H HB2 . SER A 1 26 ? 3.822 -1.863 -5.707 1.00 0.00 ? 26 SER A HB2 5 ATOM 2628 H HB3 . SER A 1 26 ? 3.672 -3.384 -6.591 1.00 0.00 ? 26 SER A HB3 5 ATOM 2629 H HG . SER A 1 26 ? 5.121 -1.969 -7.617 1.00 0.00 ? 26 SER A HG 5 ATOM 2630 N N . GLN A 1 27 ? 1.455 -0.053 -5.486 1.00 0.00 ? 27 GLN A N 5 ATOM 2631 C CA . GLN A 1 27 ? 1.196 1.372 -5.220 1.00 0.00 ? 27 GLN A CA 5 ATOM 2632 C C . GLN A 1 27 ? 1.734 1.855 -3.865 1.00 0.00 ? 27 GLN A C 5 ATOM 2633 O O . GLN A 1 27 ? 1.698 1.124 -2.874 1.00 0.00 ? 27 GLN A O 5 ATOM 2634 C CB . GLN A 1 27 ? -0.315 1.677 -5.220 1.00 0.00 ? 27 GLN A CB 5 ATOM 2635 C CG . GLN A 1 27 ? -0.989 1.748 -6.594 1.00 0.00 ? 27 GLN A CG 5 ATOM 2636 C CD . GLN A 1 27 ? -2.482 2.100 -6.546 1.00 0.00 ? 27 GLN A CD 5 ATOM 2637 O OE1 . GLN A 1 27 ? -3.193 1.985 -7.537 1.00 0.00 ? 27 GLN A OE1 5 ATOM 2638 N NE2 . GLN A 1 27 ? -3.015 2.615 -5.456 1.00 0.00 ? 27 GLN A NE2 5 ATOM 2639 H H . GLN A 1 27 ? 1.515 -0.669 -4.680 1.00 0.00 ? 27 GLN A H 5 ATOM 2640 H HA . GLN A 1 27 ? 1.673 1.974 -5.997 1.00 0.00 ? 27 GLN A HA 5 ATOM 2641 H HB2 . GLN A 1 27 ? -0.831 0.946 -4.594 1.00 0.00 ? 27 GLN A HB2 5 ATOM 2642 H HB3 . GLN A 1 27 ? -0.436 2.665 -4.779 1.00 0.00 ? 27 GLN A HB3 5 ATOM 2643 H HG2 . GLN A 1 27 ? -0.478 2.522 -7.167 1.00 0.00 ? 27 GLN A HG2 5 ATOM 2644 H HG3 . GLN A 1 27 ? -0.885 0.789 -7.097 1.00 0.00 ? 27 GLN A HG3 5 ATOM 2645 H HE21 . GLN A 1 27 ? -2.465 2.712 -4.603 1.00 0.00 ? 27 GLN A HE21 5 ATOM 2646 H HE22 . GLN A 1 27 ? -3.985 2.893 -5.479 1.00 0.00 ? 27 GLN A HE22 5 ATOM 2647 N N . PHE A 1 28 ? 2.169 3.118 -3.806 1.00 0.00 ? 28 PHE A N 5 ATOM 2648 C CA . PHE A 1 28 ? 2.502 3.810 -2.552 1.00 0.00 ? 28 PHE A CA 5 ATOM 2649 C C . PHE A 1 28 ? 1.300 4.399 -1.789 1.00 0.00 ? 28 PHE A C 5 ATOM 2650 O O . PHE A 1 28 ? 1.336 4.552 -0.567 1.00 0.00 ? 28 PHE A O 5 ATOM 2651 C CB . PHE A 1 28 ? 3.632 4.827 -2.767 1.00 0.00 ? 28 PHE A CB 5 ATOM 2652 C CG . PHE A 1 28 ? 5.010 4.205 -2.909 1.00 0.00 ? 28 PHE A CG 5 ATOM 2653 C CD1 . PHE A 1 28 ? 5.745 3.844 -1.763 1.00 0.00 ? 28 PHE A CD1 5 ATOM 2654 C CD2 . PHE A 1 28 ? 5.565 3.999 -4.187 1.00 0.00 ? 28 PHE A CD2 5 ATOM 2655 C CE1 . PHE A 1 28 ? 7.032 3.292 -1.895 1.00 0.00 ? 28 PHE A CE1 5 ATOM 2656 C CE2 . PHE A 1 28 ? 6.850 3.441 -4.318 1.00 0.00 ? 28 PHE A CE2 5 ATOM 2657 C CZ . PHE A 1 28 ? 7.586 3.091 -3.173 1.00 0.00 ? 28 PHE A CZ 5 ATOM 2658 H H . PHE A 1 28 ? 2.209 3.652 -4.662 1.00 0.00 ? 28 PHE A H 5 ATOM 2659 H HA . PHE A 1 28 ? 2.909 3.063 -1.869 1.00 0.00 ? 28 PHE A HA 5 ATOM 2660 H HB2 . PHE A 1 28 ? 3.407 5.436 -3.646 1.00 0.00 ? 28 PHE A HB2 5 ATOM 2661 H HB3 . PHE A 1 28 ? 3.665 5.493 -1.900 1.00 0.00 ? 28 PHE A HB3 5 ATOM 2662 H HD1 . PHE A 1 28 ? 5.325 3.996 -0.778 1.00 0.00 ? 28 PHE A HD1 5 ATOM 2663 H HD2 . PHE A 1 28 ? 5.007 4.272 -5.072 1.00 0.00 ? 28 PHE A HD2 5 ATOM 2664 H HE1 . PHE A 1 28 ? 7.597 3.022 -1.014 1.00 0.00 ? 28 PHE A HE1 5 ATOM 2665 H HE2 . PHE A 1 28 ? 7.275 3.285 -5.302 1.00 0.00 ? 28 PHE A HE2 5 ATOM 2666 H HZ . PHE A 1 28 ? 8.577 2.667 -3.274 1.00 0.00 ? 28 PHE A HZ 5 ATOM 2667 N N . GLU A 1 29 ? 0.219 4.699 -2.519 1.00 0.00 ? 29 GLU A N 5 ATOM 2668 C CA . GLU A 1 29 ? -1.104 5.085 -1.999 1.00 0.00 ? 29 GLU A CA 5 ATOM 2669 C C . GLU A 1 29 ? -2.059 3.878 -1.990 1.00 0.00 ? 29 GLU A C 5 ATOM 2670 O O . GLU A 1 29 ? -1.895 2.957 -2.797 1.00 0.00 ? 29 GLU A O 5 ATOM 2671 C CB . GLU A 1 29 ? -1.636 6.270 -2.834 1.00 0.00 ? 29 GLU A CB 5 ATOM 2672 C CG . GLU A 1 29 ? -3.125 6.655 -2.721 1.00 0.00 ? 29 GLU A CG 5 ATOM 2673 C CD . GLU A 1 29 ? -3.628 7.046 -1.313 1.00 0.00 ? 29 GLU A CD 5 ATOM 2674 O OE1 . GLU A 1 29 ? -2.984 6.709 -0.290 1.00 0.00 ? 29 GLU A OE1 5 ATOM 2675 O OE2 . GLU A 1 29 ? -4.705 7.683 -1.222 1.00 0.00 ? 29 GLU A OE2 5 ATOM 2676 H H . GLU A 1 29 ? 0.267 4.493 -3.509 1.00 0.00 ? 29 GLU A H 5 ATOM 2677 H HA . GLU A 1 29 ? -0.997 5.420 -0.968 1.00 0.00 ? 29 GLU A HA 5 ATOM 2678 H HB2 . GLU A 1 29 ? -1.036 7.149 -2.596 1.00 0.00 ? 29 GLU A HB2 5 ATOM 2679 H HB3 . GLU A 1 29 ? -1.459 6.038 -3.887 1.00 0.00 ? 29 GLU A HB3 5 ATOM 2680 H HG2 . GLU A 1 29 ? -3.296 7.496 -3.399 1.00 0.00 ? 29 GLU A HG2 5 ATOM 2681 H HG3 . GLU A 1 29 ? -3.728 5.825 -3.093 1.00 0.00 ? 29 GLU A HG3 5 ATOM 2682 N N . ARG A 1 30 ? -3.060 3.852 -1.097 1.00 0.00 ? 30 ARG A N 5 ATOM 2683 C CA . ARG A 1 30 ? -3.935 2.676 -0.949 1.00 0.00 ? 30 ARG A CA 5 ATOM 2684 C C . ARG A 1 30 ? -4.695 2.329 -2.251 1.00 0.00 ? 30 ARG A C 5 ATOM 2685 O O . ARG A 1 30 ? -5.100 3.232 -2.993 1.00 0.00 ? 30 ARG A O 5 ATOM 2686 C CB . ARG A 1 30 ? -4.874 2.791 0.265 1.00 0.00 ? 30 ARG A CB 5 ATOM 2687 C CG . ARG A 1 30 ? -6.007 3.829 0.135 1.00 0.00 ? 30 ARG A CG 5 ATOM 2688 C CD . ARG A 1 30 ? -7.319 3.328 0.754 1.00 0.00 ? 30 ARG A CD 5 ATOM 2689 N NE . ARG A 1 30 ? -7.881 2.172 0.016 1.00 0.00 ? 30 ARG A NE 5 ATOM 2690 C CZ . ARG A 1 30 ? -8.715 1.264 0.484 1.00 0.00 ? 30 ARG A CZ 5 ATOM 2691 N NH1 . ARG A 1 30 ? -9.193 1.289 1.695 1.00 0.00 ? 30 ARG A NH1 5 ATOM 2692 N NH2 . ARG A 1 30 ? -9.099 0.289 -0.280 1.00 0.00 ? 30 ARG A NH2 5 ATOM 2693 H H . ARG A 1 30 ? -3.174 4.649 -0.476 1.00 0.00 ? 30 ARG A H 5 ATOM 2694 H HA . ARG A 1 30 ? -3.265 1.846 -0.738 1.00 0.00 ? 30 ARG A HA 5 ATOM 2695 H HB2 . ARG A 1 30 ? -5.306 1.806 0.438 1.00 0.00 ? 30 ARG A HB2 5 ATOM 2696 H HB3 . ARG A 1 30 ? -4.284 3.027 1.152 1.00 0.00 ? 30 ARG A HB3 5 ATOM 2697 H HG2 . ARG A 1 30 ? -5.695 4.736 0.653 1.00 0.00 ? 30 ARG A HG2 5 ATOM 2698 H HG3 . ARG A 1 30 ? -6.203 4.079 -0.907 1.00 0.00 ? 30 ARG A HG3 5 ATOM 2699 H HD2 . ARG A 1 30 ? -7.126 3.056 1.794 1.00 0.00 ? 30 ARG A HD2 5 ATOM 2700 H HD3 . ARG A 1 30 ? -8.045 4.144 0.740 1.00 0.00 ? 30 ARG A HD3 5 ATOM 2701 H HE . ARG A 1 30 ? -7.594 2.028 -0.948 1.00 0.00 ? 30 ARG A HE 5 ATOM 2702 H HH11 . ARG A 1 30 ? -8.957 2.054 2.304 1.00 0.00 ? 30 ARG A HH11 5 ATOM 2703 H HH12 . ARG A 1 30 ? -9.852 0.582 1.979 1.00 0.00 ? 30 ARG A HH12 5 ATOM 2704 H HH21 . ARG A 1 30 ? -8.772 0.276 -1.240 1.00 0.00 ? 30 ARG A HH21 5 ATOM 2705 H HH22 . ARG A 1 30 ? -9.718 -0.421 0.088 1.00 0.00 ? 30 ARG A HH22 5 ATOM 2706 N N . PRO A 1 31 ? -4.909 1.035 -2.542 1.00 0.00 ? 31 PRO A N 5 ATOM 2707 C CA . PRO A 1 31 ? -5.600 0.569 -3.745 1.00 0.00 ? 31 PRO A CA 5 ATOM 2708 C C . PRO A 1 31 ? -7.113 0.823 -3.719 1.00 0.00 ? 31 PRO A C 5 ATOM 2709 O O . PRO A 1 31 ? -7.719 0.939 -2.651 1.00 0.00 ? 31 PRO A O 5 ATOM 2710 C CB . PRO A 1 31 ? -5.294 -0.925 -3.818 1.00 0.00 ? 31 PRO A CB 5 ATOM 2711 C CG . PRO A 1 31 ? -5.082 -1.324 -2.359 1.00 0.00 ? 31 PRO A CG 5 ATOM 2712 C CD . PRO A 1 31 ? -4.417 -0.093 -1.769 1.00 0.00 ? 31 PRO A CD 5 ATOM 2713 H HA . PRO A 1 31 ? -5.181 1.058 -4.625 1.00 0.00 ? 31 PRO A HA 5 ATOM 2714 H HB2 . PRO A 1 31 ? -6.113 -1.484 -4.265 1.00 0.00 ? 31 PRO A HB2 5 ATOM 2715 H HB3 . PRO A 1 31 ? -4.368 -1.071 -4.375 1.00 0.00 ? 31 PRO A HB3 5 ATOM 2716 H HG2 . PRO A 1 31 ? -6.043 -1.471 -1.871 1.00 0.00 ? 31 PRO A HG2 5 ATOM 2717 H HG3 . PRO A 1 31 ? -4.450 -2.204 -2.260 1.00 0.00 ? 31 PRO A HG3 5 ATOM 2718 H HD2 . PRO A 1 31 ? -4.669 0.003 -0.712 1.00 0.00 ? 31 PRO A HD2 5 ATOM 2719 H HD3 . PRO A 1 31 ? -3.340 -0.165 -1.906 1.00 0.00 ? 31 PRO A HD3 5 ATOM 2720 N N . SER A 1 32 ? -7.732 0.844 -4.902 1.00 0.00 ? 32 SER A N 5 ATOM 2721 C CA . SER A 1 32 ? -9.180 1.058 -5.098 1.00 0.00 ? 32 SER A CA 5 ATOM 2722 C C . SER A 1 32 ? -9.849 0.096 -6.102 1.00 0.00 ? 32 SER A C 5 ATOM 2723 O O . SER A 1 32 ? -11.077 0.105 -6.229 1.00 0.00 ? 32 SER A O 5 ATOM 2724 C CB . SER A 1 32 ? -9.427 2.518 -5.503 1.00 0.00 ? 32 SER A CB 5 ATOM 2725 O OG . SER A 1 32 ? -8.781 2.818 -6.733 1.00 0.00 ? 32 SER A OG 5 ATOM 2726 H H . SER A 1 32 ? -7.155 0.817 -5.730 1.00 0.00 ? 32 SER A H 5 ATOM 2727 H HA . SER A 1 32 ? -9.690 0.898 -4.148 1.00 0.00 ? 32 SER A HA 5 ATOM 2728 H HB2 . SER A 1 32 ? -10.500 2.692 -5.600 1.00 0.00 ? 32 SER A HB2 5 ATOM 2729 H HB3 . SER A 1 32 ? -9.040 3.174 -4.721 1.00 0.00 ? 32 SER A HB3 5 ATOM 2730 H HG . SER A 1 32 ? -8.948 3.751 -6.936 1.00 0.00 ? 32 SER A HG 5 ATOM 2731 N N . GLY A 1 33 ? -9.074 -0.758 -6.790 1.00 0.00 ? 33 GLY A N 5 ATOM 2732 C CA . GLY A 1 33 ? -9.561 -1.782 -7.730 1.00 0.00 ? 33 GLY A CA 5 ATOM 2733 C C . GLY A 1 33 ? -8.441 -2.424 -8.548 1.00 0.00 ? 33 GLY A C 5 ATOM 2734 O O . GLY A 1 33 ? -7.618 -3.153 -7.953 1.00 0.00 ? 33 GLY A O 5 ATOM 2735 O OXT . GLY A 1 33 ? -8.395 -2.187 -9.775 1.00 0.00 ? 33 GLY A OXT 5 ATOM 2736 H H . GLY A 1 33 ? -8.078 -0.725 -6.624 1.00 0.00 ? 33 GLY A H 5 ATOM 2737 H HA2 . GLY A 1 33 ? -10.067 -2.573 -7.178 1.00 0.00 ? 33 GLY A HA2 5 ATOM 2738 H HA3 . GLY A 1 33 ? -10.278 -1.337 -8.420 1.00 0.00 ? 33 GLY A HA3 5 HETATM 2739 C C1 . GAL B 2 . ? 12.802 2.070 0.268 1.00 0.00 ? 101 GAL A C1 5 HETATM 2740 C C2 . GAL B 2 . ? 12.560 3.557 -0.073 1.00 0.00 ? 101 GAL A C2 5 HETATM 2741 C C3 . GAL B 2 . ? 11.535 3.646 -1.217 1.00 0.00 ? 101 GAL A C3 5 HETATM 2742 C C4 . GAL B 2 . ? 12.002 2.841 -2.445 1.00 0.00 ? 101 GAL A C4 5 HETATM 2743 C C5 . GAL B 2 . ? 12.324 1.383 -2.054 1.00 0.00 ? 101 GAL A C5 5 HETATM 2744 C C6 . GAL B 2 . ? 12.854 0.508 -3.203 1.00 0.00 ? 101 GAL A C6 5 HETATM 2745 O O2 . GAL B 2 . ? 12.047 4.261 1.092 1.00 0.00 ? 101 GAL A O2 5 HETATM 2746 O O3 . GAL B 2 . ? 11.348 5.031 -1.609 1.00 0.00 ? 101 GAL A O3 5 HETATM 2747 O O4 . GAL B 2 . ? 13.184 3.481 -2.989 1.00 0.00 ? 101 GAL A O4 5 HETATM 2748 O O5 . GAL B 2 . ? 13.283 1.359 -0.919 1.00 0.00 ? 101 GAL A O5 5 HETATM 2749 O O6 . GAL B 2 . ? 14.150 0.979 -3.621 1.00 0.00 ? 101 GAL A O6 5 HETATM 2750 H H1 . GAL B 2 . ? 11.869 1.613 0.595 1.00 0.00 ? 101 GAL A H1 5 HETATM 2751 H H2 . GAL B 2 . ? 13.497 4.022 -0.378 1.00 0.00 ? 101 GAL A H2 5 HETATM 2752 H H3 . GAL B 2 . ? 10.578 3.247 -0.875 1.00 0.00 ? 101 GAL A H3 5 HETATM 2753 H H4 . GAL B 2 . ? 11.219 2.848 -3.204 1.00 0.00 ? 101 GAL A H4 5 HETATM 2754 H H5 . GAL B 2 . ? 11.396 0.933 -1.713 1.00 0.00 ? 101 GAL A H5 5 HETATM 2755 H H61 . GAL B 2 . ? 12.942 -0.530 -2.876 1.00 0.00 ? 101 GAL A H61 5 HETATM 2756 H H62 . GAL B 2 . ? 12.163 0.553 -4.049 1.00 0.00 ? 101 GAL A H62 5 HETATM 2757 H HO2 . GAL B 2 . ? 12.806 4.463 1.662 1.00 0.00 ? 101 GAL A HO2 5 HETATM 2758 H HO3 . GAL B 2 . ? 11.147 5.536 -0.805 1.00 0.00 ? 101 GAL A HO3 5 HETATM 2759 H HO4 . GAL B 2 . ? 12.975 4.426 -3.084 1.00 0.00 ? 101 GAL A HO4 5 HETATM 2760 H HO6 . GAL B 2 . ? 14.110 1.949 -3.519 1.00 0.00 ? 101 GAL A HO6 5 ATOM 2761 N N . LYS A 1 1 ? -11.511 -4.726 4.000 1.00 0.00 ? 1 LYS A N 6 ATOM 2762 C CA . LYS A 1 1 ? -10.096 -4.306 4.188 1.00 0.00 ? 1 LYS A CA 6 ATOM 2763 C C . LYS A 1 1 ? -9.545 -3.650 2.913 1.00 0.00 ? 1 LYS A C 6 ATOM 2764 O O . LYS A 1 1 ? -9.540 -2.421 2.813 1.00 0.00 ? 1 LYS A O 6 ATOM 2765 C CB . LYS A 1 1 ? -9.229 -5.468 4.734 1.00 0.00 ? 1 LYS A CB 6 ATOM 2766 C CG . LYS A 1 1 ? -7.776 -5.062 5.038 1.00 0.00 ? 1 LYS A CG 6 ATOM 2767 C CD . LYS A 1 1 ? -6.926 -6.264 5.470 1.00 0.00 ? 1 LYS A CD 6 ATOM 2768 C CE . LYS A 1 1 ? -5.481 -5.818 5.720 1.00 0.00 ? 1 LYS A CE 6 ATOM 2769 N NZ . LYS A 1 1 ? -4.599 -6.970 6.021 1.00 0.00 ? 1 LYS A NZ 6 ATOM 2770 H H1 . LYS A 1 1 ? -11.889 -5.082 4.865 1.00 0.00 ? 1 LYS A H1 6 ATOM 2771 H H2 . LYS A 1 1 ? -11.586 -5.450 3.301 1.00 0.00 ? 1 LYS A H2 6 ATOM 2772 H H3 . LYS A 1 1 ? -12.080 -3.942 3.711 1.00 0.00 ? 1 LYS A H3 6 ATOM 2773 H HA . LYS A 1 1 ? -10.086 -3.521 4.945 1.00 0.00 ? 1 LYS A HA 6 ATOM 2774 H HB2 . LYS A 1 1 ? -9.678 -5.838 5.658 1.00 0.00 ? 1 LYS A HB2 6 ATOM 2775 H HB3 . LYS A 1 1 ? -9.226 -6.290 4.015 1.00 0.00 ? 1 LYS A HB3 6 ATOM 2776 H HG2 . LYS A 1 1 ? -7.321 -4.637 4.147 1.00 0.00 ? 1 LYS A HG2 6 ATOM 2777 H HG3 . LYS A 1 1 ? -7.770 -4.310 5.828 1.00 0.00 ? 1 LYS A HG3 6 ATOM 2778 H HD2 . LYS A 1 1 ? -7.339 -6.697 6.384 1.00 0.00 ? 1 LYS A HD2 6 ATOM 2779 H HD3 . LYS A 1 1 ? -6.939 -7.018 4.680 1.00 0.00 ? 1 LYS A HD3 6 ATOM 2780 H HE2 . LYS A 1 1 ? -5.111 -5.303 4.827 1.00 0.00 ? 1 LYS A HE2 6 ATOM 2781 H HE3 . LYS A 1 1 ? -5.466 -5.108 6.551 1.00 0.00 ? 1 LYS A HE3 6 ATOM 2782 H HZ1 . LYS A 1 1 ? -3.647 -6.669 6.176 1.00 0.00 ? 1 LYS A HZ1 6 ATOM 2783 H HZ2 . LYS A 1 1 ? -4.911 -7.481 6.835 1.00 0.00 ? 1 LYS A HZ2 6 ATOM 2784 H HZ3 . LYS A 1 1 ? -4.562 -7.616 5.231 1.00 0.00 ? 1 LYS A HZ3 6 ATOM 2785 N N . LEU A 1 2 ? -9.112 -4.446 1.928 1.00 0.00 ? 2 LEU A N 6 ATOM 2786 C CA . LEU A 1 2 ? -8.521 -4.032 0.644 1.00 0.00 ? 2 LEU A CA 6 ATOM 2787 C C . LEU A 1 2 ? -9.254 -4.690 -0.554 1.00 0.00 ? 2 LEU A C 6 ATOM 2788 O O . LEU A 1 2 ? -9.968 -5.679 -0.349 1.00 0.00 ? 2 LEU A O 6 ATOM 2789 C CB . LEU A 1 2 ? -7.022 -4.401 0.668 1.00 0.00 ? 2 LEU A CB 6 ATOM 2790 C CG . LEU A 1 2 ? -6.162 -3.493 1.566 1.00 0.00 ? 2 LEU A CG 6 ATOM 2791 C CD1 . LEU A 1 2 ? -4.809 -4.143 1.844 1.00 0.00 ? 2 LEU A CD1 6 ATOM 2792 C CD2 . LEU A 1 2 ? -5.902 -2.149 0.898 1.00 0.00 ? 2 LEU A CD2 6 ATOM 2793 H H . LEU A 1 2 ? -9.147 -5.442 2.079 1.00 0.00 ? 2 LEU A H 6 ATOM 2794 H HA . LEU A 1 2 ? -8.624 -2.955 0.536 1.00 0.00 ? 2 LEU A HA 6 ATOM 2795 H HB2 . LEU A 1 2 ? -6.931 -5.436 1.010 1.00 0.00 ? 2 LEU A HB2 6 ATOM 2796 H HB3 . LEU A 1 2 ? -6.621 -4.344 -0.343 1.00 0.00 ? 2 LEU A HB3 6 ATOM 2797 H HG . LEU A 1 2 ? -6.663 -3.317 2.513 1.00 0.00 ? 2 LEU A HG 6 ATOM 2798 H HD11 . LEU A 1 2 ? -4.960 -5.100 2.341 1.00 0.00 ? 2 LEU A HD11 6 ATOM 2799 H HD12 . LEU A 1 2 ? -4.278 -4.301 0.905 1.00 0.00 ? 2 LEU A HD12 6 ATOM 2800 H HD13 . LEU A 1 2 ? -4.216 -3.499 2.493 1.00 0.00 ? 2 LEU A HD13 6 ATOM 2801 H HD21 . LEU A 1 2 ? -6.844 -1.690 0.615 1.00 0.00 ? 2 LEU A HD21 6 ATOM 2802 H HD22 . LEU A 1 2 ? -5.386 -1.489 1.595 1.00 0.00 ? 2 LEU A HD22 6 ATOM 2803 H HD23 . LEU A 1 2 ? -5.290 -2.296 0.012 1.00 0.00 ? 2 LEU A HD23 6 ATOM 2804 N N . PRO A 1 3 ? -9.106 -4.174 -1.795 1.00 0.00 ? 3 PRO A N 6 ATOM 2805 C CA . PRO A 1 3 ? -9.749 -4.744 -2.987 1.00 0.00 ? 3 PRO A CA 6 ATOM 2806 C C . PRO A 1 3 ? -9.167 -6.123 -3.379 1.00 0.00 ? 3 PRO A C 6 ATOM 2807 O O . PRO A 1 3 ? -8.136 -6.531 -2.832 1.00 0.00 ? 3 PRO A O 6 ATOM 2808 C CB . PRO A 1 3 ? -9.576 -3.703 -4.106 1.00 0.00 ? 3 PRO A CB 6 ATOM 2809 C CG . PRO A 1 3 ? -9.059 -2.446 -3.412 1.00 0.00 ? 3 PRO A CG 6 ATOM 2810 C CD . PRO A 1 3 ? -8.361 -2.982 -2.169 1.00 0.00 ? 3 PRO A CD 6 ATOM 2811 H HA . PRO A 1 3 ? -10.813 -4.857 -2.778 1.00 0.00 ? 3 PRO A HA 6 ATOM 2812 H HB2 . PRO A 1 3 ? -8.841 -4.041 -4.836 1.00 0.00 ? 3 PRO A HB2 6 ATOM 2813 H HB3 . PRO A 1 3 ? -10.527 -3.502 -4.605 1.00 0.00 ? 3 PRO A HB3 6 ATOM 2814 H HG2 . PRO A 1 3 ? -8.365 -1.902 -4.054 1.00 0.00 ? 3 PRO A HG2 6 ATOM 2815 H HG3 . PRO A 1 3 ? -9.898 -1.816 -3.118 1.00 0.00 ? 3 PRO A HG3 6 ATOM 2816 H HD2 . PRO A 1 3 ? -7.337 -3.257 -2.419 1.00 0.00 ? 3 PRO A HD2 6 ATOM 2817 H HD3 . PRO A 1 3 ? -8.365 -2.224 -1.387 1.00 0.00 ? 3 PRO A HD3 6 ATOM 2818 N N . PRO A 1 4 ? -9.775 -6.851 -4.340 1.00 0.00 ? 4 PRO A N 6 ATOM 2819 C CA . PRO A 1 4 ? -9.370 -8.211 -4.708 1.00 0.00 ? 4 PRO A CA 6 ATOM 2820 C C . PRO A 1 4 ? -7.873 -8.362 -5.034 1.00 0.00 ? 4 PRO A C 6 ATOM 2821 O O . PRO A 1 4 ? -7.336 -7.703 -5.930 1.00 0.00 ? 4 PRO A O 6 ATOM 2822 C CB . PRO A 1 4 ? -10.263 -8.603 -5.891 1.00 0.00 ? 4 PRO A CB 6 ATOM 2823 C CG . PRO A 1 4 ? -11.538 -7.805 -5.624 1.00 0.00 ? 4 PRO A CG 6 ATOM 2824 C CD . PRO A 1 4 ? -10.999 -6.496 -5.047 1.00 0.00 ? 4 PRO A CD 6 ATOM 2825 H HA . PRO A 1 4 ? -9.615 -8.865 -3.869 1.00 0.00 ? 4 PRO A HA 6 ATOM 2826 H HB2 . PRO A 1 4 ? -9.820 -8.270 -6.831 1.00 0.00 ? 4 PRO A HB2 6 ATOM 2827 H HB3 . PRO A 1 4 ? -10.455 -9.676 -5.914 1.00 0.00 ? 4 PRO A HB3 6 ATOM 2828 H HG2 . PRO A 1 4 ? -12.112 -7.638 -6.536 1.00 0.00 ? 4 PRO A HG2 6 ATOM 2829 H HG3 . PRO A 1 4 ? -12.143 -8.316 -4.873 1.00 0.00 ? 4 PRO A HG3 6 ATOM 2830 H HD2 . PRO A 1 4 ? -10.761 -5.809 -5.860 1.00 0.00 ? 4 PRO A HD2 6 ATOM 2831 H HD3 . PRO A 1 4 ? -11.742 -6.056 -4.381 1.00 0.00 ? 4 PRO A HD3 6 ATOM 2832 N N . GLY A 1 5 ? -7.200 -9.245 -4.291 1.00 0.00 ? 5 GLY A N 6 ATOM 2833 C CA . GLY A 1 5 ? -5.772 -9.559 -4.422 1.00 0.00 ? 5 GLY A CA 6 ATOM 2834 C C . GLY A 1 5 ? -4.798 -8.608 -3.716 1.00 0.00 ? 5 GLY A C 6 ATOM 2835 O O . GLY A 1 5 ? -3.632 -8.973 -3.550 1.00 0.00 ? 5 GLY A O 6 ATOM 2836 H H . GLY A 1 5 ? -7.714 -9.732 -3.570 1.00 0.00 ? 5 GLY A H 6 ATOM 2837 H HA2 . GLY A 1 5 ? -5.603 -10.562 -4.024 1.00 0.00 ? 5 GLY A HA2 6 ATOM 2838 H HA3 . GLY A 1 5 ? -5.513 -9.556 -5.482 1.00 0.00 ? 5 GLY A HA3 6 ATOM 2839 N N . TRP A 1 6 ? -5.230 -7.421 -3.278 1.00 0.00 ? 6 TRP A N 6 ATOM 2840 C CA . TRP A 1 6 ? -4.377 -6.444 -2.590 1.00 0.00 ? 6 TRP A CA 6 ATOM 2841 C C . TRP A 1 6 ? -4.076 -6.788 -1.122 1.00 0.00 ? 6 TRP A C 6 ATOM 2842 O O . TRP A 1 6 ? -4.971 -7.164 -0.362 1.00 0.00 ? 6 TRP A O 6 ATOM 2843 C CB . TRP A 1 6 ? -4.971 -5.034 -2.692 1.00 0.00 ? 6 TRP A CB 6 ATOM 2844 C CG . TRP A 1 6 ? -4.965 -4.404 -4.051 1.00 0.00 ? 6 TRP A CG 6 ATOM 2845 C CD1 . TRP A 1 6 ? -5.952 -4.526 -4.966 1.00 0.00 ? 6 TRP A CD1 6 ATOM 2846 C CD2 . TRP A 1 6 ? -3.855 -3.771 -4.760 1.00 0.00 ? 6 TRP A CD2 6 ATOM 2847 N NE1 . TRP A 1 6 ? -5.584 -3.907 -6.143 1.00 0.00 ? 6 TRP A NE1 6 ATOM 2848 C CE2 . TRP A 1 6 ? -4.283 -3.459 -6.086 1.00 0.00 ? 6 TRP A CE2 6 ATOM 2849 C CE3 . TRP A 1 6 ? -2.529 -3.425 -4.419 1.00 0.00 ? 6 TRP A CE3 6 ATOM 2850 C CZ2 . TRP A 1 6 ? -3.439 -2.861 -7.030 1.00 0.00 ? 6 TRP A CZ2 6 ATOM 2851 C CZ3 . TRP A 1 6 ? -1.678 -2.799 -5.352 1.00 0.00 ? 6 TRP A CZ3 6 ATOM 2852 C CH2 . TRP A 1 6 ? -2.128 -2.521 -6.656 1.00 0.00 ? 6 TRP A CH2 6 ATOM 2853 H H . TRP A 1 6 ? -6.211 -7.194 -3.389 1.00 0.00 ? 6 TRP A H 6 ATOM 2854 H HA . TRP A 1 6 ? -3.418 -6.413 -3.107 1.00 0.00 ? 6 TRP A HA 6 ATOM 2855 H HB2 . TRP A 1 6 ? -5.998 -5.073 -2.336 1.00 0.00 ? 6 TRP A HB2 6 ATOM 2856 H HB3 . TRP A 1 6 ? -4.405 -4.373 -2.030 1.00 0.00 ? 6 TRP A HB3 6 ATOM 2857 H HD1 . TRP A 1 6 ? -6.896 -5.025 -4.788 1.00 0.00 ? 6 TRP A HD1 6 ATOM 2858 H HE1 . TRP A 1 6 ? -6.201 -3.822 -6.947 1.00 0.00 ? 6 TRP A HE1 6 ATOM 2859 H HE3 . TRP A 1 6 ? -2.174 -3.640 -3.421 1.00 0.00 ? 6 TRP A HE3 6 ATOM 2860 H HZ2 . TRP A 1 6 ? -3.798 -2.682 -8.033 1.00 0.00 ? 6 TRP A HZ2 6 ATOM 2861 H HZ3 . TRP A 1 6 ? -0.670 -2.534 -5.066 1.00 0.00 ? 6 TRP A HZ3 6 ATOM 2862 H HH2 . TRP A 1 6 ? -1.464 -2.050 -7.369 1.00 0.00 ? 6 TRP A HH2 6 ATOM 2863 N N . GLU A 1 7 ? -2.828 -6.578 -0.704 1.00 0.00 ? 7 GLU A N 6 ATOM 2864 C CA . GLU A 1 7 ? -2.354 -6.640 0.685 1.00 0.00 ? 7 GLU A CA 6 ATOM 2865 C C . GLU A 1 7 ? -1.235 -5.620 0.959 1.00 0.00 ? 7 GLU A C 6 ATOM 2866 O O . GLU A 1 7 ? -0.599 -5.105 0.033 1.00 0.00 ? 7 GLU A O 6 ATOM 2867 C CB . GLU A 1 7 ? -1.889 -8.069 1.049 1.00 0.00 ? 7 GLU A CB 6 ATOM 2868 C CG . GLU A 1 7 ? -2.930 -8.872 1.847 1.00 0.00 ? 7 GLU A CG 6 ATOM 2869 C CD . GLU A 1 7 ? -3.312 -8.245 3.206 1.00 0.00 ? 7 GLU A CD 6 ATOM 2870 O OE1 . GLU A 1 7 ? -2.684 -7.255 3.655 1.00 0.00 ? 7 GLU A OE1 6 ATOM 2871 O OE2 . GLU A 1 7 ? -4.262 -8.742 3.857 1.00 0.00 ? 7 GLU A OE2 6 ATOM 2872 H H . GLU A 1 7 ? -2.133 -6.331 -1.402 1.00 0.00 ? 7 GLU A H 6 ATOM 2873 H HA . GLU A 1 7 ? -3.178 -6.364 1.340 1.00 0.00 ? 7 GLU A HA 6 ATOM 2874 H HB2 . GLU A 1 7 ? -1.639 -8.617 0.138 1.00 0.00 ? 7 GLU A HB2 6 ATOM 2875 H HB3 . GLU A 1 7 ? -0.977 -8.022 1.646 1.00 0.00 ? 7 GLU A HB3 6 ATOM 2876 H HG2 . GLU A 1 7 ? -3.826 -8.994 1.236 1.00 0.00 ? 7 GLU A HG2 6 ATOM 2877 H HG3 . GLU A 1 7 ? -2.520 -9.869 2.025 1.00 0.00 ? 7 GLU A HG3 6 ATOM 2878 N N . LYS A 1 8 ? -0.972 -5.333 2.240 1.00 0.00 ? 8 LYS A N 6 ATOM 2879 C CA . LYS A 1 8 ? 0.192 -4.540 2.672 1.00 0.00 ? 8 LYS A CA 6 ATOM 2880 C C . LYS A 1 8 ? 1.515 -5.288 2.510 1.00 0.00 ? 8 LYS A C 6 ATOM 2881 O O . LYS A 1 8 ? 1.591 -6.510 2.677 1.00 0.00 ? 8 LYS A O 6 ATOM 2882 C CB . LYS A 1 8 ? 0.014 -3.991 4.096 1.00 0.00 ? 8 LYS A CB 6 ATOM 2883 C CG . LYS A 1 8 ? -0.902 -2.759 4.069 1.00 0.00 ? 8 LYS A CG 6 ATOM 2884 C CD . LYS A 1 8 ? -1.173 -2.175 5.462 1.00 0.00 ? 8 LYS A CD 6 ATOM 2885 C CE . LYS A 1 8 ? 0.073 -1.495 6.047 1.00 0.00 ? 8 LYS A CE 6 ATOM 2886 N NZ . LYS A 1 8 ? -0.206 -0.917 7.387 1.00 0.00 ? 8 LYS A NZ 6 ATOM 2887 H H . LYS A 1 8 ? -1.516 -5.826 2.947 1.00 0.00 ? 8 LYS A H 6 ATOM 2888 H HA . LYS A 1 8 ? 0.264 -3.680 2.004 1.00 0.00 ? 8 LYS A HA 6 ATOM 2889 H HB2 . LYS A 1 8 ? -0.404 -4.764 4.745 1.00 0.00 ? 8 LYS A HB2 6 ATOM 2890 H HB3 . LYS A 1 8 ? 0.987 -3.693 4.490 1.00 0.00 ? 8 LYS A HB3 6 ATOM 2891 H HG2 . LYS A 1 8 ? -0.439 -1.986 3.450 1.00 0.00 ? 8 LYS A HG2 6 ATOM 2892 H HG3 . LYS A 1 8 ? -1.851 -3.048 3.614 1.00 0.00 ? 8 LYS A HG3 6 ATOM 2893 H HD2 . LYS A 1 8 ? -1.969 -1.433 5.372 1.00 0.00 ? 8 LYS A HD2 6 ATOM 2894 H HD3 . LYS A 1 8 ? -1.515 -2.969 6.128 1.00 0.00 ? 8 LYS A HD3 6 ATOM 2895 H HE2 . LYS A 1 8 ? 0.888 -2.221 6.121 1.00 0.00 ? 8 LYS A HE2 6 ATOM 2896 H HE3 . LYS A 1 8 ? 0.393 -0.704 5.362 1.00 0.00 ? 8 LYS A HE3 6 ATOM 2897 H HZ1 . LYS A 1 8 ? -0.942 -0.225 7.341 1.00 0.00 ? 8 LYS A HZ1 6 ATOM 2898 H HZ2 . LYS A 1 8 ? -0.492 -1.631 8.043 1.00 0.00 ? 8 LYS A HZ2 6 ATOM 2899 H HZ3 . LYS A 1 8 ? 0.615 -0.465 7.767 1.00 0.00 ? 8 LYS A HZ3 6 ATOM 2900 N N . ARG A 1 9 ? 2.561 -4.536 2.173 1.00 0.00 ? 9 ARG A N 6 ATOM 2901 C CA . ARG A 1 9 ? 3.930 -4.994 1.879 1.00 0.00 ? 9 ARG A CA 6 ATOM 2902 C C . ARG A 1 9 ? 4.947 -3.970 2.406 1.00 0.00 ? 9 ARG A C 6 ATOM 2903 O O . ARG A 1 9 ? 4.573 -2.849 2.755 1.00 0.00 ? 9 ARG A O 6 ATOM 2904 C CB . ARG A 1 9 ? 4.044 -5.193 0.349 1.00 0.00 ? 9 ARG A CB 6 ATOM 2905 C CG . ARG A 1 9 ? 4.937 -6.373 -0.075 1.00 0.00 ? 9 ARG A CG 6 ATOM 2906 C CD . ARG A 1 9 ? 4.200 -7.722 -0.162 1.00 0.00 ? 9 ARG A CD 6 ATOM 2907 N NE . ARG A 1 9 ? 3.456 -8.045 1.071 1.00 0.00 ? 9 ARG A NE 6 ATOM 2908 C CZ . ARG A 1 9 ? 3.530 -9.119 1.832 1.00 0.00 ? 9 ARG A CZ 6 ATOM 2909 N NH1 . ARG A 1 9 ? 2.768 -9.193 2.883 1.00 0.00 ? 9 ARG A NH1 6 ATOM 2910 N NH2 . ARG A 1 9 ? 4.334 -10.116 1.588 1.00 0.00 ? 9 ARG A NH2 6 ATOM 2911 H H . ARG A 1 9 ? 2.378 -3.542 2.060 1.00 0.00 ? 9 ARG A H 6 ATOM 2912 H HA . ARG A 1 9 ? 4.123 -5.931 2.402 1.00 0.00 ? 9 ARG A HA 6 ATOM 2913 H HB2 . ARG A 1 9 ? 3.055 -5.343 -0.087 1.00 0.00 ? 9 ARG A HB2 6 ATOM 2914 H HB3 . ARG A 1 9 ? 4.436 -4.275 -0.085 1.00 0.00 ? 9 ARG A HB3 6 ATOM 2915 H HG2 . ARG A 1 9 ? 5.317 -6.156 -1.075 1.00 0.00 ? 9 ARG A HG2 6 ATOM 2916 H HG3 . ARG A 1 9 ? 5.783 -6.464 0.608 1.00 0.00 ? 9 ARG A HG3 6 ATOM 2917 H HD2 . ARG A 1 9 ? 3.488 -7.673 -0.990 1.00 0.00 ? 9 ARG A HD2 6 ATOM 2918 H HD3 . ARG A 1 9 ? 4.935 -8.497 -0.390 1.00 0.00 ? 9 ARG A HD3 6 ATOM 2919 H HE . ARG A 1 9 ? 2.754 -7.377 1.364 1.00 0.00 ? 9 ARG A HE 6 ATOM 2920 H HH11 . ARG A 1 9 ? 2.157 -8.411 3.094 1.00 0.00 ? 9 ARG A HH11 6 ATOM 2921 H HH12 . ARG A 1 9 ? 2.801 -9.997 3.488 1.00 0.00 ? 9 ARG A HH12 6 ATOM 2922 H HH21 . ARG A 1 9 ? 4.931 -10.081 0.779 1.00 0.00 ? 9 ARG A HH21 6 ATOM 2923 H HH22 . ARG A 1 9 ? 4.356 -10.915 2.200 1.00 0.00 ? 9 ARG A HH22 6 ATOM 2924 N N . MET A 1 10 ? 6.229 -4.330 2.473 1.00 0.00 ? 10 MET A N 6 ATOM 2925 C CA . MET A 1 10 ? 7.273 -3.462 3.040 1.00 0.00 ? 10 MET A CA 6 ATOM 2926 C C . MET A 1 10 ? 8.666 -3.777 2.475 1.00 0.00 ? 10 MET A C 6 ATOM 2927 O O . MET A 1 10 ? 9.056 -4.939 2.339 1.00 0.00 ? 10 MET A O 6 ATOM 2928 C CB . MET A 1 10 ? 7.266 -3.581 4.577 1.00 0.00 ? 10 MET A CB 6 ATOM 2929 C CG . MET A 1 10 ? 8.127 -2.508 5.258 1.00 0.00 ? 10 MET A CG 6 ATOM 2930 S SD . MET A 1 10 ? 8.243 -2.644 7.063 1.00 0.00 ? 10 MET A SD 6 ATOM 2931 C CE . MET A 1 10 ? 9.389 -4.045 7.202 1.00 0.00 ? 10 MET A CE 6 ATOM 2932 H H . MET A 1 10 ? 6.491 -5.256 2.170 1.00 0.00 ? 10 MET A H 6 ATOM 2933 H HA . MET A 1 10 ? 7.034 -2.432 2.777 1.00 0.00 ? 10 MET A HA 6 ATOM 2934 H HB2 . MET A 1 10 ? 6.246 -3.476 4.946 1.00 0.00 ? 10 MET A HB2 6 ATOM 2935 H HB3 . MET A 1 10 ? 7.629 -4.571 4.857 1.00 0.00 ? 10 MET A HB3 6 ATOM 2936 H HG2 . MET A 1 10 ? 9.137 -2.531 4.852 1.00 0.00 ? 10 MET A HG2 6 ATOM 2937 H HG3 . MET A 1 10 ? 7.694 -1.535 5.028 1.00 0.00 ? 10 MET A HG3 6 ATOM 2938 H HE1 . MET A 1 10 ? 8.940 -4.940 6.771 1.00 0.00 ? 10 MET A HE1 6 ATOM 2939 H HE2 . MET A 1 10 ? 10.316 -3.817 6.675 1.00 0.00 ? 10 MET A HE2 6 ATOM 2940 H HE3 . MET A 1 10 ? 9.611 -4.231 8.253 1.00 0.00 ? 10 MET A HE3 6 ATOM 2941 N N . PHE A 1 11 ? 9.409 -2.720 2.149 1.00 0.00 ? 11 PHE A N 6 ATOM 2942 C CA . PHE A 1 11 ? 10.800 -2.749 1.694 1.00 0.00 ? 11 PHE A CA 6 ATOM 2943 C C . PHE A 1 11 ? 11.846 -3.041 2.787 1.00 0.00 ? 11 PHE A C 6 ATOM 2944 O O . PHE A 1 11 ? 11.584 -2.845 3.977 1.00 0.00 ? 11 PHE A O 6 ATOM 2945 C CB . PHE A 1 11 ? 11.107 -1.441 0.952 1.00 0.00 ? 11 PHE A CB 6 ATOM 2946 C CG . PHE A 1 11 ? 10.413 -1.268 -0.384 1.00 0.00 ? 11 PHE A CG 6 ATOM 2947 C CD1 . PHE A 1 11 ? 10.806 -2.031 -1.502 1.00 0.00 ? 11 PHE A CD1 6 ATOM 2948 C CD2 . PHE A 1 11 ? 9.388 -0.313 -0.518 1.00 0.00 ? 11 PHE A CD2 6 ATOM 2949 C CE1 . PHE A 1 11 ? 10.173 -1.836 -2.744 1.00 0.00 ? 11 PHE A CE1 6 ATOM 2950 C CE2 . PHE A 1 11 ? 8.760 -0.116 -1.758 1.00 0.00 ? 11 PHE A CE2 6 ATOM 2951 C CZ . PHE A 1 11 ? 9.150 -0.879 -2.872 1.00 0.00 ? 11 PHE A CZ 6 ATOM 2952 H H . PHE A 1 11 ? 8.999 -1.803 2.298 1.00 0.00 ? 11 PHE A H 6 ATOM 2953 H HA . PHE A 1 11 ? 10.894 -3.559 0.968 1.00 0.00 ? 11 PHE A HA 6 ATOM 2954 H HB2 . PHE A 1 11 ? 10.816 -0.615 1.601 1.00 0.00 ? 11 PHE A HB2 6 ATOM 2955 H HB3 . PHE A 1 11 ? 12.182 -1.374 0.770 1.00 0.00 ? 11 PHE A HB3 6 ATOM 2956 H HD1 . PHE A 1 11 ? 11.597 -2.762 -1.410 1.00 0.00 ? 11 PHE A HD1 6 ATOM 2957 H HD2 . PHE A 1 11 ? 9.074 0.271 0.336 1.00 0.00 ? 11 PHE A HD2 6 ATOM 2958 H HE1 . PHE A 1 11 ? 10.472 -2.426 -3.602 1.00 0.00 ? 11 PHE A HE1 6 ATOM 2959 H HE2 . PHE A 1 11 ? 7.961 0.606 -1.844 1.00 0.00 ? 11 PHE A HE2 6 ATOM 2960 H HZ . PHE A 1 11 ? 8.658 -0.736 -3.826 1.00 0.00 ? 11 PHE A HZ 6 ATOM 2961 N N . ALA A 1 12 ? 13.061 -3.443 2.397 1.00 0.00 ? 12 ALA A N 6 ATOM 2962 C CA . ALA A 1 12 ? 14.171 -3.713 3.323 1.00 0.00 ? 12 ALA A CA 6 ATOM 2963 C C . ALA A 1 12 ? 14.637 -2.474 4.129 1.00 0.00 ? 12 ALA A C 6 ATOM 2964 O O . ALA A 1 12 ? 15.205 -2.615 5.216 1.00 0.00 ? 12 ALA A O 6 ATOM 2965 C CB . ALA A 1 12 ? 15.327 -4.307 2.506 1.00 0.00 ? 12 ALA A CB 6 ATOM 2966 H H . ALA A 1 12 ? 13.226 -3.587 1.410 1.00 0.00 ? 12 ALA A H 6 ATOM 2967 H HA . ALA A 1 12 ? 13.843 -4.463 4.044 1.00 0.00 ? 12 ALA A HA 6 ATOM 2968 H HB1 . ALA A 1 12 ? 15.682 -3.580 1.773 1.00 0.00 ? 12 ALA A HB1 6 ATOM 2969 H HB2 . ALA A 1 12 ? 16.150 -4.569 3.174 1.00 0.00 ? 12 ALA A HB2 6 ATOM 2970 H HB3 . ALA A 1 12 ? 14.993 -5.209 1.991 1.00 0.00 ? 12 ALA A HB3 6 ATOM 2971 N N . ASN A 1 13 ? 14.372 -1.263 3.624 1.00 0.00 ? 13 ASN A N 6 ATOM 2972 C CA . ASN A 1 13 ? 14.605 0.019 4.310 1.00 0.00 ? 13 ASN A CA 6 ATOM 2973 C C . ASN A 1 13 ? 13.527 0.387 5.363 1.00 0.00 ? 13 ASN A C 6 ATOM 2974 O O . ASN A 1 13 ? 13.672 1.397 6.057 1.00 0.00 ? 13 ASN A O 6 ATOM 2975 C CB . ASN A 1 13 ? 14.771 1.131 3.249 1.00 0.00 ? 13 ASN A CB 6 ATOM 2976 C CG . ASN A 1 13 ? 13.562 1.312 2.338 1.00 0.00 ? 13 ASN A CG 6 ATOM 2977 O OD1 . ASN A 1 13 ? 12.469 0.857 2.657 1.00 0.00 ? 13 ASN A OD1 6 ATOM 2978 N ND2 . ASN A 1 13 ? 13.751 1.972 1.206 1.00 0.00 ? 13 ASN A ND2 6 ATOM 2979 H H . ASN A 1 13 ? 13.909 -1.232 2.727 1.00 0.00 ? 13 ASN A H 6 ATOM 2980 H HA . ASN A 1 13 ? 15.547 -0.055 4.857 1.00 0.00 ? 13 ASN A HA 6 ATOM 2981 H HB2 . ASN A 1 13 ? 14.967 2.083 3.746 1.00 0.00 ? 13 ASN A HB2 6 ATOM 2982 H HB3 . ASN A 1 13 ? 15.634 0.885 2.626 1.00 0.00 ? 13 ASN A HB3 6 ATOM 2983 H HD21 . ASN A 1 13 ? 14.670 2.335 1.007 1.00 0.00 ? 13 ASN A HD21 6 ATOM 2984 N N . GLY A 1 14 ? 12.451 -0.403 5.490 1.00 0.00 ? 14 GLY A N 6 ATOM 2985 C CA . GLY A 1 14 ? 11.337 -0.161 6.417 1.00 0.00 ? 14 GLY A CA 6 ATOM 2986 C C . GLY A 1 14 ? 10.191 0.706 5.867 1.00 0.00 ? 14 GLY A C 6 ATOM 2987 O O . GLY A 1 14 ? 9.368 1.184 6.652 1.00 0.00 ? 14 GLY A O 6 ATOM 2988 H H . GLY A 1 14 ? 12.388 -1.219 4.892 1.00 0.00 ? 14 GLY A H 6 ATOM 2989 H HA2 . GLY A 1 14 ? 10.910 -1.129 6.684 1.00 0.00 ? 14 GLY A HA2 6 ATOM 2990 H HA3 . GLY A 1 14 ? 11.715 0.312 7.326 1.00 0.00 ? 14 GLY A HA3 6 ATOM 2991 N N . THR A 1 15 ? 10.100 0.909 4.546 1.00 0.00 ? 15 THR A N 6 ATOM 2992 C CA . THR A 1 15 ? 9.047 1.723 3.904 1.00 0.00 ? 15 THR A CA 6 ATOM 2993 C C . THR A 1 15 ? 7.913 0.791 3.466 1.00 0.00 ? 15 THR A C 6 ATOM 2994 O O . THR A 1 15 ? 8.148 -0.222 2.805 1.00 0.00 ? 15 THR A O 6 ATOM 2995 C CB . THR A 1 15 ? 9.621 2.445 2.671 1.00 0.00 ? 15 THR A CB 6 ATOM 2996 O OG1 . THR A 1 15 ? 10.494 3.469 3.100 1.00 0.00 ? 15 THR A OG1 6 ATOM 2997 C CG2 . THR A 1 15 ? 8.569 3.100 1.771 1.00 0.00 ? 15 THR A CG2 6 ATOM 2998 H H . THR A 1 15 ? 10.840 0.547 3.955 1.00 0.00 ? 15 THR A H 6 ATOM 2999 H HA . THR A 1 15 ? 8.657 2.468 4.596 1.00 0.00 ? 15 THR A HA 6 ATOM 3000 H HB . THR A 1 15 ? 10.177 1.733 2.064 1.00 0.00 ? 15 THR A HB 6 ATOM 3001 H HG1 . THR A 1 15 ? 10.996 3.753 2.311 1.00 0.00 ? 15 THR A HG1 6 ATOM 3002 H HG21 . THR A 1 15 ? 7.975 2.336 1.269 1.00 0.00 ? 15 THR A HG21 6 ATOM 3003 H HG22 . THR A 1 15 ? 7.915 3.741 2.364 1.00 0.00 ? 15 THR A HG22 6 ATOM 3004 H HG23 . THR A 1 15 ? 9.061 3.699 1.004 1.00 0.00 ? 15 THR A HG23 6 ATOM 3005 N N . VAL A 1 16 ? 6.672 1.146 3.810 1.00 0.00 ? 16 VAL A N 6 ATOM 3006 C CA . VAL A 1 16 ? 5.463 0.331 3.570 1.00 0.00 ? 16 VAL A CA 6 ATOM 3007 C C . VAL A 1 16 ? 4.806 0.768 2.255 1.00 0.00 ? 16 VAL A C 6 ATOM 3008 O O . VAL A 1 16 ? 4.798 1.951 1.903 1.00 0.00 ? 16 VAL A O 6 ATOM 3009 C CB . VAL A 1 16 ? 4.477 0.491 4.751 1.00 0.00 ? 16 VAL A CB 6 ATOM 3010 C CG1 . VAL A 1 16 ? 3.062 -0.046 4.491 1.00 0.00 ? 16 VAL A CG1 6 ATOM 3011 C CG2 . VAL A 1 16 ? 5.006 -0.241 5.990 1.00 0.00 ? 16 VAL A CG2 6 ATOM 3012 H H . VAL A 1 16 ? 6.553 2.014 4.313 1.00 0.00 ? 16 VAL A H 6 ATOM 3013 H HA . VAL A 1 16 ? 5.734 -0.721 3.489 1.00 0.00 ? 16 VAL A HA 6 ATOM 3014 H HB . VAL A 1 16 ? 4.387 1.552 4.990 1.00 0.00 ? 16 VAL A HB 6 ATOM 3015 H HG11 . VAL A 1 16 ? 2.462 0.067 5.392 1.00 0.00 ? 16 VAL A HG11 6 ATOM 3016 H HG12 . VAL A 1 16 ? 2.577 0.520 3.697 1.00 0.00 ? 16 VAL A HG12 6 ATOM 3017 H HG13 . VAL A 1 16 ? 3.102 -1.101 4.215 1.00 0.00 ? 16 VAL A HG13 6 ATOM 3018 H HG21 . VAL A 1 16 ? 5.987 0.145 6.268 1.00 0.00 ? 16 VAL A HG21 6 ATOM 3019 H HG22 . VAL A 1 16 ? 4.322 -0.092 6.826 1.00 0.00 ? 16 VAL A HG22 6 ATOM 3020 H HG23 . VAL A 1 16 ? 5.082 -1.310 5.787 1.00 0.00 ? 16 VAL A HG23 6 ATOM 3021 N N . TYR A 1 17 ? 4.232 -0.201 1.542 1.00 0.00 ? 17 TYR A N 6 ATOM 3022 C CA . TYR A 1 17 ? 3.478 -0.015 0.300 1.00 0.00 ? 17 TYR A CA 6 ATOM 3023 C C . TYR A 1 17 ? 2.359 -1.071 0.194 1.00 0.00 ? 17 TYR A C 6 ATOM 3024 O O . TYR A 1 17 ? 2.187 -1.915 1.079 1.00 0.00 ? 17 TYR A O 6 ATOM 3025 C CB . TYR A 1 17 ? 4.450 -0.073 -0.897 1.00 0.00 ? 17 TYR A CB 6 ATOM 3026 C CG . TYR A 1 17 ? 5.159 -1.395 -1.160 1.00 0.00 ? 17 TYR A CG 6 ATOM 3027 C CD1 . TYR A 1 17 ? 6.296 -1.756 -0.409 1.00 0.00 ? 17 TYR A CD1 6 ATOM 3028 C CD2 . TYR A 1 17 ? 4.739 -2.221 -2.225 1.00 0.00 ? 17 TYR A CD2 6 ATOM 3029 C CE1 . TYR A 1 17 ? 7.037 -2.905 -0.748 1.00 0.00 ? 17 TYR A CE1 6 ATOM 3030 C CE2 . TYR A 1 17 ? 5.470 -3.378 -2.559 1.00 0.00 ? 17 TYR A CE2 6 ATOM 3031 C CZ . TYR A 1 17 ? 6.636 -3.709 -1.837 1.00 0.00 ? 17 TYR A CZ 6 ATOM 3032 O OH . TYR A 1 17 ? 7.369 -4.798 -2.191 1.00 0.00 ? 17 TYR A OH 6 ATOM 3033 H H . TYR A 1 17 ? 4.252 -1.143 1.922 1.00 0.00 ? 17 TYR A H 6 ATOM 3034 H HA . TYR A 1 17 ? 3.002 0.967 0.305 1.00 0.00 ? 17 TYR A HA 6 ATOM 3035 H HB2 . TYR A 1 17 ? 3.909 0.212 -1.797 1.00 0.00 ? 17 TYR A HB2 6 ATOM 3036 H HB3 . TYR A 1 17 ? 5.214 0.693 -0.753 1.00 0.00 ? 17 TYR A HB3 6 ATOM 3037 H HD1 . TYR A 1 17 ? 6.634 -1.121 0.400 1.00 0.00 ? 17 TYR A HD1 6 ATOM 3038 H HD2 . TYR A 1 17 ? 3.871 -1.954 -2.810 1.00 0.00 ? 17 TYR A HD2 6 ATOM 3039 H HE1 . TYR A 1 17 ? 7.935 -3.151 -0.205 1.00 0.00 ? 17 TYR A HE1 6 ATOM 3040 H HE2 . TYR A 1 17 ? 5.153 -4.008 -3.378 1.00 0.00 ? 17 TYR A HE2 6 ATOM 3041 H HH . TYR A 1 17 ? 8.193 -4.849 -1.693 1.00 0.00 ? 17 TYR A HH 6 ATOM 3042 N N . TYR A 1 18 ? 1.585 -1.024 -0.889 1.00 0.00 ? 18 TYR A N 6 ATOM 3043 C CA . TYR A 1 18 ? 0.512 -1.967 -1.211 1.00 0.00 ? 18 TYR A CA 6 ATOM 3044 C C . TYR A 1 18 ? 0.844 -2.811 -2.446 1.00 0.00 ? 18 TYR A C 6 ATOM 3045 O O . TYR A 1 18 ? 1.403 -2.295 -3.419 1.00 0.00 ? 18 TYR A O 6 ATOM 3046 C CB . TYR A 1 18 ? -0.827 -1.228 -1.339 1.00 0.00 ? 18 TYR A CB 6 ATOM 3047 C CG . TYR A 1 18 ? -1.290 -0.579 -0.045 1.00 0.00 ? 18 TYR A CG 6 ATOM 3048 C CD1 . TYR A 1 18 ? -2.128 -1.276 0.848 1.00 0.00 ? 18 TYR A CD1 6 ATOM 3049 C CD2 . TYR A 1 18 ? -0.858 0.725 0.272 1.00 0.00 ? 18 TYR A CD2 6 ATOM 3050 C CE1 . TYR A 1 18 ? -2.539 -0.664 2.049 1.00 0.00 ? 18 TYR A CE1 6 ATOM 3051 C CE2 . TYR A 1 18 ? -1.242 1.326 1.487 1.00 0.00 ? 18 TYR A CE2 6 ATOM 3052 C CZ . TYR A 1 18 ? -2.086 0.630 2.379 1.00 0.00 ? 18 TYR A CZ 6 ATOM 3053 O OH . TYR A 1 18 ? -2.461 1.195 3.557 1.00 0.00 ? 18 TYR A OH 6 ATOM 3054 H H . TYR A 1 18 ? 1.768 -0.299 -1.573 1.00 0.00 ? 18 TYR A H 6 ATOM 3055 H HA . TYR A 1 18 ? 0.400 -2.666 -0.381 1.00 0.00 ? 18 TYR A HA 6 ATOM 3056 H HB2 . TYR A 1 18 ? -0.741 -0.463 -2.114 1.00 0.00 ? 18 TYR A HB2 6 ATOM 3057 H HB3 . TYR A 1 18 ? -1.589 -1.945 -1.653 1.00 0.00 ? 18 TYR A HB3 6 ATOM 3058 H HD1 . TYR A 1 18 ? -2.451 -2.285 0.622 1.00 0.00 ? 18 TYR A HD1 6 ATOM 3059 H HD2 . TYR A 1 18 ? -0.217 1.262 -0.416 1.00 0.00 ? 18 TYR A HD2 6 ATOM 3060 H HE1 . TYR A 1 18 ? -3.182 -1.190 2.740 1.00 0.00 ? 18 TYR A HE1 6 ATOM 3061 H HE2 . TYR A 1 18 ? -0.895 2.320 1.732 1.00 0.00 ? 18 TYR A HE2 6 ATOM 3062 H HH . TYR A 1 18 ? -2.069 2.067 3.676 1.00 0.00 ? 18 TYR A HH 6 ATOM 3063 N N . PHE A 1 19 ? 0.508 -4.099 -2.421 1.00 0.00 ? 19 PHE A N 6 ATOM 3064 C CA . PHE A 1 19 ? 0.865 -5.065 -3.462 1.00 0.00 ? 19 PHE A CA 6 ATOM 3065 C C . PHE A 1 19 ? -0.263 -6.052 -3.780 1.00 0.00 ? 19 PHE A C 6 ATOM 3066 O O . PHE A 1 19 ? -0.890 -6.590 -2.866 1.00 0.00 ? 19 PHE A O 6 ATOM 3067 C CB . PHE A 1 19 ? 2.164 -5.780 -3.071 1.00 0.00 ? 19 PHE A CB 6 ATOM 3068 C CG . PHE A 1 19 ? 2.577 -6.841 -4.067 1.00 0.00 ? 19 PHE A CG 6 ATOM 3069 C CD1 . PHE A 1 19 ? 3.125 -6.418 -5.287 1.00 0.00 ? 19 PHE A CD1 6 ATOM 3070 C CD2 . PHE A 1 19 ? 2.375 -8.215 -3.825 1.00 0.00 ? 19 PHE A CD2 6 ATOM 3071 C CE1 . PHE A 1 19 ? 3.472 -7.352 -6.272 1.00 0.00 ? 19 PHE A CE1 6 ATOM 3072 C CE2 . PHE A 1 19 ? 2.750 -9.155 -4.803 1.00 0.00 ? 19 PHE A CE2 6 ATOM 3073 C CZ . PHE A 1 19 ? 3.296 -8.726 -6.027 1.00 0.00 ? 19 PHE A CZ 6 ATOM 3074 H H . PHE A 1 19 ? 0.053 -4.462 -1.589 1.00 0.00 ? 19 PHE A H 6 ATOM 3075 H HA . PHE A 1 19 ? 1.075 -4.535 -4.392 1.00 0.00 ? 19 PHE A HA 6 ATOM 3076 H HB2 . PHE A 1 19 ? 2.964 -5.041 -2.990 1.00 0.00 ? 19 PHE A HB2 6 ATOM 3077 H HB3 . PHE A 1 19 ? 2.028 -6.246 -2.094 1.00 0.00 ? 19 PHE A HB3 6 ATOM 3078 H HD1 . PHE A 1 19 ? 3.259 -5.364 -5.482 1.00 0.00 ? 19 PHE A HD1 6 ATOM 3079 H HD2 . PHE A 1 19 ? 1.924 -8.556 -2.902 1.00 0.00 ? 19 PHE A HD2 6 ATOM 3080 H HE1 . PHE A 1 19 ? 3.858 -6.994 -7.213 1.00 0.00 ? 19 PHE A HE1 6 ATOM 3081 H HE2 . PHE A 1 19 ? 2.605 -10.211 -4.618 1.00 0.00 ? 19 PHE A HE2 6 ATOM 3082 H HZ . PHE A 1 19 ? 3.568 -9.451 -6.783 1.00 0.00 ? 19 PHE A HZ 6 ATOM 3083 N N . ASN A 1 20 ? -0.521 -6.304 -5.065 1.00 0.00 ? 20 ASN A N 6 ATOM 3084 C CA . ASN A 1 20 ? -1.527 -7.259 -5.517 1.00 0.00 ? 20 ASN A CA 6 ATOM 3085 C C . ASN A 1 20 ? -0.881 -8.614 -5.853 1.00 0.00 ? 20 ASN A C 6 ATOM 3086 O O . ASN A 1 20 ? -0.108 -8.723 -6.806 1.00 0.00 ? 20 ASN A O 6 ATOM 3087 C CB . ASN A 1 20 ? -2.284 -6.662 -6.709 1.00 0.00 ? 20 ASN A CB 6 ATOM 3088 C CG . ASN A 1 20 ? -3.554 -7.447 -6.978 1.00 0.00 ? 20 ASN A CG 6 ATOM 3089 O OD1 . ASN A 1 20 ? -3.539 -8.656 -7.146 1.00 0.00 ? 20 ASN A OD1 6 ATOM 3090 N ND2 . ASN A 1 20 ? -4.687 -6.791 -7.025 1.00 0.00 ? 20 ASN A ND2 6 ATOM 3091 H H . ASN A 1 20 ? 0.037 -5.837 -5.771 1.00 0.00 ? 20 ASN A H 6 ATOM 3092 H HA . ASN A 1 20 ? -2.248 -7.412 -4.719 1.00 0.00 ? 20 ASN A HA 6 ATOM 3093 H HB2 . ASN A 1 20 ? -2.544 -5.629 -6.484 1.00 0.00 ? 20 ASN A HB2 6 ATOM 3094 H HB3 . ASN A 1 20 ? -1.656 -6.680 -7.599 1.00 0.00 ? 20 ASN A HB3 6 ATOM 3095 H HD21 . ASN A 1 20 ? -4.697 -5.805 -6.814 1.00 0.00 ? 20 ASN A HD21 6 ATOM 3096 H HD22 . ASN A 1 20 ? -5.553 -7.312 -7.080 1.00 0.00 ? 20 ASN A HD22 6 ATOM 3097 N N . HIS A 1 21 ? -1.224 -9.664 -5.103 1.00 0.00 ? 21 HIS A N 6 ATOM 3098 C CA . HIS A 1 21 ? -0.640 -11.001 -5.286 1.00 0.00 ? 21 HIS A CA 6 ATOM 3099 C C . HIS A 1 21 ? -1.165 -11.731 -6.540 1.00 0.00 ? 21 HIS A C 6 ATOM 3100 O O . HIS A 1 21 ? -0.481 -12.608 -7.073 1.00 0.00 ? 21 HIS A O 6 ATOM 3101 C CB . HIS A 1 21 ? -0.842 -11.822 -3.998 1.00 0.00 ? 21 HIS A CB 6 ATOM 3102 C CG . HIS A 1 21 ? -2.110 -12.647 -3.942 1.00 0.00 ? 21 HIS A CG 6 ATOM 3103 N ND1 . HIS A 1 21 ? -2.263 -13.934 -4.471 1.00 0.00 ? 21 HIS A ND1 6 ATOM 3104 C CD2 . HIS A 1 21 ? -3.263 -12.305 -3.297 1.00 0.00 ? 21 HIS A CD2 6 ATOM 3105 C CE1 . HIS A 1 21 ? -3.509 -14.325 -4.149 1.00 0.00 ? 21 HIS A CE1 6 ATOM 3106 N NE2 . HIS A 1 21 ? -4.132 -13.365 -3.445 1.00 0.00 ? 21 HIS A NE2 6 ATOM 3107 H H . HIS A 1 21 ? -1.902 -9.524 -4.359 1.00 0.00 ? 21 HIS A H 6 ATOM 3108 H HA . HIS A 1 21 ? 0.433 -10.880 -5.430 1.00 0.00 ? 21 HIS A HA 6 ATOM 3109 H HB2 . HIS A 1 21 ? 0.006 -12.506 -3.911 1.00 0.00 ? 21 HIS A HB2 6 ATOM 3110 H HB3 . HIS A 1 21 ? -0.812 -11.156 -3.130 1.00 0.00 ? 21 HIS A HB3 6 ATOM 3111 H HD2 . HIS A 1 21 ? -3.449 -11.382 -2.766 1.00 0.00 ? 21 HIS A HD2 6 ATOM 3112 H HE1 . HIS A 1 21 ? -3.948 -15.282 -4.410 1.00 0.00 ? 21 HIS A HE1 6 ATOM 3113 H HE2 . HIS A 1 21 ? -5.073 -13.432 -3.071 1.00 0.00 ? 21 HIS A HE2 6 ATOM 3114 N N . ILE A 1 22 ? -2.352 -11.358 -7.034 1.00 0.00 ? 22 ILE A N 6 ATOM 3115 C CA . ILE A 1 22 ? -3.017 -11.959 -8.199 1.00 0.00 ? 22 ILE A CA 6 ATOM 3116 C C . ILE A 1 22 ? -2.476 -11.371 -9.513 1.00 0.00 ? 22 ILE A C 6 ATOM 3117 O O . ILE A 1 22 ? -2.258 -12.098 -10.485 1.00 0.00 ? 22 ILE A O 6 ATOM 3118 C CB . ILE A 1 22 ? -4.550 -11.735 -8.088 1.00 0.00 ? 22 ILE A CB 6 ATOM 3119 C CG1 . ILE A 1 22 ? -5.085 -12.274 -6.736 1.00 0.00 ? 22 ILE A CG1 6 ATOM 3120 C CG2 . ILE A 1 22 ? -5.280 -12.397 -9.270 1.00 0.00 ? 22 ILE A CG2 6 ATOM 3121 C CD1 . ILE A 1 22 ? -6.604 -12.165 -6.541 1.00 0.00 ? 22 ILE A CD1 6 ATOM 3122 H H . ILE A 1 22 ? -2.835 -10.593 -6.579 1.00 0.00 ? 22 ILE A H 6 ATOM 3123 H HA . ILE A 1 22 ? -2.825 -13.033 -8.206 1.00 0.00 ? 22 ILE A HA 6 ATOM 3124 H HB . ILE A 1 22 ? -4.750 -10.660 -8.134 1.00 0.00 ? 22 ILE A HB 6 ATOM 3125 H HG12 . ILE A 1 22 ? -4.799 -13.322 -6.625 1.00 0.00 ? 22 ILE A HG12 6 ATOM 3126 H HG13 . ILE A 1 22 ? -4.623 -11.709 -5.926 1.00 0.00 ? 22 ILE A HG13 6 ATOM 3127 H HG21 . ILE A 1 22 ? -6.348 -12.187 -9.222 1.00 0.00 ? 22 ILE A HG21 6 ATOM 3128 H HG22 . ILE A 1 22 ? -4.922 -11.992 -10.216 1.00 0.00 ? 22 ILE A HG22 6 ATOM 3129 H HG23 . ILE A 1 22 ? -5.118 -13.474 -9.251 1.00 0.00 ? 22 ILE A HG23 6 ATOM 3130 H HD11 . ILE A 1 22 ? -7.123 -12.875 -7.185 1.00 0.00 ? 22 ILE A HD11 6 ATOM 3131 H HD12 . ILE A 1 22 ? -6.848 -12.399 -5.504 1.00 0.00 ? 22 ILE A HD12 6 ATOM 3132 H HD13 . ILE A 1 22 ? -6.938 -11.152 -6.767 1.00 0.00 ? 22 ILE A HD13 6 ATOM 3133 N N . THR A 1 23 ? -2.235 -10.057 -9.532 1.00 0.00 ? 23 THR A N 6 ATOM 3134 C CA . THR A 1 23 ? -1.893 -9.263 -10.730 1.00 0.00 ? 23 THR A CA 6 ATOM 3135 C C . THR A 1 23 ? -0.457 -8.737 -10.805 1.00 0.00 ? 23 THR A C 6 ATOM 3136 O O . THR A 1 23 ? -0.042 -8.217 -11.844 1.00 0.00 ? 23 THR A O 6 ATOM 3137 C CB . THR A 1 23 ? -2.906 -8.126 -10.951 1.00 0.00 ? 23 THR A CB 6 ATOM 3138 O OG1 . THR A 1 23 ? -2.615 -7.063 -10.076 1.00 0.00 ? 23 THR A OG1 6 ATOM 3139 C CG2 . THR A 1 23 ? -4.367 -8.503 -10.699 1.00 0.00 ? 23 THR A CG2 6 ATOM 3140 H H . THR A 1 23 ? -2.467 -9.539 -8.690 1.00 0.00 ? 23 THR A H 6 ATOM 3141 H HA . THR A 1 23 ? -1.999 -9.914 -11.597 1.00 0.00 ? 23 THR A HA 6 ATOM 3142 H HB . THR A 1 23 ? -2.812 -7.768 -11.976 1.00 0.00 ? 23 THR A HB 6 ATOM 3143 H HG1 . THR A 1 23 ? -3.465 -6.654 -9.871 1.00 0.00 ? 23 THR A HG1 6 ATOM 3144 H HG21 . THR A 1 23 ? -4.539 -8.697 -9.642 1.00 0.00 ? 23 THR A HG21 6 ATOM 3145 H HG22 . THR A 1 23 ? -5.011 -7.686 -11.020 1.00 0.00 ? 23 THR A HG22 6 ATOM 3146 H HG23 . THR A 1 23 ? -4.616 -9.394 -11.276 1.00 0.00 ? 23 THR A HG23 6 ATOM 3147 N N . ASN A 1 24 ? 0.308 -8.871 -9.717 1.00 0.00 ? 24 ASN A N 6 ATOM 3148 C CA . ASN A 1 24 ? 1.647 -8.302 -9.512 1.00 0.00 ? 24 ASN A CA 6 ATOM 3149 C C . ASN A 1 24 ? 1.719 -6.756 -9.575 1.00 0.00 ? 24 ASN A C 6 ATOM 3150 O O . ASN A 1 24 ? 2.815 -6.191 -9.640 1.00 0.00 ? 24 ASN A O 6 ATOM 3151 C CB . ASN A 1 24 ? 2.692 -9.023 -10.390 1.00 0.00 ? 24 ASN A CB 6 ATOM 3152 C CG . ASN A 1 24 ? 2.740 -10.522 -10.135 1.00 0.00 ? 24 ASN A CG 6 ATOM 3153 O OD1 . ASN A 1 24 ? 3.048 -10.984 -9.044 1.00 0.00 ? 24 ASN A OD1 6 ATOM 3154 N ND2 . ASN A 1 24 ? 2.484 -11.333 -11.138 1.00 0.00 ? 24 ASN A ND2 6 ATOM 3155 H H . ASN A 1 24 ? -0.121 -9.295 -8.904 1.00 0.00 ? 24 ASN A H 6 ATOM 3156 H HA . ASN A 1 24 ? 1.908 -8.532 -8.478 1.00 0.00 ? 24 ASN A HA 6 ATOM 3157 H HB2 . ASN A 1 24 ? 2.481 -8.833 -11.444 1.00 0.00 ? 24 ASN A HB2 6 ATOM 3158 H HB3 . ASN A 1 24 ? 3.684 -8.628 -10.163 1.00 0.00 ? 24 ASN A HB3 6 ATOM 3159 H HD21 . ASN A 1 24 ? 2.530 -12.329 -10.972 1.00 0.00 ? 24 ASN A HD21 6 ATOM 3160 H HD22 . ASN A 1 24 ? 2.244 -10.955 -12.045 1.00 0.00 ? 24 ASN A HD22 6 ATOM 3161 N N . ALA A 1 25 ? 0.576 -6.057 -9.541 1.00 0.00 ? 25 ALA A N 6 ATOM 3162 C CA . ALA A 1 25 ? 0.524 -4.597 -9.423 1.00 0.00 ? 25 ALA A CA 6 ATOM 3163 C C . ALA A 1 25 ? 1.016 -4.106 -8.043 1.00 0.00 ? 25 ALA A C 6 ATOM 3164 O O . ALA A 1 25 ? 0.933 -4.826 -7.045 1.00 0.00 ? 25 ALA A O 6 ATOM 3165 C CB . ALA A 1 25 ? -0.909 -4.132 -9.712 1.00 0.00 ? 25 ALA A CB 6 ATOM 3166 H H . ALA A 1 25 ? -0.301 -6.563 -9.520 1.00 0.00 ? 25 ALA A H 6 ATOM 3167 H HA . ALA A 1 25 ? 1.177 -4.165 -10.183 1.00 0.00 ? 25 ALA A HA 6 ATOM 3168 H HB1 . ALA A 1 25 ? -1.221 -4.483 -10.696 1.00 0.00 ? 25 ALA A HB1 6 ATOM 3169 H HB2 . ALA A 1 25 ? -1.589 -4.525 -8.957 1.00 0.00 ? 25 ALA A HB2 6 ATOM 3170 H HB3 . ALA A 1 25 ? -0.952 -3.042 -9.699 1.00 0.00 ? 25 ALA A HB3 6 ATOM 3171 N N . SER A 1 26 ? 1.497 -2.861 -7.971 1.00 0.00 ? 26 SER A N 6 ATOM 3172 C CA . SER A 1 26 ? 1.983 -2.219 -6.737 1.00 0.00 ? 26 SER A CA 6 ATOM 3173 C C . SER A 1 26 ? 1.602 -0.732 -6.667 1.00 0.00 ? 26 SER A C 6 ATOM 3174 O O . SER A 1 26 ? 1.478 -0.062 -7.698 1.00 0.00 ? 26 SER A O 6 ATOM 3175 C CB . SER A 1 26 ? 3.500 -2.400 -6.577 1.00 0.00 ? 26 SER A CB 6 ATOM 3176 O OG . SER A 1 26 ? 4.220 -1.802 -7.643 1.00 0.00 ? 26 SER A OG 6 ATOM 3177 H H . SER A 1 26 ? 1.543 -2.314 -8.820 1.00 0.00 ? 26 SER A H 6 ATOM 3178 H HA . SER A 1 26 ? 1.522 -2.723 -5.891 1.00 0.00 ? 26 SER A HA 6 ATOM 3179 H HB2 . SER A 1 26 ? 3.814 -1.955 -5.631 1.00 0.00 ? 26 SER A HB2 6 ATOM 3180 H HB3 . SER A 1 26 ? 3.729 -3.465 -6.543 1.00 0.00 ? 26 SER A HB3 6 ATOM 3181 H HG . SER A 1 26 ? 5.161 -1.992 -7.513 1.00 0.00 ? 26 SER A HG 6 ATOM 3182 N N . GLN A 1 27 ? 1.414 -0.208 -5.451 1.00 0.00 ? 27 GLN A N 6 ATOM 3183 C CA . GLN A 1 27 ? 1.078 1.196 -5.177 1.00 0.00 ? 27 GLN A CA 6 ATOM 3184 C C . GLN A 1 27 ? 1.677 1.725 -3.866 1.00 0.00 ? 27 GLN A C 6 ATOM 3185 O O . GLN A 1 27 ? 1.666 1.037 -2.845 1.00 0.00 ? 27 GLN A O 6 ATOM 3186 C CB . GLN A 1 27 ? -0.448 1.398 -5.088 1.00 0.00 ? 27 GLN A CB 6 ATOM 3187 C CG . GLN A 1 27 ? -1.177 1.396 -6.437 1.00 0.00 ? 27 GLN A CG 6 ATOM 3188 C CD . GLN A 1 27 ? -2.672 1.728 -6.354 1.00 0.00 ? 27 GLN A CD 6 ATOM 3189 O OE1 . GLN A 1 27 ? -3.409 1.565 -7.319 1.00 0.00 ? 27 GLN A OE1 6 ATOM 3190 N NE2 . GLN A 1 27 ? -3.187 2.280 -5.272 1.00 0.00 ? 27 GLN A NE2 6 ATOM 3191 H H . GLN A 1 27 ? 1.509 -0.825 -4.649 1.00 0.00 ? 27 GLN A H 6 ATOM 3192 H HA . GLN A 1 27 ? 1.463 1.821 -5.985 1.00 0.00 ? 27 GLN A HA 6 ATOM 3193 H HB2 . GLN A 1 27 ? -0.881 0.638 -4.434 1.00 0.00 ? 27 GLN A HB2 6 ATOM 3194 H HB3 . GLN A 1 27 ? -0.617 2.376 -4.638 1.00 0.00 ? 27 GLN A HB3 6 ATOM 3195 H HG2 . GLN A 1 27 ? -0.705 2.145 -7.072 1.00 0.00 ? 27 GLN A HG2 6 ATOM 3196 H HG3 . GLN A 1 27 ? -1.070 0.416 -6.899 1.00 0.00 ? 27 GLN A HG3 6 ATOM 3197 H HE21 . GLN A 1 27 ? -2.625 2.417 -4.433 1.00 0.00 ? 27 GLN A HE21 6 ATOM 3198 H HE22 . GLN A 1 27 ? -4.161 2.534 -5.295 1.00 0.00 ? 27 GLN A HE22 6 ATOM 3199 N N . PHE A 1 28 ? 2.133 2.980 -3.876 1.00 0.00 ? 28 PHE A N 6 ATOM 3200 C CA . PHE A 1 28 ? 2.523 3.709 -2.661 1.00 0.00 ? 28 PHE A CA 6 ATOM 3201 C C . PHE A 1 28 ? 1.356 4.296 -1.844 1.00 0.00 ? 28 PHE A C 6 ATOM 3202 O O . PHE A 1 28 ? 1.509 4.626 -0.666 1.00 0.00 ? 28 PHE A O 6 ATOM 3203 C CB . PHE A 1 28 ? 3.642 4.721 -2.950 1.00 0.00 ? 28 PHE A CB 6 ATOM 3204 C CG . PHE A 1 28 ? 5.018 4.099 -3.103 1.00 0.00 ? 28 PHE A CG 6 ATOM 3205 C CD1 . PHE A 1 28 ? 5.806 3.840 -1.964 1.00 0.00 ? 28 PHE A CD1 6 ATOM 3206 C CD2 . PHE A 1 28 ? 5.519 3.788 -4.382 1.00 0.00 ? 28 PHE A CD2 6 ATOM 3207 C CE1 . PHE A 1 28 ? 7.091 3.286 -2.104 1.00 0.00 ? 28 PHE A CE1 6 ATOM 3208 C CE2 . PHE A 1 28 ? 6.803 3.229 -4.521 1.00 0.00 ? 28 PHE A CE2 6 ATOM 3209 C CZ . PHE A 1 28 ? 7.591 2.980 -3.384 1.00 0.00 ? 28 PHE A CZ 6 ATOM 3210 H H . PHE A 1 28 ? 2.145 3.483 -4.752 1.00 0.00 ? 28 PHE A H 6 ATOM 3211 H HA . PHE A 1 28 ? 2.968 2.979 -1.983 1.00 0.00 ? 28 PHE A HA 6 ATOM 3212 H HB2 . PHE A 1 28 ? 3.390 5.289 -3.851 1.00 0.00 ? 28 PHE A HB2 6 ATOM 3213 H HB3 . PHE A 1 28 ? 3.695 5.427 -2.117 1.00 0.00 ? 28 PHE A HB3 6 ATOM 3214 H HD1 . PHE A 1 28 ? 5.427 4.072 -0.977 1.00 0.00 ? 28 PHE A HD1 6 ATOM 3215 H HD2 . PHE A 1 28 ? 4.919 3.982 -5.261 1.00 0.00 ? 28 PHE A HD2 6 ATOM 3216 H HE1 . PHE A 1 28 ? 7.696 3.094 -1.228 1.00 0.00 ? 28 PHE A HE1 6 ATOM 3217 H HE2 . PHE A 1 28 ? 7.185 2.991 -5.506 1.00 0.00 ? 28 PHE A HE2 6 ATOM 3218 H HZ . PHE A 1 28 ? 8.578 2.551 -3.493 1.00 0.00 ? 28 PHE A HZ 6 ATOM 3219 N N . GLU A 1 29 ? 0.180 4.408 -2.473 1.00 0.00 ? 29 GLU A N 6 ATOM 3220 C CA . GLU A 1 29 ? -1.085 4.868 -1.879 1.00 0.00 ? 29 GLU A CA 6 ATOM 3221 C C . GLU A 1 29 ? -2.101 3.716 -1.742 1.00 0.00 ? 29 GLU A C 6 ATOM 3222 O O . GLU A 1 29 ? -2.132 2.799 -2.572 1.00 0.00 ? 29 GLU A O 6 ATOM 3223 C CB . GLU A 1 29 ? -1.630 6.039 -2.720 1.00 0.00 ? 29 GLU A CB 6 ATOM 3224 C CG . GLU A 1 29 ? -2.915 6.694 -2.191 1.00 0.00 ? 29 GLU A CG 6 ATOM 3225 C CD . GLU A 1 29 ? -2.736 7.270 -0.774 1.00 0.00 ? 29 GLU A CD 6 ATOM 3226 O OE1 . GLU A 1 29 ? -2.912 6.514 0.213 1.00 0.00 ? 29 GLU A OE1 6 ATOM 3227 O OE2 . GLU A 1 29 ? -2.410 8.476 -0.640 1.00 0.00 ? 29 GLU A OE2 6 ATOM 3228 H H . GLU A 1 29 ? 0.138 4.085 -3.430 1.00 0.00 ? 29 GLU A H 6 ATOM 3229 H HA . GLU A 1 29 ? -0.883 5.243 -0.874 1.00 0.00 ? 29 GLU A HA 6 ATOM 3230 H HB2 . GLU A 1 29 ? -0.859 6.809 -2.784 1.00 0.00 ? 29 GLU A HB2 6 ATOM 3231 H HB3 . GLU A 1 29 ? -1.823 5.680 -3.732 1.00 0.00 ? 29 GLU A HB3 6 ATOM 3232 H HG2 . GLU A 1 29 ? -3.200 7.495 -2.879 1.00 0.00 ? 29 GLU A HG2 6 ATOM 3233 H HG3 . GLU A 1 29 ? -3.728 5.964 -2.200 1.00 0.00 ? 29 GLU A HG3 6 ATOM 3234 N N . ARG A 1 30 ? -2.947 3.767 -0.707 1.00 0.00 ? 30 ARG A N 6 ATOM 3235 C CA . ARG A 1 30 ? -3.925 2.726 -0.353 1.00 0.00 ? 30 ARG A CA 6 ATOM 3236 C C . ARG A 1 30 ? -4.986 2.519 -1.465 1.00 0.00 ? 30 ARG A C 6 ATOM 3237 O O . ARG A 1 30 ? -5.669 3.485 -1.821 1.00 0.00 ? 30 ARG A O 6 ATOM 3238 C CB . ARG A 1 30 ? -4.510 3.083 1.029 1.00 0.00 ? 30 ARG A CB 6 ATOM 3239 C CG . ARG A 1 30 ? -5.569 2.097 1.545 1.00 0.00 ? 30 ARG A CG 6 ATOM 3240 C CD . ARG A 1 30 ? -6.998 2.572 1.239 1.00 0.00 ? 30 ARG A CD 6 ATOM 3241 N NE . ARG A 1 30 ? -7.849 1.469 0.776 1.00 0.00 ? 30 ARG A NE 6 ATOM 3242 C CZ . ARG A 1 30 ? -8.489 0.564 1.485 1.00 0.00 ? 30 ARG A CZ 6 ATOM 3243 N NH1 . ARG A 1 30 ? -9.197 -0.333 0.873 1.00 0.00 ? 30 ARG A NH1 6 ATOM 3244 N NH2 . ARG A 1 30 ? -8.437 0.500 2.784 1.00 0.00 ? 30 ARG A NH2 6 ATOM 3245 H H . ARG A 1 30 ? -2.917 4.605 -0.127 1.00 0.00 ? 30 ARG A H 6 ATOM 3246 H HA . ARG A 1 30 ? -3.373 1.799 -0.230 1.00 0.00 ? 30 ARG A HA 6 ATOM 3247 H HB2 . ARG A 1 30 ? -3.687 3.093 1.743 1.00 0.00 ? 30 ARG A HB2 6 ATOM 3248 H HB3 . ARG A 1 30 ? -4.926 4.092 1.008 1.00 0.00 ? 30 ARG A HB3 6 ATOM 3249 H HG2 . ARG A 1 30 ? -5.388 1.112 1.106 1.00 0.00 ? 30 ARG A HG2 6 ATOM 3250 H HG3 . ARG A 1 30 ? -5.470 2.010 2.629 1.00 0.00 ? 30 ARG A HG3 6 ATOM 3251 H HD2 . ARG A 1 30 ? -7.425 3.042 2.127 1.00 0.00 ? 30 ARG A HD2 6 ATOM 3252 H HD3 . ARG A 1 30 ? -6.975 3.326 0.452 1.00 0.00 ? 30 ARG A HD3 6 ATOM 3253 H HE . ARG A 1 30 ? -7.933 1.357 -0.229 1.00 0.00 ? 30 ARG A HE 6 ATOM 3254 H HH11 . ARG A 1 30 ? -9.631 -1.066 1.417 1.00 0.00 ? 30 ARG A HH11 6 ATOM 3255 H HH12 . ARG A 1 30 ? -9.208 -0.332 -0.137 1.00 0.00 ? 30 ARG A HH12 6 ATOM 3256 H HH21 . ARG A 1 30 ? -8.905 -0.257 3.259 1.00 0.00 ? 30 ARG A HH21 6 ATOM 3257 H HH22 . ARG A 1 30 ? -7.895 1.176 3.295 1.00 0.00 ? 30 ARG A HH22 6 ATOM 3258 N N . PRO A 1 31 ? -5.137 1.302 -2.033 1.00 0.00 ? 31 PRO A N 6 ATOM 3259 C CA . PRO A 1 31 ? -6.006 1.032 -3.185 1.00 0.00 ? 31 PRO A CA 6 ATOM 3260 C C . PRO A 1 31 ? -7.483 0.868 -2.793 1.00 0.00 ? 31 PRO A C 6 ATOM 3261 O O . PRO A 1 31 ? -7.802 0.282 -1.756 1.00 0.00 ? 31 PRO A O 6 ATOM 3262 C CB . PRO A 1 31 ? -5.448 -0.250 -3.817 1.00 0.00 ? 31 PRO A CB 6 ATOM 3263 C CG . PRO A 1 31 ? -4.898 -1.007 -2.611 1.00 0.00 ? 31 PRO A CG 6 ATOM 3264 C CD . PRO A 1 31 ? -4.367 0.109 -1.715 1.00 0.00 ? 31 PRO A CD 6 ATOM 3265 H HA . PRO A 1 31 ? -5.925 1.844 -3.908 1.00 0.00 ? 31 PRO A HA 6 ATOM 3266 H HB2 . PRO A 1 31 ? -6.210 -0.825 -4.343 1.00 0.00 ? 31 PRO A HB2 6 ATOM 3267 H HB3 . PRO A 1 31 ? -4.626 -0.004 -4.491 1.00 0.00 ? 31 PRO A HB3 6 ATOM 3268 H HG2 . PRO A 1 31 ? -5.712 -1.531 -2.111 1.00 0.00 ? 31 PRO A HG2 6 ATOM 3269 H HG3 . PRO A 1 31 ? -4.105 -1.698 -2.889 1.00 0.00 ? 31 PRO A HG3 6 ATOM 3270 H HD2 . PRO A 1 31 ? -4.477 -0.166 -0.665 1.00 0.00 ? 31 PRO A HD2 6 ATOM 3271 H HD3 . PRO A 1 31 ? -3.320 0.294 -1.950 1.00 0.00 ? 31 PRO A HD3 6 ATOM 3272 N N . SER A 1 32 ? -8.399 1.343 -3.643 1.00 0.00 ? 32 SER A N 6 ATOM 3273 C CA . SER A 1 32 ? -9.852 1.371 -3.369 1.00 0.00 ? 32 SER A CA 6 ATOM 3274 C C . SER A 1 32 ? -10.740 0.965 -4.562 1.00 0.00 ? 32 SER A C 6 ATOM 3275 O O . SER A 1 32 ? -11.959 1.158 -4.527 1.00 0.00 ? 32 SER A O 6 ATOM 3276 C CB . SER A 1 32 ? -10.254 2.746 -2.812 1.00 0.00 ? 32 SER A CB 6 ATOM 3277 O OG . SER A 1 32 ? -9.645 2.974 -1.549 1.00 0.00 ? 32 SER A OG 6 ATOM 3278 H H . SER A 1 32 ? -8.067 1.829 -4.466 1.00 0.00 ? 32 SER A H 6 ATOM 3279 H HA . SER A 1 32 ? -10.073 0.638 -2.592 1.00 0.00 ? 32 SER A HA 6 ATOM 3280 H HB2 . SER A 1 32 ? -9.956 3.525 -3.515 1.00 0.00 ? 32 SER A HB2 6 ATOM 3281 H HB3 . SER A 1 32 ? -11.338 2.786 -2.682 1.00 0.00 ? 32 SER A HB3 6 ATOM 3282 H HG . SER A 1 32 ? -9.912 3.854 -1.246 1.00 0.00 ? 32 SER A HG 6 ATOM 3283 N N . GLY A 1 33 ? -10.149 0.395 -5.623 1.00 0.00 ? 33 GLY A N 6 ATOM 3284 C CA . GLY A 1 33 ? -10.846 -0.057 -6.839 1.00 0.00 ? 33 GLY A CA 6 ATOM 3285 C C . GLY A 1 33 ? -9.898 -0.616 -7.897 1.00 0.00 ? 33 GLY A C 6 ATOM 3286 O O . GLY A 1 33 ? -9.775 -1.856 -7.986 1.00 0.00 ? 33 GLY A O 6 ATOM 3287 O OXT . GLY A 1 33 ? -9.285 0.194 -8.626 1.00 0.00 ? 33 GLY A OXT 6 ATOM 3288 H H . GLY A 1 33 ? -9.150 0.253 -5.579 1.00 0.00 ? 33 GLY A H 6 ATOM 3289 H HA2 . GLY A 1 33 ? -11.565 -0.834 -6.580 1.00 0.00 ? 33 GLY A HA2 6 ATOM 3290 H HA3 . GLY A 1 33 ? -11.393 0.775 -7.281 1.00 0.00 ? 33 GLY A HA3 6 HETATM 3291 C C1 . GAL B 2 . ? 12.742 2.073 0.166 1.00 0.00 ? 101 GAL A C1 6 HETATM 3292 C C2 . GAL B 2 . ? 12.470 3.535 -0.259 1.00 0.00 ? 101 GAL A C2 6 HETATM 3293 C C3 . GAL B 2 . ? 11.543 3.559 -1.488 1.00 0.00 ? 101 GAL A C3 6 HETATM 3294 C C4 . GAL B 2 . ? 12.114 2.713 -2.639 1.00 0.00 ? 101 GAL A C4 6 HETATM 3295 C C5 . GAL B 2 . ? 12.388 1.274 -2.156 1.00 0.00 ? 101 GAL A C5 6 HETATM 3296 C C6 . GAL B 2 . ? 12.981 0.339 -3.224 1.00 0.00 ? 101 GAL A C6 6 HETATM 3297 O O2 . GAL B 2 . ? 11.829 4.265 0.821 1.00 0.00 ? 101 GAL A O2 6 HETATM 3298 O O3 . GAL B 2 . ? 11.375 4.930 -1.947 1.00 0.00 ? 101 GAL A O3 6 HETATM 3299 O O4 . GAL B 2 . ? 13.348 3.322 -3.097 1.00 0.00 ? 101 GAL A O4 6 HETATM 3300 O O5 . GAL B 2 . ? 13.273 1.303 -0.965 1.00 0.00 ? 101 GAL A O5 6 HETATM 3301 O O6 . GAL B 2 . ? 14.307 0.779 -3.578 1.00 0.00 ? 101 GAL A O6 6 HETATM 3302 H H1 . GAL B 2 . ? 11.814 1.607 0.500 1.00 0.00 ? 101 GAL A H1 6 HETATM 3303 H H2 . GAL B 2 . ? 13.415 4.025 -0.499 1.00 0.00 ? 101 GAL A H2 6 HETATM 3304 H H3 . GAL B 2 . ? 10.566 3.164 -1.206 1.00 0.00 ? 101 GAL A H3 6 HETATM 3305 H H4 . GAL B 2 . ? 11.403 2.692 -3.465 1.00 0.00 ? 101 GAL A H4 6 HETATM 3306 H H5 . GAL B 2 . ? 11.433 0.850 -1.853 1.00 0.00 ? 101 GAL A H5 6 HETATM 3307 H H61 . GAL B 2 . ? 13.034 -0.682 -2.842 1.00 0.00 ? 101 GAL A H61 6 HETATM 3308 H H62 . GAL B 2 . ? 12.347 0.348 -4.114 1.00 0.00 ? 101 GAL A H62 6 HETATM 3309 H HO2 . GAL B 2 . ? 11.645 5.152 0.471 1.00 0.00 ? 101 GAL A HO2 6 HETATM 3310 H HO3 . GAL B 2 . ? 10.630 4.971 -2.566 1.00 0.00 ? 101 GAL A HO3 6 HETATM 3311 H HO4 . GAL B 2 . ? 13.178 4.268 -3.238 1.00 0.00 ? 101 GAL A HO4 6 HETATM 3312 H HO6 . GAL B 2 . ? 14.277 1.752 -3.507 1.00 0.00 ? 101 GAL A HO6 6 ATOM 3313 N N . LYS A 1 1 ? -10.738 -4.073 4.876 1.00 0.00 ? 1 LYS A N 7 ATOM 3314 C CA . LYS A 1 1 ? -9.269 -4.188 4.667 1.00 0.00 ? 1 LYS A CA 7 ATOM 3315 C C . LYS A 1 1 ? -8.860 -3.575 3.321 1.00 0.00 ? 1 LYS A C 7 ATOM 3316 O O . LYS A 1 1 ? -8.648 -2.362 3.249 1.00 0.00 ? 1 LYS A O 7 ATOM 3317 C CB . LYS A 1 1 ? -8.775 -5.637 4.919 1.00 0.00 ? 1 LYS A CB 7 ATOM 3318 C CG . LYS A 1 1 ? -7.264 -5.865 4.710 1.00 0.00 ? 1 LYS A CG 7 ATOM 3319 C CD . LYS A 1 1 ? -6.872 -7.315 5.044 1.00 0.00 ? 1 LYS A CD 7 ATOM 3320 C CE . LYS A 1 1 ? -5.507 -7.708 4.460 1.00 0.00 ? 1 LYS A CE 7 ATOM 3321 N NZ . LYS A 1 1 ? -4.379 -6.945 5.052 1.00 0.00 ? 1 LYS A NZ 7 ATOM 3322 H H1 . LYS A 1 1 ? -10.986 -4.393 5.801 1.00 0.00 ? 1 LYS A H1 7 ATOM 3323 H H2 . LYS A 1 1 ? -11.243 -4.628 4.202 1.00 0.00 ? 1 LYS A H2 7 ATOM 3324 H H3 . LYS A 1 1 ? -11.035 -3.111 4.788 1.00 0.00 ? 1 LYS A H3 7 ATOM 3325 H HA . LYS A 1 1 ? -8.786 -3.562 5.419 1.00 0.00 ? 1 LYS A HA 7 ATOM 3326 H HB2 . LYS A 1 1 ? -9.019 -5.904 5.949 1.00 0.00 ? 1 LYS A HB2 7 ATOM 3327 H HB3 . LYS A 1 1 ? -9.322 -6.318 4.264 1.00 0.00 ? 1 LYS A HB3 7 ATOM 3328 H HG2 . LYS A 1 1 ? -7.006 -5.681 3.671 1.00 0.00 ? 1 LYS A HG2 7 ATOM 3329 H HG3 . LYS A 1 1 ? -6.699 -5.179 5.342 1.00 0.00 ? 1 LYS A HG3 7 ATOM 3330 H HD2 . LYS A 1 1 ? -6.869 -7.457 6.127 1.00 0.00 ? 1 LYS A HD2 7 ATOM 3331 H HD3 . LYS A 1 1 ? -7.615 -7.991 4.617 1.00 0.00 ? 1 LYS A HD3 7 ATOM 3332 H HE2 . LYS A 1 1 ? -5.349 -8.777 4.630 1.00 0.00 ? 1 LYS A HE2 7 ATOM 3333 H HE3 . LYS A 1 1 ? -5.530 -7.550 3.378 1.00 0.00 ? 1 LYS A HE3 7 ATOM 3334 H HZ1 . LYS A 1 1 ? -3.508 -7.204 4.585 1.00 0.00 ? 1 LYS A HZ1 7 ATOM 3335 H HZ2 . LYS A 1 1 ? -4.499 -5.951 4.939 1.00 0.00 ? 1 LYS A HZ2 7 ATOM 3336 H HZ3 . LYS A 1 1 ? -4.273 -7.149 6.036 1.00 0.00 ? 1 LYS A HZ3 7 ATOM 3337 N N . LEU A 1 2 ? -8.773 -4.370 2.247 1.00 0.00 ? 2 LEU A N 7 ATOM 3338 C CA . LEU A 1 2 ? -8.221 -4.009 0.930 1.00 0.00 ? 2 LEU A CA 7 ATOM 3339 C C . LEU A 1 2 ? -9.055 -4.626 -0.222 1.00 0.00 ? 2 LEU A C 7 ATOM 3340 O O . LEU A 1 2 ? -9.800 -5.583 0.023 1.00 0.00 ? 2 LEU A O 7 ATOM 3341 C CB . LEU A 1 2 ? -6.751 -4.485 0.861 1.00 0.00 ? 2 LEU A CB 7 ATOM 3342 C CG . LEU A 1 2 ? -5.755 -3.707 1.743 1.00 0.00 ? 2 LEU A CG 7 ATOM 3343 C CD1 . LEU A 1 2 ? -4.411 -4.431 1.788 1.00 0.00 ? 2 LEU A CD1 7 ATOM 3344 C CD2 . LEU A 1 2 ? -5.506 -2.304 1.199 1.00 0.00 ? 2 LEU A CD2 7 ATOM 3345 H H . LEU A 1 2 ? -9.022 -5.341 2.362 1.00 0.00 ? 2 LEU A H 7 ATOM 3346 H HA . LEU A 1 2 ? -8.253 -2.931 0.816 1.00 0.00 ? 2 LEU A HA 7 ATOM 3347 H HB2 . LEU A 1 2 ? -6.721 -5.542 1.137 1.00 0.00 ? 2 LEU A HB2 7 ATOM 3348 H HB3 . LEU A 1 2 ? -6.406 -4.394 -0.166 1.00 0.00 ? 2 LEU A HB3 7 ATOM 3349 H HG . LEU A 1 2 ? -6.132 -3.633 2.761 1.00 0.00 ? 2 LEU A HG 7 ATOM 3350 H HD11 . LEU A 1 2 ? -3.723 -3.887 2.434 1.00 0.00 ? 2 LEU A HD11 7 ATOM 3351 H HD12 . LEU A 1 2 ? -4.551 -5.436 2.184 1.00 0.00 ? 2 LEU A HD12 7 ATOM 3352 H HD13 . LEU A 1 2 ? -3.989 -4.494 0.785 1.00 0.00 ? 2 LEU A HD13 7 ATOM 3353 H HD21 . LEU A 1 2 ? -5.049 -2.369 0.212 1.00 0.00 ? 2 LEU A HD21 7 ATOM 3354 H HD22 . LEU A 1 2 ? -6.445 -1.759 1.135 1.00 0.00 ? 2 LEU A HD22 7 ATOM 3355 H HD23 . LEU A 1 2 ? -4.842 -1.765 1.870 1.00 0.00 ? 2 LEU A HD23 7 ATOM 3356 N N . PRO A 1 3 ? -8.952 -4.116 -1.470 1.00 0.00 ? 3 PRO A N 7 ATOM 3357 C CA . PRO A 1 3 ? -9.660 -4.671 -2.630 1.00 0.00 ? 3 PRO A CA 7 ATOM 3358 C C . PRO A 1 3 ? -9.128 -6.065 -3.040 1.00 0.00 ? 3 PRO A C 7 ATOM 3359 O O . PRO A 1 3 ? -8.078 -6.492 -2.543 1.00 0.00 ? 3 PRO A O 7 ATOM 3360 C CB . PRO A 1 3 ? -9.506 -3.639 -3.761 1.00 0.00 ? 3 PRO A CB 7 ATOM 3361 C CG . PRO A 1 3 ? -8.918 -2.399 -3.093 1.00 0.00 ? 3 PRO A CG 7 ATOM 3362 C CD . PRO A 1 3 ? -8.175 -2.960 -1.889 1.00 0.00 ? 3 PRO A CD 7 ATOM 3363 H HA . PRO A 1 3 ? -10.716 -4.754 -2.375 1.00 0.00 ? 3 PRO A HA 7 ATOM 3364 H HB2 . PRO A 1 3 ? -8.814 -4.001 -4.522 1.00 0.00 ? 3 PRO A HB2 7 ATOM 3365 H HB3 . PRO A 1 3 ? -10.471 -3.409 -4.218 1.00 0.00 ? 3 PRO A HB3 7 ATOM 3366 H HG2 . PRO A 1 3 ? -8.242 -1.869 -3.761 1.00 0.00 ? 3 PRO A HG2 7 ATOM 3367 H HG3 . PRO A 1 3 ? -9.724 -1.746 -2.753 1.00 0.00 ? 3 PRO A HG3 7 ATOM 3368 H HD2 . PRO A 1 3 ? -7.182 -3.287 -2.196 1.00 0.00 ? 3 PRO A HD2 7 ATOM 3369 H HD3 . PRO A 1 3 ? -8.098 -2.196 -1.117 1.00 0.00 ? 3 PRO A HD3 7 ATOM 3370 N N . PRO A 1 4 ? -9.802 -6.786 -3.961 1.00 0.00 ? 4 PRO A N 7 ATOM 3371 C CA . PRO A 1 4 ? -9.436 -8.153 -4.347 1.00 0.00 ? 4 PRO A CA 7 ATOM 3372 C C . PRO A 1 4 ? -7.966 -8.320 -4.770 1.00 0.00 ? 4 PRO A C 7 ATOM 3373 O O . PRO A 1 4 ? -7.479 -7.657 -5.690 1.00 0.00 ? 4 PRO A O 7 ATOM 3374 C CB . PRO A 1 4 ? -10.409 -8.540 -5.467 1.00 0.00 ? 4 PRO A CB 7 ATOM 3375 C CG . PRO A 1 4 ? -11.652 -7.716 -5.133 1.00 0.00 ? 4 PRO A CG 7 ATOM 3376 C CD . PRO A 1 4 ? -11.056 -6.413 -4.602 1.00 0.00 ? 4 PRO A CD 7 ATOM 3377 H HA . PRO A 1 4 ? -9.633 -8.799 -3.490 1.00 0.00 ? 4 PRO A HA 7 ATOM 3378 H HB2 . PRO A 1 4 ? -10.020 -8.225 -6.437 1.00 0.00 ? 4 PRO A HB2 7 ATOM 3379 H HB3 . PRO A 1 4 ? -10.622 -9.610 -5.465 1.00 0.00 ? 4 PRO A HB3 7 ATOM 3380 H HG2 . PRO A 1 4 ? -12.275 -7.548 -6.012 1.00 0.00 ? 4 PRO A HG2 7 ATOM 3381 H HG3 . PRO A 1 4 ? -12.220 -8.210 -4.343 1.00 0.00 ? 4 PRO A HG3 7 ATOM 3382 H HD2 . PRO A 1 4 ? -10.850 -5.738 -5.435 1.00 0.00 ? 4 PRO A HD2 7 ATOM 3383 H HD3 . PRO A 1 4 ? -11.752 -5.951 -3.901 1.00 0.00 ? 4 PRO A HD3 7 ATOM 3384 N N . GLY A 1 5 ? -7.262 -9.226 -4.086 1.00 0.00 ? 5 GLY A N 7 ATOM 3385 C CA . GLY A 1 5 ? -5.856 -9.570 -4.331 1.00 0.00 ? 5 GLY A CA 7 ATOM 3386 C C . GLY A 1 5 ? -4.807 -8.668 -3.667 1.00 0.00 ? 5 GLY A C 7 ATOM 3387 O O . GLY A 1 5 ? -3.642 -9.064 -3.605 1.00 0.00 ? 5 GLY A O 7 ATOM 3388 H H . GLY A 1 5 ? -7.733 -9.718 -3.340 1.00 0.00 ? 5 GLY A H 7 ATOM 3389 H HA2 . GLY A 1 5 ? -5.685 -10.590 -3.983 1.00 0.00 ? 5 GLY A HA2 7 ATOM 3390 H HA3 . GLY A 1 5 ? -5.672 -9.530 -5.407 1.00 0.00 ? 5 GLY A HA3 7 ATOM 3391 N N . TRP A 1 6 ? -5.179 -7.492 -3.155 1.00 0.00 ? 6 TRP A N 7 ATOM 3392 C CA . TRP A 1 6 ? -4.252 -6.557 -2.501 1.00 0.00 ? 6 TRP A CA 7 ATOM 3393 C C . TRP A 1 6 ? -3.836 -6.963 -1.076 1.00 0.00 ? 6 TRP A C 7 ATOM 3394 O O . TRP A 1 6 ? -4.655 -7.436 -0.285 1.00 0.00 ? 6 TRP A O 7 ATOM 3395 C CB . TRP A 1 6 ? -4.826 -5.138 -2.510 1.00 0.00 ? 6 TRP A CB 7 ATOM 3396 C CG . TRP A 1 6 ? -4.902 -4.452 -3.838 1.00 0.00 ? 6 TRP A CG 7 ATOM 3397 C CD1 . TRP A 1 6 ? -5.951 -4.522 -4.686 1.00 0.00 ? 6 TRP A CD1 7 ATOM 3398 C CD2 . TRP A 1 6 ? -3.838 -3.793 -4.593 1.00 0.00 ? 6 TRP A CD2 7 ATOM 3399 N NE1 . TRP A 1 6 ? -5.669 -3.823 -5.842 1.00 0.00 ? 6 TRP A NE1 7 ATOM 3400 C CE2 . TRP A 1 6 ? -4.359 -3.405 -5.864 1.00 0.00 ? 6 TRP A CE2 7 ATOM 3401 C CE3 . TRP A 1 6 ? -2.490 -3.468 -4.327 1.00 0.00 ? 6 TRP A CE3 7 ATOM 3402 C CZ2 . TRP A 1 6 ? -3.580 -2.760 -6.833 1.00 0.00 ? 6 TRP A CZ2 7 ATOM 3403 C CZ3 . TRP A 1 6 ? -1.703 -2.797 -5.287 1.00 0.00 ? 6 TRP A CZ3 7 ATOM 3404 C CH2 . TRP A 1 6 ? -2.241 -2.449 -6.538 1.00 0.00 ? 6 TRP A CH2 7 ATOM 3405 H H . TRP A 1 6 ? -6.158 -7.238 -3.190 1.00 0.00 ? 6 TRP A H 7 ATOM 3406 H HA . TRP A 1 6 ? -3.340 -6.523 -3.094 1.00 0.00 ? 6 TRP A HA 7 ATOM 3407 H HB2 . TRP A 1 6 ? -5.830 -5.180 -2.092 1.00 0.00 ? 6 TRP A HB2 7 ATOM 3408 H HB3 . TRP A 1 6 ? -4.210 -4.513 -1.859 1.00 0.00 ? 6 TRP A HB3 7 ATOM 3409 H HD1 . TRP A 1 6 ? -6.885 -5.024 -4.471 1.00 0.00 ? 6 TRP A HD1 7 ATOM 3410 H HE1 . TRP A 1 6 ? -6.374 -3.603 -6.554 1.00 0.00 ? 6 TRP A HE1 7 ATOM 3411 H HE3 . TRP A 1 6 ? -2.072 -3.731 -3.367 1.00 0.00 ? 6 TRP A HE3 7 ATOM 3412 H HZ2 . TRP A 1 6 ? -4.014 -2.522 -7.793 1.00 0.00 ? 6 TRP A HZ2 7 ATOM 3413 H HZ3 . TRP A 1 6 ? -0.675 -2.545 -5.063 1.00 0.00 ? 6 TRP A HZ3 7 ATOM 3414 H HH2 . TRP A 1 6 ? -1.627 -1.942 -7.271 1.00 0.00 ? 6 TRP A HH2 7 ATOM 3415 N N . GLU A 1 7 ? -2.572 -6.715 -0.727 1.00 0.00 ? 7 GLU A N 7 ATOM 3416 C CA . GLU A 1 7 ? -1.990 -6.924 0.607 1.00 0.00 ? 7 GLU A CA 7 ATOM 3417 C C . GLU A 1 7 ? -0.851 -5.923 0.898 1.00 0.00 ? 7 GLU A C 7 ATOM 3418 O O . GLU A 1 7 ? -0.138 -5.494 -0.015 1.00 0.00 ? 7 GLU A O 7 ATOM 3419 C CB . GLU A 1 7 ? -1.540 -8.396 0.734 1.00 0.00 ? 7 GLU A CB 7 ATOM 3420 C CG . GLU A 1 7 ? -0.707 -8.816 1.961 1.00 0.00 ? 7 GLU A CG 7 ATOM 3421 C CD . GLU A 1 7 ? -1.327 -8.538 3.351 1.00 0.00 ? 7 GLU A CD 7 ATOM 3422 O OE1 . GLU A 1 7 ? -2.175 -7.625 3.501 1.00 0.00 ? 7 GLU A OE1 7 ATOM 3423 O OE2 . GLU A 1 7 ? -0.947 -9.233 4.324 1.00 0.00 ? 7 GLU A OE2 7 ATOM 3424 H H . GLU A 1 7 ? -1.934 -6.407 -1.454 1.00 0.00 ? 7 GLU A H 7 ATOM 3425 H HA . GLU A 1 7 ? -2.770 -6.745 1.344 1.00 0.00 ? 7 GLU A HA 7 ATOM 3426 H HB2 . GLU A 1 7 ? -2.428 -9.031 0.695 1.00 0.00 ? 7 GLU A HB2 7 ATOM 3427 H HB3 . GLU A 1 7 ? -0.942 -8.639 -0.146 1.00 0.00 ? 7 GLU A HB3 7 ATOM 3428 H HG2 . GLU A 1 7 ? -0.511 -9.887 1.871 1.00 0.00 ? 7 GLU A HG2 7 ATOM 3429 H HG3 . GLU A 1 7 ? 0.261 -8.318 1.902 1.00 0.00 ? 7 GLU A HG3 7 ATOM 3430 N N . LYS A 1 8 ? -0.670 -5.547 2.171 1.00 0.00 ? 8 LYS A N 7 ATOM 3431 C CA . LYS A 1 8 ? 0.438 -4.690 2.632 1.00 0.00 ? 8 LYS A CA 7 ATOM 3432 C C . LYS A 1 8 ? 1.794 -5.394 2.608 1.00 0.00 ? 8 LYS A C 7 ATOM 3433 O O . LYS A 1 8 ? 1.924 -6.550 3.022 1.00 0.00 ? 8 LYS A O 7 ATOM 3434 C CB . LYS A 1 8 ? 0.168 -4.117 4.033 1.00 0.00 ? 8 LYS A CB 7 ATOM 3435 C CG . LYS A 1 8 ? -0.727 -2.876 3.954 1.00 0.00 ? 8 LYS A CG 7 ATOM 3436 C CD . LYS A 1 8 ? -1.085 -2.306 5.335 1.00 0.00 ? 8 LYS A CD 7 ATOM 3437 C CE . LYS A 1 8 ? 0.140 -1.718 6.050 1.00 0.00 ? 8 LYS A CE 7 ATOM 3438 N NZ . LYS A 1 8 ? -0.222 -1.152 7.375 1.00 0.00 ? 8 LYS A NZ 7 ATOM 3439 H H . LYS A 1 8 ? -1.267 -5.980 2.870 1.00 0.00 ? 8 LYS A H 7 ATOM 3440 H HA . LYS A 1 8 ? 0.520 -3.849 1.939 1.00 0.00 ? 8 LYS A HA 7 ATOM 3441 H HB2 . LYS A 1 8 ? -0.294 -4.880 4.663 1.00 0.00 ? 8 LYS A HB2 7 ATOM 3442 H HB3 . LYS A 1 8 ? 1.118 -3.826 4.486 1.00 0.00 ? 8 LYS A HB3 7 ATOM 3443 H HG2 . LYS A 1 8 ? -0.212 -2.103 3.377 1.00 0.00 ? 8 LYS A HG2 7 ATOM 3444 H HG3 . LYS A 1 8 ? -1.646 -3.150 3.436 1.00 0.00 ? 8 LYS A HG3 7 ATOM 3445 H HD2 . LYS A 1 8 ? -1.827 -1.518 5.200 1.00 0.00 ? 8 LYS A HD2 7 ATOM 3446 H HD3 . LYS A 1 8 ? -1.528 -3.095 5.947 1.00 0.00 ? 8 LYS A HD3 7 ATOM 3447 H HE2 . LYS A 1 8 ? 0.894 -2.501 6.179 1.00 0.00 ? 8 LYS A HE2 7 ATOM 3448 H HE3 . LYS A 1 8 ? 0.574 -0.937 5.419 1.00 0.00 ? 8 LYS A HE3 7 ATOM 3449 H HZ1 . LYS A 1 8 ? -0.902 -0.408 7.284 1.00 0.00 ? 8 LYS A HZ1 7 ATOM 3450 H HZ2 . LYS A 1 8 ? -0.615 -1.858 7.981 1.00 0.00 ? 8 LYS A HZ2 7 ATOM 3451 H HZ3 . LYS A 1 8 ? 0.590 -0.768 7.842 1.00 0.00 ? 8 LYS A HZ3 7 ATOM 3452 N N . ARG A 1 9 ? 2.815 -4.657 2.174 1.00 0.00 ? 9 ARG A N 7 ATOM 3453 C CA . ARG A 1 9 ? 4.229 -5.060 2.081 1.00 0.00 ? 9 ARG A CA 7 ATOM 3454 C C . ARG A 1 9 ? 5.135 -3.994 2.710 1.00 0.00 ? 9 ARG A C 7 ATOM 3455 O O . ARG A 1 9 ? 4.684 -2.889 3.020 1.00 0.00 ? 9 ARG A O 7 ATOM 3456 C CB . ARG A 1 9 ? 4.618 -5.262 0.604 1.00 0.00 ? 9 ARG A CB 7 ATOM 3457 C CG . ARG A 1 9 ? 3.711 -6.126 -0.289 1.00 0.00 ? 9 ARG A CG 7 ATOM 3458 C CD . ARG A 1 9 ? 3.390 -7.550 0.189 1.00 0.00 ? 9 ARG A CD 7 ATOM 3459 N NE . ARG A 1 9 ? 4.582 -8.285 0.660 1.00 0.00 ? 9 ARG A NE 7 ATOM 3460 C CZ . ARG A 1 9 ? 4.781 -8.804 1.860 1.00 0.00 ? 9 ARG A CZ 7 ATOM 3461 N NH1 . ARG A 1 9 ? 3.966 -8.619 2.862 1.00 0.00 ? 9 ARG A NH1 7 ATOM 3462 N NH2 . ARG A 1 9 ? 5.837 -9.531 2.087 1.00 0.00 ? 9 ARG A NH2 7 ATOM 3463 H H . ARG A 1 9 ? 2.588 -3.705 1.901 1.00 0.00 ? 9 ARG A H 7 ATOM 3464 H HA . ARG A 1 9 ? 4.395 -5.986 2.628 1.00 0.00 ? 9 ARG A HA 7 ATOM 3465 H HB2 . ARG A 1 9 ? 4.648 -4.275 0.144 1.00 0.00 ? 9 ARG A HB2 7 ATOM 3466 H HB3 . ARG A 1 9 ? 5.627 -5.676 0.564 1.00 0.00 ? 9 ARG A HB3 7 ATOM 3467 H HG2 . ARG A 1 9 ? 2.766 -5.597 -0.436 1.00 0.00 ? 9 ARG A HG2 7 ATOM 3468 H HG3 . ARG A 1 9 ? 4.208 -6.208 -1.257 1.00 0.00 ? 9 ARG A HG3 7 ATOM 3469 H HD2 . ARG A 1 9 ? 2.631 -7.503 0.966 1.00 0.00 ? 9 ARG A HD2 7 ATOM 3470 H HD3 . ARG A 1 9 ? 2.958 -8.096 -0.654 1.00 0.00 ? 9 ARG A HD3 7 ATOM 3471 H HE . ARG A 1 9 ? 5.272 -8.519 -0.038 1.00 0.00 ? 9 ARG A HE 7 ATOM 3472 H HH11 . ARG A 1 9 ? 3.158 -8.015 2.754 1.00 0.00 ? 9 ARG A HH11 7 ATOM 3473 H HH12 . ARG A 1 9 ? 4.153 -9.044 3.755 1.00 0.00 ? 9 ARG A HH12 7 ATOM 3474 H HH21 . ARG A 1 9 ? 6.501 -9.705 1.347 1.00 0.00 ? 9 ARG A HH21 7 ATOM 3475 H HH22 . ARG A 1 9 ? 5.993 -9.930 2.998 1.00 0.00 ? 9 ARG A HH22 7 ATOM 3476 N N . MET A 1 10 ? 6.427 -4.300 2.854 1.00 0.00 ? 10 MET A N 7 ATOM 3477 C CA . MET A 1 10 ? 7.420 -3.380 3.420 1.00 0.00 ? 10 MET A CA 7 ATOM 3478 C C . MET A 1 10 ? 8.841 -3.693 2.919 1.00 0.00 ? 10 MET A C 7 ATOM 3479 O O . MET A 1 10 ? 9.283 -4.845 2.925 1.00 0.00 ? 10 MET A O 7 ATOM 3480 C CB . MET A 1 10 ? 7.352 -3.422 4.959 1.00 0.00 ? 10 MET A CB 7 ATOM 3481 C CG . MET A 1 10 ? 8.232 -2.361 5.636 1.00 0.00 ? 10 MET A CG 7 ATOM 3482 S SD . MET A 1 10 ? 8.452 -2.568 7.427 1.00 0.00 ? 10 MET A SD 7 ATOM 3483 C CE . MET A 1 10 ? 6.788 -2.182 8.036 1.00 0.00 ? 10 MET A CE 7 ATOM 3484 H H . MET A 1 10 ? 6.737 -5.215 2.561 1.00 0.00 ? 10 MET A H 7 ATOM 3485 H HA . MET A 1 10 ? 7.159 -2.376 3.097 1.00 0.00 ? 10 MET A HA 7 ATOM 3486 H HB2 . MET A 1 10 ? 6.321 -3.268 5.280 1.00 0.00 ? 10 MET A HB2 7 ATOM 3487 H HB3 . MET A 1 10 ? 7.669 -4.410 5.298 1.00 0.00 ? 10 MET A HB3 7 ATOM 3488 H HG2 . MET A 1 10 ? 9.225 -2.391 5.192 1.00 0.00 ? 10 MET A HG2 7 ATOM 3489 H HG3 . MET A 1 10 ? 7.810 -1.374 5.442 1.00 0.00 ? 10 MET A HG3 7 ATOM 3490 H HE1 . MET A 1 10 ? 6.058 -2.858 7.592 1.00 0.00 ? 10 MET A HE1 7 ATOM 3491 H HE2 . MET A 1 10 ? 6.762 -2.295 9.120 1.00 0.00 ? 10 MET A HE2 7 ATOM 3492 H HE3 . MET A 1 10 ? 6.535 -1.152 7.783 1.00 0.00 ? 10 MET A HE3 7 ATOM 3493 N N . PHE A 1 11 ? 9.554 -2.649 2.494 1.00 0.00 ? 11 PHE A N 7 ATOM 3494 C CA . PHE A 1 11 ? 10.966 -2.671 2.100 1.00 0.00 ? 11 PHE A CA 7 ATOM 3495 C C . PHE A 1 11 ? 11.968 -2.849 3.257 1.00 0.00 ? 11 PHE A C 7 ATOM 3496 O O . PHE A 1 11 ? 11.653 -2.549 4.411 1.00 0.00 ? 11 PHE A O 7 ATOM 3497 C CB . PHE A 1 11 ? 11.284 -1.415 1.275 1.00 0.00 ? 11 PHE A CB 7 ATOM 3498 C CG . PHE A 1 11 ? 10.635 -1.356 -0.096 1.00 0.00 ? 11 PHE A CG 7 ATOM 3499 C CD1 . PHE A 1 11 ? 11.126 -2.147 -1.153 1.00 0.00 ? 11 PHE A CD1 7 ATOM 3500 C CD2 . PHE A 1 11 ? 9.559 -0.479 -0.328 1.00 0.00 ? 11 PHE A CD2 7 ATOM 3501 C CE1 . PHE A 1 11 ? 10.550 -2.052 -2.434 1.00 0.00 ? 11 PHE A CE1 7 ATOM 3502 C CE2 . PHE A 1 11 ? 8.991 -0.376 -1.609 1.00 0.00 ? 11 PHE A CE2 7 ATOM 3503 C CZ . PHE A 1 11 ? 9.485 -1.163 -2.663 1.00 0.00 ? 11 PHE A CZ 7 ATOM 3504 H H . PHE A 1 11 ? 9.102 -1.741 2.526 1.00 0.00 ? 11 PHE A H 7 ATOM 3505 H HA . PHE A 1 11 ? 11.110 -3.530 1.443 1.00 0.00 ? 11 PHE A HA 7 ATOM 3506 H HB2 . PHE A 1 11 ? 10.985 -0.541 1.854 1.00 0.00 ? 11 PHE A HB2 7 ATOM 3507 H HB3 . PHE A 1 11 ? 12.365 -1.359 1.120 1.00 0.00 ? 11 PHE A HB3 7 ATOM 3508 H HD1 . PHE A 1 11 ? 11.957 -2.818 -0.987 1.00 0.00 ? 11 PHE A HD1 7 ATOM 3509 H HD2 . PHE A 1 11 ? 9.156 0.117 0.476 1.00 0.00 ? 11 PHE A HD2 7 ATOM 3510 H HE1 . PHE A 1 11 ? 10.932 -2.659 -3.243 1.00 0.00 ? 11 PHE A HE1 7 ATOM 3511 H HE2 . PHE A 1 11 ? 8.158 0.296 -1.772 1.00 0.00 ? 11 PHE A HE2 7 ATOM 3512 H HZ . PHE A 1 11 ? 9.039 -1.092 -3.647 1.00 0.00 ? 11 PHE A HZ 7 ATOM 3513 N N . ALA A 1 12 ? 13.203 -3.265 2.956 1.00 0.00 ? 12 ALA A N 7 ATOM 3514 C CA . ALA A 1 12 ? 14.267 -3.459 3.954 1.00 0.00 ? 12 ALA A CA 7 ATOM 3515 C C . ALA A 1 12 ? 14.668 -2.173 4.717 1.00 0.00 ? 12 ALA A C 7 ATOM 3516 O O . ALA A 1 12 ? 15.185 -2.250 5.835 1.00 0.00 ? 12 ALA A O 7 ATOM 3517 C CB . ALA A 1 12 ? 15.475 -4.072 3.234 1.00 0.00 ? 12 ALA A CB 7 ATOM 3518 H H . ALA A 1 12 ? 13.414 -3.489 1.994 1.00 0.00 ? 12 ALA A H 7 ATOM 3519 H HA . ALA A 1 12 ? 13.913 -4.178 4.696 1.00 0.00 ? 12 ALA A HA 7 ATOM 3520 H HB1 . ALA A 1 12 ? 15.185 -5.007 2.751 1.00 0.00 ? 12 ALA A HB1 7 ATOM 3521 H HB2 . ALA A 1 12 ? 15.856 -3.379 2.481 1.00 0.00 ? 12 ALA A HB2 7 ATOM 3522 H HB3 . ALA A 1 12 ? 16.265 -4.282 3.957 1.00 0.00 ? 12 ALA A HB3 7 ATOM 3523 N N . ASN A 1 13 ? 14.409 -0.991 4.141 1.00 0.00 ? 13 ASN A N 7 ATOM 3524 C CA . ASN A 1 13 ? 14.610 0.324 4.772 1.00 0.00 ? 13 ASN A CA 7 ATOM 3525 C C . ASN A 1 13 ? 13.461 0.765 5.716 1.00 0.00 ? 13 ASN A C 7 ATOM 3526 O O . ASN A 1 13 ? 13.547 1.836 6.323 1.00 0.00 ? 13 ASN A O 7 ATOM 3527 C CB . ASN A 1 13 ? 14.880 1.370 3.666 1.00 0.00 ? 13 ASN A CB 7 ATOM 3528 C CG . ASN A 1 13 ? 13.731 1.557 2.685 1.00 0.00 ? 13 ASN A CG 7 ATOM 3529 O OD1 . ASN A 1 13 ? 12.597 1.172 2.962 1.00 0.00 ? 13 ASN A OD1 7 ATOM 3530 N ND2 . ASN A 1 13 ? 13.998 2.172 1.545 1.00 0.00 ? 13 ASN A ND2 7 ATOM 3531 H H . ASN A 1 13 ? 13.988 -1.010 3.224 1.00 0.00 ? 13 ASN A H 7 ATOM 3532 H HA . ASN A 1 13 ? 15.505 0.270 5.393 1.00 0.00 ? 13 ASN A HA 7 ATOM 3533 H HB2 . ASN A 1 13 ? 15.092 2.339 4.127 1.00 0.00 ? 13 ASN A HB2 7 ATOM 3534 H HB3 . ASN A 1 13 ? 15.763 1.058 3.104 1.00 0.00 ? 13 ASN A HB3 7 ATOM 3535 H HD21 . ASN A 1 13 ? 14.939 2.496 1.376 1.00 0.00 ? 13 ASN A HD21 7 ATOM 3536 N N . GLY A 1 14 ? 12.382 -0.022 5.836 1.00 0.00 ? 14 GLY A N 7 ATOM 3537 C CA . GLY A 1 14 ? 11.204 0.293 6.658 1.00 0.00 ? 14 GLY A CA 7 ATOM 3538 C C . GLY A 1 14 ? 10.093 1.086 5.950 1.00 0.00 ? 14 GLY A C 7 ATOM 3539 O O . GLY A 1 14 ? 9.259 1.695 6.624 1.00 0.00 ? 14 GLY A O 7 ATOM 3540 H H . GLY A 1 14 ? 12.368 -0.892 5.316 1.00 0.00 ? 14 GLY A H 7 ATOM 3541 H HA2 . GLY A 1 14 ? 10.767 -0.651 6.991 1.00 0.00 ? 14 GLY A HA2 7 ATOM 3542 H HA3 . GLY A 1 14 ? 11.515 0.860 7.537 1.00 0.00 ? 14 GLY A HA3 7 ATOM 3543 N N . THR A 1 15 ? 10.048 1.082 4.612 1.00 0.00 ? 15 THR A N 7 ATOM 3544 C CA . THR A 1 15 ? 9.035 1.793 3.806 1.00 0.00 ? 15 THR A CA 7 ATOM 3545 C C . THR A 1 15 ? 7.883 0.853 3.450 1.00 0.00 ? 15 THR A C 7 ATOM 3546 O O . THR A 1 15 ? 8.119 -0.228 2.915 1.00 0.00 ? 15 THR A O 7 ATOM 3547 C CB . THR A 1 15 ? 9.661 2.313 2.502 1.00 0.00 ? 15 THR A CB 7 ATOM 3548 O OG1 . THR A 1 15 ? 10.733 3.184 2.777 1.00 0.00 ? 15 THR A OG1 7 ATOM 3549 C CG2 . THR A 1 15 ? 8.677 3.041 1.594 1.00 0.00 ? 15 THR A CG2 7 ATOM 3550 H H . THR A 1 15 ? 10.780 0.595 4.112 1.00 0.00 ? 15 THR A H 7 ATOM 3551 H HA . THR A 1 15 ? 8.643 2.646 4.361 1.00 0.00 ? 15 THR A HA 7 ATOM 3552 H HB . THR A 1 15 ? 10.065 1.471 1.946 1.00 0.00 ? 15 THR A HB 7 ATOM 3553 H HG1 . THR A 1 15 ? 11.424 2.612 3.154 1.00 0.00 ? 15 THR A HG1 7 ATOM 3554 H HG21 . THR A 1 15 ? 8.164 3.822 2.153 1.00 0.00 ? 15 THR A HG21 7 ATOM 3555 H HG22 . THR A 1 15 ? 9.214 3.482 0.755 1.00 0.00 ? 15 THR A HG22 7 ATOM 3556 H HG23 . THR A 1 15 ? 7.952 2.327 1.200 1.00 0.00 ? 15 THR A HG23 7 ATOM 3557 N N . VAL A 1 16 ? 6.636 1.267 3.695 1.00 0.00 ? 16 VAL A N 7 ATOM 3558 C CA . VAL A 1 16 ? 5.427 0.449 3.466 1.00 0.00 ? 16 VAL A CA 7 ATOM 3559 C C . VAL A 1 16 ? 4.840 0.763 2.085 1.00 0.00 ? 16 VAL A C 7 ATOM 3560 O O . VAL A 1 16 ? 4.844 1.915 1.638 1.00 0.00 ? 16 VAL A O 7 ATOM 3561 C CB . VAL A 1 16 ? 4.382 0.717 4.572 1.00 0.00 ? 16 VAL A CB 7 ATOM 3562 C CG1 . VAL A 1 16 ? 3.003 0.095 4.312 1.00 0.00 ? 16 VAL A CG1 7 ATOM 3563 C CG2 . VAL A 1 16 ? 4.878 0.164 5.913 1.00 0.00 ? 16 VAL A CG2 7 ATOM 3564 H H . VAL A 1 16 ? 6.510 2.187 4.094 1.00 0.00 ? 16 VAL A H 7 ATOM 3565 H HA . VAL A 1 16 ? 5.686 -0.609 3.494 1.00 0.00 ? 16 VAL A HA 7 ATOM 3566 H HB . VAL A 1 16 ? 4.247 1.795 4.673 1.00 0.00 ? 16 VAL A HB 7 ATOM 3567 H HG11 . VAL A 1 16 ? 2.350 0.290 5.164 1.00 0.00 ? 16 VAL A HG11 7 ATOM 3568 H HG12 . VAL A 1 16 ? 2.540 0.543 3.433 1.00 0.00 ? 16 VAL A HG12 7 ATOM 3569 H HG13 . VAL A 1 16 ? 3.094 -0.982 4.168 1.00 0.00 ? 16 VAL A HG13 7 ATOM 3570 H HG21 . VAL A 1 16 ? 5.826 0.626 6.186 1.00 0.00 ? 16 VAL A HG21 7 ATOM 3571 H HG22 . VAL A 1 16 ? 4.149 0.380 6.695 1.00 0.00 ? 16 VAL A HG22 7 ATOM 3572 H HG23 . VAL A 1 16 ? 5.008 -0.917 5.839 1.00 0.00 ? 16 VAL A HG23 7 ATOM 3573 N N . TYR A 1 17 ? 4.310 -0.265 1.419 1.00 0.00 ? 17 TYR A N 7 ATOM 3574 C CA . TYR A 1 17 ? 3.594 -0.163 0.142 1.00 0.00 ? 17 TYR A CA 7 ATOM 3575 C C . TYR A 1 17 ? 2.530 -1.277 0.058 1.00 0.00 ? 17 TYR A C 7 ATOM 3576 O O . TYR A 1 17 ? 2.374 -2.091 0.972 1.00 0.00 ? 17 TYR A O 7 ATOM 3577 C CB . TYR A 1 17 ? 4.611 -0.247 -1.017 1.00 0.00 ? 17 TYR A CB 7 ATOM 3578 C CG . TYR A 1 17 ? 5.316 -1.580 -1.220 1.00 0.00 ? 17 TYR A CG 7 ATOM 3579 C CD1 . TYR A 1 17 ? 6.406 -1.934 -0.399 1.00 0.00 ? 17 TYR A CD1 7 ATOM 3580 C CD2 . TYR A 1 17 ? 4.926 -2.437 -2.273 1.00 0.00 ? 17 TYR A CD2 7 ATOM 3581 C CE1 . TYR A 1 17 ? 7.112 -3.130 -0.635 1.00 0.00 ? 17 TYR A CE1 7 ATOM 3582 C CE2 . TYR A 1 17 ? 5.621 -3.640 -2.504 1.00 0.00 ? 17 TYR A CE2 7 ATOM 3583 C CZ . TYR A 1 17 ? 6.726 -3.982 -1.691 1.00 0.00 ? 17 TYR A CZ 7 ATOM 3584 O OH . TYR A 1 17 ? 7.407 -5.139 -1.910 1.00 0.00 ? 17 TYR A OH 7 ATOM 3585 H H . TYR A 1 17 ? 4.315 -1.176 1.869 1.00 0.00 ? 17 TYR A H 7 ATOM 3586 H HA . TYR A 1 17 ? 3.078 0.797 0.084 1.00 0.00 ? 17 TYR A HA 7 ATOM 3587 H HB2 . TYR A 1 17 ? 4.100 0.017 -1.942 1.00 0.00 ? 17 TYR A HB2 7 ATOM 3588 H HB3 . TYR A 1 17 ? 5.374 0.519 -0.864 1.00 0.00 ? 17 TYR A HB3 7 ATOM 3589 H HD1 . TYR A 1 17 ? 6.725 -1.268 0.394 1.00 0.00 ? 17 TYR A HD1 7 ATOM 3590 H HD2 . TYR A 1 17 ? 4.101 -2.168 -2.925 1.00 0.00 ? 17 TYR A HD2 7 ATOM 3591 H HE1 . TYR A 1 17 ? 7.963 -3.392 -0.024 1.00 0.00 ? 17 TYR A HE1 7 ATOM 3592 H HE2 . TYR A 1 17 ? 5.313 -4.297 -3.306 1.00 0.00 ? 17 TYR A HE2 7 ATOM 3593 H HH . TYR A 1 17 ? 7.084 -5.602 -2.692 1.00 0.00 ? 17 TYR A HH 7 ATOM 3594 N N . TYR A 1 18 ? 1.791 -1.314 -1.050 1.00 0.00 ? 18 TYR A N 7 ATOM 3595 C CA . TYR A 1 18 ? 0.710 -2.261 -1.328 1.00 0.00 ? 18 TYR A CA 7 ATOM 3596 C C . TYR A 1 18 ? 1.021 -3.066 -2.598 1.00 0.00 ? 18 TYR A C 7 ATOM 3597 O O . TYR A 1 18 ? 1.543 -2.519 -3.576 1.00 0.00 ? 18 TYR A O 7 ATOM 3598 C CB . TYR A 1 18 ? -0.622 -1.500 -1.454 1.00 0.00 ? 18 TYR A CB 7 ATOM 3599 C CG . TYR A 1 18 ? -1.008 -0.695 -0.222 1.00 0.00 ? 18 TYR A CG 7 ATOM 3600 C CD1 . TYR A 1 18 ? -0.581 0.642 -0.089 1.00 0.00 ? 18 TYR A CD1 7 ATOM 3601 C CD2 . TYR A 1 18 ? -1.792 -1.281 0.792 1.00 0.00 ? 18 TYR A CD2 7 ATOM 3602 C CE1 . TYR A 1 18 ? -0.905 1.380 1.065 1.00 0.00 ? 18 TYR A CE1 7 ATOM 3603 C CE2 . TYR A 1 18 ? -2.138 -0.538 1.937 1.00 0.00 ? 18 TYR A CE2 7 ATOM 3604 C CZ . TYR A 1 18 ? -1.683 0.791 2.082 1.00 0.00 ? 18 TYR A CZ 7 ATOM 3605 O OH . TYR A 1 18 ? -1.997 1.507 3.195 1.00 0.00 ? 18 TYR A OH 7 ATOM 3606 H H . TYR A 1 18 ? 1.964 -0.610 -1.758 1.00 0.00 ? 18 TYR A H 7 ATOM 3607 H HA . TYR A 1 18 ? 0.614 -2.964 -0.501 1.00 0.00 ? 18 TYR A HA 7 ATOM 3608 H HB2 . TYR A 1 18 ? -0.563 -0.823 -2.311 1.00 0.00 ? 18 TYR A HB2 7 ATOM 3609 H HB3 . TYR A 1 18 ? -1.415 -2.225 -1.650 1.00 0.00 ? 18 TYR A HB3 7 ATOM 3610 H HD1 . TYR A 1 18 ? -0.000 1.106 -0.875 1.00 0.00 ? 18 TYR A HD1 7 ATOM 3611 H HD2 . TYR A 1 18 ? -2.129 -2.306 0.692 1.00 0.00 ? 18 TYR A HD2 7 ATOM 3612 H HE1 . TYR A 1 18 ? -0.568 2.402 1.172 1.00 0.00 ? 18 TYR A HE1 7 ATOM 3613 H HE2 . TYR A 1 18 ? -2.738 -0.989 2.714 1.00 0.00 ? 18 TYR A HE2 7 ATOM 3614 H HH . TYR A 1 18 ? -2.549 1.002 3.804 1.00 0.00 ? 18 TYR A HH 7 ATOM 3615 N N . PHE A 1 19 ? 0.685 -4.356 -2.598 1.00 0.00 ? 19 PHE A N 7 ATOM 3616 C CA . PHE A 1 19 ? 0.928 -5.282 -3.710 1.00 0.00 ? 19 PHE A CA 7 ATOM 3617 C C . PHE A 1 19 ? -0.266 -6.199 -3.989 1.00 0.00 ? 19 PHE A C 7 ATOM 3618 O O . PHE A 1 19 ? -0.858 -6.737 -3.052 1.00 0.00 ? 19 PHE A O 7 ATOM 3619 C CB . PHE A 1 19 ? 2.205 -6.086 -3.445 1.00 0.00 ? 19 PHE A CB 7 ATOM 3620 C CG . PHE A 1 19 ? 2.505 -7.111 -4.514 1.00 0.00 ? 19 PHE A CG 7 ATOM 3621 C CD1 . PHE A 1 19 ? 2.991 -6.655 -5.748 1.00 0.00 ? 19 PHE A CD1 7 ATOM 3622 C CD2 . PHE A 1 19 ? 2.272 -8.487 -4.315 1.00 0.00 ? 19 PHE A CD2 7 ATOM 3623 C CE1 . PHE A 1 19 ? 3.238 -7.557 -6.790 1.00 0.00 ? 19 PHE A CE1 7 ATOM 3624 C CE2 . PHE A 1 19 ? 2.549 -9.397 -5.354 1.00 0.00 ? 19 PHE A CE2 7 ATOM 3625 C CZ . PHE A 1 19 ? 3.028 -8.933 -6.593 1.00 0.00 ? 19 PHE A CZ 7 ATOM 3626 H H . PHE A 1 19 ? 0.283 -4.747 -1.752 1.00 0.00 ? 19 PHE A H 7 ATOM 3627 H HA . PHE A 1 19 ? 1.105 -4.717 -4.627 1.00 0.00 ? 19 PHE A HA 7 ATOM 3628 H HB2 . PHE A 1 19 ? 3.049 -5.396 -3.371 1.00 0.00 ? 19 PHE A HB2 7 ATOM 3629 H HB3 . PHE A 1 19 ? 2.091 -6.605 -2.494 1.00 0.00 ? 19 PHE A HB3 7 ATOM 3630 H HD1 . PHE A 1 19 ? 3.154 -5.601 -5.904 1.00 0.00 ? 19 PHE A HD1 7 ATOM 3631 H HD2 . PHE A 1 19 ? 1.878 -8.852 -3.376 1.00 0.00 ? 19 PHE A HD2 7 ATOM 3632 H HE1 . PHE A 1 19 ? 3.580 -7.169 -7.738 1.00 0.00 ? 19 PHE A HE1 7 ATOM 3633 H HE2 . PHE A 1 19 ? 2.383 -10.454 -5.201 1.00 0.00 ? 19 PHE A HE2 7 ATOM 3634 H HZ . PHE A 1 19 ? 3.226 -9.633 -7.395 1.00 0.00 ? 19 PHE A HZ 7 ATOM 3635 N N . ASN A 1 20 ? -0.616 -6.395 -5.260 1.00 0.00 ? 20 ASN A N 7 ATOM 3636 C CA . ASN A 1 20 ? -1.684 -7.297 -5.680 1.00 0.00 ? 20 ASN A CA 7 ATOM 3637 C C . ASN A 1 20 ? -1.105 -8.647 -6.135 1.00 0.00 ? 20 ASN A C 7 ATOM 3638 O O . ASN A 1 20 ? -0.412 -8.724 -7.151 1.00 0.00 ? 20 ASN A O 7 ATOM 3639 C CB . ASN A 1 20 ? -2.509 -6.614 -6.776 1.00 0.00 ? 20 ASN A CB 7 ATOM 3640 C CG . ASN A 1 20 ? -3.818 -7.350 -6.993 1.00 0.00 ? 20 ASN A CG 7 ATOM 3641 O OD1 . ASN A 1 20 ? -3.849 -8.549 -7.224 1.00 0.00 ? 20 ASN A OD1 7 ATOM 3642 N ND2 . ASN A 1 20 ? -4.931 -6.664 -6.927 1.00 0.00 ? 20 ASN A ND2 7 ATOM 3643 H H . ASN A 1 20 ? -0.081 -5.928 -5.985 1.00 0.00 ? 20 ASN A H 7 ATOM 3644 H HA . ASN A 1 20 ? -2.345 -7.474 -4.836 1.00 0.00 ? 20 ASN A HA 7 ATOM 3645 H HB2 . ASN A 1 20 ? -2.723 -5.590 -6.475 1.00 0.00 ? 20 ASN A HB2 7 ATOM 3646 H HB3 . ASN A 1 20 ? -1.949 -6.596 -7.710 1.00 0.00 ? 20 ASN A HB3 7 ATOM 3647 H HD21 . ASN A 1 20 ? -4.902 -5.690 -6.663 1.00 0.00 ? 20 ASN A HD21 7 ATOM 3648 H HD22 . ASN A 1 20 ? -5.813 -7.160 -6.943 1.00 0.00 ? 20 ASN A HD22 7 ATOM 3649 N N . HIS A 1 21 ? -1.416 -9.729 -5.414 1.00 0.00 ? 21 HIS A N 7 ATOM 3650 C CA . HIS A 1 21 ? -0.887 -11.069 -5.711 1.00 0.00 ? 21 HIS A CA 7 ATOM 3651 C C . HIS A 1 21 ? -1.518 -11.715 -6.960 1.00 0.00 ? 21 HIS A C 7 ATOM 3652 O O . HIS A 1 21 ? -0.907 -12.588 -7.580 1.00 0.00 ? 21 HIS A O 7 ATOM 3653 C CB . HIS A 1 21 ? -1.019 -11.956 -4.459 1.00 0.00 ? 21 HIS A CB 7 ATOM 3654 C CG . HIS A 1 21 ? -2.319 -12.725 -4.337 1.00 0.00 ? 21 HIS A CG 7 ATOM 3655 N ND1 . HIS A 1 21 ? -2.582 -13.966 -4.928 1.00 0.00 ? 21 HIS A ND1 7 ATOM 3656 C CD2 . HIS A 1 21 ? -3.383 -12.383 -3.554 1.00 0.00 ? 21 HIS A CD2 7 ATOM 3657 C CE1 . HIS A 1 21 ? -3.805 -14.330 -4.504 1.00 0.00 ? 21 HIS A CE1 7 ATOM 3658 N NE2 . HIS A 1 21 ? -4.311 -13.396 -3.681 1.00 0.00 ? 21 HIS A NE2 7 ATOM 3659 H H . HIS A 1 21 ? -2.026 -9.611 -4.610 1.00 0.00 ? 21 HIS A H 7 ATOM 3660 H HA . HIS A 1 21 ? 0.178 -10.966 -5.927 1.00 0.00 ? 21 HIS A HA 7 ATOM 3661 H HB2 . HIS A 1 21 ? -0.206 -12.684 -4.487 1.00 0.00 ? 21 HIS A HB2 7 ATOM 3662 H HB3 . HIS A 1 21 ? -0.880 -11.346 -3.561 1.00 0.00 ? 21 HIS A HB3 7 ATOM 3663 H HD2 . HIS A 1 21 ? -3.472 -11.495 -2.945 1.00 0.00 ? 21 HIS A HD2 7 ATOM 3664 H HE1 . HIS A 1 21 ? -4.312 -15.249 -4.780 1.00 0.00 ? 21 HIS A HE1 7 ATOM 3665 H HE2 . HIS A 1 21 ? -5.212 -13.453 -3.216 1.00 0.00 ? 21 HIS A HE2 7 ATOM 3666 N N . ILE A 1 22 ? -2.721 -11.275 -7.351 1.00 0.00 ? 22 ILE A N 7 ATOM 3667 C CA . ILE A 1 22 ? -3.496 -11.801 -8.485 1.00 0.00 ? 22 ILE A CA 7 ATOM 3668 C C . ILE A 1 22 ? -3.047 -11.161 -9.808 1.00 0.00 ? 22 ILE A C 7 ATOM 3669 O O . ILE A 1 22 ? -2.926 -11.843 -10.829 1.00 0.00 ? 22 ILE A O 7 ATOM 3670 C CB . ILE A 1 22 ? -5.007 -11.548 -8.233 1.00 0.00 ? 22 ILE A CB 7 ATOM 3671 C CG1 . ILE A 1 22 ? -5.436 -12.122 -6.857 1.00 0.00 ? 22 ILE A CG1 7 ATOM 3672 C CG2 . ILE A 1 22 ? -5.852 -12.149 -9.369 1.00 0.00 ? 22 ILE A CG2 7 ATOM 3673 C CD1 . ILE A 1 22 ? -6.928 -11.995 -6.526 1.00 0.00 ? 22 ILE A CD1 7 ATOM 3674 H H . ILE A 1 22 ? -3.140 -10.519 -6.826 1.00 0.00 ? 22 ILE A H 7 ATOM 3675 H HA . ILE A 1 22 ? -3.336 -12.878 -8.559 1.00 0.00 ? 22 ILE A HA 7 ATOM 3676 H HB . ILE A 1 22 ? -5.182 -10.466 -8.225 1.00 0.00 ? 22 ILE A HB 7 ATOM 3677 H HG12 . ILE A 1 22 ? -5.159 -13.177 -6.803 1.00 0.00 ? 22 ILE A HG12 7 ATOM 3678 H HG13 . ILE A 1 22 ? -4.894 -11.593 -6.072 1.00 0.00 ? 22 ILE A HG13 7 ATOM 3679 H HG21 . ILE A 1 22 ? -5.562 -11.722 -10.329 1.00 0.00 ? 22 ILE A HG21 7 ATOM 3680 H HG22 . ILE A 1 22 ? -5.716 -13.231 -9.398 1.00 0.00 ? 22 ILE A HG22 7 ATOM 3681 H HG23 . ILE A 1 22 ? -6.904 -11.917 -9.222 1.00 0.00 ? 22 ILE A HG23 7 ATOM 3682 H HD11 . ILE A 1 22 ? -7.260 -10.968 -6.686 1.00 0.00 ? 22 ILE A HD11 7 ATOM 3683 H HD12 . ILE A 1 22 ? -7.515 -12.672 -7.146 1.00 0.00 ? 22 ILE A HD12 7 ATOM 3684 H HD13 . ILE A 1 22 ? -7.084 -12.260 -5.480 1.00 0.00 ? 22 ILE A HD13 7 ATOM 3685 N N . THR A 1 23 ? -2.771 -9.853 -9.783 1.00 0.00 ? 23 THR A N 7 ATOM 3686 C CA . THR A 1 23 ? -2.474 -9.012 -10.961 1.00 0.00 ? 23 THR A CA 7 ATOM 3687 C C . THR A 1 23 ? -1.021 -8.552 -11.108 1.00 0.00 ? 23 THR A C 7 ATOM 3688 O O . THR A 1 23 ? -0.650 -7.993 -12.142 1.00 0.00 ? 23 THR A O 7 ATOM 3689 C CB . THR A 1 23 ? -3.439 -7.818 -11.046 1.00 0.00 ? 23 THR A CB 7 ATOM 3690 O OG1 . THR A 1 23 ? -3.040 -6.826 -10.130 1.00 0.00 ? 23 THR A OG1 7 ATOM 3691 C CG2 . THR A 1 23 ? -4.896 -8.143 -10.719 1.00 0.00 ? 23 THR A CG2 7 ATOM 3692 H H . THR A 1 23 ? -2.924 -9.373 -8.902 1.00 0.00 ? 23 THR A H 7 ATOM 3693 H HA . THR A 1 23 ? -2.673 -9.609 -11.851 1.00 0.00 ? 23 THR A HA 7 ATOM 3694 H HB . THR A 1 23 ? -3.393 -7.401 -12.053 1.00 0.00 ? 23 THR A HB 7 ATOM 3695 H HG1 . THR A 1 23 ? -3.857 -6.413 -9.822 1.00 0.00 ? 23 THR A HG1 7 ATOM 3696 H HG21 . THR A 1 23 ? -5.517 -7.275 -10.940 1.00 0.00 ? 23 THR A HG21 7 ATOM 3697 H HG22 . THR A 1 23 ? -5.227 -8.979 -11.335 1.00 0.00 ? 23 THR A HG22 7 ATOM 3698 H HG23 . THR A 1 23 ? -5.006 -8.401 -9.667 1.00 0.00 ? 23 THR A HG23 7 ATOM 3699 N N . ASN A 1 24 ? -0.192 -8.787 -10.084 1.00 0.00 ? 24 ASN A N 7 ATOM 3700 C CA . ASN A 1 24 ? 1.184 -8.297 -9.940 1.00 0.00 ? 24 ASN A CA 7 ATOM 3701 C C . ASN A 1 24 ? 1.332 -6.756 -9.921 1.00 0.00 ? 24 ASN A C 7 ATOM 3702 O O . ASN A 1 24 ? 2.447 -6.240 -10.049 1.00 0.00 ? 24 ASN A O 7 ATOM 3703 C CB . ASN A 1 24 ? 2.129 -9.015 -10.926 1.00 0.00 ? 24 ASN A CB 7 ATOM 3704 C CG . ASN A 1 24 ? 2.118 -10.525 -10.754 1.00 0.00 ? 24 ASN A CG 7 ATOM 3705 O OD1 . ASN A 1 24 ? 2.496 -11.061 -9.720 1.00 0.00 ? 24 ASN A OD1 7 ATOM 3706 N ND2 . ASN A 1 24 ? 1.730 -11.266 -11.768 1.00 0.00 ? 24 ASN A ND2 7 ATOM 3707 H H . ASN A 1 24 ? -0.590 -9.234 -9.267 1.00 0.00 ? 24 ASN A H 7 ATOM 3708 H HA . ASN A 1 24 ? 1.500 -8.600 -8.942 1.00 0.00 ? 24 ASN A HA 7 ATOM 3709 H HB2 . ASN A 1 24 ? 1.857 -8.756 -11.951 1.00 0.00 ? 24 ASN A HB2 7 ATOM 3710 H HB3 . ASN A 1 24 ? 3.153 -8.680 -10.751 1.00 0.00 ? 24 ASN A HB3 7 ATOM 3711 H HD21 . ASN A 1 24 ? 1.430 -10.828 -12.628 1.00 0.00 ? 24 ASN A HD21 7 ATOM 3712 H HD22 . ASN A 1 24 ? 1.735 -12.271 -11.657 1.00 0.00 ? 24 ASN A HD22 7 ATOM 3713 N N . ALA A 1 25 ? 0.234 -6.005 -9.754 1.00 0.00 ? 25 ALA A N 7 ATOM 3714 C CA . ALA A 1 25 ? 0.271 -4.551 -9.569 1.00 0.00 ? 25 ALA A CA 7 ATOM 3715 C C . ALA A 1 25 ? 0.898 -4.148 -8.214 1.00 0.00 ? 25 ALA A C 7 ATOM 3716 O O . ALA A 1 25 ? 0.803 -4.881 -7.228 1.00 0.00 ? 25 ALA A O 7 ATOM 3717 C CB . ALA A 1 25 ? -1.150 -3.999 -9.720 1.00 0.00 ? 25 ALA A CB 7 ATOM 3718 H H . ALA A 1 25 ? -0.664 -6.467 -9.689 1.00 0.00 ? 25 ALA A H 7 ATOM 3719 H HA . ALA A 1 25 ? 0.885 -4.119 -10.361 1.00 0.00 ? 25 ALA A HA 7 ATOM 3720 H HB1 . ALA A 1 25 ? -1.132 -2.910 -9.654 1.00 0.00 ? 25 ALA A HB1 7 ATOM 3721 H HB2 . ALA A 1 25 ? -1.559 -4.284 -10.690 1.00 0.00 ? 25 ALA A HB2 7 ATOM 3722 H HB3 . ALA A 1 25 ? -1.792 -4.391 -8.929 1.00 0.00 ? 25 ALA A HB3 7 ATOM 3723 N N . SER A 1 26 ? 1.496 -2.955 -8.149 1.00 0.00 ? 26 SER A N 7 ATOM 3724 C CA . SER A 1 26 ? 2.072 -2.361 -6.929 1.00 0.00 ? 26 SER A CA 7 ATOM 3725 C C . SER A 1 26 ? 1.790 -0.859 -6.833 1.00 0.00 ? 26 SER A C 7 ATOM 3726 O O . SER A 1 26 ? 1.778 -0.162 -7.852 1.00 0.00 ? 26 SER A O 7 ATOM 3727 C CB . SER A 1 26 ? 3.584 -2.614 -6.825 1.00 0.00 ? 26 SER A CB 7 ATOM 3728 O OG . SER A 1 26 ? 4.282 -2.191 -7.989 1.00 0.00 ? 26 SER A OG 7 ATOM 3729 H H . SER A 1 26 ? 1.538 -2.398 -8.992 1.00 0.00 ? 26 SER A H 7 ATOM 3730 H HA . SER A 1 26 ? 1.613 -2.843 -6.067 1.00 0.00 ? 26 SER A HA 7 ATOM 3731 H HB2 . SER A 1 26 ? 3.976 -2.084 -5.955 1.00 0.00 ? 26 SER A HB2 7 ATOM 3732 H HB3 . SER A 1 26 ? 3.761 -3.676 -6.666 1.00 0.00 ? 26 SER A HB3 7 ATOM 3733 H HG . SER A 1 26 ? 4.130 -1.243 -8.111 1.00 0.00 ? 26 SER A HG 7 ATOM 3734 N N . GLN A 1 27 ? 1.602 -0.345 -5.614 1.00 0.00 ? 27 GLN A N 7 ATOM 3735 C CA . GLN A 1 27 ? 1.317 1.070 -5.344 1.00 0.00 ? 27 GLN A CA 7 ATOM 3736 C C . GLN A 1 27 ? 1.802 1.519 -3.957 1.00 0.00 ? 27 GLN A C 7 ATOM 3737 O O . GLN A 1 27 ? 1.771 0.753 -2.994 1.00 0.00 ? 27 GLN A O 7 ATOM 3738 C CB . GLN A 1 27 ? -0.201 1.336 -5.471 1.00 0.00 ? 27 GLN A CB 7 ATOM 3739 C CG . GLN A 1 27 ? -0.590 2.144 -6.719 1.00 0.00 ? 27 GLN A CG 7 ATOM 3740 C CD . GLN A 1 27 ? -0.097 3.595 -6.713 1.00 0.00 ? 27 GLN A CD 7 ATOM 3741 O OE1 . GLN A 1 27 ? 0.498 4.097 -5.765 1.00 0.00 ? 27 GLN A OE1 7 ATOM 3742 N NE2 . GLN A 1 27 ? -0.324 4.333 -7.778 1.00 0.00 ? 27 GLN A NE2 7 ATOM 3743 H H . GLN A 1 27 ? 1.632 -0.975 -4.818 1.00 0.00 ? 27 GLN A H 7 ATOM 3744 H HA . GLN A 1 27 ? 1.848 1.677 -6.078 1.00 0.00 ? 27 GLN A HA 7 ATOM 3745 H HB2 . GLN A 1 27 ? -0.743 0.389 -5.487 1.00 0.00 ? 27 GLN A HB2 7 ATOM 3746 H HB3 . GLN A 1 27 ? -0.552 1.883 -4.599 1.00 0.00 ? 27 GLN A HB3 7 ATOM 3747 H HG2 . GLN A 1 27 ? -0.212 1.641 -7.608 1.00 0.00 ? 27 GLN A HG2 7 ATOM 3748 H HG3 . GLN A 1 27 ? -1.677 2.163 -6.785 1.00 0.00 ? 27 GLN A HG3 7 ATOM 3749 H HE21 . GLN A 1 27 ? -0.813 3.943 -8.574 1.00 0.00 ? 27 GLN A HE21 7 ATOM 3750 H HE22 . GLN A 1 27 ? -0.001 5.292 -7.769 1.00 0.00 ? 27 GLN A HE22 7 ATOM 3751 N N . PHE A 1 28 ? 2.221 2.780 -3.853 1.00 0.00 ? 28 PHE A N 7 ATOM 3752 C CA . PHE A 1 28 ? 2.508 3.449 -2.581 1.00 0.00 ? 28 PHE A CA 7 ATOM 3753 C C . PHE A 1 28 ? 1.274 4.038 -1.880 1.00 0.00 ? 28 PHE A C 7 ATOM 3754 O O . PHE A 1 28 ? 1.212 4.107 -0.651 1.00 0.00 ? 28 PHE A O 7 ATOM 3755 C CB . PHE A 1 28 ? 3.633 4.479 -2.755 1.00 0.00 ? 28 PHE A CB 7 ATOM 3756 C CG . PHE A 1 28 ? 5.009 3.868 -2.940 1.00 0.00 ? 28 PHE A CG 7 ATOM 3757 C CD1 . PHE A 1 28 ? 5.762 3.461 -1.820 1.00 0.00 ? 28 PHE A CD1 7 ATOM 3758 C CD2 . PHE A 1 28 ? 5.543 3.707 -4.234 1.00 0.00 ? 28 PHE A CD2 7 ATOM 3759 C CE1 . PHE A 1 28 ? 7.043 2.910 -1.995 1.00 0.00 ? 28 PHE A CE1 7 ATOM 3760 C CE2 . PHE A 1 28 ? 6.824 3.150 -4.407 1.00 0.00 ? 28 PHE A CE2 7 ATOM 3761 C CZ . PHE A 1 28 ? 7.576 2.754 -3.287 1.00 0.00 ? 28 PHE A CZ 7 ATOM 3762 H H . PHE A 1 28 ? 2.173 3.359 -4.683 1.00 0.00 ? 28 PHE A H 7 ATOM 3763 H HA . PHE A 1 28 ? 2.892 2.699 -1.888 1.00 0.00 ? 28 PHE A HA 7 ATOM 3764 H HB2 . PHE A 1 28 ? 3.399 5.127 -3.605 1.00 0.00 ? 28 PHE A HB2 7 ATOM 3765 H HB3 . PHE A 1 28 ? 3.668 5.103 -1.858 1.00 0.00 ? 28 PHE A HB3 7 ATOM 3766 H HD1 . PHE A 1 28 ? 5.357 3.576 -0.823 1.00 0.00 ? 28 PHE A HD1 7 ATOM 3767 H HD2 . PHE A 1 28 ? 4.970 4.013 -5.099 1.00 0.00 ? 28 PHE A HD2 7 ATOM 3768 H HE1 . PHE A 1 28 ? 7.620 2.605 -1.134 1.00 0.00 ? 28 PHE A HE1 7 ATOM 3769 H HE2 . PHE A 1 28 ? 7.231 3.028 -5.402 1.00 0.00 ? 28 PHE A HE2 7 ATOM 3770 H HZ . PHE A 1 28 ? 8.562 2.328 -3.420 1.00 0.00 ? 28 PHE A HZ 7 ATOM 3771 N N . GLU A 1 29 ? 0.273 4.439 -2.671 1.00 0.00 ? 29 GLU A N 7 ATOM 3772 C CA . GLU A 1 29 ? -1.047 4.880 -2.206 1.00 0.00 ? 29 GLU A CA 7 ATOM 3773 C C . GLU A 1 29 ? -1.971 3.680 -1.913 1.00 0.00 ? 29 GLU A C 7 ATOM 3774 O O . GLU A 1 29 ? -1.939 2.672 -2.625 1.00 0.00 ? 29 GLU A O 7 ATOM 3775 C CB . GLU A 1 29 ? -1.647 5.830 -3.260 1.00 0.00 ? 29 GLU A CB 7 ATOM 3776 C CG . GLU A 1 29 ? -3.008 6.418 -2.851 1.00 0.00 ? 29 GLU A CG 7 ATOM 3777 C CD . GLU A 1 29 ? -3.538 7.508 -3.812 1.00 0.00 ? 29 GLU A CD 7 ATOM 3778 O OE1 . GLU A 1 29 ? -4.665 8.010 -3.577 1.00 0.00 ? 29 GLU A OE1 7 ATOM 3779 O OE2 . GLU A 1 29 ? -2.855 7.886 -4.797 1.00 0.00 ? 29 GLU A OE2 7 ATOM 3780 H H . GLU A 1 29 ? 0.392 4.325 -3.672 1.00 0.00 ? 29 GLU A H 7 ATOM 3781 H HA . GLU A 1 29 ? -0.925 5.445 -1.279 1.00 0.00 ? 29 GLU A HA 7 ATOM 3782 H HB2 . GLU A 1 29 ? -0.943 6.649 -3.411 1.00 0.00 ? 29 GLU A HB2 7 ATOM 3783 H HB3 . GLU A 1 29 ? -1.761 5.291 -4.202 1.00 0.00 ? 29 GLU A HB3 7 ATOM 3784 H HG2 . GLU A 1 29 ? -3.741 5.610 -2.805 1.00 0.00 ? 29 GLU A HG2 7 ATOM 3785 H HG3 . GLU A 1 29 ? -2.913 6.846 -1.850 1.00 0.00 ? 29 GLU A HG3 7 ATOM 3786 N N . ARG A 1 30 ? -2.821 3.785 -0.883 1.00 0.00 ? 30 ARG A N 7 ATOM 3787 C CA . ARG A 1 30 ? -3.780 2.733 -0.501 1.00 0.00 ? 30 ARG A CA 7 ATOM 3788 C C . ARG A 1 30 ? -4.777 2.442 -1.654 1.00 0.00 ? 30 ARG A C 7 ATOM 3789 O O . ARG A 1 30 ? -5.435 3.377 -2.121 1.00 0.00 ? 30 ARG A O 7 ATOM 3790 C CB . ARG A 1 30 ? -4.405 3.123 0.852 1.00 0.00 ? 30 ARG A CB 7 ATOM 3791 C CG . ARG A 1 30 ? -5.465 2.146 1.381 1.00 0.00 ? 30 ARG A CG 7 ATOM 3792 C CD . ARG A 1 30 ? -6.885 2.562 0.965 1.00 0.00 ? 30 ARG A CD 7 ATOM 3793 N NE . ARG A 1 30 ? -7.717 1.411 0.587 1.00 0.00 ? 30 ARG A NE 7 ATOM 3794 C CZ . ARG A 1 30 ? -8.246 0.487 1.361 1.00 0.00 ? 30 ARG A CZ 7 ATOM 3795 N NH1 . ARG A 1 30 ? -8.033 0.420 2.644 1.00 0.00 ? 30 ARG A NH1 7 ATOM 3796 N NH2 . ARG A 1 30 ? -9.015 -0.422 0.842 1.00 0.00 ? 30 ARG A NH2 7 ATOM 3797 H H . ARG A 1 30 ? -2.814 4.642 -0.345 1.00 0.00 ? 30 ARG A H 7 ATOM 3798 H HA . ARG A 1 30 ? -3.199 1.831 -0.325 1.00 0.00 ? 30 ARG A HA 7 ATOM 3799 H HB2 . ARG A 1 30 ? -3.594 3.156 1.580 1.00 0.00 ? 30 ARG A HB2 7 ATOM 3800 H HB3 . ARG A 1 30 ? -4.829 4.127 0.792 1.00 0.00 ? 30 ARG A HB3 7 ATOM 3801 H HG2 . ARG A 1 30 ? -5.240 1.138 1.026 1.00 0.00 ? 30 ARG A HG2 7 ATOM 3802 H HG3 . ARG A 1 30 ? -5.423 2.142 2.473 1.00 0.00 ? 30 ARG A HG3 7 ATOM 3803 H HD2 . ARG A 1 30 ? -7.353 3.117 1.781 1.00 0.00 ? 30 ARG A HD2 7 ATOM 3804 H HD3 . ARG A 1 30 ? -6.833 3.232 0.106 1.00 0.00 ? 30 ARG A HD3 7 ATOM 3805 H HE . ARG A 1 30 ? -7.840 1.260 -0.409 1.00 0.00 ? 30 ARG A HE 7 ATOM 3806 H HH11 . ARG A 1 30 ? -7.451 1.108 3.087 1.00 0.00 ? 30 ARG A HH11 7 ATOM 3807 H HH12 . ARG A 1 30 ? -8.350 -0.398 3.150 1.00 0.00 ? 30 ARG A HH12 7 ATOM 3808 H HH21 . ARG A 1 30 ? -9.241 -0.375 -0.139 1.00 0.00 ? 30 ARG A HH21 7 ATOM 3809 H HH22 . ARG A 1 30 ? -9.444 -1.102 1.447 1.00 0.00 ? 30 ARG A HH22 7 ATOM 3810 N N . PRO A 1 31 ? -4.894 1.186 -2.138 1.00 0.00 ? 31 PRO A N 7 ATOM 3811 C CA . PRO A 1 31 ? -5.632 0.833 -3.360 1.00 0.00 ? 31 PRO A CA 7 ATOM 3812 C C . PRO A 1 31 ? -7.162 0.852 -3.216 1.00 0.00 ? 31 PRO A C 7 ATOM 3813 O O . PRO A 1 31 ? -7.706 0.702 -2.121 1.00 0.00 ? 31 PRO A O 7 ATOM 3814 C CB . PRO A 1 31 ? -5.122 -0.562 -3.746 1.00 0.00 ? 31 PRO A CB 7 ATOM 3815 C CG . PRO A 1 31 ? -4.779 -1.178 -2.394 1.00 0.00 ? 31 PRO A CG 7 ATOM 3816 C CD . PRO A 1 31 ? -4.212 0.008 -1.626 1.00 0.00 ? 31 PRO A CD 7 ATOM 3817 H HA . PRO A 1 31 ? -5.360 1.530 -4.154 1.00 0.00 ? 31 PRO A HA 7 ATOM 3818 H HB2 . PRO A 1 31 ? -5.868 -1.150 -4.282 1.00 0.00 ? 31 PRO A HB2 7 ATOM 3819 H HB3 . PRO A 1 31 ? -4.212 -0.467 -4.343 1.00 0.00 ? 31 PRO A HB3 7 ATOM 3820 H HG2 . PRO A 1 31 ? -5.690 -1.526 -1.908 1.00 0.00 ? 31 PRO A HG2 7 ATOM 3821 H HG3 . PRO A 1 31 ? -4.048 -1.980 -2.475 1.00 0.00 ? 31 PRO A HG3 7 ATOM 3822 H HD2 . PRO A 1 31 ? -4.379 -0.126 -0.557 1.00 0.00 ? 31 PRO A HD2 7 ATOM 3823 H HD3 . PRO A 1 31 ? -3.148 0.100 -1.834 1.00 0.00 ? 31 PRO A HD3 7 ATOM 3824 N N . SER A 1 32 ? -7.865 0.991 -4.345 1.00 0.00 ? 32 SER A N 7 ATOM 3825 C CA . SER A 1 32 ? -9.336 1.109 -4.410 1.00 0.00 ? 32 SER A CA 7 ATOM 3826 C C . SER A 1 32 ? -9.958 0.391 -5.630 1.00 0.00 ? 32 SER A C 7 ATOM 3827 O O . SER A 1 32 ? -11.033 0.775 -6.106 1.00 0.00 ? 32 SER A O 7 ATOM 3828 C CB . SER A 1 32 ? -9.718 2.598 -4.332 1.00 0.00 ? 32 SER A CB 7 ATOM 3829 O OG . SER A 1 32 ? -11.119 2.776 -4.192 1.00 0.00 ? 32 SER A OG 7 ATOM 3830 H H . SER A 1 32 ? -7.348 1.108 -5.207 1.00 0.00 ? 32 SER A H 7 ATOM 3831 H HA . SER A 1 32 ? -9.755 0.622 -3.530 1.00 0.00 ? 32 SER A HA 7 ATOM 3832 H HB2 . SER A 1 32 ? -9.221 3.050 -3.472 1.00 0.00 ? 32 SER A HB2 7 ATOM 3833 H HB3 . SER A 1 32 ? -9.374 3.106 -5.235 1.00 0.00 ? 32 SER A HB3 7 ATOM 3834 H HG . SER A 1 32 ? -11.527 2.326 -4.952 1.00 0.00 ? 32 SER A HG 7 ATOM 3835 N N . GLY A 1 33 ? -9.290 -0.646 -6.157 1.00 0.00 ? 33 GLY A N 7 ATOM 3836 C CA . GLY A 1 33 ? -9.731 -1.435 -7.323 1.00 0.00 ? 33 GLY A CA 7 ATOM 3837 C C . GLY A 1 33 ? -8.975 -2.751 -7.495 1.00 0.00 ? 33 GLY A C 7 ATOM 3838 O O . GLY A 1 33 ? -9.645 -3.793 -7.661 1.00 0.00 ? 33 GLY A O 7 ATOM 3839 O OXT . GLY A 1 33 ? -7.725 -2.726 -7.473 1.00 0.00 ? 33 GLY A OXT 7 ATOM 3840 H H . GLY A 1 33 ? -8.413 -0.909 -5.728 1.00 0.00 ? 33 GLY A H 7 ATOM 3841 H HA2 . GLY A 1 33 ? -10.793 -1.663 -7.228 1.00 0.00 ? 33 GLY A HA2 7 ATOM 3842 H HA3 . GLY A 1 33 ? -9.589 -0.850 -8.231 1.00 0.00 ? 33 GLY A HA3 7 HETATM 3843 C C1 . GAL B 2 . ? 13.056 2.227 0.442 1.00 0.00 ? 101 GAL A C1 7 HETATM 3844 C C2 . GAL B 2 . ? 12.831 3.655 -0.106 1.00 0.00 ? 101 GAL A C2 7 HETATM 3845 C C3 . GAL B 2 . ? 11.861 3.561 -1.300 1.00 0.00 ? 101 GAL A C3 7 HETATM 3846 C C4 . GAL B 2 . ? 12.397 2.606 -2.386 1.00 0.00 ? 101 GAL A C4 7 HETATM 3847 C C5 . GAL B 2 . ? 12.764 1.226 -1.800 1.00 0.00 ? 101 GAL A C5 7 HETATM 3848 C C6 . GAL B 2 . ? 13.457 0.288 -2.800 1.00 0.00 ? 101 GAL A C6 7 HETATM 3849 O O2 . GAL B 2 . ? 12.280 4.545 0.909 1.00 0.00 ? 101 GAL A O2 7 HETATM 3850 O O3 . GAL B 2 . ? 11.670 4.875 -1.890 1.00 0.00 ? 101 GAL A O3 7 HETATM 3851 O O4 . GAL B 2 . ? 13.571 3.212 -2.977 1.00 0.00 ? 101 GAL A O4 7 HETATM 3852 O O5 . GAL B 2 . ? 13.638 1.390 -0.608 1.00 0.00 ? 101 GAL A O5 7 HETATM 3853 O O6 . GAL B 2 . ? 13.977 -0.845 -2.078 1.00 0.00 ? 101 GAL A O6 7 HETATM 3854 H H1 . GAL B 2 . ? 12.104 1.793 0.748 1.00 0.00 ? 101 GAL A H1 7 HETATM 3855 H H2 . GAL B 2 . ? 13.784 4.066 -0.440 1.00 0.00 ? 101 GAL A H2 7 HETATM 3856 H H3 . GAL B 2 . ? 10.895 3.191 -0.950 1.00 0.00 ? 101 GAL A H3 7 HETATM 3857 H H4 . GAL B 2 . ? 11.641 2.479 -3.162 1.00 0.00 ? 101 GAL A H4 7 HETATM 3858 H H5 . GAL B 2 . ? 11.842 0.748 -1.472 1.00 0.00 ? 101 GAL A H5 7 HETATM 3859 H H61 . GAL B 2 . ? 12.750 -0.051 -3.561 1.00 0.00 ? 101 GAL A H61 7 HETATM 3860 H H62 . GAL B 2 . ? 14.291 0.794 -3.291 1.00 0.00 ? 101 GAL A H62 7 HETATM 3861 H HO2 . GAL B 2 . ? 11.673 4.052 1.496 1.00 0.00 ? 101 GAL A HO2 7 HETATM 3862 H HO3 . GAL B 2 . ? 11.468 5.492 -1.169 1.00 0.00 ? 101 GAL A HO3 7 HETATM 3863 H HO4 . GAL B 2 . ? 13.335 4.128 -3.196 1.00 0.00 ? 101 GAL A HO4 7 HETATM 3864 H HO6 . GAL B 2 . ? 14.352 -0.486 -1.261 1.00 0.00 ? 101 GAL A HO6 7 ATOM 3865 N N . LYS A 1 1 ? -10.795 -4.154 4.769 1.00 0.00 ? 1 LYS A N 8 ATOM 3866 C CA . LYS A 1 1 ? -9.362 -3.757 4.750 1.00 0.00 ? 1 LYS A CA 8 ATOM 3867 C C . LYS A 1 1 ? -8.953 -3.272 3.351 1.00 0.00 ? 1 LYS A C 8 ATOM 3868 O O . LYS A 1 1 ? -9.068 -2.079 3.054 1.00 0.00 ? 1 LYS A O 8 ATOM 3869 C CB . LYS A 1 1 ? -8.458 -4.880 5.326 1.00 0.00 ? 1 LYS A CB 8 ATOM 3870 C CG . LYS A 1 1 ? -6.979 -4.473 5.466 1.00 0.00 ? 1 LYS A CG 8 ATOM 3871 C CD . LYS A 1 1 ? -6.057 -5.690 5.637 1.00 0.00 ? 1 LYS A CD 8 ATOM 3872 C CE . LYS A 1 1 ? -4.609 -5.233 5.858 1.00 0.00 ? 1 LYS A CE 8 ATOM 3873 N NZ . LYS A 1 1 ? -3.669 -6.382 5.895 1.00 0.00 ? 1 LYS A NZ 8 ATOM 3874 H H1 . LYS A 1 1 ? -11.080 -4.398 5.706 1.00 0.00 ? 1 LYS A H1 8 ATOM 3875 H H2 . LYS A 1 1 ? -11.379 -3.392 4.453 1.00 0.00 ? 1 LYS A H2 8 ATOM 3876 H H3 . LYS A 1 1 ? -10.958 -4.951 4.171 1.00 0.00 ? 1 LYS A H3 8 ATOM 3877 H HA . LYS A 1 1 ? -9.252 -2.892 5.406 1.00 0.00 ? 1 LYS A HA 8 ATOM 3878 H HB2 . LYS A 1 1 ? -8.825 -5.164 6.313 1.00 0.00 ? 1 LYS A HB2 8 ATOM 3879 H HB3 . LYS A 1 1 ? -8.530 -5.762 4.686 1.00 0.00 ? 1 LYS A HB3 8 ATOM 3880 H HG2 . LYS A 1 1 ? -6.659 -3.935 4.578 1.00 0.00 ? 1 LYS A HG2 8 ATOM 3881 H HG3 . LYS A 1 1 ? -6.874 -3.809 6.326 1.00 0.00 ? 1 LYS A HG3 8 ATOM 3882 H HD2 . LYS A 1 1 ? -6.386 -6.280 6.495 1.00 0.00 ? 1 LYS A HD2 8 ATOM 3883 H HD3 . LYS A 1 1 ? -6.109 -6.308 4.737 1.00 0.00 ? 1 LYS A HD3 8 ATOM 3884 H HE2 . LYS A 1 1 ? -4.321 -4.549 5.054 1.00 0.00 ? 1 LYS A HE2 8 ATOM 3885 H HE3 . LYS A 1 1 ? -4.562 -4.684 6.803 1.00 0.00 ? 1 LYS A HE3 8 ATOM 3886 H HZ1 . LYS A 1 1 ? -2.753 -6.094 6.211 1.00 0.00 ? 1 LYS A HZ1 8 ATOM 3887 H HZ2 . LYS A 1 1 ? -3.991 -7.111 6.515 1.00 0.00 ? 1 LYS A HZ2 8 ATOM 3888 H HZ3 . LYS A 1 1 ? -3.531 -6.788 4.968 1.00 0.00 ? 1 LYS A HZ3 8 ATOM 3889 N N . LEU A 1 2 ? -8.505 -4.182 2.479 1.00 0.00 ? 2 LEU A N 8 ATOM 3890 C CA . LEU A 1 2 ? -8.014 -3.947 1.113 1.00 0.00 ? 2 LEU A CA 8 ATOM 3891 C C . LEU A 1 2 ? -8.915 -4.663 0.070 1.00 0.00 ? 2 LEU A C 8 ATOM 3892 O O . LEU A 1 2 ? -9.627 -5.607 0.435 1.00 0.00 ? 2 LEU A O 8 ATOM 3893 C CB . LEU A 1 2 ? -6.552 -4.447 1.059 1.00 0.00 ? 2 LEU A CB 8 ATOM 3894 C CG . LEU A 1 2 ? -5.490 -3.334 1.072 1.00 0.00 ? 2 LEU A CG 8 ATOM 3895 C CD1 . LEU A 1 2 ? -5.527 -2.366 2.254 1.00 0.00 ? 2 LEU A CD1 8 ATOM 3896 C CD2 . LEU A 1 2 ? -4.109 -3.977 1.080 1.00 0.00 ? 2 LEU A CD2 8 ATOM 3897 H H . LEU A 1 2 ? -8.449 -5.139 2.790 1.00 0.00 ? 2 LEU A H 8 ATOM 3898 H HA . LEU A 1 2 ? -8.035 -2.881 0.904 1.00 0.00 ? 2 LEU A HA 8 ATOM 3899 H HB2 . LEU A 1 2 ? -6.360 -5.131 1.891 1.00 0.00 ? 2 LEU A HB2 8 ATOM 3900 H HB3 . LEU A 1 2 ? -6.416 -5.011 0.133 1.00 0.00 ? 2 LEU A HB3 8 ATOM 3901 H HG . LEU A 1 2 ? -5.610 -2.757 0.162 1.00 0.00 ? 2 LEU A HG 8 ATOM 3902 H HD11 . LEU A 1 2 ? -4.757 -1.604 2.117 1.00 0.00 ? 2 LEU A HD11 8 ATOM 3903 H HD12 . LEU A 1 2 ? -6.492 -1.868 2.309 1.00 0.00 ? 2 LEU A HD12 8 ATOM 3904 H HD13 . LEU A 1 2 ? -5.327 -2.897 3.181 1.00 0.00 ? 2 LEU A HD13 8 ATOM 3905 H HD21 . LEU A 1 2 ? -4.011 -4.628 0.218 1.00 0.00 ? 2 LEU A HD21 8 ATOM 3906 H HD22 . LEU A 1 2 ? -3.340 -3.214 1.025 1.00 0.00 ? 2 LEU A HD22 8 ATOM 3907 H HD23 . LEU A 1 2 ? -3.974 -4.560 1.992 1.00 0.00 ? 2 LEU A HD23 8 ATOM 3908 N N . PRO A 1 3 ? -8.905 -4.250 -1.218 1.00 0.00 ? 3 PRO A N 8 ATOM 3909 C CA . PRO A 1 3 ? -9.700 -4.881 -2.280 1.00 0.00 ? 3 PRO A CA 8 ATOM 3910 C C . PRO A 1 3 ? -9.199 -6.296 -2.653 1.00 0.00 ? 3 PRO A C 8 ATOM 3911 O O . PRO A 1 3 ? -8.108 -6.694 -2.230 1.00 0.00 ? 3 PRO A O 8 ATOM 3912 C CB . PRO A 1 3 ? -9.639 -3.925 -3.485 1.00 0.00 ? 3 PRO A CB 8 ATOM 3913 C CG . PRO A 1 3 ? -9.041 -2.633 -2.936 1.00 0.00 ? 3 PRO A CG 8 ATOM 3914 C CD . PRO A 1 3 ? -8.190 -3.112 -1.771 1.00 0.00 ? 3 PRO A CD 8 ATOM 3915 H HA . PRO A 1 3 ? -10.734 -4.946 -1.937 1.00 0.00 ? 3 PRO A HA 8 ATOM 3916 H HB2 . PRO A 1 3 ? -8.982 -4.326 -4.257 1.00 0.00 ? 3 PRO A HB2 8 ATOM 3917 H HB3 . PRO A 1 3 ? -10.634 -3.746 -3.899 1.00 0.00 ? 3 PRO A HB3 8 ATOM 3918 H HG2 . PRO A 1 3 ? -8.437 -2.127 -3.687 1.00 0.00 ? 3 PRO A HG2 8 ATOM 3919 H HG3 . PRO A 1 3 ? -9.836 -1.983 -2.568 1.00 0.00 ? 3 PRO A HG3 8 ATOM 3920 H HD2 . PRO A 1 3 ? -7.219 -3.443 -2.142 1.00 0.00 ? 3 PRO A HD2 8 ATOM 3921 H HD3 . PRO A 1 3 ? -8.066 -2.301 -1.058 1.00 0.00 ? 3 PRO A HD3 8 ATOM 3922 N N . PRO A 1 4 ? -9.946 -7.062 -3.477 1.00 0.00 ? 4 PRO A N 8 ATOM 3923 C CA . PRO A 1 4 ? -9.572 -8.422 -3.877 1.00 0.00 ? 4 PRO A CA 8 ATOM 3924 C C . PRO A 1 4 ? -8.159 -8.528 -4.478 1.00 0.00 ? 4 PRO A C 8 ATOM 3925 O O . PRO A 1 4 ? -7.785 -7.776 -5.382 1.00 0.00 ? 4 PRO A O 8 ATOM 3926 C CB . PRO A 1 4 ? -10.653 -8.874 -4.866 1.00 0.00 ? 4 PRO A CB 8 ATOM 3927 C CG . PRO A 1 4 ? -11.877 -8.076 -4.422 1.00 0.00 ? 4 PRO A CG 8 ATOM 3928 C CD . PRO A 1 4 ? -11.269 -6.741 -3.997 1.00 0.00 ? 4 PRO A CD 8 ATOM 3929 H HA . PRO A 1 4 ? -9.631 -9.055 -2.992 1.00 0.00 ? 4 PRO A HA 8 ATOM 3930 H HB2 . PRO A 1 4 ? -10.384 -8.582 -5.883 1.00 0.00 ? 4 PRO A HB2 8 ATOM 3931 H HB3 . PRO A 1 4 ? -10.828 -9.949 -4.808 1.00 0.00 ? 4 PRO A HB3 8 ATOM 3932 H HG2 . PRO A 1 4 ? -12.598 -7.953 -5.232 1.00 0.00 ? 4 PRO A HG2 8 ATOM 3933 H HG3 . PRO A 1 4 ? -12.340 -8.561 -3.560 1.00 0.00 ? 4 PRO A HG3 8 ATOM 3934 H HD2 . PRO A 1 4 ? -11.168 -6.090 -4.867 1.00 0.00 ? 4 PRO A HD2 8 ATOM 3935 H HD3 . PRO A 1 4 ? -11.902 -6.273 -3.242 1.00 0.00 ? 4 PRO A HD3 8 ATOM 3936 N N . GLY A 1 5 ? -7.369 -9.474 -3.962 1.00 0.00 ? 5 GLY A N 8 ATOM 3937 C CA . GLY A 1 5 ? -5.986 -9.747 -4.375 1.00 0.00 ? 5 GLY A CA 8 ATOM 3938 C C . GLY A 1 5 ? -4.919 -8.766 -3.860 1.00 0.00 ? 5 GLY A C 8 ATOM 3939 O O . GLY A 1 5 ? -3.732 -9.073 -3.969 1.00 0.00 ? 5 GLY A O 8 ATOM 3940 H H . GLY A 1 5 ? -7.750 -10.046 -3.221 1.00 0.00 ? 5 GLY A H 8 ATOM 3941 H HA2 . GLY A 1 5 ? -5.714 -10.742 -4.016 1.00 0.00 ? 5 GLY A HA2 8 ATOM 3942 H HA3 . GLY A 1 5 ? -5.936 -9.749 -5.466 1.00 0.00 ? 5 GLY A HA3 8 ATOM 3943 N N . TRP A 1 6 ? -5.294 -7.626 -3.272 1.00 0.00 ? 6 TRP A N 8 ATOM 3944 C CA . TRP A 1 6 ? -4.361 -6.692 -2.628 1.00 0.00 ? 6 TRP A CA 8 ATOM 3945 C C . TRP A 1 6 ? -3.970 -7.091 -1.195 1.00 0.00 ? 6 TRP A C 8 ATOM 3946 O O . TRP A 1 6 ? -4.797 -7.591 -0.429 1.00 0.00 ? 6 TRP A O 8 ATOM 3947 C CB . TRP A 1 6 ? -4.922 -5.266 -2.638 1.00 0.00 ? 6 TRP A CB 8 ATOM 3948 C CG . TRP A 1 6 ? -5.003 -4.576 -3.964 1.00 0.00 ? 6 TRP A CG 8 ATOM 3949 C CD1 . TRP A 1 6 ? -6.041 -4.657 -4.825 1.00 0.00 ? 6 TRP A CD1 8 ATOM 3950 C CD2 . TRP A 1 6 ? -3.944 -3.879 -4.692 1.00 0.00 ? 6 TRP A CD2 8 ATOM 3951 N NE1 . TRP A 1 6 ? -5.754 -3.944 -5.971 1.00 0.00 ? 6 TRP A NE1 8 ATOM 3952 C CE2 . TRP A 1 6 ? -4.457 -3.481 -5.965 1.00 0.00 ? 6 TRP A CE2 8 ATOM 3953 C CE3 . TRP A 1 6 ? -2.610 -3.518 -4.398 1.00 0.00 ? 6 TRP A CE3 8 ATOM 3954 C CZ2 . TRP A 1 6 ? -3.683 -2.784 -6.903 1.00 0.00 ? 6 TRP A CZ2 8 ATOM 3955 C CZ3 . TRP A 1 6 ? -1.826 -2.808 -5.329 1.00 0.00 ? 6 TRP A CZ3 8 ATOM 3956 C CH2 . TRP A 1 6 ? -2.358 -2.444 -6.580 1.00 0.00 ? 6 TRP A CH2 8 ATOM 3957 H H . TRP A 1 6 ? -6.284 -7.436 -3.177 1.00 0.00 ? 6 TRP A H 8 ATOM 3958 H HA . TRP A 1 6 ? -3.441 -6.668 -3.209 1.00 0.00 ? 6 TRP A HA 8 ATOM 3959 H HB2 . TRP A 1 6 ? -5.912 -5.276 -2.182 1.00 0.00 ? 6 TRP A HB2 8 ATOM 3960 H HB3 . TRP A 1 6 ? -4.271 -4.648 -2.016 1.00 0.00 ? 6 TRP A HB3 8 ATOM 3961 H HD1 . TRP A 1 6 ? -6.971 -5.176 -4.626 1.00 0.00 ? 6 TRP A HD1 8 ATOM 3962 H HE1 . TRP A 1 6 ? -6.450 -3.758 -6.704 1.00 0.00 ? 6 TRP A HE1 8 ATOM 3963 H HE3 . TRP A 1 6 ? -2.195 -3.787 -3.436 1.00 0.00 ? 6 TRP A HE3 8 ATOM 3964 H HZ2 . TRP A 1 6 ? -4.106 -2.521 -7.862 1.00 0.00 ? 6 TRP A HZ2 8 ATOM 3965 H HZ3 . TRP A 1 6 ? -0.807 -2.540 -5.084 1.00 0.00 ? 6 TRP A HZ3 8 ATOM 3966 H HH2 . TRP A 1 6 ? -1.747 -1.904 -7.292 1.00 0.00 ? 6 TRP A HH2 8 ATOM 3967 N N . GLU A 1 7 ? -2.726 -6.800 -0.806 1.00 0.00 ? 7 GLU A N 8 ATOM 3968 C CA . GLU A 1 7 ? -2.218 -6.902 0.567 1.00 0.00 ? 7 GLU A CA 8 ATOM 3969 C C . GLU A 1 7 ? -1.098 -5.869 0.835 1.00 0.00 ? 7 GLU A C 8 ATOM 3970 O O . GLU A 1 7 ? -0.368 -5.470 -0.079 1.00 0.00 ? 7 GLU A O 8 ATOM 3971 C CB . GLU A 1 7 ? -1.785 -8.359 0.841 1.00 0.00 ? 7 GLU A CB 8 ATOM 3972 C CG . GLU A 1 7 ? -1.099 -8.701 2.179 1.00 0.00 ? 7 GLU A CG 8 ATOM 3973 C CD . GLU A 1 7 ? -1.815 -8.267 3.479 1.00 0.00 ? 7 GLU A CD 8 ATOM 3974 O OE1 . GLU A 1 7 ? -1.512 -8.845 4.550 1.00 0.00 ? 7 GLU A OE1 8 ATOM 3975 O OE2 . GLU A 1 7 ? -2.651 -7.330 3.479 1.00 0.00 ? 7 GLU A OE2 8 ATOM 3976 H H . GLU A 1 7 ? -2.073 -6.460 -1.506 1.00 0.00 ? 7 GLU A H 8 ATOM 3977 H HA . GLU A 1 7 ? -3.040 -6.663 1.240 1.00 0.00 ? 7 GLU A HA 8 ATOM 3978 H HB2 . GLU A 1 7 ? -2.663 -9.001 0.742 1.00 0.00 ? 7 GLU A HB2 8 ATOM 3979 H HB3 . GLU A 1 7 ? -1.094 -8.654 0.049 1.00 0.00 ? 7 GLU A HB3 8 ATOM 3980 H HG2 . GLU A 1 7 ? -0.952 -9.784 2.202 1.00 0.00 ? 7 GLU A HG2 8 ATOM 3981 H HG3 . GLU A 1 7 ? -0.105 -8.255 2.167 1.00 0.00 ? 7 GLU A HG3 8 ATOM 3982 N N . LYS A 1 8 ? -0.952 -5.420 2.090 1.00 0.00 ? 8 LYS A N 8 ATOM 3983 C CA . LYS A 1 8 ? 0.161 -4.552 2.524 1.00 0.00 ? 8 LYS A CA 8 ATOM 3984 C C . LYS A 1 8 ? 1.522 -5.247 2.441 1.00 0.00 ? 8 LYS A C 8 ATOM 3985 O O . LYS A 1 8 ? 1.641 -6.451 2.687 1.00 0.00 ? 8 LYS A O 8 ATOM 3986 C CB . LYS A 1 8 ? -0.077 -3.975 3.930 1.00 0.00 ? 8 LYS A CB 8 ATOM 3987 C CG . LYS A 1 8 ? -0.962 -2.723 3.859 1.00 0.00 ? 8 LYS A CG 8 ATOM 3988 C CD . LYS A 1 8 ? -1.236 -2.103 5.237 1.00 0.00 ? 8 LYS A CD 8 ATOM 3989 C CE . LYS A 1 8 ? 0.030 -1.496 5.863 1.00 0.00 ? 8 LYS A CE 8 ATOM 3990 N NZ . LYS A 1 8 ? -0.265 -0.852 7.169 1.00 0.00 ? 8 LYS A NZ 8 ATOM 3991 H H . LYS A 1 8 ? -1.578 -5.801 2.794 1.00 0.00 ? 8 LYS A H 8 ATOM 3992 H HA . LYS A 1 8 ? 0.215 -3.710 1.829 1.00 0.00 ? 8 LYS A HA 8 ATOM 3993 H HB2 . LYS A 1 8 ? -0.536 -4.730 4.571 1.00 0.00 ? 8 LYS A HB2 8 ATOM 3994 H HB3 . LYS A 1 8 ? 0.884 -3.693 4.364 1.00 0.00 ? 8 LYS A HB3 8 ATOM 3995 H HG2 . LYS A 1 8 ? -0.469 -1.976 3.233 1.00 0.00 ? 8 LYS A HG2 8 ATOM 3996 H HG3 . LYS A 1 8 ? -1.911 -2.997 3.397 1.00 0.00 ? 8 LYS A HG3 8 ATOM 3997 H HD2 . LYS A 1 8 ? -1.980 -1.314 5.115 1.00 0.00 ? 8 LYS A HD2 8 ATOM 3998 H HD3 . LYS A 1 8 ? -1.649 -2.865 5.901 1.00 0.00 ? 8 LYS A HD3 8 ATOM 3999 H HE2 . LYS A 1 8 ? 0.781 -2.280 6.001 1.00 0.00 ? 8 LYS A HE2 8 ATOM 4000 H HE3 . LYS A 1 8 ? 0.447 -0.758 5.172 1.00 0.00 ? 8 LYS A HE3 8 ATOM 4001 H HZ1 . LYS A 1 8 ? -0.641 -1.519 7.830 1.00 0.00 ? 8 LYS A HZ1 8 ATOM 4002 H HZ2 . LYS A 1 8 ? 0.571 -0.456 7.577 1.00 0.00 ? 8 LYS A HZ2 8 ATOM 4003 H HZ3 . LYS A 1 8 ? -0.938 -0.104 7.065 1.00 0.00 ? 8 LYS A HZ3 8 ATOM 4004 N N . ARG A 1 9 ? 2.556 -4.480 2.102 1.00 0.00 ? 9 ARG A N 8 ATOM 4005 C CA . ARG A 1 9 ? 3.939 -4.930 1.858 1.00 0.00 ? 9 ARG A CA 8 ATOM 4006 C C . ARG A 1 9 ? 4.939 -3.901 2.405 1.00 0.00 ? 9 ARG A C 8 ATOM 4007 O O . ARG A 1 9 ? 4.563 -2.770 2.717 1.00 0.00 ? 9 ARG A O 8 ATOM 4008 C CB . ARG A 1 9 ? 4.106 -5.156 0.337 1.00 0.00 ? 9 ARG A CB 8 ATOM 4009 C CG . ARG A 1 9 ? 4.982 -6.368 -0.035 1.00 0.00 ? 9 ARG A CG 8 ATOM 4010 C CD . ARG A 1 9 ? 4.209 -7.693 -0.143 1.00 0.00 ? 9 ARG A CD 8 ATOM 4011 N NE . ARG A 1 9 ? 3.449 -8.010 1.081 1.00 0.00 ? 9 ARG A NE 8 ATOM 4012 C CZ . ARG A 1 9 ? 3.468 -9.108 1.813 1.00 0.00 ? 9 ARG A CZ 8 ATOM 4013 N NH1 . ARG A 1 9 ? 2.704 -9.169 2.864 1.00 0.00 ? 9 ARG A NH1 8 ATOM 4014 N NH2 . ARG A 1 9 ? 4.219 -10.137 1.541 1.00 0.00 ? 9 ARG A NH2 8 ATOM 4015 H H . ARG A 1 9 ? 2.356 -3.495 1.941 1.00 0.00 ? 9 ARG A H 8 ATOM 4016 H HA . ARG A 1 9 ? 4.120 -5.860 2.399 1.00 0.00 ? 9 ARG A HA 8 ATOM 4017 H HB2 . ARG A 1 9 ? 3.132 -5.285 -0.138 1.00 0.00 ? 9 ARG A HB2 8 ATOM 4018 H HB3 . ARG A 1 9 ? 4.542 -4.256 -0.095 1.00 0.00 ? 9 ARG A HB3 8 ATOM 4019 H HG2 . ARG A 1 9 ? 5.414 -6.176 -1.018 1.00 0.00 ? 9 ARG A HG2 8 ATOM 4020 H HG3 . ARG A 1 9 ? 5.794 -6.476 0.688 1.00 0.00 ? 9 ARG A HG3 8 ATOM 4021 H HD2 . ARG A 1 9 ? 3.506 -7.617 -0.977 1.00 0.00 ? 9 ARG A HD2 8 ATOM 4022 H HD3 . ARG A 1 9 ? 4.926 -8.485 -0.373 1.00 0.00 ? 9 ARG A HD3 8 ATOM 4023 H HE . ARG A 1 9 ? 2.779 -7.318 1.391 1.00 0.00 ? 9 ARG A HE 8 ATOM 4024 H HH11 . ARG A 1 9 ? 2.134 -8.363 3.093 1.00 0.00 ? 9 ARG A HH11 8 ATOM 4025 H HH12 . ARG A 1 9 ? 2.696 -9.989 3.447 1.00 0.00 ? 9 ARG A HH12 8 ATOM 4026 H HH21 . ARG A 1 9 ? 4.816 -10.113 0.731 1.00 0.00 ? 9 ARG A HH21 8 ATOM 4027 H HH22 . ARG A 1 9 ? 4.199 -10.952 2.132 1.00 0.00 ? 9 ARG A HH22 8 ATOM 4028 N N . MET A 1 10 ? 6.215 -4.272 2.533 1.00 0.00 ? 10 MET A N 8 ATOM 4029 C CA . MET A 1 10 ? 7.244 -3.400 3.116 1.00 0.00 ? 10 MET A CA 8 ATOM 4030 C C . MET A 1 10 ? 8.653 -3.747 2.615 1.00 0.00 ? 10 MET A C 8 ATOM 4031 O O . MET A 1 10 ? 9.030 -4.919 2.519 1.00 0.00 ? 10 MET A O 8 ATOM 4032 C CB . MET A 1 10 ? 7.177 -3.477 4.654 1.00 0.00 ? 10 MET A CB 8 ATOM 4033 C CG . MET A 1 10 ? 8.007 -2.384 5.340 1.00 0.00 ? 10 MET A CG 8 ATOM 4034 S SD . MET A 1 10 ? 8.061 -2.479 7.150 1.00 0.00 ? 10 MET A SD 8 ATOM 4035 C CE . MET A 1 10 ? 9.216 -3.864 7.359 1.00 0.00 ? 10 MET A CE 8 ATOM 4036 H H . MET A 1 10 ? 6.479 -5.206 2.258 1.00 0.00 ? 10 MET A H 8 ATOM 4037 H HA . MET A 1 10 ? 7.029 -2.375 2.816 1.00 0.00 ? 10 MET A HA 8 ATOM 4038 H HB2 . MET A 1 10 ? 6.142 -3.364 4.979 1.00 0.00 ? 10 MET A HB2 8 ATOM 4039 H HB3 . MET A 1 10 ? 7.529 -4.458 4.976 1.00 0.00 ? 10 MET A HB3 8 ATOM 4040 H HG2 . MET A 1 10 ? 9.030 -2.409 4.969 1.00 0.00 ? 10 MET A HG2 8 ATOM 4041 H HG3 . MET A 1 10 ? 7.576 -1.419 5.074 1.00 0.00 ? 10 MET A HG3 8 ATOM 4042 H HE1 . MET A 1 10 ? 9.405 -4.025 8.421 1.00 0.00 ? 10 MET A HE1 8 ATOM 4043 H HE2 . MET A 1 10 ? 8.791 -4.772 6.932 1.00 0.00 ? 10 MET A HE2 8 ATOM 4044 H HE3 . MET A 1 10 ? 10.158 -3.637 6.859 1.00 0.00 ? 10 MET A HE3 8 ATOM 4045 N N . PHE A 1 11 ? 9.430 -2.711 2.301 1.00 0.00 ? 11 PHE A N 8 ATOM 4046 C CA . PHE A 1 11 ? 10.843 -2.777 1.925 1.00 0.00 ? 11 PHE A CA 8 ATOM 4047 C C . PHE A 1 11 ? 11.821 -3.046 3.084 1.00 0.00 ? 11 PHE A C 8 ATOM 4048 O O . PHE A 1 11 ? 11.498 -2.799 4.249 1.00 0.00 ? 11 PHE A O 8 ATOM 4049 C CB . PHE A 1 11 ? 11.212 -1.499 1.157 1.00 0.00 ? 11 PHE A CB 8 ATOM 4050 C CG . PHE A 1 11 ? 10.583 -1.361 -0.215 1.00 0.00 ? 11 PHE A CG 8 ATOM 4051 C CD1 . PHE A 1 11 ? 9.577 -0.397 -0.424 1.00 0.00 ? 11 PHE A CD1 8 ATOM 4052 C CD2 . PHE A 1 11 ? 11.012 -2.165 -1.288 1.00 0.00 ? 11 PHE A CD2 8 ATOM 4053 C CE1 . PHE A 1 11 ? 9.007 -0.234 -1.697 1.00 0.00 ? 11 PHE A CE1 8 ATOM 4054 C CE2 . PHE A 1 11 ? 10.438 -2.004 -2.563 1.00 0.00 ? 11 PHE A CE2 8 ATOM 4055 C CZ . PHE A 1 11 ? 9.436 -1.037 -2.768 1.00 0.00 ? 11 PHE A CZ 8 ATOM 4056 H H . PHE A 1 11 ? 9.032 -1.785 2.412 1.00 0.00 ? 11 PHE A H 8 ATOM 4057 H HA . PHE A 1 11 ? 10.963 -3.612 1.233 1.00 0.00 ? 11 PHE A HA 8 ATOM 4058 H HB2 . PHE A 1 11 ? 10.908 -0.646 1.764 1.00 0.00 ? 11 PHE A HB2 8 ATOM 4059 H HB3 . PHE A 1 11 ? 12.296 -1.460 1.023 1.00 0.00 ? 11 PHE A HB3 8 ATOM 4060 H HD1 . PHE A 1 11 ? 9.233 0.219 0.394 1.00 0.00 ? 11 PHE A HD1 8 ATOM 4061 H HD2 . PHE A 1 11 ? 11.787 -2.904 -1.136 1.00 0.00 ? 11 PHE A HD2 8 ATOM 4062 H HE1 . PHE A 1 11 ? 8.224 0.497 -1.841 1.00 0.00 ? 11 PHE A HE1 8 ATOM 4063 H HE2 . PHE A 1 11 ? 10.766 -2.625 -3.386 1.00 0.00 ? 11 PHE A HE2 8 ATOM 4064 H HZ . PHE A 1 11 ? 8.989 -0.919 -3.747 1.00 0.00 ? 11 PHE A HZ 8 ATOM 4065 N N . ALA A 1 12 ? 13.047 -3.487 2.779 1.00 0.00 ? 12 ALA A N 8 ATOM 4066 C CA . ALA A 1 12 ? 14.094 -3.756 3.778 1.00 0.00 ? 12 ALA A CA 8 ATOM 4067 C C . ALA A 1 12 ? 14.543 -2.505 4.574 1.00 0.00 ? 12 ALA A C 8 ATOM 4068 O O . ALA A 1 12 ? 15.047 -2.628 5.694 1.00 0.00 ? 12 ALA A O 8 ATOM 4069 C CB . ALA A 1 12 ? 15.279 -4.403 3.050 1.00 0.00 ? 12 ALA A CB 8 ATOM 4070 H H . ALA A 1 12 ? 13.264 -3.671 1.809 1.00 0.00 ? 12 ALA A H 8 ATOM 4071 H HA . ALA A 1 12 ? 13.704 -4.476 4.499 1.00 0.00 ? 12 ALA A HA 8 ATOM 4072 H HB1 . ALA A 1 12 ? 14.953 -5.311 2.540 1.00 0.00 ? 12 ALA A HB1 8 ATOM 4073 H HB2 . ALA A 1 12 ? 15.696 -3.707 2.318 1.00 0.00 ? 12 ALA A HB2 8 ATOM 4074 H HB3 . ALA A 1 12 ? 16.054 -4.665 3.771 1.00 0.00 ? 12 ALA A HB3 8 ATOM 4075 N N . ASN A 1 13 ? 14.335 -1.304 4.022 1.00 0.00 ? 13 ASN A N 8 ATOM 4076 C CA . ASN A 1 13 ? 14.562 -0.008 4.684 1.00 0.00 ? 13 ASN A CA 8 ATOM 4077 C C . ASN A 1 13 ? 13.440 0.414 5.669 1.00 0.00 ? 13 ASN A C 8 ATOM 4078 O O . ASN A 1 13 ? 13.574 1.439 6.343 1.00 0.00 ? 13 ASN A O 8 ATOM 4079 C CB . ASN A 1 13 ? 14.805 1.069 3.601 1.00 0.00 ? 13 ASN A CB 8 ATOM 4080 C CG . ASN A 1 13 ? 13.650 1.242 2.622 1.00 0.00 ? 13 ASN A CG 8 ATOM 4081 O OD1 . ASN A 1 13 ? 12.534 0.811 2.889 1.00 0.00 ? 13 ASN A OD1 8 ATOM 4082 N ND2 . ASN A 1 13 ? 13.914 1.868 1.485 1.00 0.00 ? 13 ASN A ND2 8 ATOM 4083 H H . ASN A 1 13 ? 13.922 -1.289 3.102 1.00 0.00 ? 13 ASN A H 8 ATOM 4084 H HA . ASN A 1 13 ? 15.473 -0.085 5.280 1.00 0.00 ? 13 ASN A HA 8 ATOM 4085 H HB2 . ASN A 1 13 ? 14.991 2.032 4.080 1.00 0.00 ? 13 ASN A HB2 8 ATOM 4086 H HB3 . ASN A 1 13 ? 15.695 0.790 3.034 1.00 0.00 ? 13 ASN A HB3 8 ATOM 4087 H HD21 . ASN A 1 13 ? 14.848 2.215 1.330 1.00 0.00 ? 13 ASN A HD21 8 ATOM 4088 N N . GLY A 1 14 ? 12.339 -0.346 5.759 1.00 0.00 ? 14 GLY A N 8 ATOM 4089 C CA . GLY A 1 14 ? 11.184 -0.049 6.617 1.00 0.00 ? 14 GLY A CA 8 ATOM 4090 C C . GLY A 1 14 ? 10.088 0.821 5.978 1.00 0.00 ? 14 GLY A C 8 ATOM 4091 O O . GLY A 1 14 ? 9.237 1.344 6.703 1.00 0.00 ? 14 GLY A O 8 ATOM 4092 H H . GLY A 1 14 ? 12.286 -1.175 5.179 1.00 0.00 ? 14 GLY A H 8 ATOM 4093 H HA2 . GLY A 1 14 ? 10.722 -0.999 6.894 1.00 0.00 ? 14 GLY A HA2 8 ATOM 4094 H HA3 . GLY A 1 14 ? 11.524 0.447 7.529 1.00 0.00 ? 14 GLY A HA3 8 ATOM 4095 N N . THR A 1 15 ? 10.069 0.976 4.649 1.00 0.00 ? 15 THR A N 8 ATOM 4096 C CA . THR A 1 15 ? 9.067 1.786 3.924 1.00 0.00 ? 15 THR A CA 8 ATOM 4097 C C . THR A 1 15 ? 7.940 0.858 3.463 1.00 0.00 ? 15 THR A C 8 ATOM 4098 O O . THR A 1 15 ? 8.186 -0.178 2.845 1.00 0.00 ? 15 THR A O 8 ATOM 4099 C CB . THR A 1 15 ? 9.717 2.452 2.697 1.00 0.00 ? 15 THR A CB 8 ATOM 4100 O OG1 . THR A 1 15 ? 10.584 3.477 3.134 1.00 0.00 ? 15 THR A OG1 8 ATOM 4101 C CG2 . THR A 1 15 ? 8.725 3.091 1.720 1.00 0.00 ? 15 THR A CG2 8 ATOM 4102 H H . THR A 1 15 ? 10.828 0.579 4.109 1.00 0.00 ? 15 THR A H 8 ATOM 4103 H HA . THR A 1 15 ? 8.657 2.564 4.568 1.00 0.00 ? 15 THR A HA 8 ATOM 4104 H HB . THR A 1 15 ? 10.291 1.708 2.148 1.00 0.00 ? 15 THR A HB 8 ATOM 4105 H HG1 . THR A 1 15 ? 11.131 3.727 2.364 1.00 0.00 ? 15 THR A HG1 8 ATOM 4106 H HG21 . THR A 1 15 ? 8.138 2.317 1.221 1.00 0.00 ? 15 THR A HG21 8 ATOM 4107 H HG22 . THR A 1 15 ? 8.058 3.769 2.251 1.00 0.00 ? 15 THR A HG22 8 ATOM 4108 H HG23 . THR A 1 15 ? 9.267 3.643 0.952 1.00 0.00 ? 15 THR A HG23 8 ATOM 4109 N N . VAL A 1 16 ? 6.690 1.241 3.741 1.00 0.00 ? 16 VAL A N 8 ATOM 4110 C CA . VAL A 1 16 ? 5.481 0.435 3.475 1.00 0.00 ? 16 VAL A CA 8 ATOM 4111 C C . VAL A 1 16 ? 4.889 0.836 2.119 1.00 0.00 ? 16 VAL A C 8 ATOM 4112 O O . VAL A 1 16 ? 4.913 2.007 1.727 1.00 0.00 ? 16 VAL A O 8 ATOM 4113 C CB . VAL A 1 16 ? 4.445 0.647 4.604 1.00 0.00 ? 16 VAL A CB 8 ATOM 4114 C CG1 . VAL A 1 16 ? 3.034 0.125 4.297 1.00 0.00 ? 16 VAL A CG1 8 ATOM 4115 C CG2 . VAL A 1 16 ? 4.907 -0.056 5.887 1.00 0.00 ? 16 VAL A CG2 8 ATOM 4116 H H . VAL A 1 16 ? 6.561 2.127 4.210 1.00 0.00 ? 16 VAL A H 8 ATOM 4117 H HA . VAL A 1 16 ? 5.739 -0.623 3.439 1.00 0.00 ? 16 VAL A HA 8 ATOM 4118 H HB . VAL A 1 16 ? 4.363 1.716 4.808 1.00 0.00 ? 16 VAL A HB 8 ATOM 4119 H HG11 . VAL A 1 16 ? 2.595 0.676 3.465 1.00 0.00 ? 16 VAL A HG11 8 ATOM 4120 H HG12 . VAL A 1 16 ? 3.068 -0.938 4.053 1.00 0.00 ? 16 VAL A HG12 8 ATOM 4121 H HG13 . VAL A 1 16 ? 2.394 0.274 5.166 1.00 0.00 ? 16 VAL A HG13 8 ATOM 4122 H HG21 . VAL A 1 16 ? 4.971 -1.132 5.719 1.00 0.00 ? 16 VAL A HG21 8 ATOM 4123 H HG22 . VAL A 1 16 ? 5.883 0.320 6.195 1.00 0.00 ? 16 VAL A HG22 8 ATOM 4124 H HG23 . VAL A 1 16 ? 4.192 0.132 6.688 1.00 0.00 ? 16 VAL A HG23 8 ATOM 4125 N N . TYR A 1 17 ? 4.336 -0.150 1.414 1.00 0.00 ? 17 TYR A N 8 ATOM 4126 C CA . TYR A 1 17 ? 3.633 -0.002 0.138 1.00 0.00 ? 17 TYR A CA 8 ATOM 4127 C C . TYR A 1 17 ? 2.519 -1.064 0.040 1.00 0.00 ? 17 TYR A C 8 ATOM 4128 O O . TYR A 1 17 ? 2.302 -1.860 0.958 1.00 0.00 ? 17 TYR A O 8 ATOM 4129 C CB . TYR A 1 17 ? 4.649 -0.104 -1.018 1.00 0.00 ? 17 TYR A CB 8 ATOM 4130 C CG . TYR A 1 17 ? 5.332 -1.446 -1.238 1.00 0.00 ? 17 TYR A CG 8 ATOM 4131 C CD1 . TYR A 1 17 ? 6.436 -1.816 -0.444 1.00 0.00 ? 17 TYR A CD1 8 ATOM 4132 C CD2 . TYR A 1 17 ? 4.930 -2.276 -2.306 1.00 0.00 ? 17 TYR A CD2 8 ATOM 4133 C CE1 . TYR A 1 17 ? 7.165 -2.984 -0.743 1.00 0.00 ? 17 TYR A CE1 8 ATOM 4134 C CE2 . TYR A 1 17 ? 5.651 -3.449 -2.602 1.00 0.00 ? 17 TYR A CE2 8 ATOM 4135 C CZ . TYR A 1 17 ? 6.785 -3.793 -1.835 1.00 0.00 ? 17 TYR A CZ 8 ATOM 4136 O OH . TYR A 1 17 ? 7.509 -4.900 -2.152 1.00 0.00 ? 17 TYR A OH 8 ATOM 4137 H H . TYR A 1 17 ? 4.324 -1.077 1.830 1.00 0.00 ? 17 TYR A H 8 ATOM 4138 H HA . TYR A 1 17 ? 3.158 0.979 0.092 1.00 0.00 ? 17 TYR A HA 8 ATOM 4139 H HB2 . TYR A 1 17 ? 4.148 0.179 -1.942 1.00 0.00 ? 17 TYR A HB2 8 ATOM 4140 H HB3 . TYR A 1 17 ? 5.424 0.647 -0.858 1.00 0.00 ? 17 TYR A HB3 8 ATOM 4141 H HD1 . TYR A 1 17 ? 6.760 -1.175 0.365 1.00 0.00 ? 17 TYR A HD1 8 ATOM 4142 H HD2 . TYR A 1 17 ? 4.085 -2.001 -2.926 1.00 0.00 ? 17 TYR A HD2 8 ATOM 4143 H HE1 . TYR A 1 17 ? 8.037 -3.240 -0.163 1.00 0.00 ? 17 TYR A HE1 8 ATOM 4144 H HE2 . TYR A 1 17 ? 5.356 -4.080 -3.428 1.00 0.00 ? 17 TYR A HE2 8 ATOM 4145 H HH . TYR A 1 17 ? 8.313 -4.962 -1.622 1.00 0.00 ? 17 TYR A HH 8 ATOM 4146 N N . TYR A 1 18 ? 1.782 -1.064 -1.067 1.00 0.00 ? 18 TYR A N 8 ATOM 4147 C CA . TYR A 1 18 ? 0.636 -1.940 -1.315 1.00 0.00 ? 18 TYR A CA 8 ATOM 4148 C C . TYR A 1 18 ? 0.920 -2.779 -2.566 1.00 0.00 ? 18 TYR A C 8 ATOM 4149 O O . TYR A 1 18 ? 1.447 -2.268 -3.559 1.00 0.00 ? 18 TYR A O 8 ATOM 4150 C CB . TYR A 1 18 ? -0.621 -1.075 -1.481 1.00 0.00 ? 18 TYR A CB 8 ATOM 4151 C CG . TYR A 1 18 ? -0.863 -0.125 -0.318 1.00 0.00 ? 18 TYR A CG 8 ATOM 4152 C CD1 . TYR A 1 18 ? -0.344 1.186 -0.347 1.00 0.00 ? 18 TYR A CD1 8 ATOM 4153 C CD2 . TYR A 1 18 ? -1.566 -0.568 0.818 1.00 0.00 ? 18 TYR A CD2 8 ATOM 4154 C CE1 . TYR A 1 18 ? -0.507 2.042 0.759 1.00 0.00 ? 18 TYR A CE1 8 ATOM 4155 C CE2 . TYR A 1 18 ? -1.746 0.287 1.921 1.00 0.00 ? 18 TYR A CE2 8 ATOM 4156 C CZ . TYR A 1 18 ? -1.210 1.592 1.899 1.00 0.00 ? 18 TYR A CZ 8 ATOM 4157 O OH . TYR A 1 18 ? -1.373 2.408 2.975 1.00 0.00 ? 18 TYR A OH 8 ATOM 4158 H H . TYR A 1 18 ? 1.996 -0.378 -1.784 1.00 0.00 ? 18 TYR A H 8 ATOM 4159 H HA . TYR A 1 18 ? 0.482 -2.614 -0.473 1.00 0.00 ? 18 TYR A HA 8 ATOM 4160 H HB2 . TYR A 1 18 ? -0.531 -0.487 -2.399 1.00 0.00 ? 18 TYR A HB2 8 ATOM 4161 H HB3 . TYR A 1 18 ? -1.483 -1.739 -1.584 1.00 0.00 ? 18 TYR A HB3 8 ATOM 4162 H HD1 . TYR A 1 18 ? 0.193 1.533 -1.219 1.00 0.00 ? 18 TYR A HD1 8 ATOM 4163 H HD2 . TYR A 1 18 ? -1.954 -1.574 0.851 1.00 0.00 ? 18 TYR A HD2 8 ATOM 4164 H HE1 . TYR A 1 18 ? -0.095 3.040 0.736 1.00 0.00 ? 18 TYR A HE1 8 ATOM 4165 H HE2 . TYR A 1 18 ? -2.280 -0.057 2.795 1.00 0.00 ? 18 TYR A HE2 8 ATOM 4166 H HH . TYR A 1 18 ? -0.941 3.260 2.844 1.00 0.00 ? 18 TYR A HH 8 ATOM 4167 N N . PHE A 1 19 ? 0.573 -4.067 -2.525 1.00 0.00 ? 19 PHE A N 8 ATOM 4168 C CA . PHE A 1 19 ? 0.894 -5.034 -3.575 1.00 0.00 ? 19 PHE A CA 8 ATOM 4169 C C . PHE A 1 19 ? -0.243 -6.014 -3.896 1.00 0.00 ? 19 PHE A C 8 ATOM 4170 O O . PHE A 1 19 ? -0.883 -6.536 -2.983 1.00 0.00 ? 19 PHE A O 8 ATOM 4171 C CB . PHE A 1 19 ? 2.209 -5.747 -3.232 1.00 0.00 ? 19 PHE A CB 8 ATOM 4172 C CG . PHE A 1 19 ? 2.565 -6.835 -4.219 1.00 0.00 ? 19 PHE A CG 8 ATOM 4173 C CD1 . PHE A 1 19 ? 3.013 -6.444 -5.489 1.00 0.00 ? 19 PHE A CD1 8 ATOM 4174 C CD2 . PHE A 1 19 ? 2.401 -8.202 -3.922 1.00 0.00 ? 19 PHE A CD2 8 ATOM 4175 C CE1 . PHE A 1 19 ? 3.285 -7.401 -6.473 1.00 0.00 ? 19 PHE A CE1 8 ATOM 4176 C CE2 . PHE A 1 19 ? 2.701 -9.168 -4.902 1.00 0.00 ? 19 PHE A CE2 8 ATOM 4177 C CZ . PHE A 1 19 ? 3.138 -8.769 -6.179 1.00 0.00 ? 19 PHE A CZ 8 ATOM 4178 H H . PHE A 1 19 ? 0.153 -4.434 -1.676 1.00 0.00 ? 19 PHE A H 8 ATOM 4179 H HA . PHE A 1 19 ? 1.081 -4.494 -4.505 1.00 0.00 ? 19 PHE A HA 8 ATOM 4180 H HB2 . PHE A 1 19 ? 3.017 -5.013 -3.209 1.00 0.00 ? 19 PHE A HB2 8 ATOM 4181 H HB3 . PHE A 1 19 ? 2.117 -6.190 -2.238 1.00 0.00 ? 19 PHE A HB3 8 ATOM 4182 H HD1 . PHE A 1 19 ? 3.120 -5.396 -5.722 1.00 0.00 ? 19 PHE A HD1 8 ATOM 4183 H HD2 . PHE A 1 19 ? 2.035 -8.515 -2.953 1.00 0.00 ? 19 PHE A HD2 8 ATOM 4184 H HE1 . PHE A 1 19 ? 3.591 -7.060 -7.451 1.00 0.00 ? 19 PHE A HE1 8 ATOM 4185 H HE2 . PHE A 1 19 ? 2.581 -10.219 -4.676 1.00 0.00 ? 19 PHE A HE2 8 ATOM 4186 H HZ . PHE A 1 19 ? 3.348 -9.512 -6.937 1.00 0.00 ? 19 PHE A HZ 8 ATOM 4187 N N . ASN A 1 20 ? -0.500 -6.276 -5.179 1.00 0.00 ? 20 ASN A N 8 ATOM 4188 C CA . ASN A 1 20 ? -1.519 -7.221 -5.627 1.00 0.00 ? 20 ASN A CA 8 ATOM 4189 C C . ASN A 1 20 ? -0.877 -8.556 -6.043 1.00 0.00 ? 20 ASN A C 8 ATOM 4190 O O . ASN A 1 20 ? -0.143 -8.620 -7.031 1.00 0.00 ? 20 ASN A O 8 ATOM 4191 C CB . ASN A 1 20 ? -2.329 -6.574 -6.756 1.00 0.00 ? 20 ASN A CB 8 ATOM 4192 C CG . ASN A 1 20 ? -3.588 -7.367 -7.042 1.00 0.00 ? 20 ASN A CG 8 ATOM 4193 O OD1 . ASN A 1 20 ? -3.546 -8.562 -7.290 1.00 0.00 ? 20 ASN A OD1 8 ATOM 4194 N ND2 . ASN A 1 20 ? -4.741 -6.742 -7.040 1.00 0.00 ? 20 ASN A ND2 8 ATOM 4195 H H . ASN A 1 20 ? 0.065 -5.820 -5.889 1.00 0.00 ? 20 ASN A H 8 ATOM 4196 H HA . ASN A 1 20 ? -2.203 -7.418 -4.807 1.00 0.00 ? 20 ASN A HA 8 ATOM 4197 H HB2 . ASN A 1 20 ? -2.606 -5.562 -6.465 1.00 0.00 ? 20 ASN A HB2 8 ATOM 4198 H HB3 . ASN A 1 20 ? -1.728 -6.524 -7.664 1.00 0.00 ? 20 ASN A HB3 8 ATOM 4199 H HD21 . ASN A 1 20 ? -4.788 -5.769 -6.770 1.00 0.00 ? 20 ASN A HD21 8 ATOM 4200 H HD22 . ASN A 1 20 ? -5.579 -7.278 -7.200 1.00 0.00 ? 20 ASN A HD22 8 ATOM 4201 N N . HIS A 1 21 ? -1.172 -9.637 -5.316 1.00 0.00 ? 21 HIS A N 8 ATOM 4202 C CA . HIS A 1 21 ? -0.572 -10.960 -5.563 1.00 0.00 ? 21 HIS A CA 8 ATOM 4203 C C . HIS A 1 21 ? -1.196 -11.707 -6.760 1.00 0.00 ? 21 HIS A C 8 ATOM 4204 O O . HIS A 1 21 ? -0.581 -12.630 -7.301 1.00 0.00 ? 21 HIS A O 8 ATOM 4205 C CB . HIS A 1 21 ? -0.598 -11.782 -4.261 1.00 0.00 ? 21 HIS A CB 8 ATOM 4206 C CG . HIS A 1 21 ? -1.813 -12.661 -4.051 1.00 0.00 ? 21 HIS A CG 8 ATOM 4207 N ND1 . HIS A 1 21 ? -1.884 -14.020 -4.374 1.00 0.00 ? 21 HIS A ND1 8 ATOM 4208 C CD2 . HIS A 1 21 ? -2.993 -12.288 -3.473 1.00 0.00 ? 21 HIS A CD2 8 ATOM 4209 C CE1 . HIS A 1 21 ? -3.100 -14.433 -3.977 1.00 0.00 ? 21 HIS A CE1 8 ATOM 4210 N NE2 . HIS A 1 21 ? -3.785 -13.413 -3.432 1.00 0.00 ? 21 HIS A NE2 8 ATOM 4211 H H . HIS A 1 21 ? -1.841 -9.538 -4.560 1.00 0.00 ? 21 HIS A H 8 ATOM 4212 H HA . HIS A 1 21 ? 0.475 -10.803 -5.822 1.00 0.00 ? 21 HIS A HA 8 ATOM 4213 H HB2 . HIS A 1 21 ? 0.278 -12.436 -4.273 1.00 0.00 ? 21 HIS A HB2 8 ATOM 4214 H HB3 . HIS A 1 21 ? -0.493 -11.112 -3.402 1.00 0.00 ? 21 HIS A HB3 8 ATOM 4215 H HD2 . HIS A 1 21 ? -3.251 -11.303 -3.108 1.00 0.00 ? 21 HIS A HD2 8 ATOM 4216 H HE1 . HIS A 1 21 ? -3.478 -15.445 -4.079 1.00 0.00 ? 21 HIS A HE1 8 ATOM 4217 H HE2 . HIS A 1 21 ? -4.725 -13.479 -3.050 1.00 0.00 ? 21 HIS A HE2 8 ATOM 4218 N N . ILE A 1 22 ? -2.391 -11.296 -7.199 1.00 0.00 ? 22 ILE A N 8 ATOM 4219 C CA . ILE A 1 22 ? -3.136 -11.870 -8.331 1.00 0.00 ? 22 ILE A CA 8 ATOM 4220 C C . ILE A 1 22 ? -2.672 -11.261 -9.666 1.00 0.00 ? 22 ILE A C 8 ATOM 4221 O O . ILE A 1 22 ? -2.529 -11.971 -10.663 1.00 0.00 ? 22 ILE A O 8 ATOM 4222 C CB . ILE A 1 22 ? -4.651 -11.619 -8.113 1.00 0.00 ? 22 ILE A CB 8 ATOM 4223 C CG1 . ILE A 1 22 ? -5.164 -12.155 -6.752 1.00 0.00 ? 22 ILE A CG1 8 ATOM 4224 C CG2 . ILE A 1 22 ? -5.496 -12.170 -9.272 1.00 0.00 ? 22 ILE A CG2 8 ATOM 4225 C CD1 . ILE A 1 22 ? -5.207 -13.679 -6.619 1.00 0.00 ? 22 ILE A CD1 8 ATOM 4226 H H . ILE A 1 22 ? -2.813 -10.504 -6.731 1.00 0.00 ? 22 ILE A H 8 ATOM 4227 H HA . ILE A 1 22 ? -2.961 -12.945 -8.373 1.00 0.00 ? 22 ILE A HA 8 ATOM 4228 H HB . ILE A 1 22 ? -4.811 -10.539 -8.110 1.00 0.00 ? 22 ILE A HB 8 ATOM 4229 H HG12 . ILE A 1 22 ? -4.539 -11.764 -5.945 1.00 0.00 ? 22 ILE A HG12 8 ATOM 4230 H HG13 . ILE A 1 22 ? -6.173 -11.777 -6.582 1.00 0.00 ? 22 ILE A HG13 8 ATOM 4231 H HG21 . ILE A 1 22 ? -5.261 -13.221 -9.447 1.00 0.00 ? 22 ILE A HG21 8 ATOM 4232 H HG22 . ILE A 1 22 ? -6.555 -12.069 -9.037 1.00 0.00 ? 22 ILE A HG22 8 ATOM 4233 H HG23 . ILE A 1 22 ? -5.295 -11.607 -10.183 1.00 0.00 ? 22 ILE A HG23 8 ATOM 4234 H HD11 . ILE A 1 22 ? -5.888 -14.109 -7.352 1.00 0.00 ? 22 ILE A HD11 8 ATOM 4235 H HD12 . ILE A 1 22 ? -4.209 -14.098 -6.751 1.00 0.00 ? 22 ILE A HD12 8 ATOM 4236 H HD13 . ILE A 1 22 ? -5.572 -13.933 -5.624 1.00 0.00 ? 22 ILE A HD13 8 ATOM 4237 N N . THR A 1 23 ? -2.416 -9.948 -9.679 1.00 0.00 ? 23 THR A N 8 ATOM 4238 C CA . THR A 1 23 ? -2.115 -9.133 -10.875 1.00 0.00 ? 23 THR A CA 8 ATOM 4239 C C . THR A 1 23 ? -0.681 -8.610 -10.995 1.00 0.00 ? 23 THR A C 8 ATOM 4240 O O . THR A 1 23 ? -0.304 -8.075 -12.041 1.00 0.00 ? 23 THR A O 8 ATOM 4241 C CB . THR A 1 23 ? -3.125 -7.983 -11.032 1.00 0.00 ? 23 THR A CB 8 ATOM 4242 O OG1 . THR A 1 23 ? -2.790 -6.940 -10.148 1.00 0.00 ? 23 THR A OG1 8 ATOM 4243 C CG2 . THR A 1 23 ? -4.579 -8.352 -10.741 1.00 0.00 ? 23 THR A CG2 8 ATOM 4244 H H . THR A 1 23 ? -2.599 -9.443 -8.817 1.00 0.00 ? 23 THR A H 8 ATOM 4245 H HA . THR A 1 23 ? -2.259 -9.768 -11.749 1.00 0.00 ? 23 THR A HA 8 ATOM 4246 H HB . THR A 1 23 ? -3.065 -7.604 -12.054 1.00 0.00 ? 23 THR A HB 8 ATOM 4247 H HG1 . THR A 1 23 ? -3.627 -6.529 -9.898 1.00 0.00 ? 23 THR A HG1 8 ATOM 4248 H HG21 . THR A 1 23 ? -4.716 -8.583 -9.685 1.00 0.00 ? 23 THR A HG21 8 ATOM 4249 H HG22 . THR A 1 23 ? -5.225 -7.515 -11.008 1.00 0.00 ? 23 THR A HG22 8 ATOM 4250 H HG23 . THR A 1 23 ? -4.861 -9.217 -11.340 1.00 0.00 ? 23 THR A HG23 8 ATOM 4251 N N . ASN A 1 24 ? 0.125 -8.760 -9.939 1.00 0.00 ? 24 ASN A N 8 ATOM 4252 C CA . ASN A 1 24 ? 1.472 -8.193 -9.774 1.00 0.00 ? 24 ASN A CA 8 ATOM 4253 C C . ASN A 1 24 ? 1.543 -6.645 -9.798 1.00 0.00 ? 24 ASN A C 8 ATOM 4254 O O . ASN A 1 24 ? 2.637 -6.080 -9.891 1.00 0.00 ? 24 ASN A O 8 ATOM 4255 C CB . ASN A 1 24 ? 2.482 -8.895 -10.705 1.00 0.00 ? 24 ASN A CB 8 ATOM 4256 C CG . ASN A 1 24 ? 2.552 -10.395 -10.466 1.00 0.00 ? 24 ASN A CG 8 ATOM 4257 O OD1 . ASN A 1 24 ? 2.906 -10.863 -9.392 1.00 0.00 ? 24 ASN A OD1 8 ATOM 4258 N ND2 . ASN A 1 24 ? 2.263 -11.199 -11.465 1.00 0.00 ? 24 ASN A ND2 8 ATOM 4259 H H . ASN A 1 24 ? -0.275 -9.191 -9.115 1.00 0.00 ? 24 ASN A H 8 ATOM 4260 H HA . ASN A 1 24 ? 1.773 -8.448 -8.757 1.00 0.00 ? 24 ASN A HA 8 ATOM 4261 H HB2 . ASN A 1 24 ? 2.225 -8.695 -11.746 1.00 0.00 ? 24 ASN A HB2 8 ATOM 4262 H HB3 . ASN A 1 24 ? 3.481 -8.494 -10.518 1.00 0.00 ? 24 ASN A HB3 8 ATOM 4263 H HD21 . ASN A 1 24 ? 1.982 -10.816 -12.358 1.00 0.00 ? 24 ASN A HD21 8 ATOM 4264 H HD22 . ASN A 1 24 ? 2.323 -12.196 -11.310 1.00 0.00 ? 24 ASN A HD22 8 ATOM 4265 N N . ALA A 1 25 ? 0.406 -5.943 -9.696 1.00 0.00 ? 25 ALA A N 8 ATOM 4266 C CA . ALA A 1 25 ? 0.370 -4.486 -9.533 1.00 0.00 ? 25 ALA A CA 8 ATOM 4267 C C . ALA A 1 25 ? 0.949 -4.034 -8.173 1.00 0.00 ? 25 ALA A C 8 ATOM 4268 O O . ALA A 1 25 ? 0.895 -4.770 -7.185 1.00 0.00 ? 25 ALA A O 8 ATOM 4269 C CB . ALA A 1 25 ? -1.073 -4.002 -9.723 1.00 0.00 ? 25 ALA A CB 8 ATOM 4270 H H . ALA A 1 25 ? -0.472 -6.445 -9.653 1.00 0.00 ? 25 ALA A H 8 ATOM 4271 H HA . ALA A 1 25 ? 0.980 -4.037 -10.320 1.00 0.00 ? 25 ALA A HA 8 ATOM 4272 H HB1 . ALA A 1 25 ? -1.106 -2.912 -9.675 1.00 0.00 ? 25 ALA A HB1 8 ATOM 4273 H HB2 . ALA A 1 25 ? -1.447 -4.322 -10.696 1.00 0.00 ? 25 ALA A HB2 8 ATOM 4274 H HB3 . ALA A 1 25 ? -1.712 -4.409 -8.939 1.00 0.00 ? 25 ALA A HB3 8 ATOM 4275 N N . SER A 1 26 ? 1.473 -2.806 -8.104 1.00 0.00 ? 26 SER A N 8 ATOM 4276 C CA . SER A 1 26 ? 1.999 -2.190 -6.871 1.00 0.00 ? 26 SER A CA 8 ATOM 4277 C C . SER A 1 26 ? 1.706 -0.682 -6.801 1.00 0.00 ? 26 SER A C 8 ATOM 4278 O O . SER A 1 26 ? 1.639 -0.010 -7.835 1.00 0.00 ? 26 SER A O 8 ATOM 4279 C CB . SER A 1 26 ? 3.504 -2.452 -6.709 1.00 0.00 ? 26 SER A CB 8 ATOM 4280 O OG . SER A 1 26 ? 4.260 -1.924 -7.788 1.00 0.00 ? 26 SER A OG 8 ATOM 4281 H H . SER A 1 26 ? 1.461 -2.232 -8.937 1.00 0.00 ? 26 SER A H 8 ATOM 4282 H HA . SER A 1 26 ? 1.511 -2.670 -6.025 1.00 0.00 ? 26 SER A HA 8 ATOM 4283 H HB2 . SER A 1 26 ? 3.842 -1.993 -5.777 1.00 0.00 ? 26 SER A HB2 8 ATOM 4284 H HB3 . SER A 1 26 ? 3.682 -3.523 -6.638 1.00 0.00 ? 26 SER A HB3 8 ATOM 4285 H HG . SER A 1 26 ? 4.096 -2.480 -8.562 1.00 0.00 ? 26 SER A HG 8 ATOM 4286 N N . GLN A 1 27 ? 1.539 -0.143 -5.588 1.00 0.00 ? 27 GLN A N 8 ATOM 4287 C CA . GLN A 1 27 ? 1.270 1.280 -5.321 1.00 0.00 ? 27 GLN A CA 8 ATOM 4288 C C . GLN A 1 27 ? 1.877 1.777 -4.000 1.00 0.00 ? 27 GLN A C 8 ATOM 4289 O O . GLN A 1 27 ? 1.959 1.032 -3.023 1.00 0.00 ? 27 GLN A O 8 ATOM 4290 C CB . GLN A 1 27 ? -0.245 1.557 -5.257 1.00 0.00 ? 27 GLN A CB 8 ATOM 4291 C CG . GLN A 1 27 ? -0.973 1.530 -6.606 1.00 0.00 ? 27 GLN A CG 8 ATOM 4292 C CD . GLN A 1 27 ? -2.483 1.787 -6.525 1.00 0.00 ? 27 GLN A CD 8 ATOM 4293 O OE1 . GLN A 1 27 ? -3.213 1.578 -7.486 1.00 0.00 ? 27 GLN A OE1 8 ATOM 4294 N NE2 . GLN A 1 27 ? -3.020 2.325 -5.447 1.00 0.00 ? 27 GLN A NE2 8 ATOM 4295 H H . GLN A 1 27 ? 1.598 -0.760 -4.783 1.00 0.00 ? 27 GLN A H 8 ATOM 4296 H HA . GLN A 1 27 ? 1.699 1.883 -6.124 1.00 0.00 ? 27 GLN A HA 8 ATOM 4297 H HB2 . GLN A 1 27 ? -0.714 0.844 -4.575 1.00 0.00 ? 27 GLN A HB2 8 ATOM 4298 H HB3 . GLN A 1 27 ? -0.378 2.561 -4.853 1.00 0.00 ? 27 GLN A HB3 8 ATOM 4299 H HG2 . GLN A 1 27 ? -0.530 2.305 -7.231 1.00 0.00 ? 27 GLN A HG2 8 ATOM 4300 H HG3 . GLN A 1 27 ? -0.827 0.558 -7.073 1.00 0.00 ? 27 GLN A HG3 8 ATOM 4301 H HE21 . GLN A 1 27 ? -2.456 2.512 -4.620 1.00 0.00 ? 27 GLN A HE21 8 ATOM 4302 H HE22 . GLN A 1 27 ? -4.005 2.541 -5.465 1.00 0.00 ? 27 GLN A HE22 8 ATOM 4303 N N . PHE A 1 28 ? 2.244 3.062 -3.956 1.00 0.00 ? 28 PHE A N 8 ATOM 4304 C CA . PHE A 1 28 ? 2.630 3.774 -2.726 1.00 0.00 ? 28 PHE A CA 8 ATOM 4305 C C . PHE A 1 28 ? 1.469 4.412 -1.938 1.00 0.00 ? 28 PHE A C 8 ATOM 4306 O O . PHE A 1 28 ? 1.603 4.739 -0.757 1.00 0.00 ? 28 PHE A O 8 ATOM 4307 C CB . PHE A 1 28 ? 3.797 4.739 -2.986 1.00 0.00 ? 28 PHE A CB 8 ATOM 4308 C CG . PHE A 1 28 ? 5.148 4.060 -3.120 1.00 0.00 ? 28 PHE A CG 8 ATOM 4309 C CD1 . PHE A 1 28 ? 5.900 3.743 -1.971 1.00 0.00 ? 28 PHE A CD1 8 ATOM 4310 C CD2 . PHE A 1 28 ? 5.664 3.756 -4.395 1.00 0.00 ? 28 PHE A CD2 8 ATOM 4311 C CE1 . PHE A 1 28 ? 7.166 3.143 -2.099 1.00 0.00 ? 28 PHE A CE1 8 ATOM 4312 C CE2 . PHE A 1 28 ? 6.927 3.150 -4.522 1.00 0.00 ? 28 PHE A CE2 8 ATOM 4313 C CZ . PHE A 1 28 ? 7.681 2.848 -3.374 1.00 0.00 ? 28 PHE A CZ 8 ATOM 4314 H H . PHE A 1 28 ? 2.191 3.601 -4.809 1.00 0.00 ? 28 PHE A H 8 ATOM 4315 H HA . PHE A 1 28 ? 3.027 3.029 -2.037 1.00 0.00 ? 28 PHE A HA 8 ATOM 4316 H HB2 . PHE A 1 28 ? 3.586 5.325 -3.885 1.00 0.00 ? 28 PHE A HB2 8 ATOM 4317 H HB3 . PHE A 1 28 ? 3.866 5.433 -2.145 1.00 0.00 ? 28 PHE A HB3 8 ATOM 4318 H HD1 . PHE A 1 28 ? 5.510 3.968 -0.987 1.00 0.00 ? 28 PHE A HD1 8 ATOM 4319 H HD2 . PHE A 1 28 ? 5.091 3.993 -5.282 1.00 0.00 ? 28 PHE A HD2 8 ATOM 4320 H HE1 . PHE A 1 28 ? 7.744 2.909 -1.215 1.00 0.00 ? 28 PHE A HE1 8 ATOM 4321 H HE2 . PHE A 1 28 ? 7.322 2.921 -5.504 1.00 0.00 ? 28 PHE A HE2 8 ATOM 4322 H HZ . PHE A 1 28 ? 8.656 2.388 -3.472 1.00 0.00 ? 28 PHE A HZ 8 ATOM 4323 N N . GLU A 1 29 ? 0.314 4.560 -2.594 1.00 0.00 ? 29 GLU A N 8 ATOM 4324 C CA . GLU A 1 29 ? -0.973 4.997 -2.027 1.00 0.00 ? 29 GLU A CA 8 ATOM 4325 C C . GLU A 1 29 ? -1.961 3.817 -2.002 1.00 0.00 ? 29 GLU A C 8 ATOM 4326 O O . GLU A 1 29 ? -1.888 2.942 -2.872 1.00 0.00 ? 29 GLU A O 8 ATOM 4327 C CB . GLU A 1 29 ? -1.494 6.183 -2.857 1.00 0.00 ? 29 GLU A CB 8 ATOM 4328 C CG . GLU A 1 29 ? -2.832 6.751 -2.353 1.00 0.00 ? 29 GLU A CG 8 ATOM 4329 C CD . GLU A 1 29 ? -3.284 8.037 -3.083 1.00 0.00 ? 29 GLU A CD 8 ATOM 4330 O OE1 . GLU A 1 29 ? -2.563 8.562 -3.968 1.00 0.00 ? 29 GLU A OE1 8 ATOM 4331 O OE2 . GLU A 1 29 ? -4.389 8.543 -2.764 1.00 0.00 ? 29 GLU A OE2 8 ATOM 4332 H H . GLU A 1 29 ? 0.286 4.228 -3.551 1.00 0.00 ? 29 GLU A H 8 ATOM 4333 H HA . GLU A 1 29 ? -0.828 5.337 -1.001 1.00 0.00 ? 29 GLU A HA 8 ATOM 4334 H HB2 . GLU A 1 29 ? -0.742 6.972 -2.822 1.00 0.00 ? 29 GLU A HB2 8 ATOM 4335 H HB3 . GLU A 1 29 ? -1.613 5.859 -3.894 1.00 0.00 ? 29 GLU A HB3 8 ATOM 4336 H HG2 . GLU A 1 29 ? -3.607 5.992 -2.477 1.00 0.00 ? 29 GLU A HG2 8 ATOM 4337 H HG3 . GLU A 1 29 ? -2.736 6.964 -1.286 1.00 0.00 ? 29 GLU A HG3 8 ATOM 4338 N N . ARG A 1 30 ? -2.879 3.755 -1.022 1.00 0.00 ? 30 ARG A N 8 ATOM 4339 C CA . ARG A 1 30 ? -3.714 2.557 -0.829 1.00 0.00 ? 30 ARG A CA 8 ATOM 4340 C C . ARG A 1 30 ? -4.617 2.250 -2.047 1.00 0.00 ? 30 ARG A C 8 ATOM 4341 O O . ARG A 1 30 ? -5.105 3.177 -2.706 1.00 0.00 ? 30 ARG A O 8 ATOM 4342 C CB . ARG A 1 30 ? -4.500 2.596 0.493 1.00 0.00 ? 30 ARG A CB 8 ATOM 4343 C CG . ARG A 1 30 ? -5.700 3.563 0.539 1.00 0.00 ? 30 ARG A CG 8 ATOM 4344 C CD . ARG A 1 30 ? -6.876 2.964 1.322 1.00 0.00 ? 30 ARG A CD 8 ATOM 4345 N NE . ARG A 1 30 ? -7.463 1.789 0.636 1.00 0.00 ? 30 ARG A NE 8 ATOM 4346 C CZ . ARG A 1 30 ? -8.091 0.772 1.197 1.00 0.00 ? 30 ARG A CZ 8 ATOM 4347 N NH1 . ARG A 1 30 ? -8.246 0.644 2.483 1.00 0.00 ? 30 ARG A NH1 8 ATOM 4348 N NH2 . ARG A 1 30 ? -8.593 -0.159 0.447 1.00 0.00 ? 30 ARG A NH2 8 ATOM 4349 H H . ARG A 1 30 ? -2.928 4.505 -0.345 1.00 0.00 ? 30 ARG A H 8 ATOM 4350 H HA . ARG A 1 30 ? -3.012 1.731 -0.740 1.00 0.00 ? 30 ARG A HA 8 ATOM 4351 H HB2 . ARG A 1 30 ? -4.846 1.583 0.693 1.00 0.00 ? 30 ARG A HB2 8 ATOM 4352 H HB3 . ARG A 1 30 ? -3.820 2.849 1.308 1.00 0.00 ? 30 ARG A HB3 8 ATOM 4353 H HG2 . ARG A 1 30 ? -5.380 4.485 1.025 1.00 0.00 ? 30 ARG A HG2 8 ATOM 4354 H HG3 . ARG A 1 30 ? -6.056 3.807 -0.462 1.00 0.00 ? 30 ARG A HG3 8 ATOM 4355 H HD2 . ARG A 1 30 ? -6.521 2.690 2.317 1.00 0.00 ? 30 ARG A HD2 8 ATOM 4356 H HD3 . ARG A 1 30 ? -7.646 3.730 1.432 1.00 0.00 ? 30 ARG A HD3 8 ATOM 4357 H HE . ARG A 1 30 ? -7.385 1.733 -0.377 1.00 0.00 ? 30 ARG A HE 8 ATOM 4358 H HH11 . ARG A 1 30 ? -7.890 1.349 3.102 1.00 0.00 ? 30 ARG A HH11 8 ATOM 4359 H HH12 . ARG A 1 30 ? -8.667 -0.204 2.849 1.00 0.00 ? 30 ARG A HH12 8 ATOM 4360 H HH21 . ARG A 1 30 ? -8.499 -0.064 -0.558 1.00 0.00 ? 30 ARG A HH21 8 ATOM 4361 H HH22 . ARG A 1 30 ? -9.142 -0.891 0.867 1.00 0.00 ? 30 ARG A HH22 8 ATOM 4362 N N . PRO A 1 31 ? -4.864 0.965 -2.354 1.00 0.00 ? 31 PRO A N 8 ATOM 4363 C CA . PRO A 1 31 ? -5.687 0.543 -3.487 1.00 0.00 ? 31 PRO A CA 8 ATOM 4364 C C . PRO A 1 31 ? -7.195 0.719 -3.253 1.00 0.00 ? 31 PRO A C 8 ATOM 4365 O O . PRO A 1 31 ? -7.670 0.744 -2.113 1.00 0.00 ? 31 PRO A O 8 ATOM 4366 C CB . PRO A 1 31 ? -5.337 -0.930 -3.695 1.00 0.00 ? 31 PRO A CB 8 ATOM 4367 C CG . PRO A 1 31 ? -4.975 -1.402 -2.291 1.00 0.00 ? 31 PRO A CG 8 ATOM 4368 C CD . PRO A 1 31 ? -4.278 -0.191 -1.695 1.00 0.00 ? 31 PRO A CD 8 ATOM 4369 H HA . PRO A 1 31 ? -5.407 1.103 -4.379 1.00 0.00 ? 31 PRO A HA 8 ATOM 4370 H HB2 . PRO A 1 31 ? -6.180 -1.492 -4.092 1.00 0.00 ? 31 PRO A HB2 8 ATOM 4371 H HB3 . PRO A 1 31 ? -4.467 -1.010 -4.348 1.00 0.00 ? 31 PRO A HB3 8 ATOM 4372 H HG2 . PRO A 1 31 ? -5.887 -1.595 -1.731 1.00 0.00 ? 31 PRO A HG2 8 ATOM 4373 H HG3 . PRO A 1 31 ? -4.323 -2.273 -2.298 1.00 0.00 ? 31 PRO A HG3 8 ATOM 4374 H HD2 . PRO A 1 31 ? -4.432 -0.163 -0.616 1.00 0.00 ? 31 PRO A HD2 8 ATOM 4375 H HD3 . PRO A 1 31 ? -3.215 -0.230 -1.932 1.00 0.00 ? 31 PRO A HD3 8 ATOM 4376 N N . SER A 1 32 ? -7.954 0.767 -4.351 1.00 0.00 ? 32 SER A N 8 ATOM 4377 C CA . SER A 1 32 ? -9.428 0.851 -4.372 1.00 0.00 ? 32 SER A CA 8 ATOM 4378 C C . SER A 1 32 ? -10.117 -0.191 -5.278 1.00 0.00 ? 32 SER A C 8 ATOM 4379 O O . SER A 1 32 ? -11.339 -0.351 -5.201 1.00 0.00 ? 32 SER A O 8 ATOM 4380 C CB . SER A 1 32 ? -9.850 2.270 -4.772 1.00 0.00 ? 32 SER A CB 8 ATOM 4381 O OG . SER A 1 32 ? -9.382 2.589 -6.076 1.00 0.00 ? 32 SER A OG 8 ATOM 4382 H H . SER A 1 32 ? -7.481 0.824 -5.242 1.00 0.00 ? 32 SER A H 8 ATOM 4383 H HA . SER A 1 32 ? -9.807 0.675 -3.364 1.00 0.00 ? 32 SER A HA 8 ATOM 4384 H HB2 . SER A 1 32 ? -10.938 2.348 -4.745 1.00 0.00 ? 32 SER A HB2 8 ATOM 4385 H HB3 . SER A 1 32 ? -9.434 2.981 -4.054 1.00 0.00 ? 32 SER A HB3 8 ATOM 4386 H HG . SER A 1 32 ? -9.655 3.496 -6.277 1.00 0.00 ? 32 SER A HG 8 ATOM 4387 N N . GLY A 1 33 ? -9.358 -0.927 -6.106 1.00 0.00 ? 33 GLY A N 8 ATOM 4388 C CA . GLY A 1 33 ? -9.850 -1.995 -6.994 1.00 0.00 ? 33 GLY A CA 8 ATOM 4389 C C . GLY A 1 33 ? -8.827 -2.407 -8.051 1.00 0.00 ? 33 GLY A C 8 ATOM 4390 O O . GLY A 1 33 ? -7.864 -3.121 -7.696 1.00 0.00 ? 33 GLY A O 8 ATOM 4391 O OXT . GLY A 1 33 ? -8.997 -2.007 -9.224 1.00 0.00 ? 33 GLY A OXT 8 ATOM 4392 H H . GLY A 1 33 ? -8.364 -0.751 -6.109 1.00 0.00 ? 33 GLY A H 8 ATOM 4393 H HA2 . GLY A 1 33 ? -10.096 -2.877 -6.403 1.00 0.00 ? 33 GLY A HA2 8 ATOM 4394 H HA3 . GLY A 1 33 ? -10.755 -1.664 -7.504 1.00 0.00 ? 33 GLY A HA3 8 HETATM 4395 C C1 . GAL B 2 . ? 12.966 1.958 0.388 1.00 0.00 ? 101 GAL A C1 8 HETATM 4396 C C2 . GAL B 2 . ? 12.762 3.414 -0.097 1.00 0.00 ? 101 GAL A C2 8 HETATM 4397 C C3 . GAL B 2 . ? 11.928 3.435 -1.392 1.00 0.00 ? 101 GAL A C3 8 HETATM 4398 C C4 . GAL B 2 . ? 12.540 2.521 -2.468 1.00 0.00 ? 101 GAL A C4 8 HETATM 4399 C C5 . GAL B 2 . ? 12.718 1.093 -1.919 1.00 0.00 ? 101 GAL A C5 8 HETATM 4400 C C6 . GAL B 2 . ? 13.345 0.105 -2.912 1.00 0.00 ? 101 GAL A C6 8 HETATM 4401 O O2 . GAL B 2 . ? 12.067 4.190 0.916 1.00 0.00 ? 101 GAL A O2 8 HETATM 4402 O O3 . GAL B 2 . ? 11.879 4.784 -1.925 1.00 0.00 ? 101 GAL A O3 8 HETATM 4403 O O4 . GAL B 2 . ? 13.829 3.064 -2.847 1.00 0.00 ? 101 GAL A O4 8 HETATM 4404 O O5 . GAL B 2 . ? 13.538 1.136 -0.683 1.00 0.00 ? 101 GAL A O5 8 HETATM 4405 O O6 . GAL B 2 . ? 14.737 0.437 -3.107 1.00 0.00 ? 101 GAL A O6 8 HETATM 4406 H H1 . GAL B 2 . ? 12.009 1.531 0.685 1.00 0.00 ? 101 GAL A H1 8 HETATM 4407 H H2 . GAL B 2 . ? 13.736 3.872 -0.279 1.00 0.00 ? 101 GAL A H2 8 HETATM 4408 H H3 . GAL B 2 . ? 10.912 3.104 -1.174 1.00 0.00 ? 101 GAL A H3 8 HETATM 4409 H H4 . GAL B 2 . ? 11.893 2.495 -3.346 1.00 0.00 ? 101 GAL A H4 8 HETATM 4410 H H5 . GAL B 2 . ? 11.730 0.717 -1.659 1.00 0.00 ? 101 GAL A H5 8 HETATM 4411 H H61 . GAL B 2 . ? 13.278 -0.910 -2.518 1.00 0.00 ? 101 GAL A H61 8 HETATM 4412 H H62 . GAL B 2 . ? 12.822 0.148 -3.871 1.00 0.00 ? 101 GAL A H62 8 HETATM 4413 H HO2 . GAL B 2 . ? 11.919 5.069 0.534 1.00 0.00 ? 101 GAL A HO2 8 HETATM 4414 H HO3 . GAL B 2 . ? 12.689 4.900 -2.450 1.00 0.00 ? 101 GAL A HO3 8 HETATM 4415 H HO4 . GAL B 2 . ? 14.372 2.325 -3.181 1.00 0.00 ? 101 GAL A HO4 8 HETATM 4416 H HO6 . GAL B 2 . ? 15.181 0.304 -2.255 1.00 0.00 ? 101 GAL A HO6 8 ATOM 4417 N N . LYS A 1 1 ? -11.238 -2.916 4.263 1.00 0.00 ? 1 LYS A N 9 ATOM 4418 C CA . LYS A 1 1 ? -9.773 -3.161 4.181 1.00 0.00 ? 1 LYS A CA 9 ATOM 4419 C C . LYS A 1 1 ? -9.230 -2.782 2.796 1.00 0.00 ? 1 LYS A C 9 ATOM 4420 O O . LYS A 1 1 ? -8.865 -1.622 2.578 1.00 0.00 ? 1 LYS A O 9 ATOM 4421 C CB . LYS A 1 1 ? -9.409 -4.586 4.677 1.00 0.00 ? 1 LYS A CB 9 ATOM 4422 C CG . LYS A 1 1 ? -7.920 -4.967 4.560 1.00 0.00 ? 1 LYS A CG 9 ATOM 4423 C CD . LYS A 1 1 ? -7.618 -6.321 5.222 1.00 0.00 ? 1 LYS A CD 9 ATOM 4424 C CE . LYS A 1 1 ? -6.261 -6.896 4.782 1.00 0.00 ? 1 LYS A CE 9 ATOM 4425 N NZ . LYS A 1 1 ? -5.109 -6.068 5.220 1.00 0.00 ? 1 LYS A NZ 9 ATOM 4426 H H1 . LYS A 1 1 ? -11.453 -1.961 4.017 1.00 0.00 ? 1 LYS A H1 9 ATOM 4427 H H2 . LYS A 1 1 ? -11.567 -3.078 5.204 1.00 0.00 ? 1 LYS A H2 9 ATOM 4428 H H3 . LYS A 1 1 ? -11.743 -3.530 3.641 1.00 0.00 ? 1 LYS A H3 9 ATOM 4429 H HA . LYS A 1 1 ? -9.291 -2.465 4.868 1.00 0.00 ? 1 LYS A HA 9 ATOM 4430 H HB2 . LYS A 1 1 ? -9.697 -4.662 5.728 1.00 0.00 ? 1 LYS A HB2 9 ATOM 4431 H HB3 . LYS A 1 1 ? -9.995 -5.321 4.122 1.00 0.00 ? 1 LYS A HB3 9 ATOM 4432 H HG2 . LYS A 1 1 ? -7.655 -5.051 3.509 1.00 0.00 ? 1 LYS A HG2 9 ATOM 4433 H HG3 . LYS A 1 1 ? -7.307 -4.191 5.022 1.00 0.00 ? 1 LYS A HG3 9 ATOM 4434 H HD2 . LYS A 1 1 ? -7.645 -6.218 6.309 1.00 0.00 ? 1 LYS A HD2 9 ATOM 4435 H HD3 . LYS A 1 1 ? -8.388 -7.038 4.930 1.00 0.00 ? 1 LYS A HD3 9 ATOM 4436 H HE2 . LYS A 1 1 ? -6.157 -7.905 5.192 1.00 0.00 ? 1 LYS A HE2 9 ATOM 4437 H HE3 . LYS A 1 1 ? -6.256 -6.986 3.693 1.00 0.00 ? 1 LYS A HE3 9 ATOM 4438 H HZ1 . LYS A 1 1 ? -5.187 -5.117 4.894 1.00 0.00 ? 1 LYS A HZ1 9 ATOM 4439 H HZ2 . LYS A 1 1 ? -5.022 -6.060 6.226 1.00 0.00 ? 1 LYS A HZ2 9 ATOM 4440 H HZ3 . LYS A 1 1 ? -4.240 -6.447 4.836 1.00 0.00 ? 1 LYS A HZ3 9 ATOM 4441 N N . LEU A 1 2 ? -9.185 -3.722 1.844 1.00 0.00 ? 2 LEU A N 9 ATOM 4442 C CA . LEU A 1 2 ? -8.525 -3.588 0.533 1.00 0.00 ? 2 LEU A CA 9 ATOM 4443 C C . LEU A 1 2 ? -9.334 -4.297 -0.582 1.00 0.00 ? 2 LEU A C 9 ATOM 4444 O O . LEU A 1 2 ? -10.142 -5.181 -0.273 1.00 0.00 ? 2 LEU A O 9 ATOM 4445 C CB . LEU A 1 2 ? -7.096 -4.176 0.617 1.00 0.00 ? 2 LEU A CB 9 ATOM 4446 C CG . LEU A 1 2 ? -6.102 -3.454 1.550 1.00 0.00 ? 2 LEU A CG 9 ATOM 4447 C CD1 . LEU A 1 2 ? -4.836 -4.293 1.698 1.00 0.00 ? 2 LEU A CD1 9 ATOM 4448 C CD2 . LEU A 1 2 ? -5.674 -2.095 1.009 1.00 0.00 ? 2 LEU A CD2 9 ATOM 4449 H H . LEU A 1 2 ? -9.564 -4.634 2.058 1.00 0.00 ? 2 LEU A H 9 ATOM 4450 H HA . LEU A 1 2 ? -8.463 -2.532 0.281 1.00 0.00 ? 2 LEU A HA 9 ATOM 4451 H HB2 . LEU A 1 2 ? -7.184 -5.216 0.941 1.00 0.00 ? 2 LEU A HB2 9 ATOM 4452 H HB3 . LEU A 1 2 ? -6.662 -4.171 -0.383 1.00 0.00 ? 2 LEU A HB3 9 ATOM 4453 H HG . LEU A 1 2 ? -6.537 -3.317 2.535 1.00 0.00 ? 2 LEU A HG 9 ATOM 4454 H HD11 . LEU A 1 2 ? -4.370 -4.425 0.722 1.00 0.00 ? 2 LEU A HD11 9 ATOM 4455 H HD12 . LEU A 1 2 ? -4.136 -3.793 2.368 1.00 0.00 ? 2 LEU A HD12 9 ATOM 4456 H HD13 . LEU A 1 2 ? -5.090 -5.269 2.110 1.00 0.00 ? 2 LEU A HD13 9 ATOM 4457 H HD21 . LEU A 1 2 ? -5.059 -1.586 1.750 1.00 0.00 ? 2 LEU A HD21 9 ATOM 4458 H HD22 . LEU A 1 2 ? -5.095 -2.233 0.099 1.00 0.00 ? 2 LEU A HD22 9 ATOM 4459 H HD23 . LEU A 1 2 ? -6.544 -1.479 0.803 1.00 0.00 ? 2 LEU A HD23 9 ATOM 4460 N N . PRO A 1 3 ? -9.129 -3.952 -1.872 1.00 0.00 ? 3 PRO A N 9 ATOM 4461 C CA . PRO A 1 3 ? -9.764 -4.628 -3.010 1.00 0.00 ? 3 PRO A CA 9 ATOM 4462 C C . PRO A 1 3 ? -9.204 -6.056 -3.220 1.00 0.00 ? 3 PRO A C 9 ATOM 4463 O O . PRO A 1 3 ? -8.172 -6.402 -2.631 1.00 0.00 ? 3 PRO A O 9 ATOM 4464 C CB . PRO A 1 3 ? -9.524 -3.716 -4.226 1.00 0.00 ? 3 PRO A CB 9 ATOM 4465 C CG . PRO A 1 3 ? -8.923 -2.433 -3.658 1.00 0.00 ? 3 PRO A CG 9 ATOM 4466 C CD . PRO A 1 3 ? -8.264 -2.895 -2.368 1.00 0.00 ? 3 PRO A CD 9 ATOM 4467 H HA . PRO A 1 3 ? -10.837 -4.693 -2.828 1.00 0.00 ? 3 PRO A HA 9 ATOM 4468 H HB2 . PRO A 1 3 ? -8.817 -4.175 -4.919 1.00 0.00 ? 3 PRO A HB2 9 ATOM 4469 H HB3 . PRO A 1 3 ? -10.460 -3.496 -4.743 1.00 0.00 ? 3 PRO A HB3 9 ATOM 4470 H HG2 . PRO A 1 3 ? -8.196 -1.997 -4.339 1.00 0.00 ? 3 PRO A HG2 9 ATOM 4471 H HG3 . PRO A 1 3 ? -9.719 -1.724 -3.426 1.00 0.00 ? 3 PRO A HG3 9 ATOM 4472 H HD2 . PRO A 1 3 ? -7.282 -3.312 -2.592 1.00 0.00 ? 3 PRO A HD2 9 ATOM 4473 H HD3 . PRO A 1 3 ? -8.171 -2.058 -1.679 1.00 0.00 ? 3 PRO A HD3 9 ATOM 4474 N N . PRO A 1 4 ? -9.834 -6.906 -4.057 1.00 0.00 ? 4 PRO A N 9 ATOM 4475 C CA . PRO A 1 4 ? -9.411 -8.295 -4.250 1.00 0.00 ? 4 PRO A CA 9 ATOM 4476 C C . PRO A 1 4 ? -7.959 -8.420 -4.747 1.00 0.00 ? 4 PRO A C 9 ATOM 4477 O O . PRO A 1 4 ? -7.527 -7.726 -5.672 1.00 0.00 ? 4 PRO A O 9 ATOM 4478 C CB . PRO A 1 4 ? -10.418 -8.920 -5.221 1.00 0.00 ? 4 PRO A CB 9 ATOM 4479 C CG . PRO A 1 4 ? -11.019 -7.717 -5.945 1.00 0.00 ? 4 PRO A CG 9 ATOM 4480 C CD . PRO A 1 4 ? -11.003 -6.625 -4.878 1.00 0.00 ? 4 PRO A CD 9 ATOM 4481 H HA . PRO A 1 4 ? -9.498 -8.818 -3.298 1.00 0.00 ? 4 PRO A HA 9 ATOM 4482 H HB2 . PRO A 1 4 ? -9.948 -9.615 -5.918 1.00 0.00 ? 4 PRO A HB2 9 ATOM 4483 H HB3 . PRO A 1 4 ? -11.201 -9.424 -4.652 1.00 0.00 ? 4 PRO A HB3 9 ATOM 4484 H HG2 . PRO A 1 4 ? -10.373 -7.427 -6.776 1.00 0.00 ? 4 PRO A HG2 9 ATOM 4485 H HG3 . PRO A 1 4 ? -12.030 -7.925 -6.293 1.00 0.00 ? 4 PRO A HG3 9 ATOM 4486 H HD2 . PRO A 1 4 ? -10.945 -5.650 -5.361 1.00 0.00 ? 4 PRO A HD2 9 ATOM 4487 H HD3 . PRO A 1 4 ? -11.903 -6.694 -4.264 1.00 0.00 ? 4 PRO A HD3 9 ATOM 4488 N N . GLY A 1 5 ? -7.204 -9.323 -4.115 1.00 0.00 ? 5 GLY A N 9 ATOM 4489 C CA . GLY A 1 5 ? -5.791 -9.607 -4.398 1.00 0.00 ? 5 GLY A CA 9 ATOM 4490 C C . GLY A 1 5 ? -4.771 -8.685 -3.718 1.00 0.00 ? 5 GLY A C 9 ATOM 4491 O O . GLY A 1 5 ? -3.604 -9.065 -3.612 1.00 0.00 ? 5 GLY A O 9 ATOM 4492 H H . GLY A 1 5 ? -7.637 -9.849 -3.367 1.00 0.00 ? 5 GLY A H 9 ATOM 4493 H HA2 . GLY A 1 5 ? -5.576 -10.629 -4.081 1.00 0.00 ? 5 GLY A HA2 9 ATOM 4494 H HA3 . GLY A 1 5 ? -5.627 -9.532 -5.475 1.00 0.00 ? 5 GLY A HA3 9 ATOM 4495 N N . TRP A 1 6 ? -5.174 -7.506 -3.232 1.00 0.00 ? 6 TRP A N 9 ATOM 4496 C CA . TRP A 1 6 ? -4.287 -6.560 -2.541 1.00 0.00 ? 6 TRP A CA 9 ATOM 4497 C C . TRP A 1 6 ? -3.984 -6.930 -1.081 1.00 0.00 ? 6 TRP A C 9 ATOM 4498 O O . TRP A 1 6 ? -4.861 -7.385 -0.342 1.00 0.00 ? 6 TRP A O 9 ATOM 4499 C CB . TRP A 1 6 ? -4.858 -5.142 -2.612 1.00 0.00 ? 6 TRP A CB 9 ATOM 4500 C CG . TRP A 1 6 ? -4.903 -4.498 -3.963 1.00 0.00 ? 6 TRP A CG 9 ATOM 4501 C CD1 . TRP A 1 6 ? -5.920 -4.624 -4.844 1.00 0.00 ? 6 TRP A CD1 9 ATOM 4502 C CD2 . TRP A 1 6 ? -3.836 -3.818 -4.697 1.00 0.00 ? 6 TRP A CD2 9 ATOM 4503 N NE1 . TRP A 1 6 ? -5.626 -3.936 -6.003 1.00 0.00 ? 6 TRP A NE1 9 ATOM 4504 C CE2 . TRP A 1 6 ? -4.333 -3.466 -5.990 1.00 0.00 ? 6 TRP A CE2 9 ATOM 4505 C CE3 . TRP A 1 6 ? -2.511 -3.430 -4.396 1.00 0.00 ? 6 TRP A CE3 9 ATOM 4506 C CZ2 . TRP A 1 6 ? -3.553 -2.794 -6.940 1.00 0.00 ? 6 TRP A CZ2 9 ATOM 4507 C CZ3 . TRP A 1 6 ? -1.725 -2.731 -5.334 1.00 0.00 ? 6 TRP A CZ3 9 ATOM 4508 C CH2 . TRP A 1 6 ? -2.240 -2.419 -6.606 1.00 0.00 ? 6 TRP A CH2 9 ATOM 4509 H H . TRP A 1 6 ? -6.152 -7.263 -3.312 1.00 0.00 ? 6 TRP A H 9 ATOM 4510 H HA . TRP A 1 6 ? -3.336 -6.540 -3.067 1.00 0.00 ? 6 TRP A HA 9 ATOM 4511 H HB2 . TRP A 1 6 ? -5.870 -5.162 -2.207 1.00 0.00 ? 6 TRP A HB2 9 ATOM 4512 H HB3 . TRP A 1 6 ? -4.250 -4.499 -1.970 1.00 0.00 ? 6 TRP A HB3 9 ATOM 4513 H HD1 . TRP A 1 6 ? -6.845 -5.149 -4.645 1.00 0.00 ? 6 TRP A HD1 9 ATOM 4514 H HE1 . TRP A 1 6 ? -6.322 -3.738 -6.731 1.00 0.00 ? 6 TRP A HE1 9 ATOM 4515 H HE3 . TRP A 1 6 ? -2.109 -3.662 -3.420 1.00 0.00 ? 6 TRP A HE3 9 ATOM 4516 H HZ2 . TRP A 1 6 ? -3.966 -2.577 -7.915 1.00 0.00 ? 6 TRP A HZ2 9 ATOM 4517 H HZ3 . TRP A 1 6 ? -0.720 -2.424 -5.080 1.00 0.00 ? 6 TRP A HZ3 9 ATOM 4518 H HH2 . TRP A 1 6 ? -1.627 -1.887 -7.323 1.00 0.00 ? 6 TRP A HH2 9 ATOM 4519 N N . GLU A 1 7 ? -2.755 -6.658 -0.638 1.00 0.00 ? 7 GLU A N 9 ATOM 4520 C CA . GLU A 1 7 ? -2.311 -6.739 0.760 1.00 0.00 ? 7 GLU A CA 9 ATOM 4521 C C . GLU A 1 7 ? -1.171 -5.733 1.032 1.00 0.00 ? 7 GLU A C 9 ATOM 4522 O O . GLU A 1 7 ? -0.470 -5.307 0.107 1.00 0.00 ? 7 GLU A O 9 ATOM 4523 C CB . GLU A 1 7 ? -1.900 -8.193 1.079 1.00 0.00 ? 7 GLU A CB 9 ATOM 4524 C CG . GLU A 1 7 ? -1.586 -8.496 2.554 1.00 0.00 ? 7 GLU A CG 9 ATOM 4525 C CD . GLU A 1 7 ? -2.725 -8.086 3.505 1.00 0.00 ? 7 GLU A CD 9 ATOM 4526 O OE1 . GLU A 1 7 ? -3.577 -8.937 3.852 1.00 0.00 ? 7 GLU A OE1 9 ATOM 4527 O OE2 . GLU A 1 7 ? -2.779 -6.900 3.912 1.00 0.00 ? 7 GLU A OE2 9 ATOM 4528 H H . GLU A 1 7 ? -2.061 -6.359 -1.316 1.00 0.00 ? 7 GLU A H 9 ATOM 4529 H HA . GLU A 1 7 ? -3.148 -6.469 1.402 1.00 0.00 ? 7 GLU A HA 9 ATOM 4530 H HB2 . GLU A 1 7 ? -2.712 -8.857 0.778 1.00 0.00 ? 7 GLU A HB2 9 ATOM 4531 H HB3 . GLU A 1 7 ? -1.026 -8.451 0.481 1.00 0.00 ? 7 GLU A HB3 9 ATOM 4532 H HG2 . GLU A 1 7 ? -1.393 -9.568 2.652 1.00 0.00 ? 7 GLU A HG2 9 ATOM 4533 H HG3 . GLU A 1 7 ? -0.667 -7.984 2.841 1.00 0.00 ? 7 GLU A HG3 9 ATOM 4534 N N . LYS A 1 8 ? -0.965 -5.345 2.297 1.00 0.00 ? 8 LYS A N 9 ATOM 4535 C CA . LYS A 1 8 ? 0.200 -4.551 2.727 1.00 0.00 ? 8 LYS A CA 9 ATOM 4536 C C . LYS A 1 8 ? 1.533 -5.279 2.529 1.00 0.00 ? 8 LYS A C 9 ATOM 4537 O O . LYS A 1 8 ? 1.635 -6.501 2.680 1.00 0.00 ? 8 LYS A O 9 ATOM 4538 C CB . LYS A 1 8 ? 0.051 -4.047 4.171 1.00 0.00 ? 8 LYS A CB 9 ATOM 4539 C CG . LYS A 1 8 ? -0.876 -2.825 4.217 1.00 0.00 ? 8 LYS A CG 9 ATOM 4540 C CD . LYS A 1 8 ? -1.083 -2.283 5.638 1.00 0.00 ? 8 LYS A CD 9 ATOM 4541 C CE . LYS A 1 8 ? 0.181 -1.598 6.176 1.00 0.00 ? 8 LYS A CE 9 ATOM 4542 N NZ . LYS A 1 8 ? -0.032 -1.061 7.545 1.00 0.00 ? 8 LYS A NZ 9 ATOM 4543 H H . LYS A 1 8 ? -1.574 -5.734 3.015 1.00 0.00 ? 8 LYS A H 9 ATOM 4544 H HA . LYS A 1 8 ? 0.251 -3.674 2.080 1.00 0.00 ? 8 LYS A HA 9 ATOM 4545 H HB2 . LYS A 1 8 ? -0.339 -4.845 4.806 1.00 0.00 ? 8 LYS A HB2 9 ATOM 4546 H HB3 . LYS A 1 8 ? 1.031 -3.752 4.549 1.00 0.00 ? 8 LYS A HB3 9 ATOM 4547 H HG2 . LYS A 1 8 ? -0.451 -2.031 3.597 1.00 0.00 ? 8 LYS A HG2 9 ATOM 4548 H HG3 . LYS A 1 8 ? -1.842 -3.114 3.803 1.00 0.00 ? 8 LYS A HG3 9 ATOM 4549 H HD2 . LYS A 1 8 ? -1.894 -1.552 5.610 1.00 0.00 ? 8 LYS A HD2 9 ATOM 4550 H HD3 . LYS A 1 8 ? -1.377 -3.099 6.299 1.00 0.00 ? 8 LYS A HD3 9 ATOM 4551 H HE2 . LYS A 1 8 ? 1.010 -2.312 6.185 1.00 0.00 ? 8 LYS A HE2 9 ATOM 4552 H HE3 . LYS A 1 8 ? 0.453 -0.783 5.497 1.00 0.00 ? 8 LYS A HE3 9 ATOM 4553 H HZ1 . LYS A 1 8 ? -0.274 -1.799 8.194 1.00 0.00 ? 8 LYS A HZ1 9 ATOM 4554 H HZ2 . LYS A 1 8 ? 0.803 -0.610 7.895 1.00 0.00 ? 8 LYS A HZ2 9 ATOM 4555 H HZ3 . LYS A 1 8 ? -0.777 -0.378 7.560 1.00 0.00 ? 8 LYS A HZ3 9 ATOM 4556 N N . ARG A 1 9 ? 2.557 -4.498 2.193 1.00 0.00 ? 9 ARG A N 9 ATOM 4557 C CA . ARG A 1 9 ? 3.913 -4.928 1.813 1.00 0.00 ? 9 ARG A CA 9 ATOM 4558 C C . ARG A 1 9 ? 4.946 -3.932 2.361 1.00 0.00 ? 9 ARG A C 9 ATOM 4559 O O . ARG A 1 9 ? 4.586 -2.816 2.743 1.00 0.00 ? 9 ARG A O 9 ATOM 4560 C CB . ARG A 1 9 ? 3.952 -5.016 0.273 1.00 0.00 ? 9 ARG A CB 9 ATOM 4561 C CG . ARG A 1 9 ? 4.793 -6.171 -0.290 1.00 0.00 ? 9 ARG A CG 9 ATOM 4562 C CD . ARG A 1 9 ? 4.163 -7.538 0.009 1.00 0.00 ? 9 ARG A CD 9 ATOM 4563 N NE . ARG A 1 9 ? 4.817 -8.609 -0.769 1.00 0.00 ? 9 ARG A NE 9 ATOM 4564 C CZ . ARG A 1 9 ? 4.332 -9.815 -1.010 1.00 0.00 ? 9 ARG A CZ 9 ATOM 4565 N NH1 . ARG A 1 9 ? 4.989 -10.647 -1.765 1.00 0.00 ? 9 ARG A NH1 9 ATOM 4566 N NH2 . ARG A 1 9 ? 3.198 -10.222 -0.511 1.00 0.00 ? 9 ARG A NH2 9 ATOM 4567 H H . ARG A 1 9 ? 2.352 -3.506 2.109 1.00 0.00 ? 9 ARG A H 9 ATOM 4568 H HA . ARG A 1 9 ? 4.122 -5.901 2.260 1.00 0.00 ? 9 ARG A HA 9 ATOM 4569 H HB2 . ARG A 1 9 ? 2.939 -5.133 -0.117 1.00 0.00 ? 9 ARG A HB2 9 ATOM 4570 H HB3 . ARG A 1 9 ? 4.325 -4.073 -0.122 1.00 0.00 ? 9 ARG A HB3 9 ATOM 4571 H HG2 . ARG A 1 9 ? 4.843 -6.049 -1.374 1.00 0.00 ? 9 ARG A HG2 9 ATOM 4572 H HG3 . ARG A 1 9 ? 5.804 -6.132 0.119 1.00 0.00 ? 9 ARG A HG3 9 ATOM 4573 H HD2 . ARG A 1 9 ? 4.255 -7.758 1.076 1.00 0.00 ? 9 ARG A HD2 9 ATOM 4574 H HD3 . ARG A 1 9 ? 3.104 -7.496 -0.256 1.00 0.00 ? 9 ARG A HD3 9 ATOM 4575 H HE . ARG A 1 9 ? 5.709 -8.396 -1.187 1.00 0.00 ? 9 ARG A HE 9 ATOM 4576 H HH11 . ARG A 1 9 ? 5.867 -10.374 -2.176 1.00 0.00 ? 9 ARG A HH11 9 ATOM 4577 H HH12 . ARG A 1 9 ? 4.620 -11.567 -1.944 1.00 0.00 ? 9 ARG A HH12 9 ATOM 4578 H HH21 . ARG A 1 9 ? 2.863 -11.152 -0.700 1.00 0.00 ? 9 ARG A HH21 9 ATOM 4579 H HH22 . ARG A 1 9 ? 2.685 -9.613 0.103 1.00 0.00 ? 9 ARG A HH22 9 ATOM 4580 N N . MET A 1 10 ? 6.227 -4.307 2.405 1.00 0.00 ? 10 MET A N 9 ATOM 4581 C CA . MET A 1 10 ? 7.278 -3.456 2.984 1.00 0.00 ? 10 MET A CA 9 ATOM 4582 C C . MET A 1 10 ? 8.670 -3.757 2.407 1.00 0.00 ? 10 MET A C 9 ATOM 4583 O O . MET A 1 10 ? 9.062 -4.917 2.249 1.00 0.00 ? 10 MET A O 9 ATOM 4584 C CB . MET A 1 10 ? 7.279 -3.604 4.518 1.00 0.00 ? 10 MET A CB 9 ATOM 4585 C CG . MET A 1 10 ? 8.123 -2.528 5.215 1.00 0.00 ? 10 MET A CG 9 ATOM 4586 S SD . MET A 1 10 ? 8.251 -2.693 7.017 1.00 0.00 ? 10 MET A SD 9 ATOM 4587 C CE . MET A 1 10 ? 9.426 -4.072 7.125 1.00 0.00 ? 10 MET A CE 9 ATOM 4588 H H . MET A 1 10 ? 6.478 -5.228 2.076 1.00 0.00 ? 10 MET A H 9 ATOM 4589 H HA . MET A 1 10 ? 7.035 -2.424 2.743 1.00 0.00 ? 10 MET A HA 9 ATOM 4590 H HB2 . MET A 1 10 ? 6.258 -3.521 4.894 1.00 0.00 ? 10 MET A HB2 9 ATOM 4591 H HB3 . MET A 1 10 ? 7.658 -4.592 4.781 1.00 0.00 ? 10 MET A HB3 9 ATOM 4592 H HG2 . MET A 1 10 ? 9.131 -2.524 4.803 1.00 0.00 ? 10 MET A HG2 9 ATOM 4593 H HG3 . MET A 1 10 ? 7.670 -1.560 5.005 1.00 0.00 ? 10 MET A HG3 9 ATOM 4594 H HE1 . MET A 1 10 ? 8.993 -4.968 6.680 1.00 0.00 ? 10 MET A HE1 9 ATOM 4595 H HE2 . MET A 1 10 ? 10.346 -3.816 6.599 1.00 0.00 ? 10 MET A HE2 9 ATOM 4596 H HE3 . MET A 1 10 ? 9.658 -4.272 8.172 1.00 0.00 ? 10 MET A HE3 9 ATOM 4597 N N . PHE A 1 11 ? 9.416 -2.695 2.101 1.00 0.00 ? 11 PHE A N 9 ATOM 4598 C CA . PHE A 1 11 ? 10.812 -2.720 1.661 1.00 0.00 ? 11 PHE A CA 9 ATOM 4599 C C . PHE A 1 11 ? 11.839 -3.030 2.765 1.00 0.00 ? 11 PHE A C 9 ATOM 4600 O O . PHE A 1 11 ? 11.564 -2.832 3.953 1.00 0.00 ? 11 PHE A O 9 ATOM 4601 C CB . PHE A 1 11 ? 11.143 -1.404 0.940 1.00 0.00 ? 11 PHE A CB 9 ATOM 4602 C CG . PHE A 1 11 ? 10.438 -1.201 -0.388 1.00 0.00 ? 11 PHE A CG 9 ATOM 4603 C CD1 . PHE A 1 11 ? 9.386 -0.270 -0.490 1.00 0.00 ? 11 PHE A CD1 9 ATOM 4604 C CD2 . PHE A 1 11 ? 10.843 -1.917 -1.531 1.00 0.00 ? 11 PHE A CD2 9 ATOM 4605 C CE1 . PHE A 1 11 ? 8.757 -0.041 -1.725 1.00 0.00 ? 11 PHE A CE1 9 ATOM 4606 C CE2 . PHE A 1 11 ? 10.206 -1.695 -2.766 1.00 0.00 ? 11 PHE A CE2 9 ATOM 4607 C CZ . PHE A 1 11 ? 9.165 -0.754 -2.865 1.00 0.00 ? 11 PHE A CZ 9 ATOM 4608 H H . PHE A 1 11 ? 9.003 -1.781 2.258 1.00 0.00 ? 11 PHE A H 9 ATOM 4609 H HA . PHE A 1 11 ? 10.913 -3.521 0.925 1.00 0.00 ? 11 PHE A HA 9 ATOM 4610 H HB2 . PHE A 1 11 ? 10.897 -0.578 1.609 1.00 0.00 ? 11 PHE A HB2 9 ATOM 4611 H HB3 . PHE A 1 11 ? 12.218 -1.368 0.743 1.00 0.00 ? 11 PHE A HB3 9 ATOM 4612 H HD1 . PHE A 1 11 ? 9.049 0.269 0.380 1.00 0.00 ? 11 PHE A HD1 9 ATOM 4613 H HD2 . PHE A 1 11 ? 11.654 -2.629 -1.466 1.00 0.00 ? 11 PHE A HD2 9 ATOM 4614 H HE1 . PHE A 1 11 ? 7.944 0.669 -1.785 1.00 0.00 ? 11 PHE A HE1 9 ATOM 4615 H HE2 . PHE A 1 11 ? 10.522 -2.245 -3.644 1.00 0.00 ? 11 PHE A HE2 9 ATOM 4616 H HZ . PHE A 1 11 ? 8.672 -0.586 -3.814 1.00 0.00 ? 11 PHE A HZ 9 ATOM 4617 N N . ALA A 1 12 ? 13.053 -3.449 2.390 1.00 0.00 ? 12 ALA A N 9 ATOM 4618 C CA . ALA A 1 12 ? 14.141 -3.761 3.329 1.00 0.00 ? 12 ALA A CA 9 ATOM 4619 C C . ALA A 1 12 ? 14.609 -2.555 4.182 1.00 0.00 ? 12 ALA A C 9 ATOM 4620 O O . ALA A 1 12 ? 15.153 -2.741 5.274 1.00 0.00 ? 12 ALA A O 9 ATOM 4621 C CB . ALA A 1 12 ? 15.304 -4.346 2.519 1.00 0.00 ? 12 ALA A CB 9 ATOM 4622 H H . ALA A 1 12 ? 13.229 -3.588 1.405 1.00 0.00 ? 12 ALA A H 9 ATOM 4623 H HA . ALA A 1 12 ? 13.788 -4.527 4.021 1.00 0.00 ? 12 ALA A HA 9 ATOM 4624 H HB1 . ALA A 1 12 ? 15.682 -3.604 1.814 1.00 0.00 ? 12 ALA A HB1 9 ATOM 4625 H HB2 . ALA A 1 12 ? 16.110 -4.640 3.193 1.00 0.00 ? 12 ALA A HB2 9 ATOM 4626 H HB3 . ALA A 1 12 ? 14.969 -5.227 1.970 1.00 0.00 ? 12 ALA A HB3 9 ATOM 4627 N N . ASN A 1 13 ? 14.374 -1.322 3.711 1.00 0.00 ? 13 ASN A N 9 ATOM 4628 C CA . ASN A 1 13 ? 14.638 -0.072 4.441 1.00 0.00 ? 13 ASN A CA 9 ATOM 4629 C C . ASN A 1 13 ? 13.538 0.316 5.465 1.00 0.00 ? 13 ASN A C 9 ATOM 4630 O O . ASN A 1 13 ? 13.678 1.328 6.156 1.00 0.00 ? 13 ASN A O 9 ATOM 4631 C CB . ASN A 1 13 ? 14.898 1.059 3.418 1.00 0.00 ? 13 ASN A CB 9 ATOM 4632 C CG . ASN A 1 13 ? 13.719 1.363 2.506 1.00 0.00 ? 13 ASN A CG 9 ATOM 4633 O OD1 . ASN A 1 13 ? 12.585 0.986 2.796 1.00 0.00 ? 13 ASN A OD1 9 ATOM 4634 N ND2 . ASN A 1 13 ? 13.959 2.073 1.415 1.00 0.00 ? 13 ASN A ND2 9 ATOM 4635 H H . ASN A 1 13 ? 13.928 -1.252 2.809 1.00 0.00 ? 13 ASN A H 9 ATOM 4636 H HA . ASN A 1 13 ? 15.554 -0.204 5.020 1.00 0.00 ? 13 ASN A HA 9 ATOM 4637 H HB2 . ASN A 1 13 ? 15.159 1.977 3.951 1.00 0.00 ? 13 ASN A HB2 9 ATOM 4638 H HB3 . ASN A 1 13 ? 15.749 0.771 2.795 1.00 0.00 ? 13 ASN A HB3 9 ATOM 4639 H HD21 . ASN A 1 13 ? 14.903 2.386 1.238 1.00 0.00 ? 13 ASN A HD21 9 ATOM 4640 N N . GLY A 1 14 ? 12.443 -0.451 5.560 1.00 0.00 ? 14 GLY A N 9 ATOM 4641 C CA . GLY A 1 14 ? 11.306 -0.177 6.451 1.00 0.00 ? 14 GLY A CA 9 ATOM 4642 C C . GLY A 1 14 ? 10.200 0.714 5.861 1.00 0.00 ? 14 GLY A C 9 ATOM 4643 O O . GLY A 1 14 ? 9.419 1.293 6.619 1.00 0.00 ? 14 GLY A O 9 ATOM 4644 H H . GLY A 1 14 ? 12.383 -1.272 4.968 1.00 0.00 ? 14 GLY A H 9 ATOM 4645 H HA2 . GLY A 1 14 ? 10.848 -1.132 6.713 1.00 0.00 ? 14 GLY A HA2 9 ATOM 4646 H HA3 . GLY A 1 14 ? 11.667 0.296 7.367 1.00 0.00 ? 14 GLY A HA3 9 ATOM 4647 N N . THR A 1 15 ? 10.106 0.830 4.531 1.00 0.00 ? 15 THR A N 9 ATOM 4648 C CA . THR A 1 15 ? 9.084 1.635 3.832 1.00 0.00 ? 15 THR A CA 9 ATOM 4649 C C . THR A 1 15 ? 7.893 0.761 3.442 1.00 0.00 ? 15 THR A C 9 ATOM 4650 O O . THR A 1 15 ? 8.070 -0.257 2.774 1.00 0.00 ? 15 THR A O 9 ATOM 4651 C CB . THR A 1 15 ? 9.678 2.259 2.558 1.00 0.00 ? 15 THR A CB 9 ATOM 4652 O OG1 . THR A 1 15 ? 10.789 3.065 2.870 1.00 0.00 ? 15 THR A OG1 9 ATOM 4653 C CG2 . THR A 1 15 ? 8.684 3.105 1.771 1.00 0.00 ? 15 THR A CG2 9 ATOM 4654 H H . THR A 1 15 ? 10.800 0.366 3.961 1.00 0.00 ? 15 THR A H 9 ATOM 4655 H HA . THR A 1 15 ? 8.739 2.443 4.476 1.00 0.00 ? 15 THR A HA 9 ATOM 4656 H HB . THR A 1 15 ? 10.029 1.463 1.907 1.00 0.00 ? 15 THR A HB 9 ATOM 4657 H HG1 . THR A 1 15 ? 11.472 2.438 3.164 1.00 0.00 ? 15 THR A HG1 9 ATOM 4658 H HG21 . THR A 1 15 ? 8.225 3.843 2.427 1.00 0.00 ? 15 THR A HG21 9 ATOM 4659 H HG22 . THR A 1 15 ? 9.201 3.609 0.955 1.00 0.00 ? 15 THR A HG22 9 ATOM 4660 H HG23 . THR A 1 15 ? 7.917 2.459 1.342 1.00 0.00 ? 15 THR A HG23 9 ATOM 4661 N N . VAL A 1 16 ? 6.675 1.162 3.818 1.00 0.00 ? 16 VAL A N 9 ATOM 4662 C CA . VAL A 1 16 ? 5.440 0.381 3.601 1.00 0.00 ? 16 VAL A CA 9 ATOM 4663 C C . VAL A 1 16 ? 4.762 0.835 2.303 1.00 0.00 ? 16 VAL A C 9 ATOM 4664 O O . VAL A 1 16 ? 4.750 2.023 1.965 1.00 0.00 ? 16 VAL A O 9 ATOM 4665 C CB . VAL A 1 16 ? 4.484 0.547 4.804 1.00 0.00 ? 16 VAL A CB 9 ATOM 4666 C CG1 . VAL A 1 16 ? 3.071 -0.011 4.575 1.00 0.00 ? 16 VAL A CG1 9 ATOM 4667 C CG2 . VAL A 1 16 ? 5.047 -0.170 6.038 1.00 0.00 ? 16 VAL A CG2 9 ATOM 4668 H H . VAL A 1 16 ? 6.596 2.033 4.326 1.00 0.00 ? 16 VAL A H 9 ATOM 4669 H HA . VAL A 1 16 ? 5.684 -0.676 3.508 1.00 0.00 ? 16 VAL A HA 9 ATOM 4670 H HB . VAL A 1 16 ? 4.388 1.609 5.034 1.00 0.00 ? 16 VAL A HB 9 ATOM 4671 H HG11 . VAL A 1 16 ? 2.486 0.100 5.487 1.00 0.00 ? 16 VAL A HG11 9 ATOM 4672 H HG12 . VAL A 1 16 ? 2.563 0.545 3.788 1.00 0.00 ? 16 VAL A HG12 9 ATOM 4673 H HG13 . VAL A 1 16 ? 3.120 -1.066 4.304 1.00 0.00 ? 16 VAL A HG13 9 ATOM 4674 H HG21 . VAL A 1 16 ? 5.133 -1.239 5.840 1.00 0.00 ? 16 VAL A HG21 9 ATOM 4675 H HG22 . VAL A 1 16 ? 6.029 0.229 6.294 1.00 0.00 ? 16 VAL A HG22 9 ATOM 4676 H HG23 . VAL A 1 16 ? 4.379 -0.023 6.887 1.00 0.00 ? 16 VAL A HG23 9 ATOM 4677 N N . TYR A 1 17 ? 4.180 -0.125 1.585 1.00 0.00 ? 17 TYR A N 9 ATOM 4678 C CA . TYR A 1 17 ? 3.429 0.065 0.339 1.00 0.00 ? 17 TYR A CA 9 ATOM 4679 C C . TYR A 1 17 ? 2.361 -1.046 0.225 1.00 0.00 ? 17 TYR A C 9 ATOM 4680 O O . TYR A 1 17 ? 2.196 -1.873 1.128 1.00 0.00 ? 17 TYR A O 9 ATOM 4681 C CB . TYR A 1 17 ? 4.421 0.053 -0.842 1.00 0.00 ? 17 TYR A CB 9 ATOM 4682 C CG . TYR A 1 17 ? 5.113 -1.265 -1.160 1.00 0.00 ? 17 TYR A CG 9 ATOM 4683 C CD1 . TYR A 1 17 ? 6.242 -1.670 -0.420 1.00 0.00 ? 17 TYR A CD1 9 ATOM 4684 C CD2 . TYR A 1 17 ? 4.677 -2.045 -2.251 1.00 0.00 ? 17 TYR A CD2 9 ATOM 4685 C CE1 . TYR A 1 17 ? 6.949 -2.832 -0.786 1.00 0.00 ? 17 TYR A CE1 9 ATOM 4686 C CE2 . TYR A 1 17 ? 5.369 -3.218 -2.608 1.00 0.00 ? 17 TYR A CE2 9 ATOM 4687 C CZ . TYR A 1 17 ? 6.521 -3.603 -1.888 1.00 0.00 ? 17 TYR A CZ 9 ATOM 4688 O OH . TYR A 1 17 ? 7.210 -4.717 -2.255 1.00 0.00 ? 17 TYR A OH 9 ATOM 4689 H H . TYR A 1 17 ? 4.207 -1.070 1.955 1.00 0.00 ? 17 TYR A H 9 ATOM 4690 H HA . TYR A 1 17 ? 2.916 1.028 0.357 1.00 0.00 ? 17 TYR A HA 9 ATOM 4691 H HB2 . TYR A 1 17 ? 3.896 0.386 -1.735 1.00 0.00 ? 17 TYR A HB2 9 ATOM 4692 H HB3 . TYR A 1 17 ? 5.192 0.803 -0.656 1.00 0.00 ? 17 TYR A HB3 9 ATOM 4693 H HD1 . TYR A 1 17 ? 6.594 -1.063 0.405 1.00 0.00 ? 17 TYR A HD1 9 ATOM 4694 H HD2 . TYR A 1 17 ? 3.821 -1.733 -2.835 1.00 0.00 ? 17 TYR A HD2 9 ATOM 4695 H HE1 . TYR A 1 17 ? 7.838 -3.118 -0.245 1.00 0.00 ? 17 TYR A HE1 9 ATOM 4696 H HE2 . TYR A 1 17 ? 5.033 -3.823 -3.439 1.00 0.00 ? 17 TYR A HE2 9 ATOM 4697 H HH . TYR A 1 17 ? 8.035 -4.802 -1.764 1.00 0.00 ? 17 TYR A HH 9 ATOM 4698 N N . TYR A 1 18 ? 1.606 -1.057 -0.872 1.00 0.00 ? 18 TYR A N 9 ATOM 4699 C CA . TYR A 1 18 ? 0.548 -2.028 -1.166 1.00 0.00 ? 18 TYR A CA 9 ATOM 4700 C C . TYR A 1 18 ? 0.879 -2.864 -2.408 1.00 0.00 ? 18 TYR A C 9 ATOM 4701 O O . TYR A 1 18 ? 1.395 -2.334 -3.397 1.00 0.00 ? 18 TYR A O 9 ATOM 4702 C CB . TYR A 1 18 ? -0.798 -1.306 -1.310 1.00 0.00 ? 18 TYR A CB 9 ATOM 4703 C CG . TYR A 1 18 ? -1.230 -0.561 -0.060 1.00 0.00 ? 18 TYR A CG 9 ATOM 4704 C CD1 . TYR A 1 18 ? -0.866 0.790 0.107 1.00 0.00 ? 18 TYR A CD1 9 ATOM 4705 C CD2 . TYR A 1 18 ? -1.975 -1.217 0.940 1.00 0.00 ? 18 TYR A CD2 9 ATOM 4706 C CE1 . TYR A 1 18 ? -1.238 1.486 1.273 1.00 0.00 ? 18 TYR A CE1 9 ATOM 4707 C CE2 . TYR A 1 18 ? -2.360 -0.519 2.103 1.00 0.00 ? 18 TYR A CE2 9 ATOM 4708 C CZ . TYR A 1 18 ? -1.989 0.833 2.272 1.00 0.00 ? 18 TYR A CZ 9 ATOM 4709 O OH . TYR A 1 18 ? -2.352 1.509 3.395 1.00 0.00 ? 18 TYR A OH 9 ATOM 4710 H H . TYR A 1 18 ? 1.772 -0.343 -1.572 1.00 0.00 ? 18 TYR A H 9 ATOM 4711 H HA . TYR A 1 18 ? 0.451 -2.722 -0.329 1.00 0.00 ? 18 TYR A HA 9 ATOM 4712 H HB2 . TYR A 1 18 ? -0.735 -0.601 -2.145 1.00 0.00 ? 18 TYR A HB2 9 ATOM 4713 H HB3 . TYR A 1 18 ? -1.564 -2.048 -1.551 1.00 0.00 ? 18 TYR A HB3 9 ATOM 4714 H HD1 . TYR A 1 18 ? -0.295 1.295 -0.664 1.00 0.00 ? 18 TYR A HD1 9 ATOM 4715 H HD2 . TYR A 1 18 ? -2.248 -2.258 0.820 1.00 0.00 ? 18 TYR A HD2 9 ATOM 4716 H HE1 . TYR A 1 18 ? -0.957 2.521 1.404 1.00 0.00 ? 18 TYR A HE1 9 ATOM 4717 H HE2 . TYR A 1 18 ? -2.927 -1.022 2.872 1.00 0.00 ? 18 TYR A HE2 9 ATOM 4718 H HH . TYR A 1 18 ? -2.894 0.968 3.981 1.00 0.00 ? 18 TYR A HH 9 ATOM 4719 N N . PHE A 1 19 ? 0.573 -4.161 -2.371 1.00 0.00 ? 19 PHE A N 9 ATOM 4720 C CA . PHE A 1 19 ? 0.907 -5.117 -3.428 1.00 0.00 ? 19 PHE A CA 9 ATOM 4721 C C . PHE A 1 19 ? -0.229 -6.092 -3.760 1.00 0.00 ? 19 PHE A C 9 ATOM 4722 O O . PHE A 1 19 ? -0.845 -6.652 -2.851 1.00 0.00 ? 19 PHE A O 9 ATOM 4723 C CB . PHE A 1 19 ? 2.215 -5.837 -3.075 1.00 0.00 ? 19 PHE A CB 9 ATOM 4724 C CG . PHE A 1 19 ? 2.591 -6.907 -4.074 1.00 0.00 ? 19 PHE A CG 9 ATOM 4725 C CD1 . PHE A 1 19 ? 3.090 -6.490 -5.317 1.00 0.00 ? 19 PHE A CD1 9 ATOM 4726 C CD2 . PHE A 1 19 ? 2.405 -8.280 -3.817 1.00 0.00 ? 19 PHE A CD2 9 ATOM 4727 C CE1 . PHE A 1 19 ? 3.398 -7.426 -6.310 1.00 0.00 ? 19 PHE A CE1 9 ATOM 4728 C CE2 . PHE A 1 19 ? 2.745 -9.226 -4.803 1.00 0.00 ? 19 PHE A CE2 9 ATOM 4729 C CZ . PHE A 1 19 ? 3.238 -8.800 -6.051 1.00 0.00 ? 19 PHE A CZ 9 ATOM 4730 H H . PHE A 1 19 ? 0.151 -4.534 -1.525 1.00 0.00 ? 19 PHE A H 9 ATOM 4731 H HA . PHE A 1 19 ? 1.107 -4.571 -4.351 1.00 0.00 ? 19 PHE A HA 9 ATOM 4732 H HB2 . PHE A 1 19 ? 3.020 -5.101 -3.023 1.00 0.00 ? 19 PHE A HB2 9 ATOM 4733 H HB3 . PHE A 1 19 ? 2.109 -6.299 -2.091 1.00 0.00 ? 19 PHE A HB3 9 ATOM 4734 H HD1 . PHE A 1 19 ? 3.211 -5.438 -5.522 1.00 0.00 ? 19 PHE A HD1 9 ATOM 4735 H HD2 . PHE A 1 19 ? 1.992 -8.617 -2.874 1.00 0.00 ? 19 PHE A HD2 9 ATOM 4736 H HE1 . PHE A 1 19 ? 3.742 -7.067 -7.268 1.00 0.00 ? 19 PHE A HE1 9 ATOM 4737 H HE2 . PHE A 1 19 ? 2.614 -10.280 -4.606 1.00 0.00 ? 19 PHE A HE2 9 ATOM 4738 H HZ . PHE A 1 19 ? 3.480 -9.528 -6.814 1.00 0.00 ? 19 PHE A HZ 9 ATOM 4739 N N . ASN A 1 20 ? -0.510 -6.305 -5.048 1.00 0.00 ? 20 ASN A N 9 ATOM 4740 C CA . ASN A 1 20 ? -1.519 -7.252 -5.515 1.00 0.00 ? 20 ASN A CA 9 ATOM 4741 C C . ASN A 1 20 ? -0.870 -8.592 -5.903 1.00 0.00 ? 20 ASN A C 9 ATOM 4742 O O . ASN A 1 20 ? -0.107 -8.667 -6.867 1.00 0.00 ? 20 ASN A O 9 ATOM 4743 C CB . ASN A 1 20 ? -2.297 -6.624 -6.677 1.00 0.00 ? 20 ASN A CB 9 ATOM 4744 C CG . ASN A 1 20 ? -3.557 -7.414 -6.976 1.00 0.00 ? 20 ASN A CG 9 ATOM 4745 O OD1 . ASN A 1 20 ? -3.528 -8.617 -7.184 1.00 0.00 ? 20 ASN A OD1 9 ATOM 4746 N ND2 . ASN A 1 20 ? -4.700 -6.773 -7.019 1.00 0.00 ? 20 ASN A ND2 9 ATOM 4747 H H . ASN A 1 20 ? 0.043 -5.823 -5.749 1.00 0.00 ? 20 ASN A H 9 ATOM 4748 H HA . ASN A 1 20 ? -2.226 -7.435 -4.712 1.00 0.00 ? 20 ASN A HA 9 ATOM 4749 H HB2 . ASN A 1 20 ? -2.571 -5.603 -6.413 1.00 0.00 ? 20 ASN A HB2 9 ATOM 4750 H HB3 . ASN A 1 20 ? -1.674 -6.597 -7.572 1.00 0.00 ? 20 ASN A HB3 9 ATOM 4751 H HD21 . ASN A 1 20 ? -4.735 -5.792 -6.776 1.00 0.00 ? 20 ASN A HD21 9 ATOM 4752 H HD22 . ASN A 1 20 ? -5.550 -7.299 -7.154 1.00 0.00 ? 20 ASN A HD22 9 ATOM 4753 N N . HIS A 1 21 ? -1.198 -9.665 -5.179 1.00 0.00 ? 21 HIS A N 9 ATOM 4754 C CA . HIS A 1 21 ? -0.607 -10.994 -5.403 1.00 0.00 ? 21 HIS A CA 9 ATOM 4755 C C . HIS A 1 21 ? -1.147 -11.698 -6.665 1.00 0.00 ? 21 HIS A C 9 ATOM 4756 O O . HIS A 1 21 ? -0.464 -12.555 -7.231 1.00 0.00 ? 21 HIS A O 9 ATOM 4757 C CB . HIS A 1 21 ? -0.782 -11.844 -4.130 1.00 0.00 ? 21 HIS A CB 9 ATOM 4758 C CG . HIS A 1 21 ? -2.041 -12.682 -4.073 1.00 0.00 ? 21 HIS A CG 9 ATOM 4759 N ND1 . HIS A 1 21 ? -2.194 -13.954 -4.636 1.00 0.00 ? 21 HIS A ND1 9 ATOM 4760 C CD2 . HIS A 1 21 ? -3.184 -12.369 -3.394 1.00 0.00 ? 21 HIS A CD2 9 ATOM 4761 C CE1 . HIS A 1 21 ? -3.429 -14.366 -4.299 1.00 0.00 ? 21 HIS A CE1 9 ATOM 4762 N NE2 . HIS A 1 21 ? -4.045 -13.432 -3.556 1.00 0.00 ? 21 HIS A NE2 9 ATOM 4763 H H . HIS A 1 21 ? -1.872 -9.551 -4.428 1.00 0.00 ? 21 HIS A H 9 ATOM 4764 H HA . HIS A 1 21 ? 0.463 -10.860 -5.562 1.00 0.00 ? 21 HIS A HA 9 ATOM 4765 H HB2 . HIS A 1 21 ? 0.074 -12.521 -4.069 1.00 0.00 ? 21 HIS A HB2 9 ATOM 4766 H HB3 . HIS A 1 21 ? -0.745 -11.195 -3.249 1.00 0.00 ? 21 HIS A HB3 9 ATOM 4767 H HD2 . HIS A 1 21 ? -3.368 -11.464 -2.833 1.00 0.00 ? 21 HIS A HD2 9 ATOM 4768 H HE1 . HIS A 1 21 ? -3.865 -15.319 -4.579 1.00 0.00 ? 21 HIS A HE1 9 ATOM 4769 H HE2 . HIS A 1 21 ? -4.980 -13.519 -3.165 1.00 0.00 ? 21 HIS A HE2 9 ATOM 4770 N N . ILE A 1 22 ? -2.347 -11.325 -7.128 1.00 0.00 ? 22 ILE A N 9 ATOM 4771 C CA . ILE A 1 22 ? -3.029 -11.909 -8.293 1.00 0.00 ? 22 ILE A CA 9 ATOM 4772 C C . ILE A 1 22 ? -2.510 -11.296 -9.604 1.00 0.00 ? 22 ILE A C 9 ATOM 4773 O O . ILE A 1 22 ? -2.304 -12.006 -10.592 1.00 0.00 ? 22 ILE A O 9 ATOM 4774 C CB . ILE A 1 22 ? -4.561 -11.693 -8.153 1.00 0.00 ? 22 ILE A CB 9 ATOM 4775 C CG1 . ILE A 1 22 ? -5.072 -12.256 -6.802 1.00 0.00 ? 22 ILE A CG1 9 ATOM 4776 C CG2 . ILE A 1 22 ? -5.308 -12.337 -9.334 1.00 0.00 ? 22 ILE A CG2 9 ATOM 4777 C CD1 . ILE A 1 22 ? -6.586 -12.159 -6.579 1.00 0.00 ? 22 ILE A CD1 9 ATOM 4778 H H . ILE A 1 22 ? -2.827 -10.575 -6.648 1.00 0.00 ? 22 ILE A H 9 ATOM 4779 H HA . ILE A 1 22 ? -2.833 -12.982 -8.320 1.00 0.00 ? 22 ILE A HA 9 ATOM 4780 H HB . ILE A 1 22 ? -4.765 -10.618 -8.179 1.00 0.00 ? 22 ILE A HB 9 ATOM 4781 H HG12 . ILE A 1 22 ? -4.778 -13.305 -6.713 1.00 0.00 ? 22 ILE A HG12 9 ATOM 4782 H HG13 . ILE A 1 22 ? -4.599 -11.701 -5.990 1.00 0.00 ? 22 ILE A HG13 9 ATOM 4783 H HG21 . ILE A 1 22 ? -4.967 -11.916 -10.279 1.00 0.00 ? 22 ILE A HG21 9 ATOM 4784 H HG22 . ILE A 1 22 ? -5.142 -13.414 -9.336 1.00 0.00 ? 22 ILE A HG22 9 ATOM 4785 H HG23 . ILE A 1 22 ? -6.375 -12.132 -9.263 1.00 0.00 ? 22 ILE A HG23 9 ATOM 4786 H HD11 . ILE A 1 22 ? -7.113 -12.861 -7.226 1.00 0.00 ? 22 ILE A HD11 9 ATOM 4787 H HD12 . ILE A 1 22 ? -6.812 -12.411 -5.542 1.00 0.00 ? 22 ILE A HD12 9 ATOM 4788 H HD13 . ILE A 1 22 ? -6.930 -11.144 -6.781 1.00 0.00 ? 22 ILE A HD13 9 ATOM 4789 N N . THR A 1 23 ? -2.275 -9.982 -9.605 1.00 0.00 ? 23 THR A N 9 ATOM 4790 C CA . THR A 1 23 ? -1.942 -9.167 -10.790 1.00 0.00 ? 23 THR A CA 9 ATOM 4791 C C . THR A 1 23 ? -0.503 -8.650 -10.867 1.00 0.00 ? 23 THR A C 9 ATOM 4792 O O . THR A 1 23 ? -0.095 -8.109 -11.898 1.00 0.00 ? 23 THR A O 9 ATOM 4793 C CB . THR A 1 23 ? -2.948 -8.017 -10.971 1.00 0.00 ? 23 THR A CB 9 ATOM 4794 O OG1 . THR A 1 23 ? -2.643 -6.983 -10.065 1.00 0.00 ? 23 THR A OG1 9 ATOM 4795 C CG2 . THR A 1 23 ? -4.408 -8.394 -10.723 1.00 0.00 ? 23 THR A CG2 9 ATOM 4796 H H . THR A 1 23 ? -2.498 -9.480 -8.751 1.00 0.00 ? 23 THR A H 9 ATOM 4797 H HA . THR A 1 23 ? -2.063 -9.799 -11.670 1.00 0.00 ? 23 THR A HA 9 ATOM 4798 H HB . THR A 1 23 ? -2.857 -7.629 -11.985 1.00 0.00 ? 23 THR A HB 9 ATOM 4799 H HG1 . THR A 1 23 ? -3.489 -6.578 -9.837 1.00 0.00 ? 23 THR A HG1 9 ATOM 4800 H HG21 . THR A 1 23 ? -5.050 -7.561 -11.011 1.00 0.00 ? 23 THR A HG21 9 ATOM 4801 H HG22 . THR A 1 23 ? -4.667 -9.262 -11.329 1.00 0.00 ? 23 THR A HG22 9 ATOM 4802 H HG23 . THR A 1 23 ? -4.576 -8.623 -9.672 1.00 0.00 ? 23 THR A HG23 9 ATOM 4803 N N . ASN A 1 24 ? 0.272 -8.816 -9.790 1.00 0.00 ? 24 ASN A N 9 ATOM 4804 C CA . ASN A 1 24 ? 1.615 -8.258 -9.584 1.00 0.00 ? 24 ASN A CA 9 ATOM 4805 C C . ASN A 1 24 ? 1.691 -6.711 -9.608 1.00 0.00 ? 24 ASN A C 9 ATOM 4806 O O . ASN A 1 24 ? 2.788 -6.147 -9.676 1.00 0.00 ? 24 ASN A O 9 ATOM 4807 C CB . ASN A 1 24 ? 2.649 -8.961 -10.488 1.00 0.00 ? 24 ASN A CB 9 ATOM 4808 C CG . ASN A 1 24 ? 2.698 -10.463 -10.262 1.00 0.00 ? 24 ASN A CG 9 ATOM 4809 O OD1 . ASN A 1 24 ? 3.044 -10.946 -9.191 1.00 0.00 ? 24 ASN A OD1 9 ATOM 4810 N ND2 . ASN A 1 24 ? 2.400 -11.255 -11.268 1.00 0.00 ? 24 ASN A ND2 9 ATOM 4811 H H . ASN A 1 24 ? -0.152 -9.255 -8.984 1.00 0.00 ? 24 ASN A H 9 ATOM 4812 H HA . ASN A 1 24 ? 1.885 -8.515 -8.559 1.00 0.00 ? 24 ASN A HA 9 ATOM 4813 H HB2 . ASN A 1 24 ? 2.426 -8.749 -11.536 1.00 0.00 ? 24 ASN A HB2 9 ATOM 4814 H HB3 . ASN A 1 24 ? 3.644 -8.570 -10.265 1.00 0.00 ? 24 ASN A HB3 9 ATOM 4815 H HD21 . ASN A 1 24 ? 2.126 -10.861 -12.158 1.00 0.00 ? 24 ASN A HD21 9 ATOM 4816 H HD22 . ASN A 1 24 ? 2.445 -12.255 -11.121 1.00 0.00 ? 24 ASN A HD22 9 ATOM 4817 N N . ALA A 1 25 ? 0.552 -6.009 -9.539 1.00 0.00 ? 25 ALA A N 9 ATOM 4818 C CA . ALA A 1 25 ? 0.509 -4.552 -9.389 1.00 0.00 ? 25 ALA A CA 9 ATOM 4819 C C . ALA A 1 25 ? 1.046 -4.092 -8.015 1.00 0.00 ? 25 ALA A C 9 ATOM 4820 O O . ALA A 1 25 ? 0.957 -4.818 -7.022 1.00 0.00 ? 25 ALA A O 9 ATOM 4821 C CB . ALA A 1 25 ? -0.927 -4.070 -9.628 1.00 0.00 ? 25 ALA A CB 9 ATOM 4822 H H . ALA A 1 25 ? -0.327 -6.511 -9.516 1.00 0.00 ? 25 ALA A H 9 ATOM 4823 H HA . ALA A 1 25 ? 1.144 -4.109 -10.160 1.00 0.00 ? 25 ALA A HA 9 ATOM 4824 H HB1 . ALA A 1 25 ? -1.271 -4.400 -10.609 1.00 0.00 ? 25 ALA A HB1 9 ATOM 4825 H HB2 . ALA A 1 25 ? -1.590 -4.471 -8.861 1.00 0.00 ? 25 ALA A HB2 9 ATOM 4826 H HB3 . ALA A 1 25 ? -0.961 -2.981 -9.592 1.00 0.00 ? 25 ALA A HB3 9 ATOM 4827 N N . SER A 1 26 ? 1.573 -2.866 -7.944 1.00 0.00 ? 26 SER A N 9 ATOM 4828 C CA . SER A 1 26 ? 2.066 -2.237 -6.707 1.00 0.00 ? 26 SER A CA 9 ATOM 4829 C C . SER A 1 26 ? 1.749 -0.734 -6.660 1.00 0.00 ? 26 SER A C 9 ATOM 4830 O O . SER A 1 26 ? 1.679 -0.077 -7.703 1.00 0.00 ? 26 SER A O 9 ATOM 4831 C CB . SER A 1 26 ? 3.570 -2.478 -6.513 1.00 0.00 ? 26 SER A CB 9 ATOM 4832 O OG . SER A 1 26 ? 4.340 -1.943 -7.578 1.00 0.00 ? 26 SER A OG 9 ATOM 4833 H H . SER A 1 26 ? 1.587 -2.301 -8.783 1.00 0.00 ? 26 SER A H 9 ATOM 4834 H HA . SER A 1 26 ? 1.568 -2.717 -5.866 1.00 0.00 ? 26 SER A HA 9 ATOM 4835 H HB2 . SER A 1 26 ? 3.884 -2.012 -5.577 1.00 0.00 ? 26 SER A HB2 9 ATOM 4836 H HB3 . SER A 1 26 ? 3.760 -3.547 -6.435 1.00 0.00 ? 26 SER A HB3 9 ATOM 4837 H HG . SER A 1 26 ? 4.207 -2.508 -8.352 1.00 0.00 ? 26 SER A HG 9 ATOM 4838 N N . GLN A 1 27 ? 1.561 -0.180 -5.457 1.00 0.00 ? 27 GLN A N 9 ATOM 4839 C CA . GLN A 1 27 ? 1.281 1.247 -5.228 1.00 0.00 ? 27 GLN A CA 9 ATOM 4840 C C . GLN A 1 27 ? 1.716 1.721 -3.832 1.00 0.00 ? 27 GLN A C 9 ATOM 4841 O O . GLN A 1 27 ? 1.653 0.969 -2.860 1.00 0.00 ? 27 GLN A O 9 ATOM 4842 C CB . GLN A 1 27 ? -0.227 1.538 -5.413 1.00 0.00 ? 27 GLN A CB 9 ATOM 4843 C CG . GLN A 1 27 ? -0.568 2.314 -6.694 1.00 0.00 ? 27 GLN A CG 9 ATOM 4844 C CD . GLN A 1 27 ? 0.008 3.733 -6.748 1.00 0.00 ? 27 GLN A CD 9 ATOM 4845 O OE1 . GLN A 1 27 ? 0.537 4.279 -5.787 1.00 0.00 ? 27 GLN A OE1 9 ATOM 4846 N NE2 . GLN A 1 27 ? -0.074 4.395 -7.883 1.00 0.00 ? 27 GLN A NE2 9 ATOM 4847 H H . GLN A 1 27 ? 1.603 -0.782 -4.641 1.00 0.00 ? 27 GLN A H 9 ATOM 4848 H HA . GLN A 1 27 ? 1.850 1.831 -5.953 1.00 0.00 ? 27 GLN A HA 9 ATOM 4849 H HB2 . GLN A 1 27 ? -0.789 0.603 -5.408 1.00 0.00 ? 27 GLN A HB2 9 ATOM 4850 H HB3 . GLN A 1 27 ? -0.588 2.131 -4.577 1.00 0.00 ? 27 GLN A HB3 9 ATOM 4851 H HG2 . GLN A 1 27 ? -0.221 1.751 -7.559 1.00 0.00 ? 27 GLN A HG2 9 ATOM 4852 H HG3 . GLN A 1 27 ? -1.652 2.395 -6.759 1.00 0.00 ? 27 GLN A HG3 9 ATOM 4853 H HE21 . GLN A 1 27 ? -0.508 3.967 -8.693 1.00 0.00 ? 27 GLN A HE21 9 ATOM 4854 H HE22 . GLN A 1 27 ? 0.304 5.333 -7.916 1.00 0.00 ? 27 GLN A HE22 9 ATOM 4855 N N . PHE A 1 28 ? 2.115 2.990 -3.726 1.00 0.00 ? 28 PHE A N 9 ATOM 4856 C CA . PHE A 1 28 ? 2.357 3.677 -2.452 1.00 0.00 ? 28 PHE A CA 9 ATOM 4857 C C . PHE A 1 28 ? 1.096 4.231 -1.765 1.00 0.00 ? 28 PHE A C 9 ATOM 4858 O O . PHE A 1 28 ? 1.005 4.259 -0.536 1.00 0.00 ? 28 PHE A O 9 ATOM 4859 C CB . PHE A 1 28 ? 3.447 4.745 -2.617 1.00 0.00 ? 28 PHE A CB 9 ATOM 4860 C CG . PHE A 1 28 ? 4.848 4.185 -2.783 1.00 0.00 ? 28 PHE A CG 9 ATOM 4861 C CD1 . PHE A 1 28 ? 5.403 4.046 -4.071 1.00 0.00 ? 28 PHE A CD1 9 ATOM 4862 C CD2 . PHE A 1 28 ? 5.606 3.813 -1.655 1.00 0.00 ? 28 PHE A CD2 9 ATOM 4863 C CE1 . PHE A 1 28 ? 6.708 3.546 -4.230 1.00 0.00 ? 28 PHE A CE1 9 ATOM 4864 C CE2 . PHE A 1 28 ? 6.913 3.317 -1.816 1.00 0.00 ? 28 PHE A CE2 9 ATOM 4865 C CZ . PHE A 1 28 ? 7.465 3.184 -3.102 1.00 0.00 ? 28 PHE A CZ 9 ATOM 4866 H H . PHE A 1 28 ? 2.090 3.559 -4.564 1.00 0.00 ? 28 PHE A H 9 ATOM 4867 H HA . PHE A 1 28 ? 2.757 2.943 -1.752 1.00 0.00 ? 28 PHE A HA 9 ATOM 4868 H HB2 . PHE A 1 28 ? 3.200 5.382 -3.471 1.00 0.00 ? 28 PHE A HB2 9 ATOM 4869 H HB3 . PHE A 1 28 ? 3.450 5.372 -1.722 1.00 0.00 ? 28 PHE A HB3 9 ATOM 4870 H HD1 . PHE A 1 28 ? 4.827 4.328 -4.943 1.00 0.00 ? 28 PHE A HD1 9 ATOM 4871 H HD2 . PHE A 1 28 ? 5.187 3.911 -0.662 1.00 0.00 ? 28 PHE A HD2 9 ATOM 4872 H HE1 . PHE A 1 28 ? 7.132 3.442 -5.221 1.00 0.00 ? 28 PHE A HE1 9 ATOM 4873 H HE2 . PHE A 1 28 ? 7.494 3.038 -0.948 1.00 0.00 ? 28 PHE A HE2 9 ATOM 4874 H HZ . PHE A 1 28 ? 8.471 2.804 -3.224 1.00 0.00 ? 28 PHE A HZ 9 ATOM 4875 N N . GLU A 1 29 ? 0.111 4.647 -2.566 1.00 0.00 ? 29 GLU A N 9 ATOM 4876 C CA . GLU A 1 29 ? -1.242 5.021 -2.121 1.00 0.00 ? 29 GLU A CA 9 ATOM 4877 C C . GLU A 1 29 ? -2.125 3.778 -1.909 1.00 0.00 ? 29 GLU A C 9 ATOM 4878 O O . GLU A 1 29 ? -1.943 2.765 -2.593 1.00 0.00 ? 29 GLU A O 9 ATOM 4879 C CB . GLU A 1 29 ? -1.836 6.002 -3.153 1.00 0.00 ? 29 GLU A CB 9 ATOM 4880 C CG . GLU A 1 29 ? -3.342 6.328 -3.091 1.00 0.00 ? 29 GLU A CG 9 ATOM 4881 C CD . GLU A 1 29 ? -3.869 6.915 -1.762 1.00 0.00 ? 29 GLU A CD 9 ATOM 4882 O OE1 . GLU A 1 29 ? -3.199 6.813 -0.706 1.00 0.00 ? 29 GLU A OE1 9 ATOM 4883 O OE2 . GLU A 1 29 ? -4.992 7.477 -1.766 1.00 0.00 ? 29 GLU A OE2 9 ATOM 4884 H H . GLU A 1 29 ? 0.252 4.550 -3.566 1.00 0.00 ? 29 GLU A H 9 ATOM 4885 H HA . GLU A 1 29 ? -1.162 5.535 -1.163 1.00 0.00 ? 29 GLU A HA 9 ATOM 4886 H HB2 . GLU A 1 29 ? -1.285 6.942 -3.086 1.00 0.00 ? 29 GLU A HB2 9 ATOM 4887 H HB3 . GLU A 1 29 ? -1.650 5.588 -4.147 1.00 0.00 ? 29 GLU A HB3 9 ATOM 4888 H HG2 . GLU A 1 29 ? -3.557 7.035 -3.896 1.00 0.00 ? 29 GLU A HG2 9 ATOM 4889 H HG3 . GLU A 1 29 ? -3.898 5.418 -3.321 1.00 0.00 ? 29 GLU A HG3 9 ATOM 4890 N N . ARG A 1 30 ? -3.096 3.825 -0.983 1.00 0.00 ? 30 ARG A N 9 ATOM 4891 C CA . ARG A 1 30 ? -3.978 2.668 -0.744 1.00 0.00 ? 30 ARG A CA 9 ATOM 4892 C C . ARG A 1 30 ? -4.844 2.348 -1.982 1.00 0.00 ? 30 ARG A C 9 ATOM 4893 O O . ARG A 1 30 ? -5.391 3.268 -2.598 1.00 0.00 ? 30 ARG A O 9 ATOM 4894 C CB . ARG A 1 30 ? -4.751 2.775 0.586 1.00 0.00 ? 30 ARG A CB 9 ATOM 4895 C CG . ARG A 1 30 ? -5.790 3.898 0.775 1.00 0.00 ? 30 ARG A CG 9 ATOM 4896 C CD . ARG A 1 30 ? -7.111 3.799 -0.016 1.00 0.00 ? 30 ARG A CD 9 ATOM 4897 N NE . ARG A 1 30 ? -7.648 2.428 -0.159 1.00 0.00 ? 30 ARG A NE 9 ATOM 4898 C CZ . ARG A 1 30 ? -8.074 1.602 0.779 1.00 0.00 ? 30 ARG A CZ 9 ATOM 4899 N NH1 . ARG A 1 30 ? -8.151 1.926 2.039 1.00 0.00 ? 30 ARG A NH1 9 ATOM 4900 N NH2 . ARG A 1 30 ? -8.436 0.401 0.446 1.00 0.00 ? 30 ARG A NH2 9 ATOM 4901 H H . ARG A 1 30 ? -3.239 4.688 -0.470 1.00 0.00 ? 30 ARG A H 9 ATOM 4902 H HA . ARG A 1 30 ? -3.303 1.826 -0.609 1.00 0.00 ? 30 ARG A HA 9 ATOM 4903 H HB2 . ARG A 1 30 ? -5.225 1.814 0.784 1.00 0.00 ? 30 ARG A HB2 9 ATOM 4904 H HB3 . ARG A 1 30 ? -4.006 2.907 1.372 1.00 0.00 ? 30 ARG A HB3 9 ATOM 4905 H HG2 . ARG A 1 30 ? -6.051 3.908 1.836 1.00 0.00 ? 30 ARG A HG2 9 ATOM 4906 H HG3 . ARG A 1 30 ? -5.321 4.858 0.542 1.00 0.00 ? 30 ARG A HG3 9 ATOM 4907 H HD2 . ARG A 1 30 ? -7.855 4.431 0.472 1.00 0.00 ? 30 ARG A HD2 9 ATOM 4908 H HD3 . ARG A 1 30 ? -6.955 4.220 -1.009 1.00 0.00 ? 30 ARG A HD3 9 ATOM 4909 H HE . ARG A 1 30 ? -7.623 2.022 -1.089 1.00 0.00 ? 30 ARG A HE 9 ATOM 4910 H HH11 . ARG A 1 30 ? -7.909 2.860 2.324 1.00 0.00 ? 30 ARG A HH11 9 ATOM 4911 H HH12 . ARG A 1 30 ? -8.478 1.253 2.713 1.00 0.00 ? 30 ARG A HH12 9 ATOM 4912 H HH21 . ARG A 1 30 ? -8.391 0.140 -0.530 1.00 0.00 ? 30 ARG A HH21 9 ATOM 4913 H HH22 . ARG A 1 30 ? -8.709 -0.262 1.163 1.00 0.00 ? 30 ARG A HH22 9 ATOM 4914 N N . PRO A 1 31 ? -4.962 1.071 -2.389 1.00 0.00 ? 31 PRO A N 9 ATOM 4915 C CA . PRO A 1 31 ? -5.644 0.667 -3.620 1.00 0.00 ? 31 PRO A CA 9 ATOM 4916 C C . PRO A 1 31 ? -7.176 0.749 -3.521 1.00 0.00 ? 31 PRO A C 9 ATOM 4917 O O . PRO A 1 31 ? -7.749 0.667 -2.430 1.00 0.00 ? 31 PRO A O 9 ATOM 4918 C CB . PRO A 1 31 ? -5.171 -0.765 -3.888 1.00 0.00 ? 31 PRO A CB 9 ATOM 4919 C CG . PRO A 1 31 ? -4.887 -1.298 -2.487 1.00 0.00 ? 31 PRO A CG 9 ATOM 4920 C CD . PRO A 1 31 ? -4.323 -0.079 -1.773 1.00 0.00 ? 31 PRO A CD 9 ATOM 4921 H HA . PRO A 1 31 ? -5.317 1.302 -4.445 1.00 0.00 ? 31 PRO A HA 9 ATOM 4922 H HB2 . PRO A 1 31 ? -5.928 -1.359 -4.399 1.00 0.00 ? 31 PRO A HB2 9 ATOM 4923 H HB3 . PRO A 1 31 ? -4.244 -0.741 -4.465 1.00 0.00 ? 31 PRO A HB3 9 ATOM 4924 H HG2 . PRO A 1 31 ? -5.819 -1.596 -2.014 1.00 0.00 ? 31 PRO A HG2 9 ATOM 4925 H HG3 . PRO A 1 31 ? -4.169 -2.115 -2.490 1.00 0.00 ? 31 PRO A HG3 9 ATOM 4926 H HD2 . PRO A 1 31 ? -4.534 -0.126 -0.705 1.00 0.00 ? 31 PRO A HD2 9 ATOM 4927 H HD3 . PRO A 1 31 ? -3.248 -0.022 -1.949 1.00 0.00 ? 31 PRO A HD3 9 ATOM 4928 N N . SER A 1 32 ? -7.837 0.877 -4.674 1.00 0.00 ? 32 SER A N 9 ATOM 4929 C CA . SER A 1 32 ? -9.295 1.078 -4.801 1.00 0.00 ? 32 SER A CA 9 ATOM 4930 C C . SER A 1 32 ? -9.993 0.170 -5.835 1.00 0.00 ? 32 SER A C 9 ATOM 4931 O O . SER A 1 32 ? -11.222 0.216 -5.955 1.00 0.00 ? 32 SER A O 9 ATOM 4932 C CB . SER A 1 32 ? -9.573 2.557 -5.105 1.00 0.00 ? 32 SER A CB 9 ATOM 4933 O OG . SER A 1 32 ? -8.973 2.942 -6.335 1.00 0.00 ? 32 SER A OG 9 ATOM 4934 H H . SER A 1 32 ? -7.288 0.991 -5.515 1.00 0.00 ? 32 SER A H 9 ATOM 4935 H HA . SER A 1 32 ? -9.763 0.855 -3.843 1.00 0.00 ? 32 SER A HA 9 ATOM 4936 H HB2 . SER A 1 32 ? -10.651 2.724 -5.153 1.00 0.00 ? 32 SER A HB2 9 ATOM 4937 H HB3 . SER A 1 32 ? -9.165 3.168 -4.298 1.00 0.00 ? 32 SER A HB3 9 ATOM 4938 H HG . SER A 1 32 ? -9.157 3.882 -6.474 1.00 0.00 ? 32 SER A HG 9 ATOM 4939 N N . GLY A 1 33 ? -9.247 -0.679 -6.559 1.00 0.00 ? 33 GLY A N 9 ATOM 4940 C CA . GLY A 1 33 ? -9.773 -1.660 -7.526 1.00 0.00 ? 33 GLY A CA 9 ATOM 4941 C C . GLY A 1 33 ? -8.684 -2.420 -8.283 1.00 0.00 ? 33 GLY A C 9 ATOM 4942 O O . GLY A 1 33 ? -7.728 -2.903 -7.637 1.00 0.00 ? 33 GLY A O 9 ATOM 4943 O OXT . GLY A 1 33 ? -8.805 -2.532 -9.523 1.00 0.00 ? 33 GLY A OXT 9 ATOM 4944 H H . GLY A 1 33 ? -8.251 -0.689 -6.394 1.00 0.00 ? 33 GLY A H 9 ATOM 4945 H HA2 . GLY A 1 33 ? -10.388 -2.393 -7.006 1.00 0.00 ? 33 GLY A HA2 9 ATOM 4946 H HA3 . GLY A 1 33 ? -10.402 -1.147 -8.254 1.00 0.00 ? 33 GLY A HA3 9 HETATM 4947 C C1 . GAL B 2 . ? 12.975 2.254 0.364 1.00 0.00 ? 101 GAL A C1 9 HETATM 4948 C C2 . GAL B 2 . ? 12.776 3.731 -0.047 1.00 0.00 ? 101 GAL A C2 9 HETATM 4949 C C3 . GAL B 2 . ? 11.753 3.772 -1.198 1.00 0.00 ? 101 GAL A C3 9 HETATM 4950 C C4 . GAL B 2 . ? 12.211 2.904 -2.387 1.00 0.00 ? 101 GAL A C4 9 HETATM 4951 C C5 . GAL B 2 . ? 12.558 1.467 -1.943 1.00 0.00 ? 101 GAL A C5 9 HETATM 4952 C C6 . GAL B 2 . ? 13.177 0.603 -3.052 1.00 0.00 ? 101 GAL A C6 9 HETATM 4953 O O2 . GAL B 2 . ? 12.300 4.544 1.066 1.00 0.00 ? 101 GAL A O2 9 HETATM 4954 O O3 . GAL B 2 . ? 11.580 5.139 -1.662 1.00 0.00 ? 101 GAL A O3 9 HETATM 4955 O O4 . GAL B 2 . ? 13.377 3.526 -2.977 1.00 0.00 ? 101 GAL A O4 9 HETATM 4956 O O5 . GAL B 2 . ? 13.487 1.498 -0.781 1.00 0.00 ? 101 GAL A O5 9 HETATM 4957 O O6 . GAL B 2 . ? 13.691 -0.605 -2.457 1.00 0.00 ? 101 GAL A O6 9 HETATM 4958 H H1 . GAL B 2 . ? 12.023 1.823 0.671 1.00 0.00 ? 101 GAL A H1 9 HETATM 4959 H H2 . GAL B 2 . ? 13.727 4.143 -0.387 1.00 0.00 ? 101 GAL A H2 9 HETATM 4960 H H3 . GAL B 2 . ? 10.792 3.400 -0.839 1.00 0.00 ? 101 GAL A H3 9 HETATM 4961 H H4 . GAL B 2 . ? 11.419 2.868 -3.137 1.00 0.00 ? 101 GAL A H4 9 HETATM 4962 H H5 . GAL B 2 . ? 11.636 0.988 -1.617 1.00 0.00 ? 101 GAL A H5 9 HETATM 4963 H H61 . GAL B 2 . ? 12.428 0.352 -3.806 1.00 0.00 ? 101 GAL A H61 9 HETATM 4964 H H62 . GAL B 2 . ? 14.005 1.126 -3.533 1.00 0.00 ? 101 GAL A H62 9 HETATM 4965 H HO2 . GAL B 2 . ? 11.703 4.018 1.635 1.00 0.00 ? 101 GAL A HO2 9 HETATM 4966 H HO3 . GAL B 2 . ? 11.429 5.696 -0.880 1.00 0.00 ? 101 GAL A HO3 9 HETATM 4967 H HO4 . GAL B 2 . ? 13.161 4.464 -3.103 1.00 0.00 ? 101 GAL A HO4 9 HETATM 4968 H HO6 . GAL B 2 . ? 14.112 -0.331 -1.629 1.00 0.00 ? 101 GAL A HO6 9 ATOM 4969 N N . LYS A 1 1 ? -11.266 -4.451 4.020 1.00 0.00 ? 1 LYS A N 10 ATOM 4970 C CA . LYS A 1 1 ? -9.981 -3.711 4.162 1.00 0.00 ? 1 LYS A CA 10 ATOM 4971 C C . LYS A 1 1 ? -9.459 -3.232 2.802 1.00 0.00 ? 1 LYS A C 10 ATOM 4972 O O . LYS A 1 1 ? -9.427 -2.025 2.545 1.00 0.00 ? 1 LYS A O 10 ATOM 4973 C CB . LYS A 1 1 ? -8.931 -4.531 4.951 1.00 0.00 ? 1 LYS A CB 10 ATOM 4974 C CG . LYS A 1 1 ? -7.753 -3.664 5.435 1.00 0.00 ? 1 LYS A CG 10 ATOM 4975 C CD . LYS A 1 1 ? -6.616 -4.485 6.069 1.00 0.00 ? 1 LYS A CD 10 ATOM 4976 C CE . LYS A 1 1 ? -5.782 -5.231 5.016 1.00 0.00 ? 1 LYS A CE 10 ATOM 4977 N NZ . LYS A 1 1 ? -4.670 -5.995 5.637 1.00 0.00 ? 1 LYS A NZ 10 ATOM 4978 H H1 . LYS A 1 1 ? -11.142 -5.308 3.502 1.00 0.00 ? 1 LYS A H1 10 ATOM 4979 H H2 . LYS A 1 1 ? -11.953 -3.884 3.543 1.00 0.00 ? 1 LYS A H2 10 ATOM 4980 H H3 . LYS A 1 1 ? -11.635 -4.685 4.929 1.00 0.00 ? 1 LYS A H3 10 ATOM 4981 H HA . LYS A 1 1 ? -10.187 -2.809 4.740 1.00 0.00 ? 1 LYS A HA 10 ATOM 4982 H HB2 . LYS A 1 1 ? -9.406 -4.968 5.831 1.00 0.00 ? 1 LYS A HB2 10 ATOM 4983 H HB3 . LYS A 1 1 ? -8.561 -5.350 4.332 1.00 0.00 ? 1 LYS A HB3 10 ATOM 4984 H HG2 . LYS A 1 1 ? -7.346 -3.076 4.613 1.00 0.00 ? 1 LYS A HG2 10 ATOM 4985 H HG3 . LYS A 1 1 ? -8.131 -2.967 6.184 1.00 0.00 ? 1 LYS A HG3 10 ATOM 4986 H HD2 . LYS A 1 1 ? -5.961 -3.800 6.610 1.00 0.00 ? 1 LYS A HD2 10 ATOM 4987 H HD3 . LYS A 1 1 ? -7.035 -5.195 6.785 1.00 0.00 ? 1 LYS A HD3 10 ATOM 4988 H HE2 . LYS A 1 1 ? -6.427 -5.911 4.453 1.00 0.00 ? 1 LYS A HE2 10 ATOM 4989 H HE3 . LYS A 1 1 ? -5.370 -4.497 4.317 1.00 0.00 ? 1 LYS A HE3 10 ATOM 4990 H HZ1 . LYS A 1 1 ? -4.090 -5.402 6.212 1.00 0.00 ? 1 LYS A HZ1 10 ATOM 4991 H HZ2 . LYS A 1 1 ? -5.015 -6.752 6.210 1.00 0.00 ? 1 LYS A HZ2 10 ATOM 4992 H HZ3 . LYS A 1 1 ? -4.062 -6.403 4.924 1.00 0.00 ? 1 LYS A HZ3 10 ATOM 4993 N N . LEU A 1 2 ? -9.055 -4.158 1.920 1.00 0.00 ? 2 LEU A N 10 ATOM 4994 C CA . LEU A 1 2 ? -8.479 -3.896 0.589 1.00 0.00 ? 2 LEU A CA 10 ATOM 4995 C C . LEU A 1 2 ? -9.268 -4.620 -0.533 1.00 0.00 ? 2 LEU A C 10 ATOM 4996 O O . LEU A 1 2 ? -9.999 -5.573 -0.233 1.00 0.00 ? 2 LEU A O 10 ATOM 4997 C CB . LEU A 1 2 ? -6.995 -4.322 0.592 1.00 0.00 ? 2 LEU A CB 10 ATOM 4998 C CG . LEU A 1 2 ? -6.081 -3.551 1.561 1.00 0.00 ? 2 LEU A CG 10 ATOM 4999 C CD1 . LEU A 1 2 ? -4.730 -4.250 1.668 1.00 0.00 ? 2 LEU A CD1 10 ATOM 5000 C CD2 . LEU A 1 2 ? -5.817 -2.125 1.088 1.00 0.00 ? 2 LEU A CD2 10 ATOM 5001 H H . LEU A 1 2 ? -9.134 -5.131 2.184 1.00 0.00 ? 2 LEU A H 10 ATOM 5002 H HA . LEU A 1 2 ? -8.532 -2.829 0.391 1.00 0.00 ? 2 LEU A HA 10 ATOM 5003 H HB2 . LEU A 1 2 ? -6.951 -5.386 0.837 1.00 0.00 ? 2 LEU A HB2 10 ATOM 5004 H HB3 . LEU A 1 2 ? -6.594 -4.184 -0.411 1.00 0.00 ? 2 LEU A HB3 10 ATOM 5005 H HG . LEU A 1 2 ? -6.529 -3.523 2.549 1.00 0.00 ? 2 LEU A HG 10 ATOM 5006 H HD11 . LEU A 1 2 ? -4.081 -3.704 2.352 1.00 0.00 ? 2 LEU A HD11 10 ATOM 5007 H HD12 . LEU A 1 2 ? -4.878 -5.259 2.048 1.00 0.00 ? 2 LEU A HD12 10 ATOM 5008 H HD13 . LEU A 1 2 ? -4.260 -4.298 0.685 1.00 0.00 ? 2 LEU A HD13 10 ATOM 5009 H HD21 . LEU A 1 2 ? -5.228 -1.595 1.835 1.00 0.00 ? 2 LEU A HD21 10 ATOM 5010 H HD22 . LEU A 1 2 ? -5.265 -2.154 0.151 1.00 0.00 ? 2 LEU A HD22 10 ATOM 5011 H HD23 . LEU A 1 2 ? -6.753 -1.591 0.947 1.00 0.00 ? 2 LEU A HD23 10 ATOM 5012 N N . PRO A 1 3 ? -9.144 -4.205 -1.813 1.00 0.00 ? 3 PRO A N 10 ATOM 5013 C CA . PRO A 1 3 ? -9.819 -4.846 -2.950 1.00 0.00 ? 3 PRO A CA 10 ATOM 5014 C C . PRO A 1 3 ? -9.234 -6.240 -3.287 1.00 0.00 ? 3 PRO A C 10 ATOM 5015 O O . PRO A 1 3 ? -8.211 -6.634 -2.715 1.00 0.00 ? 3 PRO A O 10 ATOM 5016 C CB . PRO A 1 3 ? -9.691 -3.863 -4.127 1.00 0.00 ? 3 PRO A CB 10 ATOM 5017 C CG . PRO A 1 3 ? -9.168 -2.567 -3.511 1.00 0.00 ? 3 PRO A CG 10 ATOM 5018 C CD . PRO A 1 3 ? -8.399 -3.053 -2.293 1.00 0.00 ? 3 PRO A CD 10 ATOM 5019 H HA . PRO A 1 3 ? -10.875 -4.958 -2.703 1.00 0.00 ? 3 PRO A HA 10 ATOM 5020 H HB2 . PRO A 1 3 ? -8.971 -4.229 -4.860 1.00 0.00 ? 3 PRO A HB2 10 ATOM 5021 H HB3 . PRO A 1 3 ? -10.657 -3.697 -4.608 1.00 0.00 ? 3 PRO A HB3 10 ATOM 5022 H HG2 . PRO A 1 3 ? -8.517 -2.033 -4.202 1.00 0.00 ? 3 PRO A HG2 10 ATOM 5023 H HG3 . PRO A 1 3 ? -10.003 -1.941 -3.195 1.00 0.00 ? 3 PRO A HG3 10 ATOM 5024 H HD2 . PRO A 1 3 ? -7.401 -3.372 -2.597 1.00 0.00 ? 3 PRO A HD2 10 ATOM 5025 H HD3 . PRO A 1 3 ? -8.330 -2.254 -1.558 1.00 0.00 ? 3 PRO A HD3 10 ATOM 5026 N N . PRO A 1 4 ? -9.835 -6.999 -4.229 1.00 0.00 ? 4 PRO A N 10 ATOM 5027 C CA . PRO A 1 4 ? -9.415 -8.365 -4.561 1.00 0.00 ? 4 PRO A CA 10 ATOM 5028 C C . PRO A 1 4 ? -7.920 -8.508 -4.901 1.00 0.00 ? 4 PRO A C 10 ATOM 5029 O O . PRO A 1 4 ? -7.386 -7.828 -5.783 1.00 0.00 ? 4 PRO A O 10 ATOM 5030 C CB . PRO A 1 4 ? -10.315 -8.803 -5.722 1.00 0.00 ? 4 PRO A CB 10 ATOM 5031 C CG . PRO A 1 4 ? -11.596 -8.009 -5.472 1.00 0.00 ? 4 PRO A CG 10 ATOM 5032 C CD . PRO A 1 4 ? -11.063 -6.678 -4.945 1.00 0.00 ? 4 PRO A CD 10 ATOM 5033 H HA . PRO A 1 4 ? -9.643 -8.995 -3.700 1.00 0.00 ? 4 PRO A HA 10 ATOM 5034 H HB2 . PRO A 1 4 ? -9.882 -8.498 -6.677 1.00 0.00 ? 4 PRO A HB2 10 ATOM 5035 H HB3 . PRO A 1 4 ? -10.498 -9.878 -5.707 1.00 0.00 ? 4 PRO A HB3 10 ATOM 5036 H HG2 . PRO A 1 4 ? -12.178 -7.879 -6.386 1.00 0.00 ? 4 PRO A HG2 10 ATOM 5037 H HG3 . PRO A 1 4 ? -12.190 -8.500 -4.700 1.00 0.00 ? 4 PRO A HG3 10 ATOM 5038 H HD2 . PRO A 1 4 ? -10.832 -6.018 -5.783 1.00 0.00 ? 4 PRO A HD2 10 ATOM 5039 H HD3 . PRO A 1 4 ? -11.807 -6.216 -4.292 1.00 0.00 ? 4 PRO A HD3 10 ATOM 5040 N N . GLY A 1 5 ? -7.245 -9.415 -4.188 1.00 0.00 ? 5 GLY A N 10 ATOM 5041 C CA . GLY A 1 5 ? -5.821 -9.737 -4.346 1.00 0.00 ? 5 GLY A CA 10 ATOM 5042 C C . GLY A 1 5 ? -4.826 -8.753 -3.710 1.00 0.00 ? 5 GLY A C 10 ATOM 5043 O O . GLY A 1 5 ? -3.639 -9.075 -3.638 1.00 0.00 ? 5 GLY A O 10 ATOM 5044 H H . GLY A 1 5 ? -7.756 -9.924 -3.480 1.00 0.00 ? 5 GLY A H 10 ATOM 5045 H HA2 . GLY A 1 5 ? -5.643 -10.717 -3.897 1.00 0.00 ? 5 GLY A HA2 10 ATOM 5046 H HA3 . GLY A 1 5 ? -5.590 -9.801 -5.412 1.00 0.00 ? 5 GLY A HA3 10 ATOM 5047 N N . TRP A 1 6 ? -5.262 -7.586 -3.226 1.00 0.00 ? 6 TRP A N 10 ATOM 5048 C CA . TRP A 1 6 ? -4.396 -6.611 -2.546 1.00 0.00 ? 6 TRP A CA 10 ATOM 5049 C C . TRP A 1 6 ? -4.047 -6.974 -1.093 1.00 0.00 ? 6 TRP A C 10 ATOM 5050 O O . TRP A 1 6 ? -4.894 -7.456 -0.337 1.00 0.00 ? 6 TRP A O 10 ATOM 5051 C CB . TRP A 1 6 ? -5.009 -5.210 -2.601 1.00 0.00 ? 6 TRP A CB 10 ATOM 5052 C CG . TRP A 1 6 ? -5.037 -4.540 -3.939 1.00 0.00 ? 6 TRP A CG 10 ATOM 5053 C CD1 . TRP A 1 6 ? -6.040 -4.639 -4.839 1.00 0.00 ? 6 TRP A CD1 10 ATOM 5054 C CD2 . TRP A 1 6 ? -3.952 -3.856 -4.640 1.00 0.00 ? 6 TRP A CD2 10 ATOM 5055 N NE1 . TRP A 1 6 ? -5.712 -3.947 -5.986 1.00 0.00 ? 6 TRP A NE1 10 ATOM 5056 C CE2 . TRP A 1 6 ? -4.411 -3.495 -5.942 1.00 0.00 ? 6 TRP A CE2 10 ATOM 5057 C CE3 . TRP A 1 6 ? -2.633 -3.482 -4.298 1.00 0.00 ? 6 TRP A CE3 10 ATOM 5058 C CZ2 . TRP A 1 6 ? -3.597 -2.835 -6.872 1.00 0.00 ? 6 TRP A CZ2 10 ATOM 5059 C CZ3 . TRP A 1 6 ? -1.810 -2.802 -5.218 1.00 0.00 ? 6 TRP A CZ3 10 ATOM 5060 C CH2 . TRP A 1 6 ? -2.285 -2.484 -6.504 1.00 0.00 ? 6 TRP A CH2 10 ATOM 5061 H H . TRP A 1 6 ? -6.252 -7.381 -3.277 1.00 0.00 ? 6 TRP A H 10 ATOM 5062 H HA . TRP A 1 6 ? -3.454 -6.558 -3.088 1.00 0.00 ? 6 TRP A HA 10 ATOM 5063 H HB2 . TRP A 1 6 ? -6.029 -5.266 -2.222 1.00 0.00 ? 6 TRP A HB2 10 ATOM 5064 H HB3 . TRP A 1 6 ? -4.435 -4.563 -1.933 1.00 0.00 ? 6 TRP A HB3 10 ATOM 5065 H HD1 . TRP A 1 6 ? -6.974 -5.155 -4.666 1.00 0.00 ? 6 TRP A HD1 10 ATOM 5066 H HE1 . TRP A 1 6 ? -6.383 -3.759 -6.739 1.00 0.00 ? 6 TRP A HE1 10 ATOM 5067 H HE3 . TRP A 1 6 ? -2.264 -3.718 -3.309 1.00 0.00 ? 6 TRP A HE3 10 ATOM 5068 H HZ2 . TRP A 1 6 ? -3.979 -2.613 -7.856 1.00 0.00 ? 6 TRP A HZ2 10 ATOM 5069 H HZ3 . TRP A 1 6 ? -0.803 -2.522 -4.938 1.00 0.00 ? 6 TRP A HZ3 10 ATOM 5070 H HH2 . TRP A 1 6 ? -1.644 -1.968 -7.206 1.00 0.00 ? 6 TRP A HH2 10 ATOM 5071 N N . GLU A 1 7 ? -2.816 -6.671 -0.678 1.00 0.00 ? 7 GLU A N 10 ATOM 5072 C CA . GLU A 1 7 ? -2.333 -6.757 0.707 1.00 0.00 ? 7 GLU A CA 10 ATOM 5073 C C . GLU A 1 7 ? -1.206 -5.730 0.965 1.00 0.00 ? 7 GLU A C 10 ATOM 5074 O O . GLU A 1 7 ? -0.530 -5.283 0.031 1.00 0.00 ? 7 GLU A O 10 ATOM 5075 C CB . GLU A 1 7 ? -1.884 -8.206 0.997 1.00 0.00 ? 7 GLU A CB 10 ATOM 5076 C CG . GLU A 1 7 ? -1.554 -8.525 2.465 1.00 0.00 ? 7 GLU A CG 10 ATOM 5077 C CD . GLU A 1 7 ? -2.685 -8.137 3.436 1.00 0.00 ? 7 GLU A CD 10 ATOM 5078 O OE1 . GLU A 1 7 ? -2.764 -6.948 3.832 1.00 0.00 ? 7 GLU A OE1 10 ATOM 5079 O OE2 . GLU A 1 7 ? -3.498 -9.011 3.821 1.00 0.00 ? 7 GLU A OE2 10 ATOM 5080 H H . GLU A 1 7 ? -2.145 -6.345 -1.369 1.00 0.00 ? 7 GLU A H 10 ATOM 5081 H HA . GLU A 1 7 ? -3.159 -6.514 1.371 1.00 0.00 ? 7 GLU A HA 10 ATOM 5082 H HB2 . GLU A 1 7 ? -2.677 -8.887 0.683 1.00 0.00 ? 7 GLU A HB2 10 ATOM 5083 H HB3 . GLU A 1 7 ? -1.006 -8.430 0.389 1.00 0.00 ? 7 GLU A HB3 10 ATOM 5084 H HG2 . GLU A 1 7 ? -1.348 -9.595 2.547 1.00 0.00 ? 7 GLU A HG2 10 ATOM 5085 H HG3 . GLU A 1 7 ? -0.639 -8.005 2.748 1.00 0.00 ? 7 GLU A HG3 10 ATOM 5086 N N . LYS A 1 8 ? -0.985 -5.342 2.228 1.00 0.00 ? 8 LYS A N 10 ATOM 5087 C CA . LYS A 1 8 ? 0.177 -4.528 2.634 1.00 0.00 ? 8 LYS A CA 10 ATOM 5088 C C . LYS A 1 8 ? 1.510 -5.271 2.494 1.00 0.00 ? 8 LYS A C 10 ATOM 5089 O O . LYS A 1 8 ? 1.601 -6.481 2.720 1.00 0.00 ? 8 LYS A O 10 ATOM 5090 C CB . LYS A 1 8 ? 0.003 -3.950 4.047 1.00 0.00 ? 8 LYS A CB 10 ATOM 5091 C CG . LYS A 1 8 ? -0.922 -2.724 4.011 1.00 0.00 ? 8 LYS A CG 10 ATOM 5092 C CD . LYS A 1 8 ? -1.190 -2.130 5.402 1.00 0.00 ? 8 LYS A CD 10 ATOM 5093 C CE . LYS A 1 8 ? 0.060 -1.457 5.989 1.00 0.00 ? 8 LYS A CE 10 ATOM 5094 N NZ . LYS A 1 8 ? -0.219 -0.871 7.325 1.00 0.00 ? 8 LYS A NZ 10 ATOM 5095 H H . LYS A 1 8 ? -1.573 -5.745 2.955 1.00 0.00 ? 8 LYS A H 10 ATOM 5096 H HA . LYS A 1 8 ? 0.242 -3.684 1.944 1.00 0.00 ? 8 LYS A HA 10 ATOM 5097 H HB2 . LYS A 1 8 ? -0.404 -4.713 4.714 1.00 0.00 ? 8 LYS A HB2 10 ATOM 5098 H HB3 . LYS A 1 8 ? 0.976 -3.638 4.429 1.00 0.00 ? 8 LYS A HB3 10 ATOM 5099 H HG2 . LYS A 1 8 ? -0.469 -1.954 3.381 1.00 0.00 ? 8 LYS A HG2 10 ATOM 5100 H HG3 . LYS A 1 8 ? -1.872 -3.024 3.568 1.00 0.00 ? 8 LYS A HG3 10 ATOM 5101 H HD2 . LYS A 1 8 ? -1.980 -1.383 5.307 1.00 0.00 ? 8 LYS A HD2 10 ATOM 5102 H HD3 . LYS A 1 8 ? -1.538 -2.918 6.071 1.00 0.00 ? 8 LYS A HD3 10 ATOM 5103 H HE2 . LYS A 1 8 ? 0.869 -2.188 6.068 1.00 0.00 ? 8 LYS A HE2 10 ATOM 5104 H HE3 . LYS A 1 8 ? 0.387 -0.671 5.302 1.00 0.00 ? 8 LYS A HE3 10 ATOM 5105 H HZ1 . LYS A 1 8 ? -0.513 -1.581 7.984 1.00 0.00 ? 8 LYS A HZ1 10 ATOM 5106 H HZ2 . LYS A 1 8 ? 0.603 -0.424 7.708 1.00 0.00 ? 8 LYS A HZ2 10 ATOM 5107 H HZ3 . LYS A 1 8 ? -0.950 -0.174 7.275 1.00 0.00 ? 8 LYS A HZ3 10 ATOM 5108 N N . ARG A 1 9 ? 2.547 -4.518 2.132 1.00 0.00 ? 9 ARG A N 10 ATOM 5109 C CA . ARG A 1 9 ? 3.915 -4.978 1.828 1.00 0.00 ? 9 ARG A CA 10 ATOM 5110 C C . ARG A 1 9 ? 4.937 -3.957 2.350 1.00 0.00 ? 9 ARG A C 10 ATOM 5111 O O . ARG A 1 9 ? 4.567 -2.832 2.693 1.00 0.00 ? 9 ARG A O 10 ATOM 5112 C CB . ARG A 1 9 ? 3.985 -5.191 0.300 1.00 0.00 ? 9 ARG A CB 10 ATOM 5113 C CG . ARG A 1 9 ? 5.146 -6.053 -0.221 1.00 0.00 ? 9 ARG A CG 10 ATOM 5114 C CD . ARG A 1 9 ? 5.035 -7.526 0.194 1.00 0.00 ? 9 ARG A CD 10 ATOM 5115 N NE . ARG A 1 9 ? 6.174 -8.318 -0.315 1.00 0.00 ? 9 ARG A NE 10 ATOM 5116 C CZ . ARG A 1 9 ? 6.331 -8.815 -1.530 1.00 0.00 ? 9 ARG A CZ 10 ATOM 5117 N NH1 . ARG A 1 9 ? 7.393 -9.510 -1.822 1.00 0.00 ? 9 ARG A NH1 10 ATOM 5118 N NH2 . ARG A 1 9 ? 5.455 -8.641 -2.480 1.00 0.00 ? 9 ARG A NH2 10 ATOM 5119 H H . ARG A 1 9 ? 2.356 -3.529 1.995 1.00 0.00 ? 9 ARG A H 10 ATOM 5120 H HA . ARG A 1 9 ? 4.097 -5.921 2.345 1.00 0.00 ? 9 ARG A HA 10 ATOM 5121 H HB2 . ARG A 1 9 ? 3.060 -5.667 -0.028 1.00 0.00 ? 9 ARG A HB2 10 ATOM 5122 H HB3 . ARG A 1 9 ? 4.032 -4.215 -0.184 1.00 0.00 ? 9 ARG A HB3 10 ATOM 5123 H HG2 . ARG A 1 9 ? 5.121 -6.007 -1.312 1.00 0.00 ? 9 ARG A HG2 10 ATOM 5124 H HG3 . ARG A 1 9 ? 6.097 -5.648 0.124 1.00 0.00 ? 9 ARG A HG3 10 ATOM 5125 H HD2 . ARG A 1 9 ? 5.032 -7.591 1.285 1.00 0.00 ? 9 ARG A HD2 10 ATOM 5126 H HD3 . ARG A 1 9 ? 4.094 -7.940 -0.179 1.00 0.00 ? 9 ARG A HD3 10 ATOM 5127 H HE . ARG A 1 9 ? 6.916 -8.516 0.339 1.00 0.00 ? 9 ARG A HE 10 ATOM 5128 H HH11 . ARG A 1 9 ? 7.511 -9.889 -2.747 1.00 0.00 ? 9 ARG A HH11 10 ATOM 5129 H HH12 . ARG A 1 9 ? 8.098 -9.676 -1.121 1.00 0.00 ? 9 ARG A HH12 10 ATOM 5130 H HH21 . ARG A 1 9 ? 4.627 -8.103 -2.295 1.00 0.00 ? 9 ARG A HH21 10 ATOM 5131 H HH22 . ARG A 1 9 ? 5.607 -9.031 -3.395 1.00 0.00 ? 9 ARG A HH22 10 ATOM 5132 N N . MET A 1 10 ? 6.219 -4.317 2.424 1.00 0.00 ? 10 MET A N 10 ATOM 5133 C CA . MET A 1 10 ? 7.258 -3.454 3.002 1.00 0.00 ? 10 MET A CA 10 ATOM 5134 C C . MET A 1 10 ? 8.653 -3.768 2.442 1.00 0.00 ? 10 MET A C 10 ATOM 5135 O O . MET A 1 10 ? 9.043 -4.930 2.302 1.00 0.00 ? 10 MET A O 10 ATOM 5136 C CB . MET A 1 10 ? 7.244 -3.590 4.537 1.00 0.00 ? 10 MET A CB 10 ATOM 5137 C CG . MET A 1 10 ? 8.111 -2.535 5.238 1.00 0.00 ? 10 MET A CG 10 ATOM 5138 S SD . MET A 1 10 ? 8.216 -2.695 7.041 1.00 0.00 ? 10 MET A SD 10 ATOM 5139 C CE . MET A 1 10 ? 9.343 -4.113 7.169 1.00 0.00 ? 10 MET A CE 10 ATOM 5140 H H . MET A 1 10 ? 6.480 -5.249 2.133 1.00 0.00 ? 10 MET A H 10 ATOM 5141 H HA . MET A 1 10 ? 7.022 -2.422 2.747 1.00 0.00 ? 10 MET A HA 10 ATOM 5142 H HB2 . MET A 1 10 ? 6.222 -3.478 4.903 1.00 0.00 ? 10 MET A HB2 10 ATOM 5143 H HB3 . MET A 1 10 ? 7.594 -4.586 4.809 1.00 0.00 ? 10 MET A HB3 10 ATOM 5144 H HG2 . MET A 1 10 ? 9.124 -2.564 4.836 1.00 0.00 ? 10 MET A HG2 10 ATOM 5145 H HG3 . MET A 1 10 ? 7.691 -1.555 5.018 1.00 0.00 ? 10 MET A HG3 10 ATOM 5146 H HE1 . MET A 1 10 ? 9.558 -4.314 8.219 1.00 0.00 ? 10 MET A HE1 10 ATOM 5147 H HE2 . MET A 1 10 ? 8.884 -4.996 6.725 1.00 0.00 ? 10 MET A HE2 10 ATOM 5148 H HE3 . MET A 1 10 ? 10.276 -3.891 6.650 1.00 0.00 ? 10 MET A HE3 10 ATOM 5149 N N . PHE A 1 11 ? 9.397 -2.709 2.124 1.00 0.00 ? 11 PHE A N 10 ATOM 5150 C CA . PHE A 1 11 ? 10.789 -2.738 1.674 1.00 0.00 ? 11 PHE A CA 10 ATOM 5151 C C . PHE A 1 11 ? 11.826 -3.063 2.765 1.00 0.00 ? 11 PHE A C 10 ATOM 5152 O O . PHE A 1 11 ? 11.564 -2.879 3.956 1.00 0.00 ? 11 PHE A O 10 ATOM 5153 C CB . PHE A 1 11 ? 11.110 -1.418 0.958 1.00 0.00 ? 11 PHE A CB 10 ATOM 5154 C CG . PHE A 1 11 ? 10.419 -1.220 -0.377 1.00 0.00 ? 11 PHE A CG 10 ATOM 5155 C CD1 . PHE A 1 11 ? 10.805 -1.974 -1.502 1.00 0.00 ? 11 PHE A CD1 10 ATOM 5156 C CD2 . PHE A 1 11 ? 9.403 -0.252 -0.502 1.00 0.00 ? 11 PHE A CD2 10 ATOM 5157 C CE1 . PHE A 1 11 ? 10.178 -1.759 -2.744 1.00 0.00 ? 11 PHE A CE1 10 ATOM 5158 C CE2 . PHE A 1 11 ? 8.780 -0.036 -1.743 1.00 0.00 ? 11 PHE A CE2 10 ATOM 5159 C CZ . PHE A 1 11 ? 9.167 -0.789 -2.865 1.00 0.00 ? 11 PHE A CZ 10 ATOM 5160 H H . PHE A 1 11 ? 8.987 -1.793 2.275 1.00 0.00 ? 11 PHE A H 10 ATOM 5161 H HA . PHE A 1 11 ? 10.879 -3.534 0.932 1.00 0.00 ? 11 PHE A HA 10 ATOM 5162 H HB2 . PHE A 1 11 ? 10.831 -0.599 1.623 1.00 0.00 ? 11 PHE A HB2 10 ATOM 5163 H HB3 . PHE A 1 11 ? 12.186 -1.361 0.777 1.00 0.00 ? 11 PHE A HB3 10 ATOM 5164 H HD1 . PHE A 1 11 ? 11.592 -2.711 -1.418 1.00 0.00 ? 11 PHE A HD1 10 ATOM 5165 H HD2 . PHE A 1 11 ? 9.093 0.325 0.356 1.00 0.00 ? 11 PHE A HD2 10 ATOM 5166 H HE1 . PHE A 1 11 ? 10.477 -2.337 -3.608 1.00 0.00 ? 11 PHE A HE1 10 ATOM 5167 H HE2 . PHE A 1 11 ? 7.989 0.695 -1.824 1.00 0.00 ? 11 PHE A HE2 10 ATOM 5168 H HZ . PHE A 1 11 ? 8.679 -0.628 -3.818 1.00 0.00 ? 11 PHE A HZ 10 ATOM 5169 N N . ALA A 1 12 ? 13.036 -3.480 2.372 1.00 0.00 ? 12 ALA A N 10 ATOM 5170 C CA . ALA A 1 12 ? 14.137 -3.785 3.299 1.00 0.00 ? 12 ALA A CA 10 ATOM 5171 C C . ALA A 1 12 ? 14.616 -2.568 4.131 1.00 0.00 ? 12 ALA A C 10 ATOM 5172 O O . ALA A 1 12 ? 15.175 -2.738 5.217 1.00 0.00 ? 12 ALA A O 10 ATOM 5173 C CB . ALA A 1 12 ? 15.288 -4.381 2.478 1.00 0.00 ? 12 ALA A CB 10 ATOM 5174 H H . ALA A 1 12 ? 13.203 -3.613 1.385 1.00 0.00 ? 12 ALA A H 10 ATOM 5175 H HA . ALA A 1 12 ? 13.793 -4.544 4.004 1.00 0.00 ? 12 ALA A HA 10 ATOM 5176 H HB1 . ALA A 1 12 ? 14.943 -5.268 1.944 1.00 0.00 ? 12 ALA A HB1 10 ATOM 5177 H HB2 . ALA A 1 12 ? 15.658 -3.647 1.761 1.00 0.00 ? 12 ALA A HB2 10 ATOM 5178 H HB3 . ALA A 1 12 ? 16.103 -4.669 3.145 1.00 0.00 ? 12 ALA A HB3 10 ATOM 5179 N N . ASN A 1 13 ? 14.373 -1.344 3.645 1.00 0.00 ? 13 ASN A N 10 ATOM 5180 C CA . ASN A 1 13 ? 14.624 -0.079 4.355 1.00 0.00 ? 13 ASN A CA 10 ATOM 5181 C C . ASN A 1 13 ? 13.538 0.298 5.397 1.00 0.00 ? 13 ASN A C 10 ATOM 5182 O O . ASN A 1 13 ? 13.692 1.298 6.103 1.00 0.00 ? 13 ASN A O 10 ATOM 5183 C CB . ASN A 1 13 ? 14.838 1.043 3.313 1.00 0.00 ? 13 ASN A CB 10 ATOM 5184 C CG . ASN A 1 13 ? 13.649 1.271 2.387 1.00 0.00 ? 13 ASN A CG 10 ATOM 5185 O OD1 . ASN A 1 13 ? 12.531 0.870 2.693 1.00 0.00 ? 13 ASN A OD1 10 ATOM 5186 N ND2 . ASN A 1 13 ? 13.881 1.924 1.257 1.00 0.00 ? 13 ASN A ND2 10 ATOM 5187 H H . ASN A 1 13 ? 13.917 -1.292 2.746 1.00 0.00 ? 13 ASN A H 10 ATOM 5188 H HA . ASN A 1 13 ? 15.555 -0.184 4.916 1.00 0.00 ? 13 ASN A HA 10 ATOM 5189 H HB2 . ASN A 1 13 ? 15.052 1.982 3.828 1.00 0.00 ? 13 ASN A HB2 10 ATOM 5190 H HB3 . ASN A 1 13 ? 15.704 0.782 2.701 1.00 0.00 ? 13 ASN A HB3 10 ATOM 5191 H HD21 . ASN A 1 13 ? 14.821 2.226 1.055 1.00 0.00 ? 13 ASN A HD21 10 ATOM 5192 N N . GLY A 1 14 ? 12.447 -0.474 5.501 1.00 0.00 ? 14 GLY A N 10 ATOM 5193 C CA . GLY A 1 14 ? 11.335 -0.234 6.431 1.00 0.00 ? 14 GLY A CA 10 ATOM 5194 C C . GLY A 1 14 ? 10.195 0.649 5.894 1.00 0.00 ? 14 GLY A C 10 ATOM 5195 O O . GLY A 1 14 ? 9.376 1.120 6.688 1.00 0.00 ? 14 GLY A O 10 ATOM 5196 H H . GLY A 1 14 ? 12.378 -1.282 4.894 1.00 0.00 ? 14 GLY A H 10 ATOM 5197 H HA2 . GLY A 1 14 ? 10.900 -1.202 6.687 1.00 0.00 ? 14 GLY A HA2 10 ATOM 5198 H HA3 . GLY A 1 14 ? 11.716 0.224 7.346 1.00 0.00 ? 14 GLY A HA3 10 ATOM 5199 N N . THR A 1 15 ? 10.102 0.872 4.577 1.00 0.00 ? 15 THR A N 10 ATOM 5200 C CA . THR A 1 15 ? 9.048 1.699 3.952 1.00 0.00 ? 15 THR A CA 10 ATOM 5201 C C . THR A 1 15 ? 7.911 0.778 3.503 1.00 0.00 ? 15 THR A C 10 ATOM 5202 O O . THR A 1 15 ? 8.140 -0.220 2.816 1.00 0.00 ? 15 THR A O 10 ATOM 5203 C CB . THR A 1 15 ? 9.618 2.441 2.729 1.00 0.00 ? 15 THR A CB 10 ATOM 5204 O OG1 . THR A 1 15 ? 10.473 3.469 3.171 1.00 0.00 ? 15 THR A OG1 10 ATOM 5205 C CG2 . THR A 1 15 ? 8.566 3.105 1.837 1.00 0.00 ? 15 THR A CG2 10 ATOM 5206 H H . THR A 1 15 ? 10.837 0.515 3.978 1.00 0.00 ? 15 THR A H 10 ATOM 5207 H HA . THR A 1 15 ? 8.663 2.435 4.658 1.00 0.00 ? 15 THR A HA 10 ATOM 5208 H HB . THR A 1 15 ? 10.185 1.741 2.115 1.00 0.00 ? 15 THR A HB 10 ATOM 5209 H HG1 . THR A 1 15 ? 10.946 3.785 2.380 1.00 0.00 ? 15 THR A HG1 10 ATOM 5210 H HG21 . THR A 1 15 ? 9.058 3.711 1.076 1.00 0.00 ? 15 THR A HG21 10 ATOM 5211 H HG22 . THR A 1 15 ? 7.969 2.346 1.329 1.00 0.00 ? 15 THR A HG22 10 ATOM 5212 H HG23 . THR A 1 15 ? 7.914 3.740 2.437 1.00 0.00 ? 15 THR A HG23 10 ATOM 5213 N N . VAL A 1 16 ? 6.672 1.126 3.863 1.00 0.00 ? 16 VAL A N 10 ATOM 5214 C CA . VAL A 1 16 ? 5.459 0.323 3.610 1.00 0.00 ? 16 VAL A CA 10 ATOM 5215 C C . VAL A 1 16 ? 4.794 0.799 2.312 1.00 0.00 ? 16 VAL A C 10 ATOM 5216 O O . VAL A 1 16 ? 4.789 1.992 1.993 1.00 0.00 ? 16 VAL A O 10 ATOM 5217 C CB . VAL A 1 16 ? 4.479 0.458 4.800 1.00 0.00 ? 16 VAL A CB 10 ATOM 5218 C CG1 . VAL A 1 16 ? 3.063 -0.070 4.534 1.00 0.00 ? 16 VAL A CG1 10 ATOM 5219 C CG2 . VAL A 1 16 ? 5.011 -0.306 6.019 1.00 0.00 ? 16 VAL A CG2 10 ATOM 5220 H H . VAL A 1 16 ? 6.559 1.984 4.387 1.00 0.00 ? 16 VAL A H 10 ATOM 5221 H HA . VAL A 1 16 ? 5.724 -0.726 3.499 1.00 0.00 ? 16 VAL A HA 10 ATOM 5222 H HB . VAL A 1 16 ? 4.393 1.513 5.064 1.00 0.00 ? 16 VAL A HB 10 ATOM 5223 H HG11 . VAL A 1 16 ? 2.574 0.519 3.757 1.00 0.00 ? 16 VAL A HG11 10 ATOM 5224 H HG12 . VAL A 1 16 ? 3.099 -1.117 4.230 1.00 0.00 ? 16 VAL A HG12 10 ATOM 5225 H HG13 . VAL A 1 16 ? 2.469 0.023 5.441 1.00 0.00 ? 16 VAL A HG13 10 ATOM 5226 H HG21 . VAL A 1 16 ? 4.331 -0.173 6.862 1.00 0.00 ? 16 VAL A HG21 10 ATOM 5227 H HG22 . VAL A 1 16 ? 5.080 -1.369 5.789 1.00 0.00 ? 16 VAL A HG22 10 ATOM 5228 H HG23 . VAL A 1 16 ? 5.995 0.069 6.302 1.00 0.00 ? 16 VAL A HG23 10 ATOM 5229 N N . TYR A 1 17 ? 4.211 -0.147 1.575 1.00 0.00 ? 17 TYR A N 10 ATOM 5230 C CA . TYR A 1 17 ? 3.461 0.074 0.336 1.00 0.00 ? 17 TYR A CA 10 ATOM 5231 C C . TYR A 1 17 ? 2.365 -1.004 0.194 1.00 0.00 ? 17 TYR A C 10 ATOM 5232 O O . TYR A 1 17 ? 2.205 -1.877 1.053 1.00 0.00 ? 17 TYR A O 10 ATOM 5233 C CB . TYR A 1 17 ? 4.448 0.064 -0.849 1.00 0.00 ? 17 TYR A CB 10 ATOM 5234 C CG . TYR A 1 17 ? 5.138 -1.254 -1.170 1.00 0.00 ? 17 TYR A CG 10 ATOM 5235 C CD1 . TYR A 1 17 ? 6.268 -1.662 -0.434 1.00 0.00 ? 17 TYR A CD1 10 ATOM 5236 C CD2 . TYR A 1 17 ? 4.704 -2.027 -2.268 1.00 0.00 ? 17 TYR A CD2 10 ATOM 5237 C CE1 . TYR A 1 17 ? 6.991 -2.807 -0.821 1.00 0.00 ? 17 TYR A CE1 10 ATOM 5238 C CE2 . TYR A 1 17 ? 5.413 -3.183 -2.646 1.00 0.00 ? 17 TYR A CE2 10 ATOM 5239 C CZ . TYR A 1 17 ? 6.577 -3.557 -1.943 1.00 0.00 ? 17 TYR A CZ 10 ATOM 5240 O OH . TYR A 1 17 ? 7.297 -4.637 -2.348 1.00 0.00 ? 17 TYR A OH 10 ATOM 5241 H H . TYR A 1 17 ? 4.231 -1.099 1.928 1.00 0.00 ? 17 TYR A H 10 ATOM 5242 H HA . TYR A 1 17 ? 2.969 1.047 0.371 1.00 0.00 ? 17 TYR A HA 10 ATOM 5243 H HB2 . TYR A 1 17 ? 3.920 0.400 -1.740 1.00 0.00 ? 17 TYR A HB2 10 ATOM 5244 H HB3 . TYR A 1 17 ? 5.221 0.812 -0.662 1.00 0.00 ? 17 TYR A HB3 10 ATOM 5245 H HD1 . TYR A 1 17 ? 6.615 -1.064 0.399 1.00 0.00 ? 17 TYR A HD1 10 ATOM 5246 H HD2 . TYR A 1 17 ? 3.843 -1.717 -2.844 1.00 0.00 ? 17 TYR A HD2 10 ATOM 5247 H HE1 . TYR A 1 17 ? 7.885 -3.090 -0.286 1.00 0.00 ? 17 TYR A HE1 10 ATOM 5248 H HE2 . TYR A 1 17 ? 5.086 -3.775 -3.489 1.00 0.00 ? 17 TYR A HE2 10 ATOM 5249 H HH . TYR A 1 17 ? 8.134 -4.705 -1.873 1.00 0.00 ? 17 TYR A HH 10 ATOM 5250 N N . TYR A 1 18 ? 1.590 -0.941 -0.887 1.00 0.00 ? 18 TYR A N 10 ATOM 5251 C CA . TYR A 1 18 ? 0.512 -1.878 -1.212 1.00 0.00 ? 18 TYR A CA 10 ATOM 5252 C C . TYR A 1 18 ? 0.851 -2.737 -2.434 1.00 0.00 ? 18 TYR A C 10 ATOM 5253 O O . TYR A 1 18 ? 1.397 -2.227 -3.416 1.00 0.00 ? 18 TYR A O 10 ATOM 5254 C CB . TYR A 1 18 ? -0.808 -1.118 -1.389 1.00 0.00 ? 18 TYR A CB 10 ATOM 5255 C CG . TYR A 1 18 ? -1.268 -0.410 -0.128 1.00 0.00 ? 18 TYR A CG 10 ATOM 5256 C CD1 . TYR A 1 18 ? -2.084 -1.076 0.808 1.00 0.00 ? 18 TYR A CD1 10 ATOM 5257 C CD2 . TYR A 1 18 ? -0.848 0.912 0.121 1.00 0.00 ? 18 TYR A CD2 10 ATOM 5258 C CE1 . TYR A 1 18 ? -2.479 -0.418 1.989 1.00 0.00 ? 18 TYR A CE1 10 ATOM 5259 C CE2 . TYR A 1 18 ? -1.233 1.569 1.307 1.00 0.00 ? 18 TYR A CE2 10 ATOM 5260 C CZ . TYR A 1 18 ? -2.050 0.901 2.245 1.00 0.00 ? 18 TYR A CZ 10 ATOM 5261 O OH . TYR A 1 18 ? -2.422 1.520 3.397 1.00 0.00 ? 18 TYR A OH 10 ATOM 5262 H H . TYR A 1 18 ? 1.762 -0.198 -1.556 1.00 0.00 ? 18 TYR A H 10 ATOM 5263 H HA . TYR A 1 18 ? 0.370 -2.565 -0.376 1.00 0.00 ? 18 TYR A HA 10 ATOM 5264 H HB2 . TYR A 1 18 ? -0.697 -0.387 -2.194 1.00 0.00 ? 18 TYR A HB2 10 ATOM 5265 H HB3 . TYR A 1 18 ? -1.580 -1.833 -1.684 1.00 0.00 ? 18 TYR A HB3 10 ATOM 5266 H HD1 . TYR A 1 18 ? -2.399 -2.096 0.627 1.00 0.00 ? 18 TYR A HD1 10 ATOM 5267 H HD2 . TYR A 1 18 ? -0.220 1.423 -0.599 1.00 0.00 ? 18 TYR A HD2 10 ATOM 5268 H HE1 . TYR A 1 18 ? -3.096 -0.923 2.717 1.00 0.00 ? 18 TYR A HE1 10 ATOM 5269 H HE2 . TYR A 1 18 ? -0.902 2.580 1.497 1.00 0.00 ? 18 TYR A HE2 10 ATOM 5270 H HH . TYR A 1 18 ? -2.061 2.412 3.454 1.00 0.00 ? 18 TYR A HH 10 ATOM 5271 N N . PHE A 1 19 ? 0.524 -4.030 -2.391 1.00 0.00 ? 19 PHE A N 10 ATOM 5272 C CA . PHE A 1 19 ? 0.871 -4.997 -3.432 1.00 0.00 ? 19 PHE A CA 10 ATOM 5273 C C . PHE A 1 19 ? -0.248 -6.000 -3.740 1.00 0.00 ? 19 PHE A C 10 ATOM 5274 O O . PHE A 1 19 ? -0.883 -6.519 -2.820 1.00 0.00 ? 19 PHE A O 10 ATOM 5275 C CB . PHE A 1 19 ? 2.194 -5.684 -3.073 1.00 0.00 ? 19 PHE A CB 10 ATOM 5276 C CG . PHE A 1 19 ? 2.592 -6.753 -4.062 1.00 0.00 ? 19 PHE A CG 10 ATOM 5277 C CD1 . PHE A 1 19 ? 3.103 -6.342 -5.302 1.00 0.00 ? 19 PHE A CD1 10 ATOM 5278 C CD2 . PHE A 1 19 ? 2.407 -8.124 -3.799 1.00 0.00 ? 19 PHE A CD2 10 ATOM 5279 C CE1 . PHE A 1 19 ? 3.424 -7.282 -6.287 1.00 0.00 ? 19 PHE A CE1 10 ATOM 5280 C CE2 . PHE A 1 19 ? 2.758 -9.075 -4.777 1.00 0.00 ? 19 PHE A CE2 10 ATOM 5281 C CZ . PHE A 1 19 ? 3.263 -8.655 -6.023 1.00 0.00 ? 19 PHE A CZ 10 ATOM 5282 H H . PHE A 1 19 ? 0.081 -4.394 -1.552 1.00 0.00 ? 19 PHE A H 10 ATOM 5283 H HA . PHE A 1 19 ? 1.054 -4.464 -4.367 1.00 0.00 ? 19 PHE A HA 10 ATOM 5284 H HB2 . PHE A 1 19 ? 2.984 -4.931 -3.027 1.00 0.00 ? 19 PHE A HB2 10 ATOM 5285 H HB3 . PHE A 1 19 ? 2.099 -6.140 -2.087 1.00 0.00 ? 19 PHE A HB3 10 ATOM 5286 H HD1 . PHE A 1 19 ? 3.222 -5.289 -5.511 1.00 0.00 ? 19 PHE A HD1 10 ATOM 5287 H HD2 . PHE A 1 19 ? 1.986 -8.452 -2.857 1.00 0.00 ? 19 PHE A HD2 10 ATOM 5288 H HE1 . PHE A 1 19 ? 3.774 -6.927 -7.244 1.00 0.00 ? 19 PHE A HE1 10 ATOM 5289 H HE2 . PHE A 1 19 ? 2.623 -10.128 -4.577 1.00 0.00 ? 19 PHE A HE2 10 ATOM 5290 H HZ . PHE A 1 19 ? 3.515 -9.387 -6.780 1.00 0.00 ? 19 PHE A HZ 10 ATOM 5291 N N . ASN A 1 20 ? -0.496 -6.287 -5.018 1.00 0.00 ? 20 ASN A N 10 ATOM 5292 C CA . ASN A 1 20 ? -1.506 -7.248 -5.453 1.00 0.00 ? 20 ASN A CA 10 ATOM 5293 C C . ASN A 1 20 ? -0.860 -8.590 -5.833 1.00 0.00 ? 20 ASN A C 10 ATOM 5294 O O . ASN A 1 20 ? -0.109 -8.669 -6.807 1.00 0.00 ? 20 ASN A O 10 ATOM 5295 C CB . ASN A 1 20 ? -2.309 -6.630 -6.605 1.00 0.00 ? 20 ASN A CB 10 ATOM 5296 C CG . ASN A 1 20 ? -3.580 -7.419 -6.855 1.00 0.00 ? 20 ASN A CG 10 ATOM 5297 O OD1 . ASN A 1 20 ? -3.556 -8.626 -7.039 1.00 0.00 ? 20 ASN A OD1 10 ATOM 5298 N ND2 . ASN A 1 20 ? -4.720 -6.773 -6.874 1.00 0.00 ? 20 ASN A ND2 10 ATOM 5299 H H . ASN A 1 20 ? 0.062 -5.831 -5.733 1.00 0.00 ? 20 ASN A H 10 ATOM 5300 H HA . ASN A 1 20 ? -2.198 -7.427 -4.635 1.00 0.00 ? 20 ASN A HA 10 ATOM 5301 H HB2 . ASN A 1 20 ? -2.572 -5.605 -6.349 1.00 0.00 ? 20 ASN A HB2 10 ATOM 5302 H HB3 . ASN A 1 20 ? -1.709 -6.620 -7.514 1.00 0.00 ? 20 ASN A HB3 10 ATOM 5303 H HD21 . ASN A 1 20 ? -4.742 -5.787 -6.651 1.00 0.00 ? 20 ASN A HD21 10 ATOM 5304 H HD22 . ASN A 1 20 ? -5.580 -7.302 -6.930 1.00 0.00 ? 20 ASN A HD22 10 ATOM 5305 N N . HIS A 1 21 ? -1.166 -9.662 -5.098 1.00 0.00 ? 21 HIS A N 10 ATOM 5306 C CA . HIS A 1 21 ? -0.560 -10.986 -5.323 1.00 0.00 ? 21 HIS A CA 10 ATOM 5307 C C . HIS A 1 21 ? -1.136 -11.730 -6.546 1.00 0.00 ? 21 HIS A C 10 ATOM 5308 O O . HIS A 1 21 ? -0.482 -12.624 -7.087 1.00 0.00 ? 21 HIS A O 10 ATOM 5309 C CB . HIS A 1 21 ? -0.637 -11.812 -4.024 1.00 0.00 ? 21 HIS A CB 10 ATOM 5310 C CG . HIS A 1 21 ? -1.835 -12.726 -3.887 1.00 0.00 ? 21 HIS A CG 10 ATOM 5311 N ND1 . HIS A 1 21 ? -1.856 -14.081 -4.233 1.00 0.00 ? 21 HIS A ND1 10 ATOM 5312 C CD2 . HIS A 1 21 ? -3.049 -12.393 -3.358 1.00 0.00 ? 21 HIS A CD2 10 ATOM 5313 C CE1 . HIS A 1 21 ? -3.078 -14.532 -3.899 1.00 0.00 ? 21 HIS A CE1 10 ATOM 5314 N NE2 . HIS A 1 21 ? -3.814 -13.539 -3.371 1.00 0.00 ? 21 HIS A NE2 10 ATOM 5315 H H . HIS A 1 21 ? -1.838 -9.552 -4.346 1.00 0.00 ? 21 HIS A H 10 ATOM 5316 H HA . HIS A 1 21 ? 0.498 -10.831 -5.540 1.00 0.00 ? 21 HIS A HA 10 ATOM 5317 H HB2 . HIS A 1 21 ? 0.255 -12.441 -3.988 1.00 0.00 ? 21 HIS A HB2 10 ATOM 5318 H HB3 . HIS A 1 21 ? -0.601 -11.142 -3.160 1.00 0.00 ? 21 HIS A HB3 10 ATOM 5319 H HD2 . HIS A 1 21 ? -3.347 -11.421 -2.990 1.00 0.00 ? 21 HIS A HD2 10 ATOM 5320 H HE1 . HIS A 1 21 ? -3.425 -15.551 -4.035 1.00 0.00 ? 21 HIS A HE1 10 ATOM 5321 H HE2 . HIS A 1 21 ? -4.767 -13.635 -3.034 1.00 0.00 ? 21 HIS A HE2 10 ATOM 5322 N N . ILE A 1 22 ? -2.331 -11.344 -7.009 1.00 0.00 ? 22 ILE A N 10 ATOM 5323 C CA . ILE A 1 22 ? -3.027 -11.919 -8.172 1.00 0.00 ? 22 ILE A CA 10 ATOM 5324 C C . ILE A 1 22 ? -2.513 -11.305 -9.487 1.00 0.00 ? 22 ILE A C 10 ATOM 5325 O O . ILE A 1 22 ? -2.331 -12.012 -10.480 1.00 0.00 ? 22 ILE A O 10 ATOM 5326 C CB . ILE A 1 22 ? -4.551 -11.679 -8.018 1.00 0.00 ? 22 ILE A CB 10 ATOM 5327 C CG1 . ILE A 1 22 ? -5.123 -12.231 -6.689 1.00 0.00 ? 22 ILE A CG1 10 ATOM 5328 C CG2 . ILE A 1 22 ? -5.342 -12.225 -9.218 1.00 0.00 ? 22 ILE A CG2 10 ATOM 5329 C CD1 . ILE A 1 22 ? -5.168 -13.757 -6.573 1.00 0.00 ? 22 ILE A CD1 10 ATOM 5330 H H . ILE A 1 22 ? -2.788 -10.570 -6.542 1.00 0.00 ? 22 ILE A H 10 ATOM 5331 H HA . ILE A 1 22 ? -2.843 -12.993 -8.209 1.00 0.00 ? 22 ILE A HA 10 ATOM 5332 H HB . ILE A 1 22 ? -4.717 -10.599 -8.013 1.00 0.00 ? 22 ILE A HB 10 ATOM 5333 H HG12 . ILE A 1 22 ? -4.532 -11.852 -5.853 1.00 0.00 ? 22 ILE A HG12 10 ATOM 5334 H HG13 . ILE A 1 22 ? -6.139 -11.854 -6.558 1.00 0.00 ? 22 ILE A HG13 10 ATOM 5335 H HG21 . ILE A 1 22 ? -5.107 -11.654 -10.115 1.00 0.00 ? 22 ILE A HG21 10 ATOM 5336 H HG22 . ILE A 1 22 ? -5.095 -13.273 -9.390 1.00 0.00 ? 22 ILE A HG22 10 ATOM 5337 H HG23 . ILE A 1 22 ? -6.412 -12.131 -9.028 1.00 0.00 ? 22 ILE A HG23 10 ATOM 5338 H HD11 . ILE A 1 22 ? -5.822 -14.178 -7.335 1.00 0.00 ? 22 ILE A HD11 10 ATOM 5339 H HD12 . ILE A 1 22 ? -4.166 -14.171 -6.675 1.00 0.00 ? 22 ILE A HD12 10 ATOM 5340 H HD13 . ILE A 1 22 ? -5.568 -14.021 -5.594 1.00 0.00 ? 22 ILE A HD13 10 ATOM 5341 N N . THR A 1 23 ? -2.265 -9.991 -9.486 1.00 0.00 ? 23 THR A N 10 ATOM 5342 C CA . THR A 1 23 ? -1.952 -9.169 -10.676 1.00 0.00 ? 23 THR A CA 10 ATOM 5343 C C . THR A 1 23 ? -0.527 -8.614 -10.768 1.00 0.00 ? 23 THR A C 10 ATOM 5344 O O . THR A 1 23 ? -0.165 -8.008 -11.777 1.00 0.00 ? 23 THR A O 10 ATOM 5345 C CB . THR A 1 23 ? -2.985 -8.042 -10.857 1.00 0.00 ? 23 THR A CB 10 ATOM 5346 O OG1 . THR A 1 23 ? -2.688 -6.987 -9.973 1.00 0.00 ? 23 THR A OG1 10 ATOM 5347 C CG2 . THR A 1 23 ? -4.435 -8.435 -10.577 1.00 0.00 ? 23 THR A CG2 10 ATOM 5348 H H . THR A 1 23 ? -2.471 -9.491 -8.628 1.00 0.00 ? 23 THR A H 10 ATOM 5349 H HA . THR A 1 23 ? -2.063 -9.807 -11.553 1.00 0.00 ? 23 THR A HA 10 ATOM 5350 H HB . THR A 1 23 ? -2.919 -7.669 -11.879 1.00 0.00 ? 23 THR A HB 10 ATOM 5351 H HG1 . THR A 1 23 ? -3.535 -6.571 -9.766 1.00 0.00 ? 23 THR A HG1 10 ATOM 5352 H HG21 . THR A 1 23 ? -4.691 -9.316 -11.164 1.00 0.00 ? 23 THR A HG21 10 ATOM 5353 H HG22 . THR A 1 23 ? -4.578 -8.646 -9.518 1.00 0.00 ? 23 THR A HG22 10 ATOM 5354 H HG23 . THR A 1 23 ? -5.092 -7.616 -10.866 1.00 0.00 ? 23 THR A HG23 10 ATOM 5355 N N . ASN A 1 24 ? 0.272 -8.793 -9.710 1.00 0.00 ? 24 ASN A N 10 ATOM 5356 C CA . ASN A 1 24 ? 1.592 -8.192 -9.470 1.00 0.00 ? 24 ASN A CA 10 ATOM 5357 C C . ASN A 1 24 ? 1.651 -6.648 -9.576 1.00 0.00 ? 24 ASN A C 10 ATOM 5358 O O . ASN A 1 24 ? 2.738 -6.081 -9.733 1.00 0.00 ? 24 ASN A O 10 ATOM 5359 C CB . ASN A 1 24 ? 2.721 -8.956 -10.198 1.00 0.00 ? 24 ASN A CB 10 ATOM 5360 C CG . ASN A 1 24 ? 2.728 -8.818 -11.713 1.00 0.00 ? 24 ASN A CG 10 ATOM 5361 O OD1 . ASN A 1 24 ? 2.429 -9.749 -12.452 1.00 0.00 ? 24 ASN A OD1 10 ATOM 5362 N ND2 . ASN A 1 24 ? 3.147 -7.682 -12.225 1.00 0.00 ? 24 ASN A ND2 10 ATOM 5363 H H . ASN A 1 24 ? -0.131 -9.284 -8.922 1.00 0.00 ? 24 ASN A H 10 ATOM 5364 H HA . ASN A 1 24 ? 1.782 -8.368 -8.413 1.00 0.00 ? 24 ASN A HA 10 ATOM 5365 H HB2 . ASN A 1 24 ? 3.682 -8.601 -9.823 1.00 0.00 ? 24 ASN A HB2 10 ATOM 5366 H HB3 . ASN A 1 24 ? 2.635 -10.018 -9.955 1.00 0.00 ? 24 ASN A HB3 10 ATOM 5367 H HD21 . ASN A 1 24 ? 3.375 -6.917 -11.600 1.00 0.00 ? 24 ASN A HD21 10 ATOM 5368 H HD22 . ASN A 1 24 ? 3.166 -7.580 -13.229 1.00 0.00 ? 24 ASN A HD22 10 ATOM 5369 N N . ALA A 1 25 ? 0.509 -5.955 -9.483 1.00 0.00 ? 25 ALA A N 10 ATOM 5370 C CA . ALA A 1 25 ? 0.457 -4.495 -9.360 1.00 0.00 ? 25 ALA A CA 10 ATOM 5371 C C . ALA A 1 25 ? 0.986 -4.009 -7.991 1.00 0.00 ? 25 ALA A C 10 ATOM 5372 O O . ALA A 1 25 ? 0.907 -4.728 -6.991 1.00 0.00 ? 25 ALA A O 10 ATOM 5373 C CB . ALA A 1 25 ? -0.984 -4.032 -9.604 1.00 0.00 ? 25 ALA A CB 10 ATOM 5374 H H . ALA A 1 25 ? -0.363 -6.465 -9.408 1.00 0.00 ? 25 ALA A H 10 ATOM 5375 H HA . ALA A 1 25 ? 1.088 -4.058 -10.136 1.00 0.00 ? 25 ALA A HA 10 ATOM 5376 H HB1 . ALA A 1 25 ? -1.030 -2.943 -9.580 1.00 0.00 ? 25 ALA A HB1 10 ATOM 5377 H HB2 . ALA A 1 25 ? -1.322 -4.377 -10.582 1.00 0.00 ? 25 ALA A HB2 10 ATOM 5378 H HB3 . ALA A 1 25 ? -1.642 -4.433 -8.834 1.00 0.00 ? 25 ALA A HB3 10 ATOM 5379 N N . SER A 1 26 ? 1.490 -2.773 -7.929 1.00 0.00 ? 26 SER A N 10 ATOM 5380 C CA . SER A 1 26 ? 1.996 -2.133 -6.702 1.00 0.00 ? 26 SER A CA 10 ATOM 5381 C C . SER A 1 26 ? 1.668 -0.631 -6.646 1.00 0.00 ? 26 SER A C 10 ATOM 5382 O O . SER A 1 26 ? 1.597 0.033 -7.686 1.00 0.00 ? 26 SER A O 10 ATOM 5383 C CB . SER A 1 26 ? 3.507 -2.357 -6.538 1.00 0.00 ? 26 SER A CB 10 ATOM 5384 O OG . SER A 1 26 ? 4.248 -1.792 -7.609 1.00 0.00 ? 26 SER A OG 10 ATOM 5385 H H . SER A 1 26 ? 1.532 -2.227 -8.778 1.00 0.00 ? 26 SER A H 10 ATOM 5386 H HA . SER A 1 26 ? 1.519 -2.619 -5.853 1.00 0.00 ? 26 SER A HA 10 ATOM 5387 H HB2 . SER A 1 26 ? 3.833 -1.911 -5.597 1.00 0.00 ? 26 SER A HB2 10 ATOM 5388 H HB3 . SER A 1 26 ? 3.707 -3.426 -6.493 1.00 0.00 ? 26 SER A HB3 10 ATOM 5389 H HG . SER A 1 26 ? 5.183 -2.003 -7.472 1.00 0.00 ? 26 SER A HG 10 ATOM 5390 N N . GLN A 1 27 ? 1.480 -0.085 -5.439 1.00 0.00 ? 27 GLN A N 10 ATOM 5391 C CA . GLN A 1 27 ? 1.213 1.342 -5.189 1.00 0.00 ? 27 GLN A CA 10 ATOM 5392 C C . GLN A 1 27 ? 1.764 1.847 -3.848 1.00 0.00 ? 27 GLN A C 10 ATOM 5393 O O . GLN A 1 27 ? 1.708 1.145 -2.837 1.00 0.00 ? 27 GLN A O 10 ATOM 5394 C CB . GLN A 1 27 ? -0.300 1.639 -5.185 1.00 0.00 ? 27 GLN A CB 10 ATOM 5395 C CG . GLN A 1 27 ? -0.982 1.636 -6.558 1.00 0.00 ? 27 GLN A CG 10 ATOM 5396 C CD . GLN A 1 27 ? -2.477 1.981 -6.526 1.00 0.00 ? 27 GLN A CD 10 ATOM 5397 O OE1 . GLN A 1 27 ? -3.179 1.846 -7.521 1.00 0.00 ? 27 GLN A OE1 10 ATOM 5398 N NE2 . GLN A 1 27 ? -3.026 2.505 -5.448 1.00 0.00 ? 27 GLN A NE2 10 ATOM 5399 H H . GLN A 1 27 ? 1.532 -0.696 -4.629 1.00 0.00 ? 27 GLN A H 10 ATOM 5400 H HA . GLN A 1 27 ? 1.680 1.935 -5.978 1.00 0.00 ? 27 GLN A HA 10 ATOM 5401 H HB2 . GLN A 1 27 ? -0.805 0.933 -4.524 1.00 0.00 ? 27 GLN A HB2 10 ATOM 5402 H HB3 . GLN A 1 27 ? -0.425 2.645 -4.786 1.00 0.00 ? 27 GLN A HB3 10 ATOM 5403 H HG2 . GLN A 1 27 ? -0.477 2.381 -7.172 1.00 0.00 ? 27 GLN A HG2 10 ATOM 5404 H HG3 . GLN A 1 27 ? -0.874 0.653 -7.010 1.00 0.00 ? 27 GLN A HG3 10 ATOM 5405 H HE21 . GLN A 1 27 ? -2.485 2.621 -4.592 1.00 0.00 ? 27 GLN A HE21 10 ATOM 5406 H HE22 . GLN A 1 27 ? -3.996 2.778 -5.491 1.00 0.00 ? 27 GLN A HE22 10 ATOM 5407 N N . PHE A 1 28 ? 2.227 3.102 -3.821 1.00 0.00 ? 28 PHE A N 10 ATOM 5408 C CA . PHE A 1 28 ? 2.577 3.819 -2.586 1.00 0.00 ? 28 PHE A CA 10 ATOM 5409 C C . PHE A 1 28 ? 1.390 4.407 -1.798 1.00 0.00 ? 28 PHE A C 10 ATOM 5410 O O . PHE A 1 28 ? 1.496 4.689 -0.603 1.00 0.00 ? 28 PHE A O 10 ATOM 5411 C CB . PHE A 1 28 ? 3.695 4.840 -2.841 1.00 0.00 ? 28 PHE A CB 10 ATOM 5412 C CG . PHE A 1 28 ? 5.078 4.231 -2.986 1.00 0.00 ? 28 PHE A CG 10 ATOM 5413 C CD1 . PHE A 1 28 ? 5.841 3.929 -1.840 1.00 0.00 ? 28 PHE A CD1 10 ATOM 5414 C CD2 . PHE A 1 28 ? 5.611 3.977 -4.264 1.00 0.00 ? 28 PHE A CD2 10 ATOM 5415 C CE1 . PHE A 1 28 ? 7.135 3.392 -1.975 1.00 0.00 ? 28 PHE A CE1 10 ATOM 5416 C CE2 . PHE A 1 28 ? 6.903 3.434 -4.398 1.00 0.00 ? 28 PHE A CE2 10 ATOM 5417 C CZ . PHE A 1 28 ? 7.667 3.147 -3.254 1.00 0.00 ? 28 PHE A CZ 10 ATOM 5418 H H . PHE A 1 28 ? 2.274 3.614 -4.690 1.00 0.00 ? 28 PHE A H 10 ATOM 5419 H HA . PHE A 1 28 ? 3.006 3.085 -1.902 1.00 0.00 ? 28 PHE A HA 10 ATOM 5420 H HB2 . PHE A 1 28 ? 3.453 5.425 -3.733 1.00 0.00 ? 28 PHE A HB2 10 ATOM 5421 H HB3 . PHE A 1 28 ? 3.734 5.530 -1.992 1.00 0.00 ? 28 PHE A HB3 10 ATOM 5422 H HD1 . PHE A 1 28 ? 5.438 4.118 -0.854 1.00 0.00 ? 28 PHE A HD1 10 ATOM 5423 H HD2 . PHE A 1 28 ? 5.030 4.204 -5.148 1.00 0.00 ? 28 PHE A HD2 10 ATOM 5424 H HE1 . PHE A 1 28 ? 7.722 3.171 -1.094 1.00 0.00 ? 28 PHE A HE1 10 ATOM 5425 H HE2 . PHE A 1 28 ? 7.310 3.243 -5.383 1.00 0.00 ? 28 PHE A HE2 10 ATOM 5426 H HZ . PHE A 1 28 ? 8.662 2.735 -3.357 1.00 0.00 ? 28 PHE A HZ 10 ATOM 5427 N N . GLU A 1 29 ? 0.247 4.565 -2.474 1.00 0.00 ? 29 GLU A N 10 ATOM 5428 C CA . GLU A 1 29 ? -1.057 4.971 -1.921 1.00 0.00 ? 29 GLU A CA 10 ATOM 5429 C C . GLU A 1 29 ? -2.045 3.792 -1.948 1.00 0.00 ? 29 GLU A C 10 ATOM 5430 O O . GLU A 1 29 ? -1.927 2.911 -2.805 1.00 0.00 ? 29 GLU A O 10 ATOM 5431 C CB . GLU A 1 29 ? -1.563 6.203 -2.702 1.00 0.00 ? 29 GLU A CB 10 ATOM 5432 C CG . GLU A 1 29 ? -3.040 6.622 -2.552 1.00 0.00 ? 29 GLU A CG 10 ATOM 5433 C CD . GLU A 1 29 ? -3.514 6.968 -1.123 1.00 0.00 ? 29 GLU A CD 10 ATOM 5434 O OE1 . GLU A 1 29 ? -2.863 6.583 -0.123 1.00 0.00 ? 29 GLU A OE1 10 ATOM 5435 O OE2 . GLU A 1 29 ? -4.579 7.620 -0.992 1.00 0.00 ? 29 GLU A OE2 10 ATOM 5436 H H . GLU A 1 29 ? 0.245 4.266 -3.442 1.00 0.00 ? 29 GLU A H 10 ATOM 5437 H HA . GLU A 1 29 ? -0.928 5.259 -0.878 1.00 0.00 ? 29 GLU A HA 10 ATOM 5438 H HB2 . GLU A 1 29 ? -0.936 7.055 -2.436 1.00 0.00 ? 29 GLU A HB2 10 ATOM 5439 H HB3 . GLU A 1 29 ? -1.404 6.005 -3.764 1.00 0.00 ? 29 GLU A HB3 10 ATOM 5440 H HG2 . GLU A 1 29 ? -3.198 7.492 -3.194 1.00 0.00 ? 29 GLU A HG2 10 ATOM 5441 H HG3 . GLU A 1 29 ? -3.668 5.822 -2.949 1.00 0.00 ? 29 GLU A HG3 10 ATOM 5442 N N . ARG A 1 30 ? -3.020 3.745 -1.029 1.00 0.00 ? 30 ARG A N 10 ATOM 5443 C CA . ARG A 1 30 ? -3.904 2.575 -0.903 1.00 0.00 ? 30 ARG A CA 10 ATOM 5444 C C . ARG A 1 30 ? -4.735 2.309 -2.181 1.00 0.00 ? 30 ARG A C 10 ATOM 5445 O O . ARG A 1 30 ? -5.158 3.257 -2.854 1.00 0.00 ? 30 ARG A O 10 ATOM 5446 C CB . ARG A 1 30 ? -4.769 2.629 0.369 1.00 0.00 ? 30 ARG A CB 10 ATOM 5447 C CG . ARG A 1 30 ? -5.936 3.636 0.350 1.00 0.00 ? 30 ARG A CG 10 ATOM 5448 C CD . ARG A 1 30 ? -7.188 3.062 1.029 1.00 0.00 ? 30 ARG A CD 10 ATOM 5449 N NE . ARG A 1 30 ? -7.755 1.917 0.278 1.00 0.00 ? 30 ARG A NE 10 ATOM 5450 C CZ . ARG A 1 30 ? -8.413 0.887 0.775 1.00 0.00 ? 30 ARG A CZ 10 ATOM 5451 N NH1 . ARG A 1 30 ? -8.619 0.708 2.049 1.00 0.00 ? 30 ARG A NH1 10 ATOM 5452 N NH2 . ARG A 1 30 ? -8.892 -0.012 -0.028 1.00 0.00 ? 30 ARG A NH2 10 ATOM 5453 H H . ARG A 1 30 ? -3.101 4.513 -0.368 1.00 0.00 ? 30 ARG A H 10 ATOM 5454 H HA . ARG A 1 30 ? -3.234 1.727 -0.777 1.00 0.00 ? 30 ARG A HA 10 ATOM 5455 H HB2 . ARG A 1 30 ? -5.161 1.626 0.535 1.00 0.00 ? 30 ARG A HB2 10 ATOM 5456 H HB3 . ARG A 1 30 ? -4.133 2.851 1.226 1.00 0.00 ? 30 ARG A HB3 10 ATOM 5457 H HG2 . ARG A 1 30 ? -5.621 4.536 0.882 1.00 0.00 ? 30 ARG A HG2 10 ATOM 5458 H HG3 . ARG A 1 30 ? -6.208 3.916 -0.667 1.00 0.00 ? 30 ARG A HG3 10 ATOM 5459 H HD2 . ARG A 1 30 ? -6.918 2.763 2.043 1.00 0.00 ? 30 ARG A HD2 10 ATOM 5460 H HD3 . ARG A 1 30 ? -7.940 3.850 1.094 1.00 0.00 ? 30 ARG A HD3 10 ATOM 5461 H HE . ARG A 1 30 ? -7.631 1.893 -0.731 1.00 0.00 ? 30 ARG A HE 10 ATOM 5462 H HH11 . ARG A 1 30 ? -8.277 1.386 2.708 1.00 0.00 ? 30 ARG A HH11 10 ATOM 5463 H HH12 . ARG A 1 30 ? -9.044 -0.155 2.367 1.00 0.00 ? 30 ARG A HH12 10 ATOM 5464 H HH21 . ARG A 1 30 ? -8.745 0.112 -1.024 1.00 0.00 ? 30 ARG A HH21 10 ATOM 5465 H HH22 . ARG A 1 30 ? -9.461 -0.756 0.339 1.00 0.00 ? 30 ARG A HH22 10 ATOM 5466 N N . PRO A 1 31 ? -4.986 1.035 -2.528 1.00 0.00 ? 31 PRO A N 10 ATOM 5467 C CA . PRO A 1 31 ? -5.746 0.642 -3.715 1.00 0.00 ? 31 PRO A CA 10 ATOM 5468 C C . PRO A 1 31 ? -7.258 0.878 -3.590 1.00 0.00 ? 31 PRO A C 10 ATOM 5469 O O . PRO A 1 31 ? -7.807 0.953 -2.486 1.00 0.00 ? 31 PRO A O 10 ATOM 5470 C CB . PRO A 1 31 ? -5.441 -0.845 -3.898 1.00 0.00 ? 31 PRO A CB 10 ATOM 5471 C CG . PRO A 1 31 ? -5.183 -1.324 -2.473 1.00 0.00 ? 31 PRO A CG 10 ATOM 5472 C CD . PRO A 1 31 ? -4.465 -0.140 -1.852 1.00 0.00 ? 31 PRO A CD 10 ATOM 5473 H HA . PRO A 1 31 ? -5.384 1.189 -4.583 1.00 0.00 ? 31 PRO A HA 10 ATOM 5474 H HB2 . PRO A 1 31 ? -6.277 -1.377 -4.346 1.00 0.00 ? 31 PRO A HB2 10 ATOM 5475 H HB3 . PRO A 1 31 ? -4.536 -0.959 -4.496 1.00 0.00 ? 31 PRO A HB3 10 ATOM 5476 H HG2 . PRO A 1 31 ? -6.131 -1.479 -1.960 1.00 0.00 ? 31 PRO A HG2 10 ATOM 5477 H HG3 . PRO A 1 31 ? -4.566 -2.219 -2.439 1.00 0.00 ? 31 PRO A HG3 10 ATOM 5478 H HD2 . PRO A 1 31 ? -4.654 -0.102 -0.779 1.00 0.00 ? 31 PRO A HD2 10 ATOM 5479 H HD3 . PRO A 1 31 ? -3.395 -0.219 -2.050 1.00 0.00 ? 31 PRO A HD3 10 ATOM 5480 N N . SER A 1 32 ? -7.942 0.924 -4.736 1.00 0.00 ? 32 SER A N 10 ATOM 5481 C CA . SER A 1 32 ? -9.404 1.087 -4.856 1.00 0.00 ? 32 SER A CA 10 ATOM 5482 C C . SER A 1 32 ? -10.084 0.096 -5.823 1.00 0.00 ? 32 SER A C 10 ATOM 5483 O O . SER A 1 32 ? -11.317 0.060 -5.894 1.00 0.00 ? 32 SER A O 10 ATOM 5484 C CB . SER A 1 32 ? -9.723 2.534 -5.252 1.00 0.00 ? 32 SER A CB 10 ATOM 5485 O OG . SER A 1 32 ? -9.153 2.851 -6.514 1.00 0.00 ? 32 SER A OG 10 ATOM 5486 H H . SER A 1 32 ? -7.409 0.934 -5.594 1.00 0.00 ? 32 SER A H 10 ATOM 5487 H HA . SER A 1 32 ? -9.858 0.913 -3.880 1.00 0.00 ? 32 SER A HA 10 ATOM 5488 H HB2 . SER A 1 32 ? -10.804 2.670 -5.293 1.00 0.00 ? 32 SER A HB2 10 ATOM 5489 H HB3 . SER A 1 32 ? -9.319 3.207 -4.493 1.00 0.00 ? 32 SER A HB3 10 ATOM 5490 H HG . SER A 1 32 ? -9.363 3.777 -6.712 1.00 0.00 ? 32 SER A HG 10 ATOM 5491 N N . GLY A 1 33 ? -9.312 -0.734 -6.544 1.00 0.00 ? 33 GLY A N 10 ATOM 5492 C CA . GLY A 1 33 ? -9.801 -1.776 -7.463 1.00 0.00 ? 33 GLY A CA 10 ATOM 5493 C C . GLY A 1 33 ? -8.688 -2.397 -8.309 1.00 0.00 ? 33 GLY A C 10 ATOM 5494 O O . GLY A 1 33 ? -7.792 -3.044 -7.726 1.00 0.00 ? 33 GLY A O 10 ATOM 5495 O OXT . GLY A 1 33 ? -8.726 -2.224 -9.547 1.00 0.00 ? 33 GLY A OXT 10 ATOM 5496 H H . GLY A 1 33 ? -8.313 -0.665 -6.422 1.00 0.00 ? 33 GLY A H 10 ATOM 5497 H HA2 . GLY A 1 33 ? -10.272 -2.575 -6.893 1.00 0.00 ? 33 GLY A HA2 10 ATOM 5498 H HA3 . GLY A 1 33 ? -10.547 -1.352 -8.135 1.00 0.00 ? 33 GLY A HA3 10 HETATM 5499 C C1 . GAL B 2 . ? 12.886 2.038 0.205 1.00 0.00 ? 101 GAL A C1 10 HETATM 5500 C C2 . GAL B 2 . ? 12.565 3.501 -0.162 1.00 0.00 ? 101 GAL A C2 10 HETATM 5501 C C3 . GAL B 2 . ? 11.534 3.494 -1.303 1.00 0.00 ? 101 GAL A C3 10 HETATM 5502 C C4 . GAL B 2 . ? 12.061 2.708 -2.521 1.00 0.00 ? 101 GAL A C4 10 HETATM 5503 C C5 . GAL B 2 . ? 12.523 1.293 -2.120 1.00 0.00 ? 101 GAL A C5 10 HETATM 5504 C C6 . GAL B 2 . ? 13.196 0.511 -3.257 1.00 0.00 ? 101 GAL A C6 10 HETATM 5505 O O2 . GAL B 2 . ? 12.022 4.206 0.988 1.00 0.00 ? 101 GAL A O2 10 HETATM 5506 O O3 . GAL B 2 . ? 11.241 4.856 -1.716 1.00 0.00 ? 101 GAL A O3 10 HETATM 5507 O O4 . GAL B 2 . ? 13.173 3.441 -3.088 1.00 0.00 ? 101 GAL A O4 10 HETATM 5508 O O5 . GAL B 2 . ? 13.453 1.356 -0.959 1.00 0.00 ? 101 GAL A O5 10 HETATM 5509 O O6 . GAL B 2 . ? 13.722 -0.716 -2.716 1.00 0.00 ? 101 GAL A O6 10 HETATM 5510 H H1 . GAL B 2 . ? 11.972 1.524 0.503 1.00 0.00 ? 101 GAL A H1 10 HETATM 5511 H H2 . GAL B 2 . ? 13.475 4.009 -0.484 1.00 0.00 ? 101 GAL A H2 10 HETATM 5512 H H3 . GAL B 2 . ? 10.611 3.030 -0.951 1.00 0.00 ? 101 GAL A H3 10 HETATM 5513 H H4 . GAL B 2 . ? 11.274 2.633 -3.272 1.00 0.00 ? 101 GAL A H4 10 HETATM 5514 H H5 . GAL B 2 . ? 11.642 0.737 -1.809 1.00 0.00 ? 101 GAL A H5 10 HETATM 5515 H H61 . GAL B 2 . ? 12.475 0.285 -4.046 1.00 0.00 ? 101 GAL A H61 10 HETATM 5516 H H62 . GAL B 2 . ? 14.021 1.084 -3.683 1.00 0.00 ? 101 GAL A H62 10 HETATM 5517 H HO2 . GAL B 2 . ? 12.774 4.458 1.547 1.00 0.00 ? 101 GAL A HO2 10 HETATM 5518 H HO3 . GAL B 2 . ? 11.014 5.358 -0.916 1.00 0.00 ? 101 GAL A HO3 10 HETATM 5519 H HO4 . GAL B 2 . ? 12.881 4.362 -3.189 1.00 0.00 ? 101 GAL A HO4 10 HETATM 5520 H HO6 . GAL B 2 . ? 14.144 -0.479 -1.877 1.00 0.00 ? 101 GAL A HO6 10 ATOM 5521 N N . LYS A 1 1 ? -11.709 -4.441 3.819 1.00 0.00 ? 1 LYS A N 11 ATOM 5522 C CA . LYS A 1 1 ? -10.343 -3.960 4.165 1.00 0.00 ? 1 LYS A CA 11 ATOM 5523 C C . LYS A 1 1 ? -9.611 -3.433 2.926 1.00 0.00 ? 1 LYS A C 11 ATOM 5524 O O . LYS A 1 1 ? -9.586 -2.218 2.714 1.00 0.00 ? 1 LYS A O 11 ATOM 5525 C CB . LYS A 1 1 ? -9.558 -5.021 4.976 1.00 0.00 ? 1 LYS A CB 11 ATOM 5526 C CG . LYS A 1 1 ? -8.108 -4.655 5.350 1.00 0.00 ? 1 LYS A CG 11 ATOM 5527 C CD . LYS A 1 1 ? -7.989 -3.351 6.162 1.00 0.00 ? 1 LYS A CD 11 ATOM 5528 C CE . LYS A 1 1 ? -6.537 -3.040 6.553 1.00 0.00 ? 1 LYS A CE 11 ATOM 5529 N NZ . LYS A 1 1 ? -5.990 -4.015 7.535 1.00 0.00 ? 1 LYS A NZ 11 ATOM 5530 H H1 . LYS A 1 1 ? -12.237 -3.712 3.361 1.00 0.00 ? 1 LYS A H1 11 ATOM 5531 H H2 . LYS A 1 1 ? -12.207 -4.708 4.655 1.00 0.00 ? 1 LYS A H2 11 ATOM 5532 H H3 . LYS A 1 1 ? -11.668 -5.243 3.206 1.00 0.00 ? 1 LYS A H3 11 ATOM 5533 H HA . LYS A 1 1 ? -10.463 -3.093 4.814 1.00 0.00 ? 1 LYS A HA 11 ATOM 5534 H HB2 . LYS A 1 1 ? -10.104 -5.220 5.900 1.00 0.00 ? 1 LYS A HB2 11 ATOM 5535 H HB3 . LYS A 1 1 ? -9.529 -5.955 4.411 1.00 0.00 ? 1 LYS A HB3 11 ATOM 5536 H HG2 . LYS A 1 1 ? -7.705 -5.479 5.939 1.00 0.00 ? 1 LYS A HG2 11 ATOM 5537 H HG3 . LYS A 1 1 ? -7.507 -4.571 4.447 1.00 0.00 ? 1 LYS A HG3 11 ATOM 5538 H HD2 . LYS A 1 1 ? -8.358 -2.518 5.563 1.00 0.00 ? 1 LYS A HD2 11 ATOM 5539 H HD3 . LYS A 1 1 ? -8.600 -3.422 7.064 1.00 0.00 ? 1 LYS A HD3 11 ATOM 5540 H HE2 . LYS A 1 1 ? -5.919 -3.033 5.649 1.00 0.00 ? 1 LYS A HE2 11 ATOM 5541 H HE3 . LYS A 1 1 ? -6.505 -2.036 6.986 1.00 0.00 ? 1 LYS A HE3 11 ATOM 5542 H HZ1 . LYS A 1 1 ? -5.046 -3.771 7.802 1.00 0.00 ? 1 LYS A HZ1 11 ATOM 5543 H HZ2 . LYS A 1 1 ? -6.548 -4.035 8.379 1.00 0.00 ? 1 LYS A HZ2 11 ATOM 5544 H HZ3 . LYS A 1 1 ? -5.966 -4.952 7.155 1.00 0.00 ? 1 LYS A HZ3 11 ATOM 5545 N N . LEU A 1 2 ? -9.051 -4.313 2.086 1.00 0.00 ? 2 LEU A N 11 ATOM 5546 C CA . LEU A 1 2 ? -8.392 -3.992 0.807 1.00 0.00 ? 2 LEU A CA 11 ATOM 5547 C C . LEU A 1 2 ? -9.178 -4.572 -0.396 1.00 0.00 ? 2 LEU A C 11 ATOM 5548 O O . LEU A 1 2 ? -9.962 -5.509 -0.203 1.00 0.00 ? 2 LEU A O 11 ATOM 5549 C CB . LEU A 1 2 ? -6.938 -4.512 0.848 1.00 0.00 ? 2 LEU A CB 11 ATOM 5550 C CG . LEU A 1 2 ? -5.985 -3.670 1.717 1.00 0.00 ? 2 LEU A CG 11 ATOM 5551 C CD1 . LEU A 1 2 ? -4.669 -4.413 1.939 1.00 0.00 ? 2 LEU A CD1 11 ATOM 5552 C CD2 . LEU A 1 2 ? -5.649 -2.332 1.055 1.00 0.00 ? 2 LEU A CD2 11 ATOM 5553 H H . LEU A 1 2 ? -9.113 -5.294 2.319 1.00 0.00 ? 2 LEU A H 11 ATOM 5554 H HA . LEU A 1 2 ? -8.371 -2.913 0.687 1.00 0.00 ? 2 LEU A HA 11 ATOM 5555 H HB2 . LEU A 1 2 ? -6.952 -5.540 1.222 1.00 0.00 ? 2 LEU A HB2 11 ATOM 5556 H HB3 . LEU A 1 2 ? -6.537 -4.527 -0.164 1.00 0.00 ? 2 LEU A HB3 11 ATOM 5557 H HG . LEU A 1 2 ? -6.441 -3.478 2.687 1.00 0.00 ? 2 LEU A HG 11 ATOM 5558 H HD11 . LEU A 1 2 ? -4.864 -5.367 2.430 1.00 0.00 ? 2 LEU A HD11 11 ATOM 5559 H HD12 . LEU A 1 2 ? -4.178 -4.597 0.983 1.00 0.00 ? 2 LEU A HD12 11 ATOM 5560 H HD13 . LEU A 1 2 ? -4.012 -3.820 2.576 1.00 0.00 ? 2 LEU A HD13 11 ATOM 5561 H HD21 . LEU A 1 2 ? -4.994 -1.756 1.707 1.00 0.00 ? 2 LEU A HD21 11 ATOM 5562 H HD22 . LEU A 1 2 ? -5.146 -2.507 0.105 1.00 0.00 ? 2 LEU A HD22 11 ATOM 5563 H HD23 . LEU A 1 2 ? -6.554 -1.754 0.887 1.00 0.00 ? 2 LEU A HD23 11 ATOM 5564 N N . PRO A 1 3 ? -9.000 -4.047 -1.629 1.00 0.00 ? 3 PRO A N 11 ATOM 5565 C CA . PRO A 1 3 ? -9.682 -4.552 -2.828 1.00 0.00 ? 3 PRO A CA 11 ATOM 5566 C C . PRO A 1 3 ? -9.167 -5.946 -3.261 1.00 0.00 ? 3 PRO A C 11 ATOM 5567 O O . PRO A 1 3 ? -8.163 -6.425 -2.723 1.00 0.00 ? 3 PRO A O 11 ATOM 5568 C CB . PRO A 1 3 ? -9.475 -3.488 -3.920 1.00 0.00 ? 3 PRO A CB 11 ATOM 5569 C CG . PRO A 1 3 ? -8.866 -2.287 -3.201 1.00 0.00 ? 3 PRO A CG 11 ATOM 5570 C CD . PRO A 1 3 ? -8.176 -2.904 -1.992 1.00 0.00 ? 3 PRO A CD 11 ATOM 5571 H HA . PRO A 1 3 ? -10.747 -4.623 -2.610 1.00 0.00 ? 3 PRO A HA 11 ATOM 5572 H HB2 . PRO A 1 3 ? -8.782 -3.844 -4.682 1.00 0.00 ? 3 PRO A HB2 11 ATOM 5573 H HB3 . PRO A 1 3 ? -10.425 -3.214 -4.383 1.00 0.00 ? 3 PRO A HB3 11 ATOM 5574 H HG2 . PRO A 1 3 ? -8.153 -1.762 -3.836 1.00 0.00 ? 3 PRO A HG2 11 ATOM 5575 H HG3 . PRO A 1 3 ? -9.659 -1.618 -2.866 1.00 0.00 ? 3 PRO A HG3 11 ATOM 5576 H HD2 . PRO A 1 3 ? -7.184 -3.251 -2.279 1.00 0.00 ? 3 PRO A HD2 11 ATOM 5577 H HD3 . PRO A 1 3 ? -8.099 -2.161 -1.200 1.00 0.00 ? 3 PRO A HD3 11 ATOM 5578 N N . PRO A 1 4 ? -9.809 -6.612 -4.246 1.00 0.00 ? 4 PRO A N 11 ATOM 5579 C CA . PRO A 1 4 ? -9.482 -7.985 -4.646 1.00 0.00 ? 4 PRO A CA 11 ATOM 5580 C C . PRO A 1 4 ? -7.996 -8.218 -4.972 1.00 0.00 ? 4 PRO A C 11 ATOM 5581 O O . PRO A 1 4 ? -7.423 -7.593 -5.869 1.00 0.00 ? 4 PRO A O 11 ATOM 5582 C CB . PRO A 1 4 ? -10.394 -8.293 -5.840 1.00 0.00 ? 4 PRO A CB 11 ATOM 5583 C CG . PRO A 1 4 ? -11.621 -7.430 -5.556 1.00 0.00 ? 4 PRO A CG 11 ATOM 5584 C CD . PRO A 1 4 ? -11.008 -6.170 -4.948 1.00 0.00 ? 4 PRO A CD 11 ATOM 5585 H HA . PRO A 1 4 ? -9.770 -8.643 -3.825 1.00 0.00 ? 4 PRO A HA 11 ATOM 5586 H HB2 . PRO A 1 4 ? -9.931 -7.964 -6.771 1.00 0.00 ? 4 PRO A HB2 11 ATOM 5587 H HB3 . PRO A 1 4 ? -10.649 -9.353 -5.890 1.00 0.00 ? 4 PRO A HB3 11 ATOM 5588 H HG2 . PRO A 1 4 ? -12.181 -7.209 -6.465 1.00 0.00 ? 4 PRO A HG2 11 ATOM 5589 H HG3 . PRO A 1 4 ? -12.257 -7.923 -4.819 1.00 0.00 ? 4 PRO A HG3 11 ATOM 5590 H HD2 . PRO A 1 4 ? -10.726 -5.478 -5.743 1.00 0.00 ? 4 PRO A HD2 11 ATOM 5591 H HD3 . PRO A 1 4 ? -11.726 -5.700 -4.273 1.00 0.00 ? 4 PRO A HD3 11 ATOM 5592 N N . GLY A 1 5 ? -7.375 -9.141 -4.232 1.00 0.00 ? 5 GLY A N 11 ATOM 5593 C CA . GLY A 1 5 ? -5.973 -9.551 -4.376 1.00 0.00 ? 5 GLY A CA 11 ATOM 5594 C C . GLY A 1 5 ? -4.920 -8.622 -3.752 1.00 0.00 ? 5 GLY A C 11 ATOM 5595 O O . GLY A 1 5 ? -3.749 -9.000 -3.715 1.00 0.00 ? 5 GLY A O 11 ATOM 5596 H H . GLY A 1 5 ? -7.915 -9.598 -3.510 1.00 0.00 ? 5 GLY A H 11 ATOM 5597 H HA2 . GLY A 1 5 ? -5.856 -10.533 -3.914 1.00 0.00 ? 5 GLY A HA2 11 ATOM 5598 H HA3 . GLY A 1 5 ? -5.742 -9.643 -5.440 1.00 0.00 ? 5 GLY A HA3 11 ATOM 5599 N N . TRP A 1 6 ? -5.286 -7.441 -3.244 1.00 0.00 ? 6 TRP A N 11 ATOM 5600 C CA . TRP A 1 6 ? -4.352 -6.513 -2.589 1.00 0.00 ? 6 TRP A CA 11 ATOM 5601 C C . TRP A 1 6 ? -3.962 -6.909 -1.156 1.00 0.00 ? 6 TRP A C 11 ATOM 5602 O O . TRP A 1 6 ? -4.816 -7.273 -0.344 1.00 0.00 ? 6 TRP A O 11 ATOM 5603 C CB . TRP A 1 6 ? -4.898 -5.083 -2.610 1.00 0.00 ? 6 TRP A CB 11 ATOM 5604 C CG . TRP A 1 6 ? -4.930 -4.398 -3.940 1.00 0.00 ? 6 TRP A CG 11 ATOM 5605 C CD1 . TRP A 1 6 ? -5.959 -4.449 -4.813 1.00 0.00 ? 6 TRP A CD1 11 ATOM 5606 C CD2 . TRP A 1 6 ? -3.832 -3.770 -4.672 1.00 0.00 ? 6 TRP A CD2 11 ATOM 5607 N NE1 . TRP A 1 6 ? -5.635 -3.757 -5.962 1.00 0.00 ? 6 TRP A NE1 11 ATOM 5608 C CE2 . TRP A 1 6 ? -4.316 -3.361 -5.951 1.00 0.00 ? 6 TRP A CE2 11 ATOM 5609 C CE3 . TRP A 1 6 ? -2.478 -3.496 -4.382 1.00 0.00 ? 6 TRP A CE3 11 ATOM 5610 C CZ2 . TRP A 1 6 ? -3.501 -2.730 -6.898 1.00 0.00 ? 6 TRP A CZ2 11 ATOM 5611 C CZ3 . TRP A 1 6 ? -1.653 -2.844 -5.319 1.00 0.00 ? 6 TRP A CZ3 11 ATOM 5612 C CH2 . TRP A 1 6 ? -2.159 -2.464 -6.576 1.00 0.00 ? 6 TRP A CH2 11 ATOM 5613 H H . TRP A 1 6 ? -6.267 -7.190 -3.261 1.00 0.00 ? 6 TRP A H 11 ATOM 5614 H HA . TRP A 1 6 ? -3.430 -6.499 -3.170 1.00 0.00 ? 6 TRP A HA 11 ATOM 5615 H HB2 . TRP A 1 6 ? -5.910 -5.101 -2.206 1.00 0.00 ? 6 TRP A HB2 11 ATOM 5616 H HB3 . TRP A 1 6 ? -4.279 -4.470 -1.948 1.00 0.00 ? 6 TRP A HB3 11 ATOM 5617 H HD1 . TRP A 1 6 ? -6.904 -4.939 -4.623 1.00 0.00 ? 6 TRP A HD1 11 ATOM 5618 H HE1 . TRP A 1 6 ? -6.310 -3.557 -6.708 1.00 0.00 ? 6 TRP A HE1 11 ATOM 5619 H HE3 . TRP A 1 6 ? -2.081 -3.787 -3.420 1.00 0.00 ? 6 TRP A HE3 11 ATOM 5620 H HZ2 . TRP A 1 6 ? -3.907 -2.470 -7.865 1.00 0.00 ? 6 TRP A HZ2 11 ATOM 5621 H HZ3 . TRP A 1 6 ? -0.621 -2.636 -5.075 1.00 0.00 ? 6 TRP A HZ3 11 ATOM 5622 H HH2 . TRP A 1 6 ? -1.515 -1.972 -7.294 1.00 0.00 ? 6 TRP A HH2 11 ATOM 5623 N N . GLU A 1 7 ? -2.678 -6.765 -0.825 1.00 0.00 ? 7 GLU A N 11 ATOM 5624 C CA . GLU A 1 7 ? -2.081 -6.998 0.498 1.00 0.00 ? 7 GLU A CA 11 ATOM 5625 C C . GLU A 1 7 ? -0.931 -6.012 0.796 1.00 0.00 ? 7 GLU A C 11 ATOM 5626 O O . GLU A 1 7 ? -0.289 -5.489 -0.119 1.00 0.00 ? 7 GLU A O 11 ATOM 5627 C CB . GLU A 1 7 ? -1.574 -8.453 0.602 1.00 0.00 ? 7 GLU A CB 11 ATOM 5628 C CG . GLU A 1 7 ? -2.663 -9.525 0.779 1.00 0.00 ? 7 GLU A CG 11 ATOM 5629 C CD . GLU A 1 7 ? -3.466 -9.416 2.096 1.00 0.00 ? 7 GLU A CD 11 ATOM 5630 O OE1 . GLU A 1 7 ? -3.091 -8.635 3.007 1.00 0.00 ? 7 GLU A OE1 11 ATOM 5631 O OE2 . GLU A 1 7 ? -4.466 -10.160 2.249 1.00 0.00 ? 7 GLU A OE2 11 ATOM 5632 H H . GLU A 1 7 ? -2.029 -6.513 -1.565 1.00 0.00 ? 7 GLU A H 11 ATOM 5633 H HA . GLU A 1 7 ? -2.839 -6.831 1.263 1.00 0.00 ? 7 GLU A HA 11 ATOM 5634 H HB2 . GLU A 1 7 ? -1.009 -8.693 -0.302 1.00 0.00 ? 7 GLU A HB2 11 ATOM 5635 H HB3 . GLU A 1 7 ? -0.890 -8.529 1.447 1.00 0.00 ? 7 GLU A HB3 11 ATOM 5636 H HG2 . GLU A 1 7 ? -3.341 -9.496 -0.076 1.00 0.00 ? 7 GLU A HG2 11 ATOM 5637 H HG3 . GLU A 1 7 ? -2.169 -10.499 0.759 1.00 0.00 ? 7 GLU A HG3 11 ATOM 5638 N N . LYS A 1 8 ? -0.650 -5.760 2.082 1.00 0.00 ? 8 LYS A N 11 ATOM 5639 C CA . LYS A 1 8 ? 0.480 -4.925 2.540 1.00 0.00 ? 8 LYS A CA 11 ATOM 5640 C C . LYS A 1 8 ? 1.854 -5.582 2.383 1.00 0.00 ? 8 LYS A C 11 ATOM 5641 O O . LYS A 1 8 ? 2.004 -6.798 2.545 1.00 0.00 ? 8 LYS A O 11 ATOM 5642 C CB . LYS A 1 8 ? 0.276 -4.422 3.979 1.00 0.00 ? 8 LYS A CB 11 ATOM 5643 C CG . LYS A 1 8 ? -0.660 -3.205 4.001 1.00 0.00 ? 8 LYS A CG 11 ATOM 5644 C CD . LYS A 1 8 ? -0.884 -2.644 5.413 1.00 0.00 ? 8 LYS A CD 11 ATOM 5645 C CE . LYS A 1 8 ? 0.382 -1.978 5.974 1.00 0.00 ? 8 LYS A CE 11 ATOM 5646 N NZ . LYS A 1 8 ? 0.149 -1.422 7.332 1.00 0.00 ? 8 LYS A NZ 11 ATOM 5647 H H . LYS A 1 8 ? -1.206 -6.230 2.785 1.00 0.00 ? 8 LYS A H 11 ATOM 5648 H HA . LYS A 1 8 ? 0.512 -4.045 1.894 1.00 0.00 ? 8 LYS A HA 11 ATOM 5649 H HB2 . LYS A 1 8 ? -0.126 -5.221 4.603 1.00 0.00 ? 8 LYS A HB2 11 ATOM 5650 H HB3 . LYS A 1 8 ? 1.242 -4.120 4.389 1.00 0.00 ? 8 LYS A HB3 11 ATOM 5651 H HG2 . LYS A 1 8 ? -0.235 -2.416 3.376 1.00 0.00 ? 8 LYS A HG2 11 ATOM 5652 H HG3 . LYS A 1 8 ? -1.622 -3.505 3.584 1.00 0.00 ? 8 LYS A HG3 11 ATOM 5653 H HD2 . LYS A 1 8 ? -1.681 -1.900 5.365 1.00 0.00 ? 8 LYS A HD2 11 ATOM 5654 H HD3 . LYS A 1 8 ? -1.204 -3.450 6.076 1.00 0.00 ? 8 LYS A HD3 11 ATOM 5655 H HE2 . LYS A 1 8 ? 1.192 -2.712 6.013 1.00 0.00 ? 8 LYS A HE2 11 ATOM 5656 H HE3 . LYS A 1 8 ? 0.688 -1.178 5.295 1.00 0.00 ? 8 LYS A HE3 11 ATOM 5657 H HZ1 . LYS A 1 8 ? -0.581 -0.721 7.323 1.00 0.00 ? 8 LYS A HZ1 11 ATOM 5658 H HZ2 . LYS A 1 8 ? -0.125 -2.147 7.983 1.00 0.00 ? 8 LYS A HZ2 11 ATOM 5659 H HZ3 . LYS A 1 8 ? 0.986 -0.988 7.698 1.00 0.00 ? 8 LYS A HZ3 11 ATOM 5660 N N . ARG A 1 9 ? 2.856 -4.756 2.080 1.00 0.00 ? 9 ARG A N 11 ATOM 5661 C CA . ARG A 1 9 ? 4.293 -5.078 1.982 1.00 0.00 ? 9 ARG A CA 11 ATOM 5662 C C . ARG A 1 9 ? 5.154 -3.992 2.641 1.00 0.00 ? 9 ARG A C 11 ATOM 5663 O O . ARG A 1 9 ? 4.666 -2.902 2.948 1.00 0.00 ? 9 ARG A O 11 ATOM 5664 C CB . ARG A 1 9 ? 4.695 -5.222 0.501 1.00 0.00 ? 9 ARG A CB 11 ATOM 5665 C CG . ARG A 1 9 ? 3.969 -6.304 -0.306 1.00 0.00 ? 9 ARG A CG 11 ATOM 5666 C CD . ARG A 1 9 ? 4.250 -7.713 0.234 1.00 0.00 ? 9 ARG A CD 11 ATOM 5667 N NE . ARG A 1 9 ? 3.537 -8.746 -0.540 1.00 0.00 ? 9 ARG A NE 11 ATOM 5668 C CZ . ARG A 1 9 ? 2.489 -9.451 -0.148 1.00 0.00 ? 9 ARG A CZ 11 ATOM 5669 N NH1 . ARG A 1 9 ? 1.832 -9.191 0.946 1.00 0.00 ? 9 ARG A NH1 11 ATOM 5670 N NH2 . ARG A 1 9 ? 2.076 -10.457 -0.864 1.00 0.00 ? 9 ARG A NH2 11 ATOM 5671 H H . ARG A 1 9 ? 2.600 -3.779 1.954 1.00 0.00 ? 9 ARG A H 11 ATOM 5672 H HA . ARG A 1 9 ? 4.503 -6.008 2.511 1.00 0.00 ? 9 ARG A HA 11 ATOM 5673 H HB2 . ARG A 1 9 ? 4.504 -4.266 0.015 1.00 0.00 ? 9 ARG A HB2 11 ATOM 5674 H HB3 . ARG A 1 9 ? 5.764 -5.426 0.443 1.00 0.00 ? 9 ARG A HB3 11 ATOM 5675 H HG2 . ARG A 1 9 ? 2.898 -6.095 -0.304 1.00 0.00 ? 9 ARG A HG2 11 ATOM 5676 H HG3 . ARG A 1 9 ? 4.333 -6.257 -1.333 1.00 0.00 ? 9 ARG A HG3 11 ATOM 5677 H HD2 . ARG A 1 9 ? 5.325 -7.901 0.157 1.00 0.00 ? 9 ARG A HD2 11 ATOM 5678 H HD3 . ARG A 1 9 ? 3.973 -7.770 1.288 1.00 0.00 ? 9 ARG A HD3 11 ATOM 5679 H HE . ARG A 1 9 ? 3.973 -9.047 -1.399 1.00 0.00 ? 9 ARG A HE 11 ATOM 5680 H HH11 . ARG A 1 9 ? 2.080 -8.379 1.502 1.00 0.00 ? 9 ARG A HH11 11 ATOM 5681 H HH12 . ARG A 1 9 ? 1.068 -9.778 1.233 1.00 0.00 ? 9 ARG A HH12 11 ATOM 5682 H HH21 . ARG A 1 9 ? 2.576 -10.726 -1.696 1.00 0.00 ? 9 ARG A HH21 11 ATOM 5683 H HH22 . ARG A 1 9 ? 1.286 -11.003 -0.561 1.00 0.00 ? 9 ARG A HH22 11 ATOM 5684 N N . MET A 1 10 ? 6.450 -4.263 2.811 1.00 0.00 ? 10 MET A N 11 ATOM 5685 C CA . MET A 1 10 ? 7.418 -3.301 3.350 1.00 0.00 ? 10 MET A CA 11 ATOM 5686 C C . MET A 1 10 ? 8.849 -3.605 2.878 1.00 0.00 ? 10 MET A C 11 ATOM 5687 O O . MET A 1 10 ? 9.301 -4.753 2.904 1.00 0.00 ? 10 MET A O 11 ATOM 5688 C CB . MET A 1 10 ? 7.339 -3.284 4.889 1.00 0.00 ? 10 MET A CB 11 ATOM 5689 C CG . MET A 1 10 ? 8.126 -2.118 5.504 1.00 0.00 ? 10 MET A CG 11 ATOM 5690 S SD . MET A 1 10 ? 8.164 -2.082 7.317 1.00 0.00 ? 10 MET A SD 11 ATOM 5691 C CE . MET A 1 10 ? 9.353 -3.416 7.635 1.00 0.00 ? 10 MET A CE 11 ATOM 5692 H H . MET A 1 10 ? 6.791 -5.172 2.531 1.00 0.00 ? 10 MET A H 11 ATOM 5693 H HA . MET A 1 10 ? 7.142 -2.315 2.982 1.00 0.00 ? 10 MET A HA 11 ATOM 5694 H HB2 . MET A 1 10 ? 6.298 -3.187 5.199 1.00 0.00 ? 10 MET A HB2 11 ATOM 5695 H HB3 . MET A 1 10 ? 7.724 -4.228 5.276 1.00 0.00 ? 10 MET A HB3 11 ATOM 5696 H HG2 . MET A 1 10 ? 9.154 -2.137 5.144 1.00 0.00 ? 10 MET A HG2 11 ATOM 5697 H HG3 . MET A 1 10 ? 7.669 -1.189 5.165 1.00 0.00 ? 10 MET A HG3 11 ATOM 5698 H HE1 . MET A 1 10 ? 9.534 -3.495 8.708 1.00 0.00 ? 10 MET A HE1 11 ATOM 5699 H HE2 . MET A 1 10 ? 8.957 -4.364 7.271 1.00 0.00 ? 10 MET A HE2 11 ATOM 5700 H HE3 . MET A 1 10 ? 10.294 -3.200 7.129 1.00 0.00 ? 10 MET A HE3 11 ATOM 5701 N N . PHE A 1 11 ? 9.559 -2.561 2.451 1.00 0.00 ? 11 PHE A N 11 ATOM 5702 C CA . PHE A 1 11 ? 10.975 -2.575 2.079 1.00 0.00 ? 11 PHE A CA 11 ATOM 5703 C C . PHE A 1 11 ? 11.958 -2.738 3.252 1.00 0.00 ? 11 PHE A C 11 ATOM 5704 O O . PHE A 1 11 ? 11.626 -2.421 4.398 1.00 0.00 ? 11 PHE A O 11 ATOM 5705 C CB . PHE A 1 11 ? 11.294 -1.324 1.246 1.00 0.00 ? 11 PHE A CB 11 ATOM 5706 C CG . PHE A 1 11 ? 10.660 -1.282 -0.132 1.00 0.00 ? 11 PHE A CG 11 ATOM 5707 C CD1 . PHE A 1 11 ? 11.170 -2.075 -1.177 1.00 0.00 ? 11 PHE A CD1 11 ATOM 5708 C CD2 . PHE A 1 11 ? 9.573 -0.422 -0.384 1.00 0.00 ? 11 PHE A CD2 11 ATOM 5709 C CE1 . PHE A 1 11 ? 10.605 -2.000 -2.465 1.00 0.00 ? 11 PHE A CE1 11 ATOM 5710 C CE2 . PHE A 1 11 ? 9.015 -0.339 -1.670 1.00 0.00 ? 11 PHE A CE2 11 ATOM 5711 C CZ . PHE A 1 11 ? 9.530 -1.128 -2.712 1.00 0.00 ? 11 PHE A CZ 11 ATOM 5712 H H . PHE A 1 11 ? 9.100 -1.656 2.464 1.00 0.00 ? 11 PHE A H 11 ATOM 5713 H HA . PHE A 1 11 ? 11.136 -3.439 1.431 1.00 0.00 ? 11 PHE A HA 11 ATOM 5714 H HB2 . PHE A 1 11 ? 10.980 -0.448 1.814 1.00 0.00 ? 11 PHE A HB2 11 ATOM 5715 H HB3 . PHE A 1 11 ? 12.377 -1.261 1.104 1.00 0.00 ? 11 PHE A HB3 11 ATOM 5716 H HD1 . PHE A 1 11 ? 12.010 -2.734 -0.999 1.00 0.00 ? 11 PHE A HD1 11 ATOM 5717 H HD2 . PHE A 1 11 ? 9.151 0.174 0.409 1.00 0.00 ? 11 PHE A HD2 11 ATOM 5718 H HE1 . PHE A 1 11 ? 11.004 -2.608 -3.266 1.00 0.00 ? 11 PHE A HE1 11 ATOM 5719 H HE2 . PHE A 1 11 ? 8.174 0.318 -1.845 1.00 0.00 ? 11 PHE A HE2 11 ATOM 5720 H HZ . PHE A 1 11 ? 9.093 -1.072 -3.701 1.00 0.00 ? 11 PHE A HZ 11 ATOM 5721 N N . ALA A 1 12 ? 13.197 -3.158 2.975 1.00 0.00 ? 12 ALA A N 11 ATOM 5722 C CA . ALA A 1 12 ? 14.248 -3.336 3.988 1.00 0.00 ? 12 ALA A CA 11 ATOM 5723 C C . ALA A 1 12 ? 14.647 -2.032 4.724 1.00 0.00 ? 12 ALA A C 11 ATOM 5724 O O . ALA A 1 12 ? 15.150 -2.085 5.850 1.00 0.00 ? 12 ALA A O 11 ATOM 5725 C CB . ALA A 1 12 ? 15.461 -3.973 3.297 1.00 0.00 ? 12 ALA A CB 11 ATOM 5726 H H . ALA A 1 12 ? 13.421 -3.397 2.019 1.00 0.00 ? 12 ALA A H 11 ATOM 5727 H HA . ALA A 1 12 ? 13.882 -4.034 4.744 1.00 0.00 ? 12 ALA A HA 11 ATOM 5728 H HB1 . ALA A 1 12 ? 16.241 -4.171 4.034 1.00 0.00 ? 12 ALA A HB1 11 ATOM 5729 H HB2 . ALA A 1 12 ? 15.171 -4.918 2.834 1.00 0.00 ? 12 ALA A HB2 11 ATOM 5730 H HB3 . ALA A 1 12 ? 15.855 -3.301 2.533 1.00 0.00 ? 12 ALA A HB3 11 ATOM 5731 N N . ASN A 1 13 ? 14.399 -0.865 4.116 1.00 0.00 ? 13 ASN A N 11 ATOM 5732 C CA . ASN A 1 13 ? 14.596 0.463 4.718 1.00 0.00 ? 13 ASN A CA 11 ATOM 5733 C C . ASN A 1 13 ? 13.441 0.920 5.649 1.00 0.00 ? 13 ASN A C 11 ATOM 5734 O O . ASN A 1 13 ? 13.523 2.005 6.233 1.00 0.00 ? 13 ASN A O 11 ATOM 5735 C CB . ASN A 1 13 ? 14.870 1.488 3.592 1.00 0.00 ? 13 ASN A CB 11 ATOM 5736 C CG . ASN A 1 13 ? 13.722 1.663 2.607 1.00 0.00 ? 13 ASN A CG 11 ATOM 5737 O OD1 . ASN A 1 13 ? 12.588 1.282 2.889 1.00 0.00 ? 13 ASN A OD1 11 ATOM 5738 N ND2 . ASN A 1 13 ? 13.990 2.266 1.461 1.00 0.00 ? 13 ASN A ND2 11 ATOM 5739 H H . ASN A 1 13 ? 13.991 -0.904 3.193 1.00 0.00 ? 13 ASN A H 11 ATOM 5740 H HA . ASN A 1 13 ? 15.488 0.423 5.344 1.00 0.00 ? 13 ASN A HA 11 ATOM 5741 H HB2 . ASN A 1 13 ? 15.086 2.462 4.035 1.00 0.00 ? 13 ASN A HB2 11 ATOM 5742 H HB3 . ASN A 1 13 ? 15.752 1.161 3.036 1.00 0.00 ? 13 ASN A HB3 11 ATOM 5743 H HD21 . ASN A 1 13 ? 14.931 2.587 1.290 1.00 0.00 ? 13 ASN A HD21 11 ATOM 5744 N N . GLY A 1 14 ? 12.366 0.131 5.783 1.00 0.00 ? 14 GLY A N 11 ATOM 5745 C CA . GLY A 1 14 ? 11.185 0.458 6.596 1.00 0.00 ? 14 GLY A CA 11 ATOM 5746 C C . GLY A 1 14 ? 10.076 1.236 5.868 1.00 0.00 ? 14 GLY A C 11 ATOM 5747 O O . GLY A 1 14 ? 9.238 1.856 6.527 1.00 0.00 ? 14 GLY A O 11 ATOM 5748 H H . GLY A 1 14 ? 12.356 -0.749 5.281 1.00 0.00 ? 14 GLY A H 11 ATOM 5749 H HA2 . GLY A 1 14 ? 10.749 -0.480 6.944 1.00 0.00 ? 14 GLY A HA2 11 ATOM 5750 H HA3 . GLY A 1 14 ? 11.491 1.043 7.465 1.00 0.00 ? 14 GLY A HA3 11 ATOM 5751 N N . THR A 1 15 ? 10.037 1.208 4.531 1.00 0.00 ? 15 THR A N 11 ATOM 5752 C CA . THR A 1 15 ? 9.018 1.889 3.707 1.00 0.00 ? 15 THR A CA 11 ATOM 5753 C C . THR A 1 15 ? 7.882 0.929 3.362 1.00 0.00 ? 15 THR A C 11 ATOM 5754 O O . THR A 1 15 ? 8.130 -0.137 2.803 1.00 0.00 ? 15 THR A O 11 ATOM 5755 C CB . THR A 1 15 ? 9.644 2.406 2.402 1.00 0.00 ? 15 THR A CB 11 ATOM 5756 O OG1 . THR A 1 15 ? 10.712 3.282 2.674 1.00 0.00 ? 15 THR A OG1 11 ATOM 5757 C CG2 . THR A 1 15 ? 8.658 3.125 1.491 1.00 0.00 ? 15 THR A CG2 11 ATOM 5758 H H . THR A 1 15 ? 10.774 0.717 4.042 1.00 0.00 ? 15 THR A H 11 ATOM 5759 H HA . THR A 1 15 ? 8.611 2.744 4.248 1.00 0.00 ? 15 THR A HA 11 ATOM 5760 H HB . THR A 1 15 ? 10.053 1.562 1.850 1.00 0.00 ? 15 THR A HB 11 ATOM 5761 H HG1 . THR A 1 15 ? 11.404 2.714 3.059 1.00 0.00 ? 15 THR A HG1 11 ATOM 5762 H HG21 . THR A 1 15 ? 8.121 3.886 2.055 1.00 0.00 ? 15 THR A HG21 11 ATOM 5763 H HG22 . THR A 1 15 ? 9.196 3.591 0.668 1.00 0.00 ? 15 THR A HG22 11 ATOM 5764 H HG23 . THR A 1 15 ? 7.953 2.402 1.075 1.00 0.00 ? 15 THR A HG23 11 ATOM 5765 N N . VAL A 1 16 ? 6.633 1.302 3.651 1.00 0.00 ? 16 VAL A N 11 ATOM 5766 C CA . VAL A 1 16 ? 5.448 0.438 3.468 1.00 0.00 ? 16 VAL A CA 11 ATOM 5767 C C . VAL A 1 16 ? 4.816 0.733 2.104 1.00 0.00 ? 16 VAL A C 11 ATOM 5768 O O . VAL A 1 16 ? 4.769 1.883 1.657 1.00 0.00 ? 16 VAL A O 11 ATOM 5769 C CB . VAL A 1 16 ? 4.431 0.684 4.605 1.00 0.00 ? 16 VAL A CB 11 ATOM 5770 C CG1 . VAL A 1 16 ? 3.049 0.053 4.372 1.00 0.00 ? 16 VAL A CG1 11 ATOM 5771 C CG2 . VAL A 1 16 ? 4.964 0.119 5.928 1.00 0.00 ? 16 VAL A CG2 11 ATOM 5772 H H . VAL A 1 16 ? 6.491 2.212 4.068 1.00 0.00 ? 16 VAL A H 11 ATOM 5773 H HA . VAL A 1 16 ? 5.741 -0.611 3.493 1.00 0.00 ? 16 VAL A HA 11 ATOM 5774 H HB . VAL A 1 16 ? 4.288 1.759 4.721 1.00 0.00 ? 16 VAL A HB 11 ATOM 5775 H HG11 . VAL A 1 16 ? 2.416 0.233 5.241 1.00 0.00 ? 16 VAL A HG11 11 ATOM 5776 H HG12 . VAL A 1 16 ? 2.562 0.506 3.510 1.00 0.00 ? 16 VAL A HG12 11 ATOM 5777 H HG13 . VAL A 1 16 ? 3.147 -1.021 4.212 1.00 0.00 ? 16 VAL A HG13 11 ATOM 5778 H HG21 . VAL A 1 16 ? 4.259 0.337 6.731 1.00 0.00 ? 16 VAL A HG21 11 ATOM 5779 H HG22 . VAL A 1 16 ? 5.084 -0.961 5.849 1.00 0.00 ? 16 VAL A HG22 11 ATOM 5780 H HG23 . VAL A 1 16 ? 5.924 0.573 6.175 1.00 0.00 ? 16 VAL A HG23 11 ATOM 5781 N N . TYR A 1 17 ? 4.313 -0.316 1.449 1.00 0.00 ? 17 TYR A N 11 ATOM 5782 C CA . TYR A 1 17 ? 3.587 -0.235 0.177 1.00 0.00 ? 17 TYR A CA 11 ATOM 5783 C C . TYR A 1 17 ? 2.500 -1.325 0.109 1.00 0.00 ? 17 TYR A C 11 ATOM 5784 O O . TYR A 1 17 ? 2.327 -2.128 1.032 1.00 0.00 ? 17 TYR A O 11 ATOM 5785 C CB . TYR A 1 17 ? 4.586 -0.339 -0.996 1.00 0.00 ? 17 TYR A CB 11 ATOM 5786 C CG . TYR A 1 17 ? 5.331 -1.654 -1.173 1.00 0.00 ? 17 TYR A CG 11 ATOM 5787 C CD1 . TYR A 1 17 ? 6.474 -1.925 -0.394 1.00 0.00 ? 17 TYR A CD1 11 ATOM 5788 C CD2 . TYR A 1 17 ? 4.941 -2.564 -2.181 1.00 0.00 ? 17 TYR A CD2 11 ATOM 5789 C CE1 . TYR A 1 17 ? 7.249 -3.075 -0.645 1.00 0.00 ? 17 TYR A CE1 11 ATOM 5790 C CE2 . TYR A 1 17 ? 5.714 -3.715 -2.434 1.00 0.00 ? 17 TYR A CE2 11 ATOM 5791 C CZ . TYR A 1 17 ? 6.879 -3.964 -1.678 1.00 0.00 ? 17 TYR A CZ 11 ATOM 5792 O OH . TYR A 1 17 ? 7.628 -5.071 -1.932 1.00 0.00 ? 17 TYR A OH 11 ATOM 5793 H H . TYR A 1 17 ? 4.354 -1.225 1.898 1.00 0.00 ? 17 TYR A H 11 ATOM 5794 H HA . TYR A 1 17 ? 3.081 0.729 0.108 1.00 0.00 ? 17 TYR A HA 11 ATOM 5795 H HB2 . TYR A 1 17 ? 4.059 -0.117 -1.923 1.00 0.00 ? 17 TYR A HB2 11 ATOM 5796 H HB3 . TYR A 1 17 ? 5.331 0.451 -0.878 1.00 0.00 ? 17 TYR A HB3 11 ATOM 5797 H HD1 . TYR A 1 17 ? 6.784 -1.225 0.371 1.00 0.00 ? 17 TYR A HD1 11 ATOM 5798 H HD2 . TYR A 1 17 ? 4.058 -2.384 -2.781 1.00 0.00 ? 17 TYR A HD2 11 ATOM 5799 H HE1 . TYR A 1 17 ? 8.142 -3.261 -0.067 1.00 0.00 ? 17 TYR A HE1 11 ATOM 5800 H HE2 . TYR A 1 17 ? 5.423 -4.409 -3.211 1.00 0.00 ? 17 TYR A HE2 11 ATOM 5801 H HH . TYR A 1 17 ? 8.437 -5.081 -1.409 1.00 0.00 ? 17 TYR A HH 11 ATOM 5802 N N . TYR A 1 18 ? 1.766 -1.354 -0.999 1.00 0.00 ? 18 TYR A N 11 ATOM 5803 C CA . TYR A 1 18 ? 0.694 -2.303 -1.296 1.00 0.00 ? 18 TYR A CA 11 ATOM 5804 C C . TYR A 1 18 ? 1.010 -3.090 -2.569 1.00 0.00 ? 18 TYR A C 11 ATOM 5805 O O . TYR A 1 18 ? 1.548 -2.538 -3.533 1.00 0.00 ? 18 TYR A O 11 ATOM 5806 C CB . TYR A 1 18 ? -0.647 -1.560 -1.399 1.00 0.00 ? 18 TYR A CB 11 ATOM 5807 C CG . TYR A 1 18 ? -1.054 -0.838 -0.126 1.00 0.00 ? 18 TYR A CG 11 ATOM 5808 C CD1 . TYR A 1 18 ? -1.845 -1.491 0.840 1.00 0.00 ? 18 TYR A CD1 11 ATOM 5809 C CD2 . TYR A 1 18 ? -0.628 0.488 0.094 1.00 0.00 ? 18 TYR A CD2 11 ATOM 5810 C CE1 . TYR A 1 18 ? -2.207 -0.822 2.025 1.00 0.00 ? 18 TYR A CE1 11 ATOM 5811 C CE2 . TYR A 1 18 ? -0.972 1.152 1.287 1.00 0.00 ? 18 TYR A CE2 11 ATOM 5812 C CZ . TYR A 1 18 ? -1.765 0.499 2.254 1.00 0.00 ? 18 TYR A CZ 11 ATOM 5813 O OH . TYR A 1 18 ? -2.104 1.148 3.401 1.00 0.00 ? 18 TYR A OH 11 ATOM 5814 H H . TYR A 1 18 ? 1.951 -0.651 -1.706 1.00 0.00 ? 18 TYR A H 11 ATOM 5815 H HA . TYR A 1 18 ? 0.609 -3.020 -0.479 1.00 0.00 ? 18 TYR A HA 11 ATOM 5816 H HB2 . TYR A 1 18 ? -0.590 -0.835 -2.216 1.00 0.00 ? 18 TYR A HB2 11 ATOM 5817 H HB3 . TYR A 1 18 ? -1.425 -2.287 -1.645 1.00 0.00 ? 18 TYR A HB3 11 ATOM 5818 H HD1 . TYR A 1 18 ? -2.173 -2.510 0.674 1.00 0.00 ? 18 TYR A HD1 11 ATOM 5819 H HD2 . TYR A 1 18 ? -0.028 0.994 -0.651 1.00 0.00 ? 18 TYR A HD2 11 ATOM 5820 H HE1 . TYR A 1 18 ? -2.811 -1.324 2.767 1.00 0.00 ? 18 TYR A HE1 11 ATOM 5821 H HE2 . TYR A 1 18 ? -0.639 2.166 1.465 1.00 0.00 ? 18 TYR A HE2 11 ATOM 5822 H HH . TYR A 1 18 ? -2.669 0.608 3.964 1.00 0.00 ? 18 TYR A HH 11 ATOM 5823 N N . PHE A 1 19 ? 0.668 -4.377 -2.586 1.00 0.00 ? 19 PHE A N 11 ATOM 5824 C CA . PHE A 1 19 ? 0.941 -5.297 -3.687 1.00 0.00 ? 19 PHE A CA 11 ATOM 5825 C C . PHE A 1 19 ? -0.236 -6.235 -3.971 1.00 0.00 ? 19 PHE A C 11 ATOM 5826 O O . PHE A 1 19 ? -0.846 -6.765 -3.041 1.00 0.00 ? 19 PHE A O 11 ATOM 5827 C CB . PHE A 1 19 ? 2.230 -6.073 -3.404 1.00 0.00 ? 19 PHE A CB 11 ATOM 5828 C CG . PHE A 1 19 ? 2.555 -7.091 -4.472 1.00 0.00 ? 19 PHE A CG 11 ATOM 5829 C CD1 . PHE A 1 19 ? 3.057 -6.629 -5.698 1.00 0.00 ? 19 PHE A CD1 11 ATOM 5830 C CD2 . PHE A 1 19 ? 2.310 -8.465 -4.284 1.00 0.00 ? 19 PHE A CD2 11 ATOM 5831 C CE1 . PHE A 1 19 ? 3.302 -7.525 -6.745 1.00 0.00 ? 19 PHE A CE1 11 ATOM 5832 C CE2 . PHE A 1 19 ? 2.585 -9.370 -5.325 1.00 0.00 ? 19 PHE A CE2 11 ATOM 5833 C CZ . PHE A 1 19 ? 3.078 -8.901 -6.559 1.00 0.00 ? 19 PHE A CZ 11 ATOM 5834 H H . PHE A 1 19 ? 0.239 -4.769 -1.752 1.00 0.00 ? 19 PHE A H 11 ATOM 5835 H HA . PHE A 1 19 ? 1.112 -4.730 -4.603 1.00 0.00 ? 19 PHE A HA 11 ATOM 5836 H HB2 . PHE A 1 19 ? 3.060 -5.367 -3.324 1.00 0.00 ? 19 PHE A HB2 11 ATOM 5837 H HB3 . PHE A 1 19 ? 2.116 -6.594 -2.453 1.00 0.00 ? 19 PHE A HB3 11 ATOM 5838 H HD1 . PHE A 1 19 ? 3.226 -5.574 -5.846 1.00 0.00 ? 19 PHE A HD1 11 ATOM 5839 H HD2 . PHE A 1 19 ? 1.898 -8.822 -3.351 1.00 0.00 ? 19 PHE A HD2 11 ATOM 5840 H HE1 . PHE A 1 19 ? 3.649 -7.132 -7.689 1.00 0.00 ? 19 PHE A HE1 11 ATOM 5841 H HE2 . PHE A 1 19 ? 2.405 -10.426 -5.184 1.00 0.00 ? 19 PHE A HE2 11 ATOM 5842 H HZ . PHE A 1 19 ? 3.273 -9.597 -7.364 1.00 0.00 ? 19 PHE A HZ 11 ATOM 5843 N N . ASN A 1 20 ? -0.559 -6.450 -5.245 1.00 0.00 ? 20 ASN A N 11 ATOM 5844 C CA . ASN A 1 20 ? -1.638 -7.332 -5.666 1.00 0.00 ? 20 ASN A CA 11 ATOM 5845 C C . ASN A 1 20 ? -1.083 -8.699 -6.102 1.00 0.00 ? 20 ASN A C 11 ATOM 5846 O O . ASN A 1 20 ? -0.408 -8.800 -7.127 1.00 0.00 ? 20 ASN A O 11 ATOM 5847 C CB . ASN A 1 20 ? -2.439 -6.631 -6.769 1.00 0.00 ? 20 ASN A CB 11 ATOM 5848 C CG . ASN A 1 20 ? -3.770 -7.324 -6.973 1.00 0.00 ? 20 ASN A CG 11 ATOM 5849 O OD1 . ASN A 1 20 ? -3.837 -8.528 -7.160 1.00 0.00 ? 20 ASN A OD1 11 ATOM 5850 N ND2 . ASN A 1 20 ? -4.859 -6.597 -6.946 1.00 0.00 ? 20 ASN A ND2 11 ATOM 5851 H H . ASN A 1 20 ? -0.014 -5.991 -5.968 1.00 0.00 ? 20 ASN A H 11 ATOM 5852 H HA . ASN A 1 20 ? -2.310 -7.488 -4.827 1.00 0.00 ? 20 ASN A HA 11 ATOM 5853 H HB2 . ASN A 1 20 ? -2.619 -5.596 -6.479 1.00 0.00 ? 20 ASN A HB2 11 ATOM 5854 H HB3 . ASN A 1 20 ? -1.879 -6.641 -7.704 1.00 0.00 ? 20 ASN A HB3 11 ATOM 5855 H HD21 . ASN A 1 20 ? -4.799 -5.615 -6.710 1.00 0.00 ? 20 ASN A HD21 11 ATOM 5856 H HD22 . ASN A 1 20 ? -5.756 -7.067 -6.939 1.00 0.00 ? 20 ASN A HD22 11 ATOM 5857 N N . HIS A 1 21 ? -1.384 -9.766 -5.354 1.00 0.00 ? 21 HIS A N 11 ATOM 5858 C CA . HIS A 1 21 ? -0.863 -11.113 -5.647 1.00 0.00 ? 21 HIS A CA 11 ATOM 5859 C C . HIS A 1 21 ? -1.562 -11.799 -6.839 1.00 0.00 ? 21 HIS A C 11 ATOM 5860 O O . HIS A 1 21 ? -1.014 -12.740 -7.419 1.00 0.00 ? 21 HIS A O 11 ATOM 5861 C CB . HIS A 1 21 ? -0.893 -11.970 -4.368 1.00 0.00 ? 21 HIS A CB 11 ATOM 5862 C CG . HIS A 1 21 ? -2.163 -12.754 -4.122 1.00 0.00 ? 21 HIS A CG 11 ATOM 5863 N ND1 . HIS A 1 21 ? -2.359 -14.095 -4.471 1.00 0.00 ? 21 HIS A ND1 11 ATOM 5864 C CD2 . HIS A 1 21 ? -3.283 -12.301 -3.487 1.00 0.00 ? 21 HIS A CD2 11 ATOM 5865 C CE1 . HIS A 1 21 ? -3.588 -14.418 -4.030 1.00 0.00 ? 21 HIS A CE1 11 ATOM 5866 N NE2 . HIS A 1 21 ? -4.164 -13.359 -3.435 1.00 0.00 ? 21 HIS A NE2 11 ATOM 5867 H H . HIS A 1 21 ? -1.988 -9.635 -4.550 1.00 0.00 ? 21 HIS A H 11 ATOM 5868 H HA . HIS A 1 21 ? 0.183 -11.006 -5.936 1.00 0.00 ? 21 HIS A HA 11 ATOM 5869 H HB2 . HIS A 1 21 ? -0.078 -12.695 -4.444 1.00 0.00 ? 21 HIS A HB2 11 ATOM 5870 H HB3 . HIS A 1 21 ? -0.690 -11.337 -3.499 1.00 0.00 ? 21 HIS A HB3 11 ATOM 5871 H HD2 . HIS A 1 21 ? -3.441 -11.308 -3.092 1.00 0.00 ? 21 HIS A HD2 11 ATOM 5872 H HE1 . HIS A 1 21 ? -4.051 -15.393 -4.138 1.00 0.00 ? 21 HIS A HE1 11 ATOM 5873 H HE2 . HIS A 1 21 ? -5.089 -13.357 -3.014 1.00 0.00 ? 21 HIS A HE2 11 ATOM 5874 N N . ILE A 1 22 ? -2.747 -11.316 -7.230 1.00 0.00 ? 22 ILE A N 11 ATOM 5875 C CA . ILE A 1 22 ? -3.559 -11.827 -8.346 1.00 0.00 ? 22 ILE A CA 11 ATOM 5876 C C . ILE A 1 22 ? -3.110 -11.209 -9.682 1.00 0.00 ? 22 ILE A C 11 ATOM 5877 O O . ILE A 1 22 ? -3.040 -11.903 -10.700 1.00 0.00 ? 22 ILE A O 11 ATOM 5878 C CB . ILE A 1 22 ? -5.051 -11.514 -8.065 1.00 0.00 ? 22 ILE A CB 11 ATOM 5879 C CG1 . ILE A 1 22 ? -5.537 -12.078 -6.704 1.00 0.00 ? 22 ILE A CG1 11 ATOM 5880 C CG2 . ILE A 1 22 ? -5.963 -11.982 -9.211 1.00 0.00 ? 22 ILE A CG2 11 ATOM 5881 C CD1 . ILE A 1 22 ? -5.681 -13.601 -6.634 1.00 0.00 ? 22 ILE A CD1 11 ATOM 5882 H H . ILE A 1 22 ? -3.114 -10.517 -6.730 1.00 0.00 ? 22 ILE A H 11 ATOM 5883 H HA . ILE A 1 22 ? -3.436 -12.907 -8.419 1.00 0.00 ? 22 ILE A HA 11 ATOM 5884 H HB . ILE A 1 22 ? -5.160 -10.429 -8.018 1.00 0.00 ? 22 ILE A HB 11 ATOM 5885 H HG12 . ILE A 1 22 ? -4.849 -11.773 -5.914 1.00 0.00 ? 22 ILE A HG12 11 ATOM 5886 H HG13 . ILE A 1 22 ? -6.507 -11.637 -6.464 1.00 0.00 ? 22 ILE A HG13 11 ATOM 5887 H HG21 . ILE A 1 22 ? -5.787 -13.035 -9.431 1.00 0.00 ? 22 ILE A HG21 11 ATOM 5888 H HG22 . ILE A 1 22 ? -7.007 -11.839 -8.933 1.00 0.00 ? 22 ILE A HG22 11 ATOM 5889 H HG23 . ILE A 1 22 ? -5.768 -11.395 -10.108 1.00 0.00 ? 22 ILE A HG23 11 ATOM 5890 H HD11 . ILE A 1 22 ? -6.429 -13.947 -7.346 1.00 0.00 ? 22 ILE A HD11 11 ATOM 5891 H HD12 . ILE A 1 22 ? -4.723 -14.078 -6.840 1.00 0.00 ? 22 ILE A HD12 11 ATOM 5892 H HD13 . ILE A 1 22 ? -6.010 -13.873 -5.632 1.00 0.00 ? 22 ILE A HD13 11 ATOM 5893 N N . THR A 1 23 ? -2.789 -9.911 -9.676 1.00 0.00 ? 23 THR A N 11 ATOM 5894 C CA . THR A 1 23 ? -2.491 -9.087 -10.869 1.00 0.00 ? 23 THR A CA 11 ATOM 5895 C C . THR A 1 23 ? -1.040 -8.623 -11.033 1.00 0.00 ? 23 THR A C 11 ATOM 5896 O O . THR A 1 23 ? -0.678 -8.086 -12.082 1.00 0.00 ? 23 THR A O 11 ATOM 5897 C CB . THR A 1 23 ? -3.458 -7.895 -10.978 1.00 0.00 ? 23 THR A CB 11 ATOM 5898 O OG1 . THR A 1 23 ? -3.048 -6.875 -10.097 1.00 0.00 ? 23 THR A OG1 11 ATOM 5899 C CG2 . THR A 1 23 ? -4.912 -8.205 -10.630 1.00 0.00 ? 23 THR A CG2 11 ATOM 5900 H H . THR A 1 23 ? -2.912 -9.418 -8.798 1.00 0.00 ? 23 THR A H 11 ATOM 5901 H HA . THR A 1 23 ? -2.689 -9.700 -11.747 1.00 0.00 ? 23 THR A HA 11 ATOM 5902 H HB . THR A 1 23 ? -3.420 -7.508 -11.997 1.00 0.00 ? 23 THR A HB 11 ATOM 5903 H HG1 . THR A 1 23 ? -3.860 -6.449 -9.796 1.00 0.00 ? 23 THR A HG1 11 ATOM 5904 H HG21 . THR A 1 23 ? -5.254 -9.051 -11.227 1.00 0.00 ? 23 THR A HG21 11 ATOM 5905 H HG22 . THR A 1 23 ? -5.014 -8.442 -9.572 1.00 0.00 ? 23 THR A HG22 11 ATOM 5906 H HG23 . THR A 1 23 ? -5.531 -7.339 -10.863 1.00 0.00 ? 23 THR A HG23 11 ATOM 5907 N N . ASN A 1 24 ? -0.203 -8.829 -10.011 1.00 0.00 ? 24 ASN A N 11 ATOM 5908 C CA . ASN A 1 24 ? 1.175 -8.330 -9.887 1.00 0.00 ? 24 ASN A CA 11 ATOM 5909 C C . ASN A 1 24 ? 1.321 -6.789 -9.888 1.00 0.00 ? 24 ASN A C 11 ATOM 5910 O O . ASN A 1 24 ? 2.437 -6.276 -10.020 1.00 0.00 ? 24 ASN A O 11 ATOM 5911 C CB . ASN A 1 24 ? 2.115 -9.062 -10.869 1.00 0.00 ? 24 ASN A CB 11 ATOM 5912 C CG . ASN A 1 24 ? 2.110 -10.570 -10.669 1.00 0.00 ? 24 ASN A CG 11 ATOM 5913 O OD1 . ASN A 1 24 ? 2.482 -11.085 -9.623 1.00 0.00 ? 24 ASN A OD1 11 ATOM 5914 N ND2 . ASN A 1 24 ? 1.734 -11.330 -11.674 1.00 0.00 ? 24 ASN A ND2 11 ATOM 5915 H H . ASN A 1 24 ? -0.591 -9.257 -9.179 1.00 0.00 ? 24 ASN A H 11 ATOM 5916 H HA . ASN A 1 24 ? 1.500 -8.620 -8.887 1.00 0.00 ? 24 ASN A HA 11 ATOM 5917 H HB2 . ASN A 1 24 ? 1.834 -8.822 -11.895 1.00 0.00 ? 24 ASN A HB2 11 ATOM 5918 H HB3 . ASN A 1 24 ? 3.139 -8.721 -10.705 1.00 0.00 ? 24 ASN A HB3 11 ATOM 5919 H HD21 . ASN A 1 24 ? 1.439 -10.908 -12.544 1.00 0.00 ? 24 ASN A HD21 11 ATOM 5920 H HD22 . ASN A 1 24 ? 1.745 -12.333 -11.546 1.00 0.00 ? 24 ASN A HD22 11 ATOM 5921 N N . ALA A 1 25 ? 0.225 -6.035 -9.726 1.00 0.00 ? 25 ALA A N 11 ATOM 5922 C CA . ALA A 1 25 ? 0.264 -4.580 -9.545 1.00 0.00 ? 25 ALA A CA 11 ATOM 5923 C C . ALA A 1 25 ? 0.877 -4.165 -8.185 1.00 0.00 ? 25 ALA A C 11 ATOM 5924 O O . ALA A 1 25 ? 0.839 -4.925 -7.215 1.00 0.00 ? 25 ALA A O 11 ATOM 5925 C CB . ALA A 1 25 ? -1.157 -4.029 -9.716 1.00 0.00 ? 25 ALA A CB 11 ATOM 5926 H H . ALA A 1 25 ? -0.674 -6.495 -9.660 1.00 0.00 ? 25 ALA A H 11 ATOM 5927 H HA . ALA A 1 25 ? 0.886 -4.150 -10.332 1.00 0.00 ? 25 ALA A HA 11 ATOM 5928 H HB1 . ALA A 1 25 ? -1.806 -4.417 -8.930 1.00 0.00 ? 25 ALA A HB1 11 ATOM 5929 H HB2 . ALA A 1 25 ? -1.142 -2.941 -9.658 1.00 0.00 ? 25 ALA A HB2 11 ATOM 5930 H HB3 . ALA A 1 25 ? -1.554 -4.323 -10.689 1.00 0.00 ? 25 ALA A HB3 11 ATOM 5931 N N . SER A 1 26 ? 1.405 -2.941 -8.096 1.00 0.00 ? 26 SER A N 11 ATOM 5932 C CA . SER A 1 26 ? 1.967 -2.348 -6.866 1.00 0.00 ? 26 SER A CA 11 ATOM 5933 C C . SER A 1 26 ? 1.646 -0.853 -6.735 1.00 0.00 ? 26 SER A C 11 ATOM 5934 O O . SER A 1 26 ? 1.607 -0.139 -7.740 1.00 0.00 ? 26 SER A O 11 ATOM 5935 C CB . SER A 1 26 ? 3.486 -2.560 -6.771 1.00 0.00 ? 26 SER A CB 11 ATOM 5936 O OG . SER A 1 26 ? 4.168 -2.106 -7.934 1.00 0.00 ? 26 SER A OG 11 ATOM 5937 H H . SER A 1 26 ? 1.406 -2.362 -8.924 1.00 0.00 ? 26 SER A H 11 ATOM 5938 H HA . SER A 1 26 ? 1.530 -2.865 -6.014 1.00 0.00 ? 26 SER A HA 11 ATOM 5939 H HB2 . SER A 1 26 ? 3.867 -2.028 -5.897 1.00 0.00 ? 26 SER A HB2 11 ATOM 5940 H HB3 . SER A 1 26 ? 3.694 -3.617 -6.623 1.00 0.00 ? 26 SER A HB3 11 ATOM 5941 H HG . SER A 1 26 ? 3.991 -1.160 -8.043 1.00 0.00 ? 26 SER A HG 11 ATOM 5942 N N . GLN A 1 27 ? 1.468 -0.365 -5.503 1.00 0.00 ? 27 GLN A N 11 ATOM 5943 C CA . GLN A 1 27 ? 1.224 1.051 -5.187 1.00 0.00 ? 27 GLN A CA 11 ATOM 5944 C C . GLN A 1 27 ? 1.847 1.504 -3.860 1.00 0.00 ? 27 GLN A C 11 ATOM 5945 O O . GLN A 1 27 ? 1.794 0.787 -2.862 1.00 0.00 ? 27 GLN A O 11 ATOM 5946 C CB . GLN A 1 27 ? -0.286 1.349 -5.108 1.00 0.00 ? 27 GLN A CB 11 ATOM 5947 C CG . GLN A 1 27 ? -0.989 1.441 -6.466 1.00 0.00 ? 27 GLN A CG 11 ATOM 5948 C CD . GLN A 1 27 ? -2.454 1.889 -6.398 1.00 0.00 ? 27 GLN A CD 11 ATOM 5949 O OE1 . GLN A 1 27 ? -3.179 1.833 -7.384 1.00 0.00 ? 27 GLN A OE1 11 ATOM 5950 N NE2 . GLN A 1 27 ? -2.948 2.428 -5.300 1.00 0.00 ? 27 GLN A NE2 11 ATOM 5951 H H . GLN A 1 27 ? 1.525 -1.011 -4.721 1.00 0.00 ? 27 GLN A H 11 ATOM 5952 H HA . GLN A 1 27 ? 1.656 1.671 -5.974 1.00 0.00 ? 27 GLN A HA 11 ATOM 5953 H HB2 . GLN A 1 27 ? -0.778 0.600 -4.485 1.00 0.00 ? 27 GLN A HB2 11 ATOM 5954 H HB3 . GLN A 1 27 ? -0.394 2.322 -4.628 1.00 0.00 ? 27 GLN A HB3 11 ATOM 5955 H HG2 . GLN A 1 27 ? -0.449 2.169 -7.072 1.00 0.00 ? 27 GLN A HG2 11 ATOM 5956 H HG3 . GLN A 1 27 ? -0.950 0.470 -6.956 1.00 0.00 ? 27 GLN A HG3 11 ATOM 5957 H HE21 . GLN A 1 27 ? -3.891 2.784 -5.335 1.00 0.00 ? 27 GLN A HE21 11 ATOM 5958 H HE22 . GLN A 1 27 ? -2.397 2.477 -4.444 1.00 0.00 ? 27 GLN A HE22 11 ATOM 5959 N N . PHE A 1 28 ? 2.371 2.732 -3.831 1.00 0.00 ? 28 PHE A N 11 ATOM 5960 C CA . PHE A 1 28 ? 2.798 3.403 -2.595 1.00 0.00 ? 28 PHE A CA 11 ATOM 5961 C C . PHE A 1 28 ? 1.656 3.991 -1.743 1.00 0.00 ? 28 PHE A C 11 ATOM 5962 O O . PHE A 1 28 ? 1.818 4.244 -0.548 1.00 0.00 ? 28 PHE A O 11 ATOM 5963 C CB . PHE A 1 28 ? 3.918 4.414 -2.877 1.00 0.00 ? 28 PHE A CB 11 ATOM 5964 C CG . PHE A 1 28 ? 5.281 3.786 -3.117 1.00 0.00 ? 28 PHE A CG 11 ATOM 5965 C CD1 . PHE A 1 28 ? 6.139 3.521 -2.032 1.00 0.00 ? 28 PHE A CD1 11 ATOM 5966 C CD2 . PHE A 1 28 ? 5.698 3.479 -4.428 1.00 0.00 ? 28 PHE A CD2 11 ATOM 5967 C CE1 . PHE A 1 28 ? 7.412 2.966 -2.259 1.00 0.00 ? 28 PHE A CE1 11 ATOM 5968 C CE2 . PHE A 1 28 ? 6.968 2.916 -4.652 1.00 0.00 ? 28 PHE A CE2 11 ATOM 5969 C CZ . PHE A 1 28 ? 7.826 2.662 -3.568 1.00 0.00 ? 28 PHE A CZ 11 ATOM 5970 H H . PHE A 1 28 ? 2.410 3.260 -4.692 1.00 0.00 ? 28 PHE A H 11 ATOM 5971 H HA . PHE A 1 28 ? 3.244 2.643 -1.953 1.00 0.00 ? 28 PHE A HA 11 ATOM 5972 H HB2 . PHE A 1 28 ? 3.641 5.030 -3.737 1.00 0.00 ? 28 PHE A HB2 11 ATOM 5973 H HB3 . PHE A 1 28 ? 4.014 5.076 -2.012 1.00 0.00 ? 28 PHE A HB3 11 ATOM 5974 H HD1 . PHE A 1 28 ? 5.824 3.750 -1.022 1.00 0.00 ? 28 PHE A HD1 11 ATOM 5975 H HD2 . PHE A 1 28 ? 5.044 3.680 -5.266 1.00 0.00 ? 28 PHE A HD2 11 ATOM 5976 H HE1 . PHE A 1 28 ? 8.073 2.773 -1.426 1.00 0.00 ? 28 PHE A HE1 11 ATOM 5977 H HE2 . PHE A 1 28 ? 7.285 2.681 -5.660 1.00 0.00 ? 28 PHE A HE2 11 ATOM 5978 H HZ . PHE A 1 28 ? 8.805 2.233 -3.741 1.00 0.00 ? 28 PHE A HZ 11 ATOM 5979 N N . GLU A 1 29 ? 0.489 4.192 -2.369 1.00 0.00 ? 29 GLU A N 11 ATOM 5980 C CA . GLU A 1 29 ? -0.757 4.682 -1.762 1.00 0.00 ? 29 GLU A CA 11 ATOM 5981 C C . GLU A 1 29 ? -1.831 3.582 -1.687 1.00 0.00 ? 29 GLU A C 11 ATOM 5982 O O . GLU A 1 29 ? -1.902 2.707 -2.558 1.00 0.00 ? 29 GLU A O 11 ATOM 5983 C CB . GLU A 1 29 ? -1.227 5.937 -2.530 1.00 0.00 ? 29 GLU A CB 11 ATOM 5984 C CG . GLU A 1 29 ? -2.656 6.461 -2.282 1.00 0.00 ? 29 GLU A CG 11 ATOM 5985 C CD . GLU A 1 29 ? -2.986 6.887 -0.834 1.00 0.00 ? 29 GLU A CD 11 ATOM 5986 O OE1 . GLU A 1 29 ? -3.986 7.622 -0.644 1.00 0.00 ? 29 GLU A OE1 11 ATOM 5987 O OE2 . GLU A 1 29 ? -2.282 6.487 0.123 1.00 0.00 ? 29 GLU A OE2 11 ATOM 5988 H H . GLU A 1 29 ? 0.441 3.926 -3.342 1.00 0.00 ? 29 GLU A H 11 ATOM 5989 H HA . GLU A 1 29 ? -0.546 4.984 -0.736 1.00 0.00 ? 29 GLU A HA 11 ATOM 5990 H HB2 . GLU A 1 29 ? -0.524 6.745 -2.323 1.00 0.00 ? 29 GLU A HB2 11 ATOM 5991 H HB3 . GLU A 1 29 ? -1.157 5.718 -3.597 1.00 0.00 ? 29 GLU A HB3 11 ATOM 5992 H HG2 . GLU A 1 29 ? -2.805 7.319 -2.942 1.00 0.00 ? 29 GLU A HG2 11 ATOM 5993 H HG3 . GLU A 1 29 ? -3.367 5.694 -2.597 1.00 0.00 ? 29 GLU A HG3 11 ATOM 5994 N N . ARG A 1 30 ? -2.682 3.635 -0.654 1.00 0.00 ? 30 ARG A N 11 ATOM 5995 C CA . ARG A 1 30 ? -3.716 2.631 -0.352 1.00 0.00 ? 30 ARG A CA 11 ATOM 5996 C C . ARG A 1 30 ? -4.687 2.421 -1.542 1.00 0.00 ? 30 ARG A C 11 ATOM 5997 O O . ARG A 1 30 ? -5.307 3.393 -1.988 1.00 0.00 ? 30 ARG A O 11 ATOM 5998 C CB . ARG A 1 30 ? -4.388 3.023 0.980 1.00 0.00 ? 30 ARG A CB 11 ATOM 5999 C CG . ARG A 1 30 ? -5.508 2.075 1.435 1.00 0.00 ? 30 ARG A CG 11 ATOM 6000 C CD . ARG A 1 30 ? -6.896 2.560 0.986 1.00 0.00 ? 30 ARG A CD 11 ATOM 6001 N NE . ARG A 1 30 ? -7.737 1.455 0.504 1.00 0.00 ? 30 ARG A NE 11 ATOM 6002 C CZ . ARG A 1 30 ? -8.404 0.562 1.204 1.00 0.00 ? 30 ARG A CZ 11 ATOM 6003 N NH1 . ARG A 1 30 ? -8.377 0.501 2.504 1.00 0.00 ? 30 ARG A NH1 11 ATOM 6004 N NH2 . ARG A 1 30 ? -9.124 -0.324 0.589 1.00 0.00 ? 30 ARG A NH2 11 ATOM 6005 H H . ARG A 1 30 ? -2.585 4.424 -0.022 1.00 0.00 ? 30 ARG A H 11 ATOM 6006 H HA . ARG A 1 30 ? -3.195 1.695 -0.169 1.00 0.00 ? 30 ARG A HA 11 ATOM 6007 H HB2 . ARG A 1 30 ? -3.615 3.018 1.751 1.00 0.00 ? 30 ARG A HB2 11 ATOM 6008 H HB3 . ARG A 1 30 ? -4.772 4.044 0.917 1.00 0.00 ? 30 ARG A HB3 11 ATOM 6009 H HG2 . ARG A 1 30 ? -5.309 1.072 1.053 1.00 0.00 ? 30 ARG A HG2 11 ATOM 6010 H HG3 . ARG A 1 30 ? -5.507 2.031 2.526 1.00 0.00 ? 30 ARG A HG3 11 ATOM 6011 H HD2 . ARG A 1 30 ? -7.384 3.079 1.813 1.00 0.00 ? 30 ARG A HD2 11 ATOM 6012 H HD3 . ARG A 1 30 ? -6.789 3.277 0.172 1.00 0.00 ? 30 ARG A HD3 11 ATOM 6013 H HE . ARG A 1 30 ? -7.776 1.323 -0.500 1.00 0.00 ? 30 ARG A HE 11 ATOM 6014 H HH11 . ARG A 1 30 ? -7.838 1.171 3.025 1.00 0.00 ? 30 ARG A HH11 11 ATOM 6015 H HH12 . ARG A 1 30 ? -8.866 -0.252 2.967 1.00 0.00 ? 30 ARG A HH12 11 ATOM 6016 H HH21 . ARG A 1 30 ? -9.188 -0.297 -0.418 1.00 0.00 ? 30 ARG A HH21 11 ATOM 6017 H HH22 . ARG A 1 30 ? -9.619 -1.013 1.138 1.00 0.00 ? 30 ARG A HH22 11 ATOM 6018 N N . PRO A 1 31 ? -4.824 1.191 -2.081 1.00 0.00 ? 31 PRO A N 11 ATOM 6019 C CA . PRO A 1 31 ? -5.540 0.911 -3.333 1.00 0.00 ? 31 PRO A CA 11 ATOM 6020 C C . PRO A 1 31 ? -7.071 0.917 -3.203 1.00 0.00 ? 31 PRO A C 11 ATOM 6021 O O . PRO A 1 31 ? -7.626 0.588 -2.153 1.00 0.00 ? 31 PRO A O 11 ATOM 6022 C CB . PRO A 1 31 ? -5.021 -0.457 -3.796 1.00 0.00 ? 31 PRO A CB 11 ATOM 6023 C CG . PRO A 1 31 ? -4.704 -1.154 -2.477 1.00 0.00 ? 31 PRO A CG 11 ATOM 6024 C CD . PRO A 1 31 ? -4.157 -0.019 -1.623 1.00 0.00 ? 31 PRO A CD 11 ATOM 6025 H HA . PRO A 1 31 ? -5.264 1.657 -4.079 1.00 0.00 ? 31 PRO A HA 11 ATOM 6026 H HB2 . PRO A 1 31 ? -5.759 -1.010 -4.380 1.00 0.00 ? 31 PRO A HB2 11 ATOM 6027 H HB3 . PRO A 1 31 ? -4.101 -0.326 -4.368 1.00 0.00 ? 31 PRO A HB3 11 ATOM 6028 H HG2 . PRO A 1 31 ? -5.621 -1.538 -2.034 1.00 0.00 ? 31 PRO A HG2 11 ATOM 6029 H HG3 . PRO A 1 31 ? -3.965 -1.946 -2.593 1.00 0.00 ? 31 PRO A HG3 11 ATOM 6030 H HD2 . PRO A 1 31 ? -4.354 -0.215 -0.570 1.00 0.00 ? 31 PRO A HD2 11 ATOM 6031 H HD3 . PRO A 1 31 ? -3.087 0.082 -1.799 1.00 0.00 ? 31 PRO A HD3 11 ATOM 6032 N N . SER A 1 32 ? -7.759 1.244 -4.303 1.00 0.00 ? 32 SER A N 11 ATOM 6033 C CA . SER A 1 32 ? -9.236 1.272 -4.401 1.00 0.00 ? 32 SER A CA 11 ATOM 6034 C C . SER A 1 32 ? -9.834 0.300 -5.438 1.00 0.00 ? 32 SER A C 11 ATOM 6035 O O . SER A 1 32 ? -11.059 0.177 -5.526 1.00 0.00 ? 32 SER A O 11 ATOM 6036 C CB . SER A 1 32 ? -9.711 2.705 -4.675 1.00 0.00 ? 32 SER A CB 11 ATOM 6037 O OG . SER A 1 32 ? -9.410 3.553 -3.577 1.00 0.00 ? 32 SER A OG 11 ATOM 6038 H H . SER A 1 32 ? -7.231 1.523 -5.119 1.00 0.00 ? 32 SER A H 11 ATOM 6039 H HA . SER A 1 32 ? -9.662 0.975 -3.442 1.00 0.00 ? 32 SER A HA 11 ATOM 6040 H HB2 . SER A 1 32 ? -9.237 3.084 -5.582 1.00 0.00 ? 32 SER A HB2 11 ATOM 6041 H HB3 . SER A 1 32 ? -10.793 2.705 -4.823 1.00 0.00 ? 32 SER A HB3 11 ATOM 6042 H HG . SER A 1 32 ? -8.446 3.591 -3.490 1.00 0.00 ? 32 SER A HG 11 ATOM 6043 N N . GLY A 1 33 ? -8.996 -0.404 -6.214 1.00 0.00 ? 33 GLY A N 11 ATOM 6044 C CA . GLY A 1 33 ? -9.408 -1.385 -7.235 1.00 0.00 ? 33 GLY A CA 11 ATOM 6045 C C . GLY A 1 33 ? -8.251 -1.850 -8.116 1.00 0.00 ? 33 GLY A C 11 ATOM 6046 O O . GLY A 1 33 ? -7.974 -1.173 -9.131 1.00 0.00 ? 33 GLY A O 11 ATOM 6047 O OXT . GLY A 1 33 ? -7.633 -2.884 -7.782 1.00 0.00 ? 33 GLY A OXT 11 ATOM 6048 H H . GLY A 1 33 ? -8.005 -0.266 -6.079 1.00 0.00 ? 33 GLY A H 11 ATOM 6049 H HA2 . GLY A 1 33 ? -9.838 -2.260 -6.750 1.00 0.00 ? 33 GLY A HA2 11 ATOM 6050 H HA3 . GLY A 1 33 ? -10.169 -0.947 -7.881 1.00 0.00 ? 33 GLY A HA3 11 HETATM 6051 C C1 . GAL B 2 . ? 13.046 2.318 0.360 1.00 0.00 ? 101 GAL A C1 11 HETATM 6052 C C2 . GAL B 2 . ? 12.818 3.744 -0.190 1.00 0.00 ? 101 GAL A C2 11 HETATM 6053 C C3 . GAL B 2 . ? 11.837 3.645 -1.375 1.00 0.00 ? 101 GAL A C3 11 HETATM 6054 C C4 . GAL B 2 . ? 12.368 2.692 -2.463 1.00 0.00 ? 101 GAL A C4 11 HETATM 6055 C C5 . GAL B 2 . ? 12.749 1.315 -1.880 1.00 0.00 ? 101 GAL A C5 11 HETATM 6056 C C6 . GAL B 2 . ? 13.444 0.382 -2.886 1.00 0.00 ? 101 GAL A C6 11 HETATM 6057 O O2 . GAL B 2 . ? 12.275 4.639 0.827 1.00 0.00 ? 101 GAL A O2 11 HETATM 6058 O O3 . GAL B 2 . ? 11.636 4.959 -1.965 1.00 0.00 ? 101 GAL A O3 11 HETATM 6059 O O4 . GAL B 2 . ? 13.533 3.304 -3.068 1.00 0.00 ? 101 GAL A O4 11 HETATM 6060 O O5 . GAL B 2 . ? 13.627 1.483 -0.692 1.00 0.00 ? 101 GAL A O5 11 HETATM 6061 O O6 . GAL B 2 . ? 13.981 -0.744 -2.168 1.00 0.00 ? 101 GAL A O6 11 HETATM 6062 H H1 . GAL B 2 . ? 12.096 1.883 0.668 1.00 0.00 ? 101 GAL A H1 11 HETATM 6063 H H2 . GAL B 2 . ? 13.768 4.156 -0.533 1.00 0.00 ? 101 GAL A H2 11 HETATM 6064 H H3 . GAL B 2 . ? 10.876 3.273 -1.017 1.00 0.00 ? 101 GAL A H3 11 HETATM 6065 H H4 . GAL B 2 . ? 11.606 2.560 -3.232 1.00 0.00 ? 101 GAL A H4 11 HETATM 6066 H H5 . GAL B 2 . ? 11.832 0.829 -1.548 1.00 0.00 ? 101 GAL A H5 11 HETATM 6067 H H61 . GAL B 2 . ? 12.733 0.036 -3.641 1.00 0.00 ? 101 GAL A H61 11 HETATM 6068 H H62 . GAL B 2 . ? 14.268 0.896 -3.384 1.00 0.00 ? 101 GAL A H62 11 HETATM 6069 H HO2 . GAL B 2 . ? 11.661 4.150 1.410 1.00 0.00 ? 101 GAL A HO2 11 HETATM 6070 H HO3 . GAL B 2 . ? 11.441 5.577 -1.243 1.00 0.00 ? 101 GAL A HO3 11 HETATM 6071 H HO4 . GAL B 2 . ? 13.288 4.220 -3.283 1.00 0.00 ? 101 GAL A HO4 11 HETATM 6072 H HO6 . GAL B 2 . ? 14.355 -0.382 -1.352 1.00 0.00 ? 101 GAL A HO6 11 ATOM 6073 N N . LYS A 1 1 ? -11.249 -4.306 4.011 1.00 0.00 ? 1 LYS A N 12 ATOM 6074 C CA . LYS A 1 1 ? -10.137 -3.315 3.969 1.00 0.00 ? 1 LYS A CA 12 ATOM 6075 C C . LYS A 1 1 ? -9.698 -2.954 2.543 1.00 0.00 ? 1 LYS A C 12 ATOM 6076 O O . LYS A 1 1 ? -9.699 -1.772 2.190 1.00 0.00 ? 1 LYS A O 12 ATOM 6077 C CB . LYS A 1 1 ? -8.941 -3.696 4.880 1.00 0.00 ? 1 LYS A CB 12 ATOM 6078 C CG . LYS A 1 1 ? -8.289 -5.071 4.626 1.00 0.00 ? 1 LYS A CG 12 ATOM 6079 C CD . LYS A 1 1 ? -6.991 -5.242 5.428 1.00 0.00 ? 1 LYS A CD 12 ATOM 6080 C CE . LYS A 1 1 ? -6.318 -6.558 5.022 1.00 0.00 ? 1 LYS A CE 12 ATOM 6081 N NZ . LYS A 1 1 ? -5.002 -6.738 5.681 1.00 0.00 ? 1 LYS A NZ 12 ATOM 6082 H H1 . LYS A 1 1 ? -10.956 -5.209 3.666 1.00 0.00 ? 1 LYS A H1 12 ATOM 6083 H H2 . LYS A 1 1 ? -12.030 -3.989 3.455 1.00 0.00 ? 1 LYS A H2 12 ATOM 6084 H H3 . LYS A 1 1 ? -11.573 -4.424 4.960 1.00 0.00 ? 1 LYS A H3 12 ATOM 6085 H HA . LYS A 1 1 ? -10.534 -2.383 4.372 1.00 0.00 ? 1 LYS A HA 12 ATOM 6086 H HB2 . LYS A 1 1 ? -8.179 -2.922 4.772 1.00 0.00 ? 1 LYS A HB2 12 ATOM 6087 H HB3 . LYS A 1 1 ? -9.279 -3.669 5.918 1.00 0.00 ? 1 LYS A HB3 12 ATOM 6088 H HG2 . LYS A 1 1 ? -8.986 -5.864 4.899 1.00 0.00 ? 1 LYS A HG2 12 ATOM 6089 H HG3 . LYS A 1 1 ? -8.038 -5.176 3.573 1.00 0.00 ? 1 LYS A HG3 12 ATOM 6090 H HD2 . LYS A 1 1 ? -6.316 -4.411 5.208 1.00 0.00 ? 1 LYS A HD2 12 ATOM 6091 H HD3 . LYS A 1 1 ? -7.215 -5.250 6.497 1.00 0.00 ? 1 LYS A HD3 12 ATOM 6092 H HE2 . LYS A 1 1 ? -6.978 -7.393 5.279 1.00 0.00 ? 1 LYS A HE2 12 ATOM 6093 H HE3 . LYS A 1 1 ? -6.181 -6.561 3.938 1.00 0.00 ? 1 LYS A HE3 12 ATOM 6094 H HZ1 . LYS A 1 1 ? -4.544 -7.573 5.314 1.00 0.00 ? 1 LYS A HZ1 12 ATOM 6095 H HZ2 . LYS A 1 1 ? -4.377 -5.970 5.477 1.00 0.00 ? 1 LYS A HZ2 12 ATOM 6096 H HZ3 . LYS A 1 1 ? -5.089 -6.833 6.682 1.00 0.00 ? 1 LYS A HZ3 12 ATOM 6097 N N . LEU A 1 2 ? -9.299 -3.934 1.721 1.00 0.00 ? 2 LEU A N 12 ATOM 6098 C CA . LEU A 1 2 ? -8.656 -3.748 0.409 1.00 0.00 ? 2 LEU A CA 12 ATOM 6099 C C . LEU A 1 2 ? -9.400 -4.512 -0.716 1.00 0.00 ? 2 LEU A C 12 ATOM 6100 O O . LEU A 1 2 ? -10.154 -5.445 -0.411 1.00 0.00 ? 2 LEU A O 12 ATOM 6101 C CB . LEU A 1 2 ? -7.183 -4.202 0.510 1.00 0.00 ? 2 LEU A CB 12 ATOM 6102 C CG . LEU A 1 2 ? -6.300 -3.426 1.508 1.00 0.00 ? 2 LEU A CG 12 ATOM 6103 C CD1 . LEU A 1 2 ? -4.968 -4.149 1.687 1.00 0.00 ? 2 LEU A CD1 12 ATOM 6104 C CD2 . LEU A 1 2 ? -5.988 -2.016 1.014 1.00 0.00 ? 2 LEU A CD2 12 ATOM 6105 H H . LEU A 1 2 ? -9.373 -4.888 2.041 1.00 0.00 ? 2 LEU A H 12 ATOM 6106 H HA . LEU A 1 2 ? -8.673 -2.690 0.157 1.00 0.00 ? 2 LEU A HA 12 ATOM 6107 H HB2 . LEU A 1 2 ? -7.178 -5.259 0.790 1.00 0.00 ? 2 LEU A HB2 12 ATOM 6108 H HB3 . LEU A 1 2 ? -6.723 -4.107 -0.472 1.00 0.00 ? 2 LEU A HB3 12 ATOM 6109 H HG . LEU A 1 2 ? -6.789 -3.364 2.479 1.00 0.00 ? 2 LEU A HG 12 ATOM 6110 H HD11 . LEU A 1 2 ? -5.147 -5.152 2.073 1.00 0.00 ? 2 LEU A HD11 12 ATOM 6111 H HD12 . LEU A 1 2 ? -4.454 -4.218 0.727 1.00 0.00 ? 2 LEU A HD12 12 ATOM 6112 H HD13 . LEU A 1 2 ? -4.342 -3.605 2.394 1.00 0.00 ? 2 LEU A HD13 12 ATOM 6113 H HD21 . LEU A 1 2 ? -6.908 -1.464 0.831 1.00 0.00 ? 2 LEU A HD21 12 ATOM 6114 H HD22 . LEU A 1 2 ? -5.411 -1.483 1.768 1.00 0.00 ? 2 LEU A HD22 12 ATOM 6115 H HD23 . LEU A 1 2 ? -5.405 -2.075 0.097 1.00 0.00 ? 2 LEU A HD23 12 ATOM 6116 N N . PRO A 1 3 ? -9.207 -4.155 -2.005 1.00 0.00 ? 3 PRO A N 12 ATOM 6117 C CA . PRO A 1 3 ? -9.830 -4.843 -3.143 1.00 0.00 ? 3 PRO A CA 12 ATOM 6118 C C . PRO A 1 3 ? -9.237 -6.252 -3.385 1.00 0.00 ? 3 PRO A C 12 ATOM 6119 O O . PRO A 1 3 ? -8.227 -6.610 -2.767 1.00 0.00 ? 3 PRO A O 12 ATOM 6120 C CB . PRO A 1 3 ? -9.637 -3.915 -4.356 1.00 0.00 ? 3 PRO A CB 12 ATOM 6121 C CG . PRO A 1 3 ? -9.120 -2.600 -3.777 1.00 0.00 ? 3 PRO A CG 12 ATOM 6122 C CD . PRO A 1 3 ? -8.419 -3.038 -2.501 1.00 0.00 ? 3 PRO A CD 12 ATOM 6123 H HA . PRO A 1 3 ? -10.898 -4.937 -2.942 1.00 0.00 ? 3 PRO A HA 12 ATOM 6124 H HB2 . PRO A 1 3 ? -8.893 -4.326 -5.040 1.00 0.00 ? 3 PRO A HB2 12 ATOM 6125 H HB3 . PRO A 1 3 ? -10.579 -3.759 -4.884 1.00 0.00 ? 3 PRO A HB3 12 ATOM 6126 H HG2 . PRO A 1 3 ? -8.428 -2.109 -4.459 1.00 0.00 ? 3 PRO A HG2 12 ATOM 6127 H HG3 . PRO A 1 3 ? -9.958 -1.947 -3.532 1.00 0.00 ? 3 PRO A HG3 12 ATOM 6128 H HD2 . PRO A 1 3 ? -7.414 -3.386 -2.738 1.00 0.00 ? 3 PRO A HD2 12 ATOM 6129 H HD3 . PRO A 1 3 ? -8.370 -2.207 -1.800 1.00 0.00 ? 3 PRO A HD3 12 ATOM 6130 N N . PRO A 1 4 ? -9.812 -7.063 -4.297 1.00 0.00 ? 4 PRO A N 12 ATOM 6131 C CA . PRO A 1 4 ? -9.361 -8.434 -4.559 1.00 0.00 ? 4 PRO A CA 12 ATOM 6132 C C . PRO A 1 4 ? -7.863 -8.554 -4.891 1.00 0.00 ? 4 PRO A C 12 ATOM 6133 O O . PRO A 1 4 ? -7.346 -7.887 -5.792 1.00 0.00 ? 4 PRO A O 12 ATOM 6134 C CB . PRO A 1 4 ? -10.247 -8.949 -5.700 1.00 0.00 ? 4 PRO A CB 12 ATOM 6135 C CG . PRO A 1 4 ? -11.539 -8.157 -5.511 1.00 0.00 ? 4 PRO A CG 12 ATOM 6136 C CD . PRO A 1 4 ? -11.029 -6.793 -5.051 1.00 0.00 ? 4 PRO A CD 12 ATOM 6137 H HA . PRO A 1 4 ? -9.576 -9.028 -3.669 1.00 0.00 ? 4 PRO A HA 12 ATOM 6138 H HB2 . PRO A 1 4 ? -9.808 -8.695 -6.668 1.00 0.00 ? 4 PRO A HB2 12 ATOM 6139 H HB3 . PRO A 1 4 ? -10.417 -10.024 -5.626 1.00 0.00 ? 4 PRO A HB3 12 ATOM 6140 H HG2 . PRO A 1 4 ? -12.110 -8.083 -6.438 1.00 0.00 ? 4 PRO A HG2 12 ATOM 6141 H HG3 . PRO A 1 4 ? -12.138 -8.612 -4.721 1.00 0.00 ? 4 PRO A HG3 12 ATOM 6142 H HD2 . PRO A 1 4 ? -10.788 -6.177 -5.919 1.00 0.00 ? 4 PRO A HD2 12 ATOM 6143 H HD3 . PRO A 1 4 ? -11.789 -6.304 -4.437 1.00 0.00 ? 4 PRO A HD3 12 ATOM 6144 N N . GLY A 1 5 ? -7.165 -9.422 -4.154 1.00 0.00 ? 5 GLY A N 12 ATOM 6145 C CA . GLY A 1 5 ? -5.732 -9.709 -4.309 1.00 0.00 ? 5 GLY A CA 12 ATOM 6146 C C . GLY A 1 5 ? -4.766 -8.736 -3.620 1.00 0.00 ? 5 GLY A C 12 ATOM 6147 O O . GLY A 1 5 ? -3.580 -9.052 -3.516 1.00 0.00 ? 5 GLY A O 12 ATOM 6148 H H . GLY A 1 5 ? -7.661 -9.926 -3.431 1.00 0.00 ? 5 GLY A H 12 ATOM 6149 H HA2 . GLY A 1 5 ? -5.536 -10.707 -3.911 1.00 0.00 ? 5 GLY A HA2 12 ATOM 6150 H HA3 . GLY A 1 5 ? -5.489 -9.701 -5.373 1.00 0.00 ? 5 GLY A HA3 12 ATOM 6151 N N . TRP A 1 6 ? -5.230 -7.581 -3.135 1.00 0.00 ? 6 TRP A N 12 ATOM 6152 C CA . TRP A 1 6 ? -4.389 -6.577 -2.471 1.00 0.00 ? 6 TRP A CA 12 ATOM 6153 C C . TRP A 1 6 ? -4.049 -6.884 -1.003 1.00 0.00 ? 6 TRP A C 12 ATOM 6154 O O . TRP A 1 6 ? -4.903 -7.322 -0.229 1.00 0.00 ? 6 TRP A O 12 ATOM 6155 C CB . TRP A 1 6 ? -5.020 -5.187 -2.581 1.00 0.00 ? 6 TRP A CB 12 ATOM 6156 C CG . TRP A 1 6 ? -5.023 -4.564 -3.943 1.00 0.00 ? 6 TRP A CG 12 ATOM 6157 C CD1 . TRP A 1 6 ? -5.991 -4.725 -4.871 1.00 0.00 ? 6 TRP A CD1 12 ATOM 6158 C CD2 . TRP A 1 6 ? -3.932 -3.879 -4.634 1.00 0.00 ? 6 TRP A CD2 12 ATOM 6159 N NE1 . TRP A 1 6 ? -5.644 -4.067 -6.032 1.00 0.00 ? 6 TRP A NE1 12 ATOM 6160 C CE2 . TRP A 1 6 ? -4.360 -3.575 -5.963 1.00 0.00 ? 6 TRP A CE2 12 ATOM 6161 C CE3 . TRP A 1 6 ? -2.634 -3.463 -4.266 1.00 0.00 ? 6 TRP A CE3 12 ATOM 6162 C CZ2 . TRP A 1 6 ? -3.534 -2.927 -6.889 1.00 0.00 ? 6 TRP A CZ2 12 ATOM 6163 C CZ3 . TRP A 1 6 ? -1.801 -2.792 -5.185 1.00 0.00 ? 6 TRP A CZ3 12 ATOM 6164 C CH2 . TRP A 1 6 ? -2.244 -2.529 -6.494 1.00 0.00 ? 6 TRP A CH2 12 ATOM 6165 H H . TRP A 1 6 ? -6.221 -7.388 -3.214 1.00 0.00 ? 6 TRP A H 12 ATOM 6166 H HA . TRP A 1 6 ? -3.441 -6.527 -3.004 1.00 0.00 ? 6 TRP A HA 12 ATOM 6167 H HB2 . TRP A 1 6 ? -6.048 -5.245 -2.223 1.00 0.00 ? 6 TRP A HB2 12 ATOM 6168 H HB3 . TRP A 1 6 ? -4.470 -4.512 -1.922 1.00 0.00 ? 6 TRP A HB3 12 ATOM 6169 H HD1 . TRP A 1 6 ? -6.915 -5.265 -4.711 1.00 0.00 ? 6 TRP A HD1 12 ATOM 6170 H HE1 . TRP A 1 6 ? -6.287 -3.938 -6.822 1.00 0.00 ? 6 TRP A HE1 12 ATOM 6171 H HE3 . TRP A 1 6 ? -2.290 -3.654 -3.259 1.00 0.00 ? 6 TRP A HE3 12 ATOM 6172 H HZ2 . TRP A 1 6 ? -3.892 -2.753 -7.893 1.00 0.00 ? 6 TRP A HZ2 12 ATOM 6173 H HZ3 . TRP A 1 6 ? -0.811 -2.476 -4.885 1.00 0.00 ? 6 TRP A HZ3 12 ATOM 6174 H HH2 . TRP A 1 6 ? -1.595 -2.020 -7.195 1.00 0.00 ? 6 TRP A HH2 12 ATOM 6175 N N . GLU A 1 7 ? -2.818 -6.566 -0.603 1.00 0.00 ? 7 GLU A N 12 ATOM 6176 C CA . GLU A 1 7 ? -2.318 -6.567 0.778 1.00 0.00 ? 7 GLU A CA 12 ATOM 6177 C C . GLU A 1 7 ? -1.219 -5.508 0.991 1.00 0.00 ? 7 GLU A C 12 ATOM 6178 O O . GLU A 1 7 ? -0.621 -5.008 0.032 1.00 0.00 ? 7 GLU A O 12 ATOM 6179 C CB . GLU A 1 7 ? -1.780 -7.966 1.163 1.00 0.00 ? 7 GLU A CB 12 ATOM 6180 C CG . GLU A 1 7 ? -2.734 -8.803 2.033 1.00 0.00 ? 7 GLU A CG 12 ATOM 6181 C CD . GLU A 1 7 ? -3.063 -8.184 3.409 1.00 0.00 ? 7 GLU A CD 12 ATOM 6182 O OE1 . GLU A 1 7 ? -2.580 -7.078 3.754 1.00 0.00 ? 7 GLU A OE1 12 ATOM 6183 O OE2 . GLU A 1 7 ? -3.839 -8.805 4.175 1.00 0.00 ? 7 GLU A OE2 12 ATOM 6184 H H . GLU A 1 7 ? -2.155 -6.269 -1.315 1.00 0.00 ? 7 GLU A H 12 ATOM 6185 H HA . GLU A 1 7 ? -3.137 -6.304 1.445 1.00 0.00 ? 7 GLU A HA 12 ATOM 6186 H HB2 . GLU A 1 7 ? -1.550 -8.531 0.257 1.00 0.00 ? 7 GLU A HB2 12 ATOM 6187 H HB3 . GLU A 1 7 ? -0.843 -7.865 1.711 1.00 0.00 ? 7 GLU A HB3 12 ATOM 6188 H HG2 . GLU A 1 7 ? -3.660 -8.970 1.482 1.00 0.00 ? 7 GLU A HG2 12 ATOM 6189 H HG3 . GLU A 1 7 ? -2.270 -9.780 2.192 1.00 0.00 ? 7 GLU A HG3 12 ATOM 6190 N N . LYS A 1 8 ? -0.932 -5.169 2.253 1.00 0.00 ? 8 LYS A N 12 ATOM 6191 C CA . LYS A 1 8 ? 0.232 -4.343 2.626 1.00 0.00 ? 8 LYS A CA 12 ATOM 6192 C C . LYS A 1 8 ? 1.526 -5.160 2.604 1.00 0.00 ? 8 LYS A C 12 ATOM 6193 O O . LYS A 1 8 ? 1.530 -6.340 2.972 1.00 0.00 ? 8 LYS A O 12 ATOM 6194 C CB . LYS A 1 8 ? 0.031 -3.662 3.989 1.00 0.00 ? 8 LYS A CB 12 ATOM 6195 C CG . LYS A 1 8 ? -0.895 -2.447 3.839 1.00 0.00 ? 8 LYS A CG 12 ATOM 6196 C CD . LYS A 1 8 ? -1.345 -1.862 5.186 1.00 0.00 ? 8 LYS A CD 12 ATOM 6197 C CE . LYS A 1 8 ? -0.196 -1.162 5.923 1.00 0.00 ? 8 LYS A CE 12 ATOM 6198 N NZ . LYS A 1 8 ? -0.642 -0.609 7.228 1.00 0.00 ? 8 LYS A NZ 12 ATOM 6199 H H . LYS A 1 8 ? -1.444 -5.650 2.990 1.00 0.00 ? 8 LYS A H 12 ATOM 6200 H HA . LYS A 1 8 ? 0.351 -3.555 1.879 1.00 0.00 ? 8 LYS A HA 12 ATOM 6201 H HB2 . LYS A 1 8 ? -0.391 -4.377 4.697 1.00 0.00 ? 8 LYS A HB2 12 ATOM 6202 H HB3 . LYS A 1 8 ? 0.994 -3.318 4.370 1.00 0.00 ? 8 LYS A HB3 12 ATOM 6203 H HG2 . LYS A 1 8 ? -0.381 -1.674 3.264 1.00 0.00 ? 8 LYS A HG2 12 ATOM 6204 H HG3 . LYS A 1 8 ? -1.776 -2.765 3.285 1.00 0.00 ? 8 LYS A HG3 12 ATOM 6205 H HD2 . LYS A 1 8 ? -2.135 -1.135 4.997 1.00 0.00 ? 8 LYS A HD2 12 ATOM 6206 H HD3 . LYS A 1 8 ? -1.755 -2.660 5.808 1.00 0.00 ? 8 LYS A HD3 12 ATOM 6207 H HE2 . LYS A 1 8 ? 0.626 -1.868 6.083 1.00 0.00 ? 8 LYS A HE2 12 ATOM 6208 H HE3 . LYS A 1 8 ? 0.182 -0.354 5.289 1.00 0.00 ? 8 LYS A HE3 12 ATOM 6209 H HZ1 . LYS A 1 8 ? -1.385 0.066 7.107 1.00 0.00 ? 8 LYS A HZ1 12 ATOM 6210 H HZ2 . LYS A 1 8 ? -0.983 -1.340 7.839 1.00 0.00 ? 8 LYS A HZ2 12 ATOM 6211 H HZ3 . LYS A 1 8 ? 0.118 -0.142 7.705 1.00 0.00 ? 8 LYS A HZ3 12 ATOM 6212 N N . ARG A 1 9 ? 2.629 -4.521 2.211 1.00 0.00 ? 9 ARG A N 12 ATOM 6213 C CA . ARG A 1 9 ? 3.980 -5.115 2.179 1.00 0.00 ? 9 ARG A CA 12 ATOM 6214 C C . ARG A 1 9 ? 5.058 -4.092 2.556 1.00 0.00 ? 9 ARG A C 12 ATOM 6215 O O . ARG A 1 9 ? 4.886 -2.895 2.332 1.00 0.00 ? 9 ARG A O 12 ATOM 6216 C CB . ARG A 1 9 ? 4.190 -5.746 0.787 1.00 0.00 ? 9 ARG A CB 12 ATOM 6217 C CG . ARG A 1 9 ? 5.531 -6.478 0.617 1.00 0.00 ? 9 ARG A CG 12 ATOM 6218 C CD . ARG A 1 9 ? 5.556 -7.326 -0.664 1.00 0.00 ? 9 ARG A CD 12 ATOM 6219 N NE . ARG A 1 9 ? 4.711 -8.534 -0.554 1.00 0.00 ? 9 ARG A NE 12 ATOM 6220 C CZ . ARG A 1 9 ? 5.071 -9.724 -0.104 1.00 0.00 ? 9 ARG A CZ 12 ATOM 6221 N NH1 . ARG A 1 9 ? 6.265 -9.966 0.361 1.00 0.00 ? 9 ARG A NH1 12 ATOM 6222 N NH2 . ARG A 1 9 ? 4.222 -10.711 -0.108 1.00 0.00 ? 9 ARG A NH2 12 ATOM 6223 H H . ARG A 1 9 ? 2.514 -3.549 1.934 1.00 0.00 ? 9 ARG A H 12 ATOM 6224 H HA . ARG A 1 9 ? 4.032 -5.914 2.924 1.00 0.00 ? 9 ARG A HA 12 ATOM 6225 H HB2 . ARG A 1 9 ? 3.380 -6.457 0.615 1.00 0.00 ? 9 ARG A HB2 12 ATOM 6226 H HB3 . ARG A 1 9 ? 4.116 -4.967 0.024 1.00 0.00 ? 9 ARG A HB3 12 ATOM 6227 H HG2 . ARG A 1 9 ? 6.333 -5.741 0.560 1.00 0.00 ? 9 ARG A HG2 12 ATOM 6228 H HG3 . ARG A 1 9 ? 5.706 -7.128 1.477 1.00 0.00 ? 9 ARG A HG3 12 ATOM 6229 H HD2 . ARG A 1 9 ? 5.191 -6.717 -1.495 1.00 0.00 ? 9 ARG A HD2 12 ATOM 6230 H HD3 . ARG A 1 9 ? 6.590 -7.611 -0.879 1.00 0.00 ? 9 ARG A HD3 12 ATOM 6231 H HE . ARG A 1 9 ? 3.769 -8.462 -0.904 1.00 0.00 ? 9 ARG A HE 12 ATOM 6232 H HH11 . ARG A 1 9 ? 6.945 -9.226 0.386 1.00 0.00 ? 9 ARG A HH11 12 ATOM 6233 H HH12 . ARG A 1 9 ? 6.506 -10.886 0.696 1.00 0.00 ? 9 ARG A HH12 12 ATOM 6234 H HH21 . ARG A 1 9 ? 3.285 -10.575 -0.454 1.00 0.00 ? 9 ARG A HH21 12 ATOM 6235 H HH22 . ARG A 1 9 ? 4.499 -11.617 0.235 1.00 0.00 ? 9 ARG A HH22 12 ATOM 6236 N N . MET A 1 10 ? 6.152 -4.560 3.159 1.00 0.00 ? 10 MET A N 12 ATOM 6237 C CA . MET A 1 10 ? 7.308 -3.749 3.565 1.00 0.00 ? 10 MET A CA 12 ATOM 6238 C C . MET A 1 10 ? 8.545 -3.930 2.661 1.00 0.00 ? 10 MET A C 12 ATOM 6239 O O . MET A 1 10 ? 8.919 -5.057 2.327 1.00 0.00 ? 10 MET A O 12 ATOM 6240 C CB . MET A 1 10 ? 7.592 -4.005 5.055 1.00 0.00 ? 10 MET A CB 12 ATOM 6241 C CG . MET A 1 10 ? 8.769 -3.188 5.599 1.00 0.00 ? 10 MET A CG 12 ATOM 6242 S SD . MET A 1 10 ? 8.980 -3.242 7.402 1.00 0.00 ? 10 MET A SD 12 ATOM 6243 C CE . MET A 1 10 ? 7.602 -2.188 7.934 1.00 0.00 ? 10 MET A CE 12 ATOM 6244 H H . MET A 1 10 ? 6.211 -5.556 3.310 1.00 0.00 ? 10 MET A H 12 ATOM 6245 H HA . MET A 1 10 ? 7.026 -2.699 3.491 1.00 0.00 ? 10 MET A HA 12 ATOM 6246 H HB2 . MET A 1 10 ? 6.695 -3.753 5.620 1.00 0.00 ? 10 MET A HB2 12 ATOM 6247 H HB3 . MET A 1 10 ? 7.805 -5.065 5.206 1.00 0.00 ? 10 MET A HB3 12 ATOM 6248 H HG2 . MET A 1 10 ? 9.682 -3.576 5.151 1.00 0.00 ? 10 MET A HG2 12 ATOM 6249 H HG3 . MET A 1 10 ? 8.654 -2.147 5.295 1.00 0.00 ? 10 MET A HG3 12 ATOM 6250 H HE1 . MET A 1 10 ? 6.653 -2.646 7.657 1.00 0.00 ? 10 MET A HE1 12 ATOM 6251 H HE2 . MET A 1 10 ? 7.633 -2.067 9.016 1.00 0.00 ? 10 MET A HE2 12 ATOM 6252 H HE3 . MET A 1 10 ? 7.684 -1.208 7.462 1.00 0.00 ? 10 MET A HE3 12 ATOM 6253 N N . PHE A 1 11 ? 9.201 -2.825 2.300 1.00 0.00 ? 11 PHE A N 12 ATOM 6254 C CA . PHE A 1 11 ? 10.509 -2.779 1.634 1.00 0.00 ? 11 PHE A CA 12 ATOM 6255 C C . PHE A 1 11 ? 11.714 -3.114 2.535 1.00 0.00 ? 11 PHE A C 12 ATOM 6256 O O . PHE A 1 11 ? 11.628 -2.992 3.758 1.00 0.00 ? 11 PHE A O 12 ATOM 6257 C CB . PHE A 1 11 ? 10.707 -1.426 0.930 1.00 0.00 ? 11 PHE A CB 12 ATOM 6258 C CG . PHE A 1 11 ? 9.947 -1.213 -0.363 1.00 0.00 ? 11 PHE A CG 12 ATOM 6259 C CD1 . PHE A 1 11 ? 8.951 -0.222 -0.432 1.00 0.00 ? 11 PHE A CD1 12 ATOM 6260 C CD2 . PHE A 1 11 ? 10.279 -1.949 -1.518 1.00 0.00 ? 11 PHE A CD2 12 ATOM 6261 C CE1 . PHE A 1 11 ? 8.288 0.033 -1.644 1.00 0.00 ? 11 PHE A CE1 12 ATOM 6262 C CE2 . PHE A 1 11 ? 9.609 -1.699 -2.730 1.00 0.00 ? 11 PHE A CE2 12 ATOM 6263 C CZ . PHE A 1 11 ? 8.614 -0.707 -2.794 1.00 0.00 ? 11 PHE A CZ 12 ATOM 6264 H H . PHE A 1 11 ? 8.810 -1.937 2.589 1.00 0.00 ? 11 PHE A H 12 ATOM 6265 H HA . PHE A 1 11 ? 10.507 -3.544 0.855 1.00 0.00 ? 11 PHE A HA 12 ATOM 6266 H HB2 . PHE A 1 11 ? 10.430 -0.640 1.634 1.00 0.00 ? 11 PHE A HB2 12 ATOM 6267 H HB3 . PHE A 1 11 ? 11.766 -1.303 0.689 1.00 0.00 ? 11 PHE A HB3 12 ATOM 6268 H HD1 . PHE A 1 11 ? 8.690 0.346 0.449 1.00 0.00 ? 11 PHE A HD1 12 ATOM 6269 H HD2 . PHE A 1 11 ? 11.053 -2.703 -1.478 1.00 0.00 ? 11 PHE A HD2 12 ATOM 6270 H HE1 . PHE A 1 11 ? 7.510 0.781 -1.682 1.00 0.00 ? 11 PHE A HE1 12 ATOM 6271 H HE2 . PHE A 1 11 ? 9.859 -2.271 -3.615 1.00 0.00 ? 11 PHE A HE2 12 ATOM 6272 H HZ . PHE A 1 11 ? 8.092 -0.520 -3.724 1.00 0.00 ? 11 PHE A HZ 12 ATOM 6273 N N . ALA A 1 12 ? 12.870 -3.456 1.955 1.00 0.00 ? 12 ALA A N 12 ATOM 6274 C CA . ALA A 1 12 ? 14.102 -3.748 2.705 1.00 0.00 ? 12 ALA A CA 12 ATOM 6275 C C . ALA A 1 12 ? 14.624 -2.563 3.560 1.00 0.00 ? 12 ALA A C 12 ATOM 6276 O O . ALA A 1 12 ? 15.343 -2.773 4.542 1.00 0.00 ? 12 ALA A O 12 ATOM 6277 C CB . ALA A 1 12 ? 15.164 -4.211 1.698 1.00 0.00 ? 12 ALA A CB 12 ATOM 6278 H H . ALA A 1 12 ? 12.900 -3.538 0.948 1.00 0.00 ? 12 ALA A H 12 ATOM 6279 H HA . ALA A 1 12 ? 13.900 -4.573 3.389 1.00 0.00 ? 12 ALA A HA 12 ATOM 6280 H HB1 . ALA A 1 12 ? 16.076 -4.490 2.229 1.00 0.00 ? 12 ALA A HB1 12 ATOM 6281 H HB2 . ALA A 1 12 ? 14.800 -5.080 1.148 1.00 0.00 ? 12 ALA A HB2 12 ATOM 6282 H HB3 . ALA A 1 12 ? 15.392 -3.408 0.997 1.00 0.00 ? 12 ALA A HB3 12 ATOM 6283 N N . ASN A 1 13 ? 14.249 -1.326 3.212 1.00 0.00 ? 13 ASN A N 12 ATOM 6284 C CA . ASN A 1 13 ? 14.541 -0.093 3.961 1.00 0.00 ? 13 ASN A CA 12 ATOM 6285 C C . ASN A 1 13 ? 13.565 0.206 5.128 1.00 0.00 ? 13 ASN A C 12 ATOM 6286 O O . ASN A 1 13 ? 13.780 1.170 5.869 1.00 0.00 ? 13 ASN A O 12 ATOM 6287 C CB . ASN A 1 13 ? 14.605 1.086 2.965 1.00 0.00 ? 13 ASN A CB 12 ATOM 6288 C CG . ASN A 1 13 ? 13.325 1.294 2.165 1.00 0.00 ? 13 ASN A CG 12 ATOM 6289 O OD1 . ASN A 1 13 ? 12.263 0.805 2.540 1.00 0.00 ? 13 ASN A OD1 12 ATOM 6290 N ND2 . ASN A 1 13 ? 13.420 2.015 1.061 1.00 0.00 ? 13 ASN A ND2 12 ATOM 6291 H H . ASN A 1 13 ? 13.661 -1.242 2.395 1.00 0.00 ? 13 ASN A H 12 ATOM 6292 H HA . ASN A 1 13 ? 15.530 -0.194 4.413 1.00 0.00 ? 13 ASN A HA 12 ATOM 6293 H HB2 . ASN A 1 13 ? 14.826 2.010 3.503 1.00 0.00 ? 13 ASN A HB2 12 ATOM 6294 H HB3 . ASN A 1 13 ? 15.420 0.895 2.262 1.00 0.00 ? 13 ASN A HB3 12 ATOM 6295 H HD21 . ASN A 1 13 ? 14.318 2.401 0.811 1.00 0.00 ? 13 ASN A HD21 12 ATOM 6296 N N . GLY A 1 14 ? 12.498 -0.584 5.299 1.00 0.00 ? 14 GLY A N 12 ATOM 6297 C CA . GLY A 1 14 ? 11.469 -0.391 6.332 1.00 0.00 ? 14 GLY A CA 12 ATOM 6298 C C . GLY A 1 14 ? 10.262 0.475 5.927 1.00 0.00 ? 14 GLY A C 12 ATOM 6299 O O . GLY A 1 14 ? 9.497 0.887 6.803 1.00 0.00 ? 14 GLY A O 12 ATOM 6300 H H . GLY A 1 14 ? 12.380 -1.367 4.667 1.00 0.00 ? 14 GLY A H 12 ATOM 6301 H HA2 . GLY A 1 14 ? 11.085 -1.374 6.605 1.00 0.00 ? 14 GLY A HA2 12 ATOM 6302 H HA3 . GLY A 1 14 ? 11.923 0.058 7.219 1.00 0.00 ? 14 GLY A HA3 12 ATOM 6303 N N . THR A 1 15 ? 10.052 0.741 4.632 1.00 0.00 ? 15 THR A N 12 ATOM 6304 C CA . THR A 1 15 ? 8.930 1.560 4.120 1.00 0.00 ? 15 THR A CA 12 ATOM 6305 C C . THR A 1 15 ? 7.780 0.624 3.729 1.00 0.00 ? 15 THR A C 12 ATOM 6306 O O . THR A 1 15 ? 8.001 -0.395 3.075 1.00 0.00 ? 15 THR A O 12 ATOM 6307 C CB . THR A 1 15 ? 9.384 2.341 2.870 1.00 0.00 ? 15 THR A CB 12 ATOM 6308 O OG1 . THR A 1 15 ? 10.264 3.375 3.257 1.00 0.00 ? 15 THR A OG1 12 ATOM 6309 C CG2 . THR A 1 15 ? 8.251 2.992 2.069 1.00 0.00 ? 15 THR A CG2 12 ATOM 6310 H H . THR A 1 15 ? 10.746 0.427 3.964 1.00 0.00 ? 15 THR A H 12 ATOM 6311 H HA . THR A 1 15 ? 8.583 2.266 4.874 1.00 0.00 ? 15 THR A HA 12 ATOM 6312 H HB . THR A 1 15 ? 9.910 1.663 2.199 1.00 0.00 ? 15 THR A HB 12 ATOM 6313 H HG1 . THR A 1 15 ? 10.693 3.694 2.441 1.00 0.00 ? 15 THR A HG1 12 ATOM 6314 H HG21 . THR A 1 15 ? 8.668 3.627 1.289 1.00 0.00 ? 15 THR A HG21 12 ATOM 6315 H HG22 . THR A 1 15 ? 7.642 2.226 1.584 1.00 0.00 ? 15 THR A HG22 12 ATOM 6316 H HG23 . THR A 1 15 ? 7.624 3.594 2.727 1.00 0.00 ? 15 THR A HG23 12 ATOM 6317 N N . VAL A 1 16 ? 6.539 0.977 4.082 1.00 0.00 ? 16 VAL A N 12 ATOM 6318 C CA . VAL A 1 16 ? 5.329 0.205 3.734 1.00 0.00 ? 16 VAL A CA 12 ATOM 6319 C C . VAL A 1 16 ? 4.681 0.745 2.454 1.00 0.00 ? 16 VAL A C 12 ATOM 6320 O O . VAL A 1 16 ? 4.629 1.957 2.227 1.00 0.00 ? 16 VAL A O 12 ATOM 6321 C CB . VAL A 1 16 ? 4.309 0.185 4.891 1.00 0.00 ? 16 VAL A CB 12 ATOM 6322 C CG1 . VAL A 1 16 ? 3.047 -0.626 4.563 1.00 0.00 ? 16 VAL A CG1 12 ATOM 6323 C CG2 . VAL A 1 16 ? 4.901 -0.432 6.163 1.00 0.00 ? 16 VAL A CG2 12 ATOM 6324 H H . VAL A 1 16 ? 6.415 1.841 4.593 1.00 0.00 ? 16 VAL A H 12 ATOM 6325 H HA . VAL A 1 16 ? 5.616 -0.829 3.547 1.00 0.00 ? 16 VAL A HA 12 ATOM 6326 H HB . VAL A 1 16 ? 4.007 1.209 5.117 1.00 0.00 ? 16 VAL A HB 12 ATOM 6327 H HG11 . VAL A 1 16 ? 2.420 -0.686 5.449 1.00 0.00 ? 16 VAL A HG11 12 ATOM 6328 H HG12 . VAL A 1 16 ? 2.472 -0.139 3.776 1.00 0.00 ? 16 VAL A HG12 12 ATOM 6329 H HG13 . VAL A 1 16 ? 3.317 -1.635 4.249 1.00 0.00 ? 16 VAL A HG13 12 ATOM 6330 H HG21 . VAL A 1 16 ? 5.239 -1.448 5.956 1.00 0.00 ? 16 VAL A HG21 12 ATOM 6331 H HG22 . VAL A 1 16 ? 5.739 0.166 6.520 1.00 0.00 ? 16 VAL A HG22 12 ATOM 6332 H HG23 . VAL A 1 16 ? 4.137 -0.465 6.943 1.00 0.00 ? 16 VAL A HG23 12 ATOM 6333 N N . TYR A 1 17 ? 4.161 -0.166 1.632 1.00 0.00 ? 17 TYR A N 12 ATOM 6334 C CA . TYR A 1 17 ? 3.439 0.102 0.386 1.00 0.00 ? 17 TYR A CA 12 ATOM 6335 C C . TYR A 1 17 ? 2.357 -0.987 0.209 1.00 0.00 ? 17 TYR A C 12 ATOM 6336 O O . TYR A 1 17 ? 2.200 -1.888 1.042 1.00 0.00 ? 17 TYR A O 12 ATOM 6337 C CB . TYR A 1 17 ? 4.461 0.091 -0.768 1.00 0.00 ? 17 TYR A CB 12 ATOM 6338 C CG . TYR A 1 17 ? 5.054 -1.261 -1.139 1.00 0.00 ? 17 TYR A CG 12 ATOM 6339 C CD1 . TYR A 1 17 ? 6.073 -1.829 -0.348 1.00 0.00 ? 17 TYR A CD1 12 ATOM 6340 C CD2 . TYR A 1 17 ? 4.627 -1.925 -2.307 1.00 0.00 ? 17 TYR A CD2 12 ATOM 6341 C CE1 . TYR A 1 17 ? 6.677 -3.042 -0.731 1.00 0.00 ? 17 TYR A CE1 12 ATOM 6342 C CE2 . TYR A 1 17 ? 5.221 -3.144 -2.690 1.00 0.00 ? 17 TYR A CE2 12 ATOM 6343 C CZ . TYR A 1 17 ? 6.263 -3.694 -1.911 1.00 0.00 ? 17 TYR A CZ 12 ATOM 6344 O OH . TYR A 1 17 ? 6.879 -4.841 -2.303 1.00 0.00 ? 17 TYR A OH 12 ATOM 6345 H H . TYR A 1 17 ? 4.249 -1.143 1.897 1.00 0.00 ? 17 TYR A H 12 ATOM 6346 H HA . TYR A 1 17 ? 2.953 1.077 0.429 1.00 0.00 ? 17 TYR A HA 12 ATOM 6347 H HB2 . TYR A 1 17 ? 3.982 0.508 -1.652 1.00 0.00 ? 17 TYR A HB2 12 ATOM 6348 H HB3 . TYR A 1 17 ? 5.276 0.772 -0.519 1.00 0.00 ? 17 TYR A HB3 12 ATOM 6349 H HD1 . TYR A 1 17 ? 6.420 -1.315 0.540 1.00 0.00 ? 17 TYR A HD1 12 ATOM 6350 H HD2 . TYR A 1 17 ? 3.853 -1.491 -2.925 1.00 0.00 ? 17 TYR A HD2 12 ATOM 6351 H HE1 . TYR A 1 17 ? 7.481 -3.461 -0.146 1.00 0.00 ? 17 TYR A HE1 12 ATOM 6352 H HE2 . TYR A 1 17 ? 4.888 -3.651 -3.584 1.00 0.00 ? 17 TYR A HE2 12 ATOM 6353 H HH . TYR A 1 17 ? 6.594 -5.115 -3.182 1.00 0.00 ? 17 TYR A HH 12 ATOM 6354 N N . TYR A 1 18 ? 1.595 -0.902 -0.881 1.00 0.00 ? 18 TYR A N 12 ATOM 6355 C CA . TYR A 1 18 ? 0.513 -1.822 -1.234 1.00 0.00 ? 18 TYR A CA 12 ATOM 6356 C C . TYR A 1 18 ? 0.869 -2.695 -2.441 1.00 0.00 ? 18 TYR A C 12 ATOM 6357 O O . TYR A 1 18 ? 1.440 -2.199 -3.416 1.00 0.00 ? 18 TYR A O 12 ATOM 6358 C CB . TYR A 1 18 ? -0.786 -1.039 -1.470 1.00 0.00 ? 18 TYR A CB 12 ATOM 6359 C CG . TYR A 1 18 ? -1.286 -0.306 -0.240 1.00 0.00 ? 18 TYR A CG 12 ATOM 6360 C CD1 . TYR A 1 18 ? -2.122 -0.960 0.687 1.00 0.00 ? 18 TYR A CD1 12 ATOM 6361 C CD2 . TYR A 1 18 ? -0.893 1.029 -0.014 1.00 0.00 ? 18 TYR A CD2 12 ATOM 6362 C CE1 . TYR A 1 18 ? -2.570 -0.277 1.836 1.00 0.00 ? 18 TYR A CE1 12 ATOM 6363 C CE2 . TYR A 1 18 ? -1.332 1.710 1.137 1.00 0.00 ? 18 TYR A CE2 12 ATOM 6364 C CZ . TYR A 1 18 ? -2.175 1.059 2.063 1.00 0.00 ? 18 TYR A CZ 12 ATOM 6365 O OH . TYR A 1 18 ? -2.601 1.722 3.172 1.00 0.00 ? 18 TYR A OH 12 ATOM 6366 H H . TYR A 1 18 ? 1.777 -0.145 -1.532 1.00 0.00 ? 18 TYR A H 12 ATOM 6367 H HA . TYR A 1 18 ? 0.328 -2.496 -0.396 1.00 0.00 ? 18 TYR A HA 12 ATOM 6368 H HB2 . TYR A 1 18 ? -0.630 -0.322 -2.280 1.00 0.00 ? 18 TYR A HB2 12 ATOM 6369 H HB3 . TYR A 1 18 ? -1.560 -1.744 -1.785 1.00 0.00 ? 18 TYR A HB3 12 ATOM 6370 H HD1 . TYR A 1 18 ? -2.415 -1.989 0.521 1.00 0.00 ? 18 TYR A HD1 12 ATOM 6371 H HD2 . TYR A 1 18 ? -0.250 1.530 -0.727 1.00 0.00 ? 18 TYR A HD2 12 ATOM 6372 H HE1 . TYR A 1 18 ? -3.197 -0.785 2.553 1.00 0.00 ? 18 TYR A HE1 12 ATOM 6373 H HE2 . TYR A 1 18 ? -1.031 2.732 1.317 1.00 0.00 ? 18 TYR A HE2 12 ATOM 6374 H HH . TYR A 1 18 ? -3.223 1.195 3.687 1.00 0.00 ? 18 TYR A HH 12 ATOM 6375 N N . PHE A 1 19 ? 0.520 -3.981 -2.396 1.00 0.00 ? 19 PHE A N 12 ATOM 6376 C CA . PHE A 1 19 ? 0.871 -4.967 -3.417 1.00 0.00 ? 19 PHE A CA 12 ATOM 6377 C C . PHE A 1 19 ? -0.259 -5.960 -3.718 1.00 0.00 ? 19 PHE A C 12 ATOM 6378 O O . PHE A 1 19 ? -0.896 -6.472 -2.794 1.00 0.00 ? 19 PHE A O 12 ATOM 6379 C CB . PHE A 1 19 ? 2.173 -5.675 -3.017 1.00 0.00 ? 19 PHE A CB 12 ATOM 6380 C CG . PHE A 1 19 ? 2.593 -6.740 -4.006 1.00 0.00 ? 19 PHE A CG 12 ATOM 6381 C CD1 . PHE A 1 19 ? 3.129 -6.316 -5.232 1.00 0.00 ? 19 PHE A CD1 12 ATOM 6382 C CD2 . PHE A 1 19 ? 2.414 -8.115 -3.756 1.00 0.00 ? 19 PHE A CD2 12 ATOM 6383 C CE1 . PHE A 1 19 ? 3.486 -7.249 -6.213 1.00 0.00 ? 19 PHE A CE1 12 ATOM 6384 C CE2 . PHE A 1 19 ? 2.804 -9.055 -4.729 1.00 0.00 ? 19 PHE A CE2 12 ATOM 6385 C CZ . PHE A 1 19 ? 3.336 -8.624 -5.958 1.00 0.00 ? 19 PHE A CZ 12 ATOM 6386 H H . PHE A 1 19 ? 0.051 -4.325 -1.563 1.00 0.00 ? 19 PHE A H 12 ATOM 6387 H HA . PHE A 1 19 ? 1.075 -4.447 -4.356 1.00 0.00 ? 19 PHE A HA 12 ATOM 6388 H HB2 . PHE A 1 19 ? 2.969 -4.931 -2.944 1.00 0.00 ? 19 PHE A HB2 12 ATOM 6389 H HB3 . PHE A 1 19 ? 2.046 -6.132 -2.034 1.00 0.00 ? 19 PHE A HB3 12 ATOM 6390 H HD1 . PHE A 1 19 ? 3.242 -5.262 -5.434 1.00 0.00 ? 19 PHE A HD1 12 ATOM 6391 H HD2 . PHE A 1 19 ? 1.968 -8.458 -2.831 1.00 0.00 ? 19 PHE A HD2 12 ATOM 6392 H HE1 . PHE A 1 19 ? 3.861 -6.887 -7.160 1.00 0.00 ? 19 PHE A HE1 12 ATOM 6393 H HE2 . PHE A 1 19 ? 2.679 -10.113 -4.537 1.00 0.00 ? 19 PHE A HE2 12 ATOM 6394 H HZ . PHE A 1 19 ? 3.617 -9.349 -6.711 1.00 0.00 ? 19 PHE A HZ 12 ATOM 6395 N N . ASN A 1 20 ? -0.506 -6.252 -4.996 1.00 0.00 ? 20 ASN A N 12 ATOM 6396 C CA . ASN A 1 20 ? -1.492 -7.236 -5.433 1.00 0.00 ? 20 ASN A CA 12 ATOM 6397 C C . ASN A 1 20 ? -0.812 -8.568 -5.791 1.00 0.00 ? 20 ASN A C 12 ATOM 6398 O O . ASN A 1 20 ? -0.031 -8.639 -6.742 1.00 0.00 ? 20 ASN A O 12 ATOM 6399 C CB . ASN A 1 20 ? -2.288 -6.659 -6.609 1.00 0.00 ? 20 ASN A CB 12 ATOM 6400 C CG . ASN A 1 20 ? -3.529 -7.489 -6.881 1.00 0.00 ? 20 ASN A CG 12 ATOM 6401 O OD1 . ASN A 1 20 ? -3.466 -8.693 -7.078 1.00 0.00 ? 20 ASN A OD1 12 ATOM 6402 N ND2 . ASN A 1 20 ? -4.688 -6.882 -6.905 1.00 0.00 ? 20 ASN A ND2 12 ATOM 6403 H H . ASN A 1 20 ? 0.053 -5.796 -5.710 1.00 0.00 ? 20 ASN A H 12 ATOM 6404 H HA . ASN A 1 20 ? -2.193 -7.417 -4.622 1.00 0.00 ? 20 ASN A HA 12 ATOM 6405 H HB2 . ASN A 1 20 ? -2.587 -5.641 -6.369 1.00 0.00 ? 20 ASN A HB2 12 ATOM 6406 H HB3 . ASN A 1 20 ? -1.668 -6.639 -7.506 1.00 0.00 ? 20 ASN A HB3 12 ATOM 6407 H HD21 . ASN A 1 20 ? -4.745 -5.902 -6.670 1.00 0.00 ? 20 ASN A HD21 12 ATOM 6408 H HD22 . ASN A 1 20 ? -5.532 -7.436 -6.982 1.00 0.00 ? 20 ASN A HD22 12 ATOM 6409 N N . HIS A 1 21 ? -1.131 -9.640 -5.062 1.00 0.00 ? 21 HIS A N 12 ATOM 6410 C CA . HIS A 1 21 ? -0.508 -10.958 -5.261 1.00 0.00 ? 21 HIS A CA 12 ATOM 6411 C C . HIS A 1 21 ? -1.011 -11.690 -6.522 1.00 0.00 ? 21 HIS A C 12 ATOM 6412 O O . HIS A 1 21 ? -0.304 -12.545 -7.060 1.00 0.00 ? 21 HIS A O 12 ATOM 6413 C CB . HIS A 1 21 ? -0.680 -11.795 -3.980 1.00 0.00 ? 21 HIS A CB 12 ATOM 6414 C CG . HIS A 1 21 ? -1.927 -12.653 -3.924 1.00 0.00 ? 21 HIS A CG 12 ATOM 6415 N ND1 . HIS A 1 21 ? -2.054 -13.936 -4.469 1.00 0.00 ? 21 HIS A ND1 12 ATOM 6416 C CD2 . HIS A 1 21 ? -3.080 -12.348 -3.261 1.00 0.00 ? 21 HIS A CD2 12 ATOM 6417 C CE1 . HIS A 1 21 ? -3.284 -14.363 -4.138 1.00 0.00 ? 21 HIS A CE1 12 ATOM 6418 N NE2 . HIS A 1 21 ? -3.923 -13.428 -3.414 1.00 0.00 ? 21 HIS A NE2 12 ATOM 6419 H H . HIS A 1 21 ? -1.822 -9.532 -4.325 1.00 0.00 ? 21 HIS A H 12 ATOM 6420 H HA . HIS A 1 21 ? 0.561 -10.801 -5.406 1.00 0.00 ? 21 HIS A HA 12 ATOM 6421 H HB2 . HIS A 1 21 ? 0.186 -12.458 -3.906 1.00 0.00 ? 21 HIS A HB2 12 ATOM 6422 H HB3 . HIS A 1 21 ? -0.661 -11.136 -3.106 1.00 0.00 ? 21 HIS A HB3 12 ATOM 6423 H HD2 . HIS A 1 21 ? -3.283 -11.438 -2.715 1.00 0.00 ? 21 HIS A HD2 12 ATOM 6424 H HE1 . HIS A 1 21 ? -3.702 -15.327 -4.408 1.00 0.00 ? 21 HIS A HE1 12 ATOM 6425 H HE2 . HIS A 1 21 ? -4.859 -13.525 -3.031 1.00 0.00 ? 21 HIS A HE2 12 ATOM 6426 N N . ILE A 1 22 ? -2.208 -11.344 -7.012 1.00 0.00 ? 22 ILE A N 12 ATOM 6427 C CA . ILE A 1 22 ? -2.859 -11.954 -8.182 1.00 0.00 ? 22 ILE A CA 12 ATOM 6428 C C . ILE A 1 22 ? -2.348 -11.329 -9.491 1.00 0.00 ? 22 ILE A C 12 ATOM 6429 O O . ILE A 1 22 ? -2.109 -12.035 -10.474 1.00 0.00 ? 22 ILE A O 12 ATOM 6430 C CB . ILE A 1 22 ? -4.398 -11.786 -8.058 1.00 0.00 ? 22 ILE A CB 12 ATOM 6431 C CG1 . ILE A 1 22 ? -4.905 -12.341 -6.702 1.00 0.00 ? 22 ILE A CG1 12 ATOM 6432 C CG2 . ILE A 1 22 ? -5.112 -12.473 -9.236 1.00 0.00 ? 22 ILE A CG2 12 ATOM 6433 C CD1 . ILE A 1 22 ? -6.425 -12.292 -6.497 1.00 0.00 ? 22 ILE A CD1 12 ATOM 6434 H H . ILE A 1 22 ? -2.710 -10.596 -6.552 1.00 0.00 ? 22 ILE A H 12 ATOM 6435 H HA . ILE A 1 22 ? -2.629 -13.021 -8.204 1.00 0.00 ? 22 ILE A HA 12 ATOM 6436 H HB . ILE A 1 22 ? -4.636 -10.718 -8.104 1.00 0.00 ? 22 ILE A HB 12 ATOM 6437 H HG12 . ILE A 1 22 ? -4.577 -13.378 -6.592 1.00 0.00 ? 22 ILE A HG12 12 ATOM 6438 H HG13 . ILE A 1 22 ? -4.461 -11.757 -5.895 1.00 0.00 ? 22 ILE A HG13 12 ATOM 6439 H HG21 . ILE A 1 22 ? -4.772 -12.059 -10.184 1.00 0.00 ? 22 ILE A HG21 12 ATOM 6440 H HG22 . ILE A 1 22 ? -4.912 -13.544 -9.217 1.00 0.00 ? 22 ILE A HG22 12 ATOM 6441 H HG23 . ILE A 1 22 ? -6.185 -12.301 -9.180 1.00 0.00 ? 22 ILE A HG23 12 ATOM 6442 H HD11 . ILE A 1 22 ? -6.921 -13.021 -7.137 1.00 0.00 ? 22 ILE A HD11 12 ATOM 6443 H HD12 . ILE A 1 22 ? -6.653 -12.533 -5.458 1.00 0.00 ? 22 ILE A HD12 12 ATOM 6444 H HD13 . ILE A 1 22 ? -6.799 -11.292 -6.720 1.00 0.00 ? 22 ILE A HD13 12 ATOM 6445 N N . THR A 1 23 ? -2.155 -10.007 -9.494 1.00 0.00 ? 23 THR A N 12 ATOM 6446 C CA . THR A 1 23 ? -1.838 -9.187 -10.681 1.00 0.00 ? 23 THR A CA 12 ATOM 6447 C C . THR A 1 23 ? -0.414 -8.629 -10.753 1.00 0.00 ? 23 THR A C 12 ATOM 6448 O O . THR A 1 23 ? -0.013 -8.088 -11.787 1.00 0.00 ? 23 THR A O 12 ATOM 6449 C CB . THR A 1 23 ? -2.875 -8.068 -10.876 1.00 0.00 ? 23 THR A CB 12 ATOM 6450 O OG1 . THR A 1 23 ? -2.604 -7.016 -9.981 1.00 0.00 ? 23 THR A OG1 12 ATOM 6451 C CG2 . THR A 1 23 ? -4.325 -8.482 -10.629 1.00 0.00 ? 23 THR A CG2 12 ATOM 6452 H H . THR A 1 23 ? -2.402 -9.509 -8.645 1.00 0.00 ? 23 THR A H 12 ATOM 6453 H HA . THR A 1 23 ? -1.935 -9.826 -11.558 1.00 0.00 ? 23 THR A HA 12 ATOM 6454 H HB . THR A 1 23 ? -2.792 -7.688 -11.895 1.00 0.00 ? 23 THR A HB 12 ATOM 6455 H HG1 . THR A 1 23 ? -3.464 -6.640 -9.753 1.00 0.00 ? 23 THR A HG1 12 ATOM 6456 H HG21 . THR A 1 23 ? -4.558 -9.364 -11.225 1.00 0.00 ? 23 THR A HG21 12 ATOM 6457 H HG22 . THR A 1 23 ? -4.489 -8.704 -9.575 1.00 0.00 ? 23 THR A HG22 12 ATOM 6458 H HG23 . THR A 1 23 ? -4.989 -7.670 -10.927 1.00 0.00 ? 23 THR A HG23 12 ATOM 6459 N N . ASN A 1 24 ? 0.357 -8.760 -9.667 1.00 0.00 ? 24 ASN A N 12 ATOM 6460 C CA . ASN A 1 24 ? 1.685 -8.168 -9.460 1.00 0.00 ? 24 ASN A CA 12 ATOM 6461 C C . ASN A 1 24 ? 1.726 -6.621 -9.506 1.00 0.00 ? 24 ASN A C 12 ATOM 6462 O O . ASN A 1 24 ? 2.811 -6.033 -9.573 1.00 0.00 ? 24 ASN A O 12 ATOM 6463 C CB . ASN A 1 24 ? 2.739 -8.858 -10.352 1.00 0.00 ? 24 ASN A CB 12 ATOM 6464 C CG . ASN A 1 24 ? 2.811 -10.359 -10.122 1.00 0.00 ? 24 ASN A CG 12 ATOM 6465 O OD1 . ASN A 1 24 ? 3.152 -10.833 -9.047 1.00 0.00 ? 24 ASN A OD1 12 ATOM 6466 N ND2 . ASN A 1 24 ? 2.536 -11.157 -11.130 1.00 0.00 ? 24 ASN A ND2 12 ATOM 6467 H H . ASN A 1 24 ? -0.061 -9.202 -8.859 1.00 0.00 ? 24 ASN A H 12 ATOM 6468 H HA . ASN A 1 24 ? 1.955 -8.406 -8.432 1.00 0.00 ? 24 ASN A HA 12 ATOM 6469 H HB2 . ASN A 1 24 ? 2.523 -8.653 -11.402 1.00 0.00 ? 24 ASN A HB2 12 ATOM 6470 H HB3 . ASN A 1 24 ? 3.725 -8.450 -10.121 1.00 0.00 ? 24 ASN A HB3 12 ATOM 6471 H HD21 . ASN A 1 24 ? 2.265 -10.769 -12.023 1.00 0.00 ? 24 ASN A HD21 12 ATOM 6472 H HD22 . ASN A 1 24 ? 2.596 -12.156 -10.980 1.00 0.00 ? 24 ASN A HD22 12 ATOM 6473 N N . ALA A 1 25 ? 0.571 -5.942 -9.459 1.00 0.00 ? 25 ALA A N 12 ATOM 6474 C CA . ALA A 1 25 ? 0.496 -4.484 -9.334 1.00 0.00 ? 25 ALA A CA 12 ATOM 6475 C C . ALA A 1 25 ? 1.010 -3.989 -7.963 1.00 0.00 ? 25 ALA A C 12 ATOM 6476 O O . ALA A 1 25 ? 0.918 -4.699 -6.959 1.00 0.00 ? 25 ALA A O 12 ATOM 6477 C CB . ALA A 1 25 ? -0.949 -4.042 -9.591 1.00 0.00 ? 25 ALA A CB 12 ATOM 6478 H H . ALA A 1 25 ? -0.296 -6.463 -9.439 1.00 0.00 ? 25 ALA A H 12 ATOM 6479 H HA . ALA A 1 25 ? 1.126 -4.039 -10.107 1.00 0.00 ? 25 ALA A HA 12 ATOM 6480 H HB1 . ALA A 1 25 ? -1.609 -4.456 -8.826 1.00 0.00 ? 25 ALA A HB1 12 ATOM 6481 H HB2 . ALA A 1 25 ? -1.012 -2.954 -9.564 1.00 0.00 ? 25 ALA A HB2 12 ATOM 6482 H HB3 . ALA A 1 25 ? -1.274 -4.387 -10.573 1.00 0.00 ? 25 ALA A HB3 12 ATOM 6483 N N . SER A 1 26 ? 1.518 -2.754 -7.907 1.00 0.00 ? 26 SER A N 12 ATOM 6484 C CA . SER A 1 26 ? 2.023 -2.110 -6.682 1.00 0.00 ? 26 SER A CA 12 ATOM 6485 C C . SER A 1 26 ? 1.702 -0.607 -6.635 1.00 0.00 ? 26 SER A C 12 ATOM 6486 O O . SER A 1 26 ? 1.640 0.054 -7.678 1.00 0.00 ? 26 SER A O 12 ATOM 6487 C CB . SER A 1 26 ? 3.532 -2.340 -6.516 1.00 0.00 ? 26 SER A CB 12 ATOM 6488 O OG . SER A 1 26 ? 4.278 -1.783 -7.588 1.00 0.00 ? 26 SER A OG 12 ATOM 6489 H H . SER A 1 26 ? 1.569 -2.215 -8.761 1.00 0.00 ? 26 SER A H 12 ATOM 6490 H HA . SER A 1 26 ? 1.542 -2.591 -5.833 1.00 0.00 ? 26 SER A HA 12 ATOM 6491 H HB2 . SER A 1 26 ? 3.859 -1.891 -5.576 1.00 0.00 ? 26 SER A HB2 12 ATOM 6492 H HB3 . SER A 1 26 ? 3.727 -3.411 -6.468 1.00 0.00 ? 26 SER A HB3 12 ATOM 6493 H HG . SER A 1 26 ? 5.212 -1.999 -7.450 1.00 0.00 ? 26 SER A HG 12 ATOM 6494 N N . GLN A 1 27 ? 1.505 -0.054 -5.432 1.00 0.00 ? 27 GLN A N 12 ATOM 6495 C CA . GLN A 1 27 ? 1.232 1.373 -5.192 1.00 0.00 ? 27 GLN A CA 12 ATOM 6496 C C . GLN A 1 27 ? 1.767 1.892 -3.848 1.00 0.00 ? 27 GLN A C 12 ATOM 6497 O O . GLN A 1 27 ? 1.753 1.182 -2.842 1.00 0.00 ? 27 GLN A O 12 ATOM 6498 C CB . GLN A 1 27 ? -0.282 1.667 -5.212 1.00 0.00 ? 27 GLN A CB 12 ATOM 6499 C CG . GLN A 1 27 ? -0.942 1.653 -6.594 1.00 0.00 ? 27 GLN A CG 12 ATOM 6500 C CD . GLN A 1 27 ? -2.433 2.018 -6.592 1.00 0.00 ? 27 GLN A CD 12 ATOM 6501 O OE1 . GLN A 1 27 ? -3.120 1.878 -7.596 1.00 0.00 ? 27 GLN A OE1 12 ATOM 6502 N NE2 . GLN A 1 27 ? -2.992 2.562 -5.529 1.00 0.00 ? 27 GLN A NE2 12 ATOM 6503 H H . GLN A 1 27 ? 1.554 -0.661 -4.618 1.00 0.00 ? 27 GLN A H 12 ATOM 6504 H HA . GLN A 1 27 ? 1.708 1.962 -5.979 1.00 0.00 ? 27 GLN A HA 12 ATOM 6505 H HB2 . GLN A 1 27 ? -0.794 0.964 -4.552 1.00 0.00 ? 27 GLN A HB2 12 ATOM 6506 H HB3 . GLN A 1 27 ? -0.414 2.675 -4.821 1.00 0.00 ? 27 GLN A HB3 12 ATOM 6507 H HG2 . GLN A 1 27 ? -0.420 2.384 -7.211 1.00 0.00 ? 27 GLN A HG2 12 ATOM 6508 H HG3 . GLN A 1 27 ? -0.840 0.662 -7.031 1.00 0.00 ? 27 GLN A HG3 12 ATOM 6509 H HE21 . GLN A 1 27 ? -2.464 2.680 -4.666 1.00 0.00 ? 27 GLN A HE21 12 ATOM 6510 H HE22 . GLN A 1 27 ? -3.959 2.846 -5.588 1.00 0.00 ? 27 GLN A HE22 12 ATOM 6511 N N . PHE A 1 28 ? 2.175 3.166 -3.820 1.00 0.00 ? 28 PHE A N 12 ATOM 6512 C CA . PHE A 1 28 ? 2.503 3.902 -2.588 1.00 0.00 ? 28 PHE A CA 12 ATOM 6513 C C . PHE A 1 28 ? 1.301 4.502 -1.833 1.00 0.00 ? 28 PHE A C 12 ATOM 6514 O O . PHE A 1 28 ? 1.382 4.803 -0.641 1.00 0.00 ? 28 PHE A O 12 ATOM 6515 C CB . PHE A 1 28 ? 3.624 4.920 -2.840 1.00 0.00 ? 28 PHE A CB 12 ATOM 6516 C CG . PHE A 1 28 ? 5.004 4.301 -2.964 1.00 0.00 ? 28 PHE A CG 12 ATOM 6517 C CD1 . PHE A 1 28 ? 5.516 3.964 -4.232 1.00 0.00 ? 28 PHE A CD1 12 ATOM 6518 C CD2 . PHE A 1 28 ? 5.777 4.060 -1.811 1.00 0.00 ? 28 PHE A CD2 12 ATOM 6519 C CE1 . PHE A 1 28 ? 6.797 3.394 -4.348 1.00 0.00 ? 28 PHE A CE1 12 ATOM 6520 C CE2 . PHE A 1 28 ? 7.060 3.496 -1.929 1.00 0.00 ? 28 PHE A CE2 12 ATOM 6521 C CZ . PHE A 1 28 ? 7.569 3.163 -3.197 1.00 0.00 ? 28 PHE A CZ 12 ATOM 6522 H H . PHE A 1 28 ? 2.194 3.680 -4.689 1.00 0.00 ? 28 PHE A H 12 ATOM 6523 H HA . PHE A 1 28 ? 2.920 3.179 -1.885 1.00 0.00 ? 28 PHE A HA 12 ATOM 6524 H HB2 . PHE A 1 28 ? 3.395 5.494 -3.742 1.00 0.00 ? 28 PHE A HB2 12 ATOM 6525 H HB3 . PHE A 1 28 ? 3.654 5.619 -2.000 1.00 0.00 ? 28 PHE A HB3 12 ATOM 6526 H HD1 . PHE A 1 28 ? 4.927 4.144 -5.121 1.00 0.00 ? 28 PHE A HD1 12 ATOM 6527 H HD2 . PHE A 1 28 ? 5.388 4.311 -0.834 1.00 0.00 ? 28 PHE A HD2 12 ATOM 6528 H HE1 . PHE A 1 28 ? 7.188 3.135 -5.323 1.00 0.00 ? 28 PHE A HE1 12 ATOM 6529 H HE2 . PHE A 1 28 ? 7.653 3.316 -1.043 1.00 0.00 ? 28 PHE A HE2 12 ATOM 6530 H HZ . PHE A 1 28 ? 8.552 2.722 -3.287 1.00 0.00 ? 28 PHE A HZ 12 ATOM 6531 N N . GLU A 1 29 ? 0.174 4.650 -2.536 1.00 0.00 ? 29 GLU A N 12 ATOM 6532 C CA . GLU A 1 29 ? -1.139 5.068 -2.017 1.00 0.00 ? 29 GLU A CA 12 ATOM 6533 C C . GLU A 1 29 ? -2.120 3.880 -2.050 1.00 0.00 ? 29 GLU A C 12 ATOM 6534 O O . GLU A 1 29 ? -1.952 2.971 -2.869 1.00 0.00 ? 29 GLU A O 12 ATOM 6535 C CB . GLU A 1 29 ? -1.628 6.267 -2.849 1.00 0.00 ? 29 GLU A CB 12 ATOM 6536 C CG . GLU A 1 29 ? -2.983 6.838 -2.394 1.00 0.00 ? 29 GLU A CG 12 ATOM 6537 C CD . GLU A 1 29 ? -3.381 8.152 -3.102 1.00 0.00 ? 29 GLU A CD 12 ATOM 6538 O OE1 . GLU A 1 29 ? -2.615 8.692 -3.941 1.00 0.00 ? 29 GLU A OE1 12 ATOM 6539 O OE2 . GLU A 1 29 ? -4.490 8.668 -2.816 1.00 0.00 ? 29 GLU A OE2 12 ATOM 6540 H H . GLU A 1 29 ? 0.191 4.333 -3.497 1.00 0.00 ? 29 GLU A H 12 ATOM 6541 H HA . GLU A 1 29 ? -1.042 5.391 -0.979 1.00 0.00 ? 29 GLU A HA 12 ATOM 6542 H HB2 . GLU A 1 29 ? -0.876 7.053 -2.772 1.00 0.00 ? 29 GLU A HB2 12 ATOM 6543 H HB3 . GLU A 1 29 ? -1.706 5.961 -3.895 1.00 0.00 ? 29 GLU A HB3 12 ATOM 6544 H HG2 . GLU A 1 29 ? -3.760 6.093 -2.582 1.00 0.00 ? 29 GLU A HG2 12 ATOM 6545 H HG3 . GLU A 1 29 ? -2.937 7.015 -1.317 1.00 0.00 ? 29 GLU A HG3 12 ATOM 6546 N N . ARG A 1 30 ? -3.140 3.848 -1.178 1.00 0.00 ? 30 ARG A N 12 ATOM 6547 C CA . ARG A 1 30 ? -4.019 2.669 -1.063 1.00 0.00 ? 30 ARG A CA 12 ATOM 6548 C C . ARG A 1 30 ? -4.768 2.344 -2.378 1.00 0.00 ? 30 ARG A C 12 ATOM 6549 O O . ARG A 1 30 ? -5.150 3.258 -3.117 1.00 0.00 ? 30 ARG A O 12 ATOM 6550 C CB . ARG A 1 30 ? -4.965 2.767 0.146 1.00 0.00 ? 30 ARG A CB 12 ATOM 6551 C CG . ARG A 1 30 ? -6.121 3.780 0.009 1.00 0.00 ? 30 ARG A CG 12 ATOM 6552 C CD . ARG A 1 30 ? -7.422 3.243 0.619 1.00 0.00 ? 30 ARG A CD 12 ATOM 6553 N NE . ARG A 1 30 ? -7.937 2.062 -0.115 1.00 0.00 ? 30 ARG A NE 12 ATOM 6554 C CZ . ARG A 1 30 ? -8.613 1.047 0.389 1.00 0.00 ? 30 ARG A CZ 12 ATOM 6555 N NH1 . ARG A 1 30 ? -8.906 0.935 1.652 1.00 0.00 ? 30 ARG A NH1 12 ATOM 6556 N NH2 . ARG A 1 30 ? -9.021 0.099 -0.396 1.00 0.00 ? 30 ARG A NH2 12 ATOM 6557 H H . ARG A 1 30 ? -3.263 4.619 -0.535 1.00 0.00 ? 30 ARG A H 12 ATOM 6558 H HA . ARG A 1 30 ? -3.351 1.833 -0.862 1.00 0.00 ? 30 ARG A HA 12 ATOM 6559 H HB2 . ARG A 1 30 ? -5.375 1.772 0.320 1.00 0.00 ? 30 ARG A HB2 12 ATOM 6560 H HB3 . ARG A 1 30 ? -4.386 3.017 1.036 1.00 0.00 ? 30 ARG A HB3 12 ATOM 6561 H HG2 . ARG A 1 30 ? -5.836 4.697 0.529 1.00 0.00 ? 30 ARG A HG2 12 ATOM 6562 H HG3 . ARG A 1 30 ? -6.318 4.025 -1.034 1.00 0.00 ? 30 ARG A HG3 12 ATOM 6563 H HD2 . ARG A 1 30 ? -7.233 2.996 1.664 1.00 0.00 ? 30 ARG A HD2 12 ATOM 6564 H HD3 . ARG A 1 30 ? -8.175 4.034 0.586 1.00 0.00 ? 30 ARG A HD3 12 ATOM 6565 H HE . ARG A 1 30 ? -7.748 1.993 -1.112 1.00 0.00 ? 30 ARG A HE 12 ATOM 6566 H HH11 . ARG A 1 30 ? -8.625 1.653 2.296 1.00 0.00 ? 30 ARG A HH11 12 ATOM 6567 H HH12 . ARG A 1 30 ? -9.343 0.082 1.984 1.00 0.00 ? 30 ARG A HH12 12 ATOM 6568 H HH21 . ARG A 1 30 ? -8.811 0.174 -1.385 1.00 0.00 ? 30 ARG A HH21 12 ATOM 6569 H HH22 . ARG A 1 30 ? -9.597 -0.638 -0.027 1.00 0.00 ? 30 ARG A HH22 12 ATOM 6570 N N . PRO A 1 31 ? -4.995 1.054 -2.684 1.00 0.00 ? 31 PRO A N 12 ATOM 6571 C CA . PRO A 1 31 ? -5.674 0.606 -3.901 1.00 0.00 ? 31 PRO A CA 12 ATOM 6572 C C . PRO A 1 31 ? -7.191 0.842 -3.892 1.00 0.00 ? 31 PRO A C 12 ATOM 6573 O O . PRO A 1 31 ? -7.814 0.970 -2.833 1.00 0.00 ? 31 PRO A O 12 ATOM 6574 C CB . PRO A 1 31 ? -5.358 -0.886 -3.998 1.00 0.00 ? 31 PRO A CB 12 ATOM 6575 C CG . PRO A 1 31 ? -5.186 -1.304 -2.542 1.00 0.00 ? 31 PRO A CG 12 ATOM 6576 C CD . PRO A 1 31 ? -4.516 -0.089 -1.925 1.00 0.00 ? 31 PRO A CD 12 ATOM 6577 H HA . PRO A 1 31 ? -5.254 1.114 -4.768 1.00 0.00 ? 31 PRO A HA 12 ATOM 6578 H HB2 . PRO A 1 31 ? -6.164 -1.440 -4.475 1.00 0.00 ? 31 PRO A HB2 12 ATOM 6579 H HB3 . PRO A 1 31 ? -4.417 -1.020 -4.535 1.00 0.00 ? 31 PRO A HB3 12 ATOM 6580 H HG2 . PRO A 1 31 ? -6.163 -1.447 -2.083 1.00 0.00 ? 31 PRO A HG2 12 ATOM 6581 H HG3 . PRO A 1 31 ? -4.567 -2.191 -2.434 1.00 0.00 ? 31 PRO A HG3 12 ATOM 6582 H HD2 . PRO A 1 31 ? -4.779 -0.007 -0.870 1.00 0.00 ? 31 PRO A HD2 12 ATOM 6583 H HD3 . PRO A 1 31 ? -3.436 -0.169 -2.047 1.00 0.00 ? 31 PRO A HD3 12 ATOM 6584 N N . SER A 1 32 ? -7.794 0.830 -5.084 1.00 0.00 ? 32 SER A N 12 ATOM 6585 C CA . SER A 1 32 ? -9.243 0.993 -5.314 1.00 0.00 ? 32 SER A CA 12 ATOM 6586 C C . SER A 1 32 ? -9.871 -0.058 -6.251 1.00 0.00 ? 32 SER A C 12 ATOM 6587 O O . SER A 1 32 ? -11.100 -0.125 -6.352 1.00 0.00 ? 32 SER A O 12 ATOM 6588 C CB . SER A 1 32 ? -9.512 2.410 -5.839 1.00 0.00 ? 32 SER A CB 12 ATOM 6589 O OG . SER A 1 32 ? -8.851 2.622 -7.079 1.00 0.00 ? 32 SER A OG 12 ATOM 6590 H H . SER A 1 32 ? -7.201 0.796 -5.902 1.00 0.00 ? 32 SER A H 12 ATOM 6591 H HA . SER A 1 32 ? -9.763 0.899 -4.360 1.00 0.00 ? 32 SER A HA 12 ATOM 6592 H HB2 . SER A 1 32 ? -10.587 2.551 -5.968 1.00 0.00 ? 32 SER A HB2 12 ATOM 6593 H HB3 . SER A 1 32 ? -9.153 3.136 -5.107 1.00 0.00 ? 32 SER A HB3 12 ATOM 6594 H HG . SER A 1 32 ? -9.033 3.531 -7.362 1.00 0.00 ? 32 SER A HG 12 ATOM 6595 N N . GLY A 1 33 ? -9.062 -0.900 -6.913 1.00 0.00 ? 33 GLY A N 12 ATOM 6596 C CA . GLY A 1 33 ? -9.507 -1.986 -7.804 1.00 0.00 ? 33 GLY A CA 12 ATOM 6597 C C . GLY A 1 33 ? -8.364 -2.609 -8.603 1.00 0.00 ? 33 GLY A C 12 ATOM 6598 O O . GLY A 1 33 ? -7.567 -3.363 -8.003 1.00 0.00 ? 33 GLY A O 12 ATOM 6599 O OXT . GLY A 1 33 ? -8.276 -2.333 -9.819 1.00 0.00 ? 33 GLY A OXT 12 ATOM 6600 H H . GLY A 1 33 ? -8.068 -0.799 -6.773 1.00 0.00 ? 33 GLY A H 12 ATOM 6601 H HA2 . GLY A 1 33 ? -9.972 -2.775 -7.214 1.00 0.00 ? 33 GLY A HA2 12 ATOM 6602 H HA3 . GLY A 1 33 ? -10.248 -1.606 -8.507 1.00 0.00 ? 33 GLY A HA3 12 HETATM 6603 C C1 . GAL B 2 . ? 12.341 2.142 0.099 1.00 0.00 ? 101 GAL A C1 12 HETATM 6604 C C2 . GAL B 2 . ? 12.037 3.620 -0.246 1.00 0.00 ? 101 GAL A C2 12 HETATM 6605 C C3 . GAL B 2 . ? 11.084 3.712 -1.453 1.00 0.00 ? 101 GAL A C3 12 HETATM 6606 C C4 . GAL B 2 . ? 11.608 2.898 -2.647 1.00 0.00 ? 101 GAL A C4 12 HETATM 6607 C C5 . GAL B 2 . ? 11.850 1.438 -2.224 1.00 0.00 ? 101 GAL A C5 12 HETATM 6608 C C6 . GAL B 2 . ? 12.347 0.507 -3.342 1.00 0.00 ? 101 GAL A C6 12 HETATM 6609 O O2 . GAL B 2 . ? 11.413 4.279 0.891 1.00 0.00 ? 101 GAL A O2 12 HETATM 6610 O O3 . GAL B 2 . ? 10.951 5.096 -1.871 1.00 0.00 ? 101 GAL A O3 12 HETATM 6611 O O4 . GAL B 2 . ? 12.857 3.483 -3.087 1.00 0.00 ? 101 GAL A O4 12 HETATM 6612 O O5 . GAL B 2 . ? 12.801 1.411 -1.088 1.00 0.00 ? 101 GAL A O5 12 HETATM 6613 O O6 . GAL B 2 . ? 13.609 0.977 -3.868 1.00 0.00 ? 101 GAL A O6 12 HETATM 6614 H H1 . GAL B 2 . ? 11.441 1.659 0.480 1.00 0.00 ? 101 GAL A H1 12 HETATM 6615 H H2 . GAL B 2 . ? 12.971 4.134 -0.477 1.00 0.00 ? 101 GAL A H2 12 HETATM 6616 H H3 . GAL B 2 . ? 10.102 3.335 -1.164 1.00 0.00 ? 101 GAL A H3 12 HETATM 6617 H H4 . GAL B 2 . ? 10.891 2.928 -3.468 1.00 0.00 ? 101 GAL A H4 12 HETATM 6618 H H5 . GAL B 2 . ? 10.901 1.037 -1.873 1.00 0.00 ? 101 GAL A H5 12 HETATM 6619 H H61 . GAL B 2 . ? 12.479 -0.502 -2.948 1.00 0.00 ? 101 GAL A H61 12 HETATM 6620 H H62 . GAL B 2 . ? 11.612 0.473 -4.151 1.00 0.00 ? 101 GAL A H62 12 HETATM 6621 H HO2 . GAL B 2 . ? 11.194 5.178 0.599 1.00 0.00 ? 101 GAL A HO2 12 HETATM 6622 H HO3 . GAL B 2 . ? 11.708 5.279 -2.453 1.00 0.00 ? 101 GAL A HO3 12 HETATM 6623 H HO4 . GAL B 2 . ? 13.376 2.752 -3.481 1.00 0.00 ? 101 GAL A HO4 12 HETATM 6624 H HO6 . GAL B 2 . ? 13.943 0.310 -4.488 1.00 0.00 ? 101 GAL A HO6 12 ATOM 6625 N N . LYS A 1 1 ? -11.576 -5.418 4.048 1.00 0.00 ? 1 LYS A N 13 ATOM 6626 C CA . LYS A 1 1 ? -10.116 -5.251 3.808 1.00 0.00 ? 1 LYS A CA 13 ATOM 6627 C C . LYS A 1 1 ? -9.856 -4.488 2.495 1.00 0.00 ? 1 LYS A C 13 ATOM 6628 O O . LYS A 1 1 ? -10.775 -3.915 1.905 1.00 0.00 ? 1 LYS A O 13 ATOM 6629 C CB . LYS A 1 1 ? -9.373 -6.612 3.875 1.00 0.00 ? 1 LYS A CB 13 ATOM 6630 C CG . LYS A 1 1 ? -9.778 -7.643 2.798 1.00 0.00 ? 1 LYS A CG 13 ATOM 6631 C CD . LYS A 1 1 ? -8.724 -8.748 2.598 1.00 0.00 ? 1 LYS A CD 13 ATOM 6632 C CE . LYS A 1 1 ? -7.429 -8.289 1.900 1.00 0.00 ? 1 LYS A CE 13 ATOM 6633 N NZ . LYS A 1 1 ? -7.624 -7.997 0.454 1.00 0.00 ? 1 LYS A NZ 13 ATOM 6634 H H1 . LYS A 1 1 ? -11.996 -5.985 3.326 1.00 0.00 ? 1 LYS A H1 13 ATOM 6635 H H2 . LYS A 1 1 ? -12.038 -4.519 4.046 1.00 0.00 ? 1 LYS A H2 13 ATOM 6636 H H3 . LYS A 1 1 ? -11.741 -5.858 4.941 1.00 0.00 ? 1 LYS A H3 13 ATOM 6637 H HA . LYS A 1 1 ? -9.720 -4.623 4.607 1.00 0.00 ? 1 LYS A HA 13 ATOM 6638 H HB2 . LYS A 1 1 ? -8.303 -6.423 3.813 1.00 0.00 ? 1 LYS A HB2 13 ATOM 6639 H HB3 . LYS A 1 1 ? -9.546 -7.058 4.856 1.00 0.00 ? 1 LYS A HB3 13 ATOM 6640 H HG2 . LYS A 1 1 ? -10.715 -8.110 3.105 1.00 0.00 ? 1 LYS A HG2 13 ATOM 6641 H HG3 . LYS A 1 1 ? -9.957 -7.151 1.846 1.00 0.00 ? 1 LYS A HG3 13 ATOM 6642 H HD2 . LYS A 1 1 ? -8.465 -9.161 3.574 1.00 0.00 ? 1 LYS A HD2 13 ATOM 6643 H HD3 . LYS A 1 1 ? -9.169 -9.555 2.013 1.00 0.00 ? 1 LYS A HD3 13 ATOM 6644 H HE2 . LYS A 1 1 ? -7.029 -7.409 2.409 1.00 0.00 ? 1 LYS A HE2 13 ATOM 6645 H HE3 . LYS A 1 1 ? -6.686 -9.086 2.002 1.00 0.00 ? 1 LYS A HE3 13 ATOM 6646 H HZ1 . LYS A 1 1 ? -8.319 -7.272 0.298 1.00 0.00 ? 1 LYS A HZ1 13 ATOM 6647 H HZ2 . LYS A 1 1 ? -6.750 -7.687 0.033 1.00 0.00 ? 1 LYS A HZ2 13 ATOM 6648 H HZ3 . LYS A 1 1 ? -7.926 -8.822 -0.045 1.00 0.00 ? 1 LYS A HZ3 13 ATOM 6649 N N . LEU A 1 2 ? -8.599 -4.473 2.034 1.00 0.00 ? 2 LEU A N 13 ATOM 6650 C CA . LEU A 1 2 ? -8.165 -3.986 0.712 1.00 0.00 ? 2 LEU A CA 13 ATOM 6651 C C . LEU A 1 2 ? -8.880 -4.720 -0.452 1.00 0.00 ? 2 LEU A C 13 ATOM 6652 O O . LEU A 1 2 ? -9.403 -5.819 -0.230 1.00 0.00 ? 2 LEU A O 13 ATOM 6653 C CB . LEU A 1 2 ? -6.639 -4.192 0.621 1.00 0.00 ? 2 LEU A CB 13 ATOM 6654 C CG . LEU A 1 2 ? -5.818 -3.284 1.551 1.00 0.00 ? 2 LEU A CG 13 ATOM 6655 C CD1 . LEU A 1 2 ? -4.428 -3.882 1.744 1.00 0.00 ? 2 LEU A CD1 13 ATOM 6656 C CD2 . LEU A 1 2 ? -5.659 -1.890 0.950 1.00 0.00 ? 2 LEU A CD2 13 ATOM 6657 H H . LEU A 1 2 ? -7.893 -4.905 2.614 1.00 0.00 ? 2 LEU A H 13 ATOM 6658 H HA . LEU A 1 2 ? -8.396 -2.923 0.643 1.00 0.00 ? 2 LEU A HA 13 ATOM 6659 H HB2 . LEU A 1 2 ? -6.430 -5.236 0.867 1.00 0.00 ? 2 LEU A HB2 13 ATOM 6660 H HB3 . LEU A 1 2 ? -6.307 -4.012 -0.401 1.00 0.00 ? 2 LEU A HB3 13 ATOM 6661 H HG . LEU A 1 2 ? -6.296 -3.204 2.526 1.00 0.00 ? 2 LEU A HG 13 ATOM 6662 H HD11 . LEU A 1 2 ? -4.517 -4.856 2.226 1.00 0.00 ? 2 LEU A HD11 13 ATOM 6663 H HD12 . LEU A 1 2 ? -3.936 -3.997 0.777 1.00 0.00 ? 2 LEU A HD12 13 ATOM 6664 H HD13 . LEU A 1 2 ? -3.836 -3.228 2.382 1.00 0.00 ? 2 LEU A HD13 13 ATOM 6665 H HD21 . LEU A 1 2 ? -5.089 -1.961 0.025 1.00 0.00 ? 2 LEU A HD21 13 ATOM 6666 H HD22 . LEU A 1 2 ? -6.635 -1.452 0.744 1.00 0.00 ? 2 LEU A HD22 13 ATOM 6667 H HD23 . LEU A 1 2 ? -5.128 -1.247 1.651 1.00 0.00 ? 2 LEU A HD23 13 ATOM 6668 N N . PRO A 1 3 ? -8.891 -4.179 -1.690 1.00 0.00 ? 3 PRO A N 13 ATOM 6669 C CA . PRO A 1 3 ? -9.616 -4.775 -2.823 1.00 0.00 ? 3 PRO A CA 13 ATOM 6670 C C . PRO A 1 3 ? -9.062 -6.154 -3.260 1.00 0.00 ? 3 PRO A C 13 ATOM 6671 O O . PRO A 1 3 ? -8.022 -6.588 -2.749 1.00 0.00 ? 3 PRO A O 13 ATOM 6672 C CB . PRO A 1 3 ? -9.560 -3.734 -3.953 1.00 0.00 ? 3 PRO A CB 13 ATOM 6673 C CG . PRO A 1 3 ? -9.071 -2.446 -3.296 1.00 0.00 ? 3 PRO A CG 13 ATOM 6674 C CD . PRO A 1 3 ? -8.259 -2.937 -2.107 1.00 0.00 ? 3 PRO A CD 13 ATOM 6675 H HA . PRO A 1 3 ? -10.657 -4.900 -2.524 1.00 0.00 ? 3 PRO A HA 13 ATOM 6676 H HB2 . PRO A 1 3 ? -8.848 -4.038 -4.721 1.00 0.00 ? 3 PRO A HB2 13 ATOM 6677 H HB3 . PRO A 1 3 ? -10.546 -3.589 -4.397 1.00 0.00 ? 3 PRO A HB3 13 ATOM 6678 H HG2 . PRO A 1 3 ? -8.453 -1.867 -3.982 1.00 0.00 ? 3 PRO A HG2 13 ATOM 6679 H HG3 . PRO A 1 3 ? -9.924 -1.862 -2.945 1.00 0.00 ? 3 PRO A HG3 13 ATOM 6680 H HD2 . PRO A 1 3 ? -7.240 -3.148 -2.436 1.00 0.00 ? 3 PRO A HD2 13 ATOM 6681 H HD3 . PRO A 1 3 ? -8.247 -2.183 -1.321 1.00 0.00 ? 3 PRO A HD3 13 ATOM 6682 N N . PRO A 1 4 ? -9.717 -6.863 -4.204 1.00 0.00 ? 4 PRO A N 13 ATOM 6683 C CA . PRO A 1 4 ? -9.357 -8.231 -4.592 1.00 0.00 ? 4 PRO A CA 13 ATOM 6684 C C . PRO A 1 4 ? -7.873 -8.420 -4.951 1.00 0.00 ? 4 PRO A C 13 ATOM 6685 O O . PRO A 1 4 ? -7.340 -7.790 -5.868 1.00 0.00 ? 4 PRO A O 13 ATOM 6686 C CB . PRO A 1 4 ? -10.290 -8.589 -5.754 1.00 0.00 ? 4 PRO A CB 13 ATOM 6687 C CG . PRO A 1 4 ? -11.542 -7.774 -5.436 1.00 0.00 ? 4 PRO A CG 13 ATOM 6688 C CD . PRO A 1 4 ? -10.961 -6.483 -4.863 1.00 0.00 ? 4 PRO A CD 13 ATOM 6689 H HA . PRO A 1 4 ? -9.602 -8.884 -3.753 1.00 0.00 ? 4 PRO A HA 13 ATOM 6690 H HB2 . PRO A 1 4 ? -9.869 -8.248 -6.702 1.00 0.00 ? 4 PRO A HB2 13 ATOM 6691 H HB3 . PRO A 1 4 ? -10.502 -9.659 -5.789 1.00 0.00 ? 4 PRO A HB3 13 ATOM 6692 H HG2 . PRO A 1 4 ? -12.143 -7.587 -6.328 1.00 0.00 ? 4 PRO A HG2 13 ATOM 6693 H HG3 . PRO A 1 4 ? -12.130 -8.285 -4.672 1.00 0.00 ? 4 PRO A HG3 13 ATOM 6694 H HD2 . PRO A 1 4 ? -10.741 -5.789 -5.677 1.00 0.00 ? 4 PRO A HD2 13 ATOM 6695 H HD3 . PRO A 1 4 ? -11.672 -6.037 -4.167 1.00 0.00 ? 4 PRO A HD3 13 ATOM 6696 N N . GLY A 1 5 ? -7.202 -9.299 -4.201 1.00 0.00 ? 5 GLY A N 13 ATOM 6697 C CA . GLY A 1 5 ? -5.777 -9.623 -4.331 1.00 0.00 ? 5 GLY A CA 13 ATOM 6698 C C . GLY A 1 5 ? -4.791 -8.609 -3.729 1.00 0.00 ? 5 GLY A C 13 ATOM 6699 O O . GLY A 1 5 ? -3.615 -8.947 -3.589 1.00 0.00 ? 5 GLY A O 13 ATOM 6700 H H . GLY A 1 5 ? -7.715 -9.774 -3.472 1.00 0.00 ? 5 GLY A H 13 ATOM 6701 H HA2 . GLY A 1 5 ? -5.600 -10.581 -3.839 1.00 0.00 ? 5 GLY A HA2 13 ATOM 6702 H HA3 . GLY A 1 5 ? -5.537 -9.733 -5.391 1.00 0.00 ? 5 GLY A HA3 13 ATOM 6703 N N . TRP A 1 6 ? -5.222 -7.405 -3.337 1.00 0.00 ? 6 TRP A N 13 ATOM 6704 C CA . TRP A 1 6 ? -4.368 -6.421 -2.656 1.00 0.00 ? 6 TRP A CA 13 ATOM 6705 C C . TRP A 1 6 ? -4.088 -6.768 -1.186 1.00 0.00 ? 6 TRP A C 13 ATOM 6706 O O . TRP A 1 6 ? -5.001 -7.123 -0.435 1.00 0.00 ? 6 TRP A O 13 ATOM 6707 C CB . TRP A 1 6 ? -4.946 -5.005 -2.753 1.00 0.00 ? 6 TRP A CB 13 ATOM 6708 C CG . TRP A 1 6 ? -4.930 -4.339 -4.094 1.00 0.00 ? 6 TRP A CG 13 ATOM 6709 C CD1 . TRP A 1 6 ? -5.922 -4.405 -5.010 1.00 0.00 ? 6 TRP A CD1 13 ATOM 6710 C CD2 . TRP A 1 6 ? -3.822 -3.664 -4.773 1.00 0.00 ? 6 TRP A CD2 13 ATOM 6711 N NE1 . TRP A 1 6 ? -5.564 -3.706 -6.145 1.00 0.00 ? 6 TRP A NE1 13 ATOM 6712 C CE2 . TRP A 1 6 ? -4.266 -3.248 -6.066 1.00 0.00 ? 6 TRP A CE2 13 ATOM 6713 C CE3 . TRP A 1 6 ? -2.499 -3.326 -4.411 1.00 0.00 ? 6 TRP A CE3 13 ATOM 6714 C CZ2 . TRP A 1 6 ? -3.443 -2.537 -6.951 1.00 0.00 ? 6 TRP A CZ2 13 ATOM 6715 C CZ3 . TRP A 1 6 ? -1.666 -2.609 -5.293 1.00 0.00 ? 6 TRP A CZ3 13 ATOM 6716 C CH2 . TRP A 1 6 ? -2.133 -2.216 -6.559 1.00 0.00 ? 6 TRP A CH2 13 ATOM 6717 H H . TRP A 1 6 ? -6.208 -7.190 -3.426 1.00 0.00 ? 6 TRP A H 13 ATOM 6718 H HA . TRP A 1 6 ? -3.406 -6.396 -3.164 1.00 0.00 ? 6 TRP A HA 13 ATOM 6719 H HB2 . TRP A 1 6 ? -5.974 -5.029 -2.391 1.00 0.00 ? 6 TRP A HB2 13 ATOM 6720 H HB3 . TRP A 1 6 ? -4.372 -4.361 -2.080 1.00 0.00 ? 6 TRP A HB3 13 ATOM 6721 H HD1 . TRP A 1 6 ? -6.874 -4.896 -4.850 1.00 0.00 ? 6 TRP A HD1 13 ATOM 6722 H HE1 . TRP A 1 6 ? -6.213 -3.505 -6.902 1.00 0.00 ? 6 TRP A HE1 13 ATOM 6723 H HE3 . TRP A 1 6 ? -2.138 -3.607 -3.431 1.00 0.00 ? 6 TRP A HE3 13 ATOM 6724 H HZ2 . TRP A 1 6 ? -3.818 -2.240 -7.921 1.00 0.00 ? 6 TRP A HZ2 13 ATOM 6725 H HZ3 . TRP A 1 6 ? -0.661 -2.345 -4.995 1.00 0.00 ? 6 TRP A HZ3 13 ATOM 6726 H HH2 . TRP A 1 6 ? -1.486 -1.662 -7.228 1.00 0.00 ? 6 TRP A HH2 13 ATOM 6727 N N . GLU A 1 7 ? -2.835 -6.591 -0.767 1.00 0.00 ? 7 GLU A N 13 ATOM 6728 C CA . GLU A 1 7 ? -2.329 -6.738 0.604 1.00 0.00 ? 7 GLU A CA 13 ATOM 6729 C C . GLU A 1 7 ? -1.219 -5.704 0.897 1.00 0.00 ? 7 GLU A C 13 ATOM 6730 O O . GLU A 1 7 ? -0.592 -5.172 -0.025 1.00 0.00 ? 7 GLU A O 13 ATOM 6731 C CB . GLU A 1 7 ? -1.801 -8.171 0.828 1.00 0.00 ? 7 GLU A CB 13 ATOM 6732 C CG . GLU A 1 7 ? -2.910 -9.238 0.841 1.00 0.00 ? 7 GLU A CG 13 ATOM 6733 C CD . GLU A 1 7 ? -2.435 -10.629 1.314 1.00 0.00 ? 7 GLU A CD 13 ATOM 6734 O OE1 . GLU A 1 7 ? -1.211 -10.872 1.471 1.00 0.00 ? 7 GLU A OE1 13 ATOM 6735 O OE2 . GLU A 1 7 ? -3.303 -11.509 1.536 1.00 0.00 ? 7 GLU A OE2 13 ATOM 6736 H H . GLU A 1 7 ? -2.139 -6.344 -1.465 1.00 0.00 ? 7 GLU A H 13 ATOM 6737 H HA . GLU A 1 7 ? -3.138 -6.557 1.312 1.00 0.00 ? 7 GLU A HA 13 ATOM 6738 H HB2 . GLU A 1 7 ? -1.078 -8.419 0.049 1.00 0.00 ? 7 GLU A HB2 13 ATOM 6739 H HB3 . GLU A 1 7 ? -1.296 -8.195 1.795 1.00 0.00 ? 7 GLU A HB3 13 ATOM 6740 H HG2 . GLU A 1 7 ? -3.708 -8.897 1.505 1.00 0.00 ? 7 GLU A HG2 13 ATOM 6741 H HG3 . GLU A 1 7 ? -3.322 -9.333 -0.167 1.00 0.00 ? 7 GLU A HG3 13 ATOM 6742 N N . LYS A 1 8 ? -0.947 -5.413 2.177 1.00 0.00 ? 8 LYS A N 13 ATOM 6743 C CA . LYS A 1 8 ? 0.224 -4.613 2.591 1.00 0.00 ? 8 LYS A CA 13 ATOM 6744 C C . LYS A 1 8 ? 1.545 -5.372 2.442 1.00 0.00 ? 8 LYS A C 13 ATOM 6745 O O . LYS A 1 8 ? 1.613 -6.584 2.667 1.00 0.00 ? 8 LYS A O 13 ATOM 6746 C CB . LYS A 1 8 ? 0.062 -4.044 4.010 1.00 0.00 ? 8 LYS A CB 13 ATOM 6747 C CG . LYS A 1 8 ? -0.848 -2.808 3.993 1.00 0.00 ? 8 LYS A CG 13 ATOM 6748 C CD . LYS A 1 8 ? -1.128 -2.245 5.393 1.00 0.00 ? 8 LYS A CD 13 ATOM 6749 C CE . LYS A 1 8 ? 0.119 -1.602 6.016 1.00 0.00 ? 8 LYS A CE 13 ATOM 6750 N NZ . LYS A 1 8 ? -0.171 -1.054 7.366 1.00 0.00 ? 8 LYS A NZ 13 ATOM 6751 H H . LYS A 1 8 ? -1.491 -5.869 2.899 1.00 0.00 ? 8 LYS A H 13 ATOM 6752 H HA . LYS A 1 8 ? 0.299 -3.762 1.910 1.00 0.00 ? 8 LYS A HA 13 ATOM 6753 H HB2 . LYS A 1 8 ? -0.346 -4.808 4.672 1.00 0.00 ? 8 LYS A HB2 13 ATOM 6754 H HB3 . LYS A 1 8 ? 1.041 -3.745 4.389 1.00 0.00 ? 8 LYS A HB3 13 ATOM 6755 H HG2 . LYS A 1 8 ? -0.383 -2.028 3.383 1.00 0.00 ? 8 LYS A HG2 13 ATOM 6756 H HG3 . LYS A 1 8 ? -1.795 -3.090 3.537 1.00 0.00 ? 8 LYS A HG3 13 ATOM 6757 H HD2 . LYS A 1 8 ? -1.907 -1.486 5.308 1.00 0.00 ? 8 LYS A HD2 13 ATOM 6758 H HD3 . LYS A 1 8 ? -1.495 -3.045 6.038 1.00 0.00 ? 8 LYS A HD3 13 ATOM 6759 H HE2 . LYS A 1 8 ? 0.921 -2.345 6.084 1.00 0.00 ? 8 LYS A HE2 13 ATOM 6760 H HE3 . LYS A 1 8 ? 0.464 -0.801 5.358 1.00 0.00 ? 8 LYS A HE3 13 ATOM 6761 H HZ1 . LYS A 1 8 ? 0.652 -0.628 7.773 1.00 0.00 ? 8 LYS A HZ1 13 ATOM 6762 H HZ2 . LYS A 1 8 ? -0.893 -0.347 7.327 1.00 0.00 ? 8 LYS A HZ2 13 ATOM 6763 H HZ3 . LYS A 1 8 ? -0.482 -1.780 7.997 1.00 0.00 ? 8 LYS A HZ3 13 ATOM 6764 N N . ARG A 1 9 ? 2.597 -4.634 2.084 1.00 0.00 ? 9 ARG A N 13 ATOM 6765 C CA . ARG A 1 9 ? 3.972 -5.109 1.841 1.00 0.00 ? 9 ARG A CA 13 ATOM 6766 C C . ARG A 1 9 ? 4.985 -4.050 2.306 1.00 0.00 ? 9 ARG A C 13 ATOM 6767 O O . ARG A 1 9 ? 4.600 -2.918 2.607 1.00 0.00 ? 9 ARG A O 13 ATOM 6768 C CB . ARG A 1 9 ? 4.074 -5.471 0.345 1.00 0.00 ? 9 ARG A CB 13 ATOM 6769 C CG . ARG A 1 9 ? 5.311 -6.299 -0.034 1.00 0.00 ? 9 ARG A CG 13 ATOM 6770 C CD . ARG A 1 9 ? 5.160 -6.840 -1.461 1.00 0.00 ? 9 ARG A CD 13 ATOM 6771 N NE . ARG A 1 9 ? 6.388 -7.516 -1.920 1.00 0.00 ? 9 ARG A NE 13 ATOM 6772 C CZ . ARG A 1 9 ? 6.634 -8.815 -1.950 1.00 0.00 ? 9 ARG A CZ 13 ATOM 6773 N NH1 . ARG A 1 9 ? 7.742 -9.257 -2.472 1.00 0.00 ? 9 ARG A NH1 13 ATOM 6774 N NH2 . ARG A 1 9 ? 5.809 -9.700 -1.462 1.00 0.00 ? 9 ARG A NH2 13 ATOM 6775 H H . ARG A 1 9 ? 2.419 -3.642 1.942 1.00 0.00 ? 9 ARG A H 13 ATOM 6776 H HA . ARG A 1 9 ? 4.150 -6.008 2.434 1.00 0.00 ? 9 ARG A HA 13 ATOM 6777 H HB2 . ARG A 1 9 ? 3.194 -6.062 0.084 1.00 0.00 ? 9 ARG A HB2 13 ATOM 6778 H HB3 . ARG A 1 9 ? 4.052 -4.557 -0.252 1.00 0.00 ? 9 ARG A HB3 13 ATOM 6779 H HG2 . ARG A 1 9 ? 6.203 -5.673 0.020 1.00 0.00 ? 9 ARG A HG2 13 ATOM 6780 H HG3 . ARG A 1 9 ? 5.413 -7.141 0.654 1.00 0.00 ? 9 ARG A HG3 13 ATOM 6781 H HD2 . ARG A 1 9 ? 4.305 -7.519 -1.503 1.00 0.00 ? 9 ARG A HD2 13 ATOM 6782 H HD3 . ARG A 1 9 ? 4.965 -6.000 -2.131 1.00 0.00 ? 9 ARG A HD3 13 ATOM 6783 H HE . ARG A 1 9 ? 7.084 -6.922 -2.343 1.00 0.00 ? 9 ARG A HE 13 ATOM 6784 H HH11 . ARG A 1 9 ? 7.933 -10.245 -2.494 1.00 0.00 ? 9 ARG A HH11 13 ATOM 6785 H HH12 . ARG A 1 9 ? 8.412 -8.610 -2.859 1.00 0.00 ? 9 ARG A HH12 13 ATOM 6786 H HH21 . ARG A 1 9 ? 4.952 -9.392 -1.037 1.00 0.00 ? 9 ARG A HH21 13 ATOM 6787 H HH22 . ARG A 1 9 ? 6.032 -10.681 -1.501 1.00 0.00 ? 9 ARG A HH22 13 ATOM 6788 N N . MET A 1 10 ? 6.273 -4.390 2.392 1.00 0.00 ? 10 MET A N 13 ATOM 6789 C CA . MET A 1 10 ? 7.293 -3.502 2.968 1.00 0.00 ? 10 MET A CA 13 ATOM 6790 C C . MET A 1 10 ? 8.701 -3.793 2.425 1.00 0.00 ? 10 MET A C 13 ATOM 6791 O O . MET A 1 10 ? 9.116 -4.948 2.302 1.00 0.00 ? 10 MET A O 13 ATOM 6792 C CB . MET A 1 10 ? 7.269 -3.623 4.505 1.00 0.00 ? 10 MET A CB 13 ATOM 6793 C CG . MET A 1 10 ? 8.107 -2.546 5.206 1.00 0.00 ? 10 MET A CG 13 ATOM 6794 S SD . MET A 1 10 ? 8.252 -2.728 7.004 1.00 0.00 ? 10 MET A SD 13 ATOM 6795 C CE . MET A 1 10 ? 9.454 -4.086 7.087 1.00 0.00 ? 10 MET A CE 13 ATOM 6796 H H . MET A 1 10 ? 6.546 -5.327 2.135 1.00 0.00 ? 10 MET A H 13 ATOM 6797 H HA . MET A 1 10 ? 7.037 -2.479 2.701 1.00 0.00 ? 10 MET A HA 13 ATOM 6798 H HB2 . MET A 1 10 ? 6.242 -3.533 4.861 1.00 0.00 ? 10 MET A HB2 13 ATOM 6799 H HB3 . MET A 1 10 ? 7.639 -4.610 4.786 1.00 0.00 ? 10 MET A HB3 13 ATOM 6800 H HG2 . MET A 1 10 ? 9.112 -2.526 4.788 1.00 0.00 ? 10 MET A HG2 13 ATOM 6801 H HG3 . MET A 1 10 ? 7.642 -1.581 5.009 1.00 0.00 ? 10 MET A HG3 13 ATOM 6802 H HE1 . MET A 1 10 ? 9.035 -4.985 6.634 1.00 0.00 ? 10 MET A HE1 13 ATOM 6803 H HE2 . MET A 1 10 ? 10.365 -3.806 6.556 1.00 0.00 ? 10 MET A HE2 13 ATOM 6804 H HE3 . MET A 1 10 ? 9.698 -4.295 8.129 1.00 0.00 ? 10 MET A HE3 13 ATOM 6805 N N . PHE A 1 11 ? 9.430 -2.723 2.106 1.00 0.00 ? 11 PHE A N 13 ATOM 6806 C CA . PHE A 1 11 ? 10.830 -2.728 1.682 1.00 0.00 ? 11 PHE A CA 13 ATOM 6807 C C . PHE A 1 11 ? 11.848 -3.052 2.790 1.00 0.00 ? 11 PHE A C 13 ATOM 6808 O O . PHE A 1 11 ? 11.570 -2.854 3.976 1.00 0.00 ? 11 PHE A O 13 ATOM 6809 C CB . PHE A 1 11 ? 11.157 -1.395 0.990 1.00 0.00 ? 11 PHE A CB 13 ATOM 6810 C CG . PHE A 1 11 ? 10.483 -1.181 -0.353 1.00 0.00 ? 11 PHE A CG 13 ATOM 6811 C CD1 . PHE A 1 11 ? 9.411 -0.276 -0.467 1.00 0.00 ? 11 PHE A CD1 13 ATOM 6812 C CD2 . PHE A 1 11 ? 10.935 -1.870 -1.496 1.00 0.00 ? 11 PHE A CD2 13 ATOM 6813 C CE1 . PHE A 1 11 ? 8.808 -0.042 -1.713 1.00 0.00 ? 11 PHE A CE1 13 ATOM 6814 C CE2 . PHE A 1 11 ? 10.320 -1.647 -2.743 1.00 0.00 ? 11 PHE A CE2 13 ATOM 6815 C CZ . PHE A 1 11 ? 9.261 -0.728 -2.853 1.00 0.00 ? 11 PHE A CZ 13 ATOM 6816 H H . PHE A 1 11 ? 8.998 -1.816 2.243 1.00 0.00 ? 11 PHE A H 13 ATOM 6817 H HA . PHE A 1 11 ? 10.944 -3.513 0.933 1.00 0.00 ? 11 PHE A HA 13 ATOM 6818 H HB2 . PHE A 1 11 ? 10.883 -0.583 1.664 1.00 0.00 ? 11 PHE A HB2 13 ATOM 6819 H HB3 . PHE A 1 11 ? 12.236 -1.340 0.821 1.00 0.00 ? 11 PHE A HB3 13 ATOM 6820 H HD1 . PHE A 1 11 ? 9.031 0.239 0.401 1.00 0.00 ? 11 PHE A HD1 13 ATOM 6821 H HD2 . PHE A 1 11 ? 11.758 -2.568 -1.419 1.00 0.00 ? 11 PHE A HD2 13 ATOM 6822 H HE1 . PHE A 1 11 ? 7.980 0.650 -1.781 1.00 0.00 ? 11 PHE A HE1 13 ATOM 6823 H HE2 . PHE A 1 11 ? 10.667 -2.179 -3.620 1.00 0.00 ? 11 PHE A HE2 13 ATOM 6824 H HZ . PHE A 1 11 ? 8.787 -0.558 -3.812 1.00 0.00 ? 11 PHE A HZ 13 ATOM 6825 N N . ALA A 1 12 ? 13.060 -3.476 2.418 1.00 0.00 ? 12 ALA A N 13 ATOM 6826 C CA . ALA A 1 12 ? 14.147 -3.779 3.360 1.00 0.00 ? 12 ALA A CA 13 ATOM 6827 C C . ALA A 1 12 ? 14.611 -2.562 4.199 1.00 0.00 ? 12 ALA A C 13 ATOM 6828 O O . ALA A 1 12 ? 15.159 -2.734 5.291 1.00 0.00 ? 12 ALA A O 13 ATOM 6829 C CB . ALA A 1 12 ? 15.312 -4.373 2.558 1.00 0.00 ? 12 ALA A CB 13 ATOM 6830 H H . ALA A 1 12 ? 13.240 -3.617 1.433 1.00 0.00 ? 12 ALA A H 13 ATOM 6831 H HA . ALA A 1 12 ? 13.793 -4.537 4.060 1.00 0.00 ? 12 ALA A HA 13 ATOM 6832 H HB1 . ALA A 1 12 ? 15.692 -3.639 1.845 1.00 0.00 ? 12 ALA A HB1 13 ATOM 6833 H HB2 . ALA A 1 12 ? 16.116 -4.660 3.236 1.00 0.00 ? 12 ALA A HB2 13 ATOM 6834 H HB3 . ALA A 1 12 ? 14.977 -5.261 2.019 1.00 0.00 ? 12 ALA A HB3 13 ATOM 6835 N N . ASN A 1 13 ? 14.368 -1.336 3.716 1.00 0.00 ? 13 ASN A N 13 ATOM 6836 C CA . ASN A 1 13 ? 14.631 -0.078 4.432 1.00 0.00 ? 13 ASN A CA 13 ATOM 6837 C C . ASN A 1 13 ? 13.534 0.315 5.457 1.00 0.00 ? 13 ASN A C 13 ATOM 6838 O O . ASN A 1 13 ? 13.675 1.332 6.141 1.00 0.00 ? 13 ASN A O 13 ATOM 6839 C CB . ASN A 1 13 ? 14.884 1.041 3.396 1.00 0.00 ? 13 ASN A CB 13 ATOM 6840 C CG . ASN A 1 13 ? 13.689 1.374 2.513 1.00 0.00 ? 13 ASN A CG 13 ATOM 6841 O OD1 . ASN A 1 13 ? 12.555 1.019 2.825 1.00 0.00 ? 13 ASN A OD1 13 ATOM 6842 N ND2 . ASN A 1 13 ? 13.921 2.093 1.427 1.00 0.00 ? 13 ASN A ND2 13 ATOM 6843 H H . ASN A 1 13 ? 13.924 -1.277 2.811 1.00 0.00 ? 13 ASN A H 13 ATOM 6844 H HA . ASN A 1 13 ? 15.549 -0.202 5.007 1.00 0.00 ? 13 ASN A HA 13 ATOM 6845 H HB2 . ASN A 1 13 ? 15.178 1.955 3.919 1.00 0.00 ? 13 ASN A HB2 13 ATOM 6846 H HB3 . ASN A 1 13 ? 15.714 0.736 2.753 1.00 0.00 ? 13 ASN A HB3 13 ATOM 6847 H HD21 . ASN A 1 13 ? 14.867 2.379 1.228 1.00 0.00 ? 13 ASN A HD21 13 ATOM 6848 N N . GLY A 1 14 ? 12.443 -0.456 5.566 1.00 0.00 ? 14 GLY A N 13 ATOM 6849 C CA . GLY A 1 14 ? 11.311 -0.183 6.465 1.00 0.00 ? 14 GLY A CA 13 ATOM 6850 C C . GLY A 1 14 ? 10.192 0.693 5.879 1.00 0.00 ? 14 GLY A C 13 ATOM 6851 O O . GLY A 1 14 ? 9.399 1.252 6.640 1.00 0.00 ? 14 GLY A O 13 ATOM 6852 H H . GLY A 1 14 ? 12.383 -1.281 4.980 1.00 0.00 ? 14 GLY A H 13 ATOM 6853 H HA2 . GLY A 1 14 ? 10.864 -1.140 6.739 1.00 0.00 ? 14 GLY A HA2 13 ATOM 6854 H HA3 . GLY A 1 14 ? 11.677 0.301 7.373 1.00 0.00 ? 14 GLY A HA3 13 ATOM 6855 N N . THR A 1 15 ? 10.094 0.818 4.550 1.00 0.00 ? 15 THR A N 13 ATOM 6856 C CA . THR A 1 15 ? 9.055 1.606 3.858 1.00 0.00 ? 15 THR A CA 13 ATOM 6857 C C . THR A 1 15 ? 7.883 0.709 3.461 1.00 0.00 ? 15 THR A C 13 ATOM 6858 O O . THR A 1 15 ? 8.081 -0.297 2.782 1.00 0.00 ? 15 THR A O 13 ATOM 6859 C CB . THR A 1 15 ? 9.634 2.255 2.590 1.00 0.00 ? 15 THR A CB 13 ATOM 6860 O OG1 . THR A 1 15 ? 10.724 3.086 2.912 1.00 0.00 ? 15 THR A OG1 13 ATOM 6861 C CG2 . THR A 1 15 ? 8.621 3.082 1.806 1.00 0.00 ? 15 THR A CG2 13 ATOM 6862 H H . THR A 1 15 ? 10.796 0.370 3.975 1.00 0.00 ? 15 THR A H 13 ATOM 6863 H HA . THR A 1 15 ? 8.693 2.402 4.510 1.00 0.00 ? 15 THR A HA 13 ATOM 6864 H HB . THR A 1 15 ? 10.005 1.472 1.933 1.00 0.00 ? 15 THR A HB 13 ATOM 6865 H HG1 . THR A 1 15 ? 11.419 2.472 3.209 1.00 0.00 ? 15 THR A HG1 13 ATOM 6866 H HG21 . THR A 1 15 ? 7.877 2.420 1.360 1.00 0.00 ? 15 THR A HG21 13 ATOM 6867 H HG22 . THR A 1 15 ? 8.133 3.795 2.469 1.00 0.00 ? 15 THR A HG22 13 ATOM 6868 H HG23 . THR A 1 15 ? 9.128 3.613 1.003 1.00 0.00 ? 15 THR A HG23 13 ATOM 6869 N N . VAL A 1 16 ? 6.658 1.079 3.843 1.00 0.00 ? 16 VAL A N 13 ATOM 6870 C CA . VAL A 1 16 ? 5.438 0.278 3.614 1.00 0.00 ? 16 VAL A CA 13 ATOM 6871 C C . VAL A 1 16 ? 4.759 0.746 2.323 1.00 0.00 ? 16 VAL A C 13 ATOM 6872 O O . VAL A 1 16 ? 4.729 1.941 2.010 1.00 0.00 ? 16 VAL A O 13 ATOM 6873 C CB . VAL A 1 16 ? 4.475 0.419 4.814 1.00 0.00 ? 16 VAL A CB 13 ATOM 6874 C CG1 . VAL A 1 16 ? 3.065 -0.137 4.566 1.00 0.00 ? 16 VAL A CG1 13 ATOM 6875 C CG2 . VAL A 1 16 ? 5.030 -0.319 6.039 1.00 0.00 ? 16 VAL A CG2 13 ATOM 6876 H H . VAL A 1 16 ? 6.563 1.941 4.361 1.00 0.00 ? 16 VAL A H 13 ATOM 6877 H HA . VAL A 1 16 ? 5.697 -0.774 3.505 1.00 0.00 ? 16 VAL A HA 13 ATOM 6878 H HB . VAL A 1 16 ? 4.374 1.476 5.064 1.00 0.00 ? 16 VAL A HB 13 ATOM 6879 H HG11 . VAL A 1 16 ? 2.559 0.433 3.787 1.00 0.00 ? 16 VAL A HG11 13 ATOM 6880 H HG12 . VAL A 1 16 ? 3.119 -1.187 4.272 1.00 0.00 ? 16 VAL A HG12 13 ATOM 6881 H HG13 . VAL A 1 16 ? 2.478 -0.047 5.478 1.00 0.00 ? 16 VAL A HG13 13 ATOM 6882 H HG21 . VAL A 1 16 ? 6.010 0.075 6.306 1.00 0.00 ? 16 VAL A HG21 13 ATOM 6883 H HG22 . VAL A 1 16 ? 4.355 -0.186 6.885 1.00 0.00 ? 16 VAL A HG22 13 ATOM 6884 H HG23 . VAL A 1 16 ? 5.113 -1.385 5.823 1.00 0.00 ? 16 VAL A HG23 13 ATOM 6885 N N . TYR A 1 17 ? 4.195 -0.208 1.581 1.00 0.00 ? 17 TYR A N 13 ATOM 6886 C CA . TYR A 1 17 ? 3.437 0.010 0.347 1.00 0.00 ? 17 TYR A CA 13 ATOM 6887 C C . TYR A 1 17 ? 2.337 -1.061 0.202 1.00 0.00 ? 17 TYR A C 13 ATOM 6888 O O . TYR A 1 17 ? 2.180 -1.945 1.050 1.00 0.00 ? 17 TYR A O 13 ATOM 6889 C CB . TYR A 1 17 ? 4.413 0.013 -0.848 1.00 0.00 ? 17 TYR A CB 13 ATOM 6890 C CG . TYR A 1 17 ? 5.141 -1.287 -1.159 1.00 0.00 ? 17 TYR A CG 13 ATOM 6891 C CD1 . TYR A 1 17 ? 6.275 -1.659 -0.407 1.00 0.00 ? 17 TYR A CD1 13 ATOM 6892 C CD2 . TYR A 1 17 ? 4.750 -2.072 -2.265 1.00 0.00 ? 17 TYR A CD2 13 ATOM 6893 C CE1 . TYR A 1 17 ? 7.041 -2.778 -0.786 1.00 0.00 ? 17 TYR A CE1 13 ATOM 6894 C CE2 . TYR A 1 17 ? 5.506 -3.201 -2.636 1.00 0.00 ? 17 TYR A CE2 13 ATOM 6895 C CZ . TYR A 1 17 ? 6.671 -3.538 -1.915 1.00 0.00 ? 17 TYR A CZ 13 ATOM 6896 O OH . TYR A 1 17 ? 7.448 -4.580 -2.317 1.00 0.00 ? 17 TYR A OH 13 ATOM 6897 H H . TYR A 1 17 ? 4.239 -1.163 1.923 1.00 0.00 ? 17 TYR A H 13 ATOM 6898 H HA . TYR A 1 17 ? 2.943 0.982 0.388 1.00 0.00 ? 17 TYR A HA 13 ATOM 6899 H HB2 . TYR A 1 17 ? 3.872 0.329 -1.738 1.00 0.00 ? 17 TYR A HB2 13 ATOM 6900 H HB3 . TYR A 1 17 ? 5.171 0.779 -0.668 1.00 0.00 ? 17 TYR A HB3 13 ATOM 6901 H HD1 . TYR A 1 17 ? 6.593 -1.052 0.431 1.00 0.00 ? 17 TYR A HD1 13 ATOM 6902 H HD2 . TYR A 1 17 ? 3.892 -1.789 -2.860 1.00 0.00 ? 17 TYR A HD2 13 ATOM 6903 H HE1 . TYR A 1 17 ? 7.938 -3.029 -0.242 1.00 0.00 ? 17 TYR A HE1 13 ATOM 6904 H HE2 . TYR A 1 17 ? 5.219 -3.795 -3.493 1.00 0.00 ? 17 TYR A HE2 13 ATOM 6905 H HH . TYR A 1 17 ? 8.315 -4.547 -1.896 1.00 0.00 ? 17 TYR A HH 13 ATOM 6906 N N . TYR A 1 18 ? 1.565 -0.983 -0.880 1.00 0.00 ? 18 TYR A N 13 ATOM 6907 C CA . TYR A 1 18 ? 0.486 -1.910 -1.221 1.00 0.00 ? 18 TYR A CA 13 ATOM 6908 C C . TYR A 1 18 ? 0.854 -2.741 -2.453 1.00 0.00 ? 18 TYR A C 13 ATOM 6909 O O . TYR A 1 18 ? 1.416 -2.221 -3.422 1.00 0.00 ? 18 TYR A O 13 ATOM 6910 C CB . TYR A 1 18 ? -0.824 -1.134 -1.415 1.00 0.00 ? 18 TYR A CB 13 ATOM 6911 C CG . TYR A 1 18 ? -1.257 -0.372 -0.176 1.00 0.00 ? 18 TYR A CG 13 ATOM 6912 C CD1 . TYR A 1 18 ? -1.999 -1.018 0.831 1.00 0.00 ? 18 TYR A CD1 13 ATOM 6913 C CD2 . TYR A 1 18 ? -0.878 0.976 -0.012 1.00 0.00 ? 18 TYR A CD2 13 ATOM 6914 C CE1 . TYR A 1 18 ? -2.364 -0.318 1.998 1.00 0.00 ? 18 TYR A CE1 13 ATOM 6915 C CE2 . TYR A 1 18 ? -1.231 1.677 1.157 1.00 0.00 ? 18 TYR A CE2 13 ATOM 6916 C CZ . TYR A 1 18 ? -1.977 1.030 2.165 1.00 0.00 ? 18 TYR A CZ 13 ATOM 6917 O OH . TYR A 1 18 ? -2.323 1.694 3.300 1.00 0.00 ? 18 TYR A OH 13 ATOM 6918 H H . TYR A 1 18 ? 1.745 -0.238 -1.543 1.00 0.00 ? 18 TYR A H 13 ATOM 6919 H HA . TYR A 1 18 ? 0.329 -2.604 -0.394 1.00 0.00 ? 18 TYR A HA 13 ATOM 6920 H HB2 . TYR A 1 18 ? -0.708 -0.435 -2.248 1.00 0.00 ? 18 TYR A HB2 13 ATOM 6921 H HB3 . TYR A 1 18 ? -1.612 -1.844 -1.677 1.00 0.00 ? 18 TYR A HB3 13 ATOM 6922 H HD1 . TYR A 1 18 ? -2.279 -2.057 0.713 1.00 0.00 ? 18 TYR A HD1 13 ATOM 6923 H HD2 . TYR A 1 18 ? -0.303 1.471 -0.786 1.00 0.00 ? 18 TYR A HD2 13 ATOM 6924 H HE1 . TYR A 1 18 ? -2.926 -0.808 2.778 1.00 0.00 ? 18 TYR A HE1 13 ATOM 6925 H HE2 . TYR A 1 18 ? -0.930 2.709 1.278 1.00 0.00 ? 18 TYR A HE2 13 ATOM 6926 H HH . TYR A 1 18 ? -1.980 2.596 3.303 1.00 0.00 ? 18 TYR A HH 13 ATOM 6927 N N . PHE A 1 19 ? 0.533 -4.033 -2.425 1.00 0.00 ? 19 PHE A N 13 ATOM 6928 C CA . PHE A 1 19 ? 0.898 -4.998 -3.460 1.00 0.00 ? 19 PHE A CA 13 ATOM 6929 C C . PHE A 1 19 ? -0.206 -6.018 -3.760 1.00 0.00 ? 19 PHE A C 13 ATOM 6930 O O . PHE A 1 19 ? -0.796 -6.581 -2.837 1.00 0.00 ? 19 PHE A O 13 ATOM 6931 C CB . PHE A 1 19 ? 2.236 -5.652 -3.106 1.00 0.00 ? 19 PHE A CB 13 ATOM 6932 C CG . PHE A 1 19 ? 2.628 -6.751 -4.065 1.00 0.00 ? 19 PHE A CG 13 ATOM 6933 C CD1 . PHE A 1 19 ? 3.091 -6.381 -5.336 1.00 0.00 ? 19 PHE A CD1 13 ATOM 6934 C CD2 . PHE A 1 19 ? 2.485 -8.113 -3.738 1.00 0.00 ? 19 PHE A CD2 13 ATOM 6935 C CE1 . PHE A 1 19 ? 3.396 -7.357 -6.291 1.00 0.00 ? 19 PHE A CE1 13 ATOM 6936 C CE2 . PHE A 1 19 ? 2.819 -9.096 -4.688 1.00 0.00 ? 19 PHE A CE2 13 ATOM 6937 C CZ . PHE A 1 19 ? 3.270 -8.719 -5.967 1.00 0.00 ? 19 PHE A CZ 13 ATOM 6938 H H . PHE A 1 19 ? 0.076 -4.400 -1.595 1.00 0.00 ? 19 PHE A H 13 ATOM 6939 H HA . PHE A 1 19 ? 1.069 -4.467 -4.399 1.00 0.00 ? 19 PHE A HA 13 ATOM 6940 H HB2 . PHE A 1 19 ? 3.015 -4.886 -3.107 1.00 0.00 ? 19 PHE A HB2 13 ATOM 6941 H HB3 . PHE A 1 19 ? 2.168 -6.072 -2.100 1.00 0.00 ? 19 PHE A HB3 13 ATOM 6942 H HD1 . PHE A 1 19 ? 3.181 -5.337 -5.593 1.00 0.00 ? 19 PHE A HD1 13 ATOM 6943 H HD2 . PHE A 1 19 ? 2.109 -8.408 -2.767 1.00 0.00 ? 19 PHE A HD2 13 ATOM 6944 H HE1 . PHE A 1 19 ? 3.712 -7.036 -7.272 1.00 0.00 ? 19 PHE A HE1 13 ATOM 6945 H HE2 . PHE A 1 19 ? 2.715 -10.143 -4.439 1.00 0.00 ? 19 PHE A HE2 13 ATOM 6946 H HZ . PHE A 1 19 ? 3.509 -9.477 -6.703 1.00 0.00 ? 19 PHE A HZ 13 ATOM 6947 N N . ASN A 1 20 ? -0.493 -6.261 -5.038 1.00 0.00 ? 20 ASN A N 13 ATOM 6948 C CA . ASN A 1 20 ? -1.497 -7.227 -5.467 1.00 0.00 ? 20 ASN A CA 13 ATOM 6949 C C . ASN A 1 20 ? -0.834 -8.561 -5.847 1.00 0.00 ? 20 ASN A C 13 ATOM 6950 O O . ASN A 1 20 ? -0.127 -8.645 -6.851 1.00 0.00 ? 20 ASN A O 13 ATOM 6951 C CB . ASN A 1 20 ? -2.319 -6.619 -6.609 1.00 0.00 ? 20 ASN A CB 13 ATOM 6952 C CG . ASN A 1 20 ? -3.589 -7.418 -6.822 1.00 0.00 ? 20 ASN A CG 13 ATOM 6953 O OD1 . ASN A 1 20 ? -3.556 -8.623 -7.019 1.00 0.00 ? 20 ASN A OD1 13 ATOM 6954 N ND2 . ASN A 1 20 ? -4.737 -6.788 -6.779 1.00 0.00 ? 20 ASN A ND2 13 ATOM 6955 H H . ASN A 1 20 ? 0.036 -5.778 -5.756 1.00 0.00 ? 20 ASN A H 13 ATOM 6956 H HA . ASN A 1 20 ? -2.177 -7.410 -4.642 1.00 0.00 ? 20 ASN A HA 13 ATOM 6957 H HB2 . ASN A 1 20 ? -2.582 -5.592 -6.358 1.00 0.00 ? 20 ASN A HB2 13 ATOM 6958 H HB3 . ASN A 1 20 ? -1.737 -6.618 -7.531 1.00 0.00 ? 20 ASN A HB3 13 ATOM 6959 H HD21 . ASN A 1 20 ? -5.592 -7.336 -6.793 1.00 0.00 ? 20 ASN A HD21 13 ATOM 6960 H HD22 . ASN A 1 20 ? -4.765 -5.803 -6.553 1.00 0.00 ? 20 ASN A HD22 13 ATOM 6961 N N . HIS A 1 21 ? -1.078 -9.621 -5.070 1.00 0.00 ? 21 HIS A N 13 ATOM 6962 C CA . HIS A 1 21 ? -0.442 -10.932 -5.293 1.00 0.00 ? 21 HIS A CA 13 ATOM 6963 C C . HIS A 1 21 ? -1.050 -11.721 -6.471 1.00 0.00 ? 21 HIS A C 13 ATOM 6964 O O . HIS A 1 21 ? -0.415 -12.642 -6.990 1.00 0.00 ? 21 HIS A O 13 ATOM 6965 C CB . HIS A 1 21 ? -0.435 -11.734 -3.980 1.00 0.00 ? 21 HIS A CB 13 ATOM 6966 C CG . HIS A 1 21 ? -1.647 -12.606 -3.728 1.00 0.00 ? 21 HIS A CG 13 ATOM 6967 N ND1 . HIS A 1 21 ? -1.714 -13.980 -3.985 1.00 0.00 ? 21 HIS A ND1 13 ATOM 6968 C CD2 . HIS A 1 21 ? -2.837 -12.202 -3.196 1.00 0.00 ? 21 HIS A CD2 13 ATOM 6969 C CE1 . HIS A 1 21 ? -2.937 -14.372 -3.589 1.00 0.00 ? 21 HIS A CE1 13 ATOM 6970 N NE2 . HIS A 1 21 ? -3.631 -13.325 -3.111 1.00 0.00 ? 21 HIS A NE2 13 ATOM 6971 H H . HIS A 1 21 ? -1.710 -9.507 -4.285 1.00 0.00 ? 21 HIS A H 13 ATOM 6972 H HA . HIS A 1 21 ? 0.600 -10.750 -5.562 1.00 0.00 ? 21 HIS A HA 13 ATOM 6973 H HB2 . HIS A 1 21 ? 0.438 -12.391 -4.004 1.00 0.00 ? 21 HIS A HB2 13 ATOM 6974 H HB3 . HIS A 1 21 ? -0.309 -11.051 -3.135 1.00 0.00 ? 21 HIS A HB3 13 ATOM 6975 H HD2 . HIS A 1 21 ? -3.100 -11.200 -2.894 1.00 0.00 ? 21 HIS A HD2 13 ATOM 6976 H HE1 . HIS A 1 21 ? -3.315 -15.388 -3.648 1.00 0.00 ? 21 HIS A HE1 13 ATOM 6977 H HE2 . HIS A 1 21 ? -4.577 -13.371 -2.743 1.00 0.00 ? 21 HIS A HE2 13 ATOM 6978 N N . ILE A 1 22 ? -2.253 -11.346 -6.920 1.00 0.00 ? 22 ILE A N 13 ATOM 6979 C CA . ILE A 1 22 ? -2.979 -11.961 -8.044 1.00 0.00 ? 22 ILE A CA 13 ATOM 6980 C C . ILE A 1 22 ? -2.510 -11.377 -9.388 1.00 0.00 ? 22 ILE A C 13 ATOM 6981 O O . ILE A 1 22 ? -2.347 -12.110 -10.366 1.00 0.00 ? 22 ILE A O 13 ATOM 6982 C CB . ILE A 1 22 ? -4.499 -11.730 -7.848 1.00 0.00 ? 22 ILE A CB 13 ATOM 6983 C CG1 . ILE A 1 22 ? -5.016 -12.227 -6.475 1.00 0.00 ? 22 ILE A CG1 13 ATOM 6984 C CG2 . ILE A 1 22 ? -5.321 -12.339 -8.996 1.00 0.00 ? 22 ILE A CG2 13 ATOM 6985 C CD1 . ILE A 1 22 ? -5.034 -13.747 -6.287 1.00 0.00 ? 22 ILE A CD1 13 ATOM 6986 H H . ILE A 1 22 ? -2.698 -10.559 -6.468 1.00 0.00 ? 22 ILE A H 13 ATOM 6987 H HA . ILE A 1 22 ? -2.786 -13.033 -8.058 1.00 0.00 ? 22 ILE A HA 13 ATOM 6988 H HB . ILE A 1 22 ? -4.680 -10.654 -7.886 1.00 0.00 ? 22 ILE A HB 13 ATOM 6989 H HG12 . ILE A 1 22 ? -4.404 -11.801 -5.676 1.00 0.00 ? 22 ILE A HG12 13 ATOM 6990 H HG13 . ILE A 1 22 ? -6.033 -11.860 -6.325 1.00 0.00 ? 22 ILE A HG13 13 ATOM 6991 H HG21 . ILE A 1 22 ? -5.120 -11.806 -9.925 1.00 0.00 ? 22 ILE A HG21 13 ATOM 6992 H HG22 . ILE A 1 22 ? -5.066 -13.391 -9.128 1.00 0.00 ? 22 ILE A HG22 13 ATOM 6993 H HG23 . ILE A 1 22 ? -6.385 -12.249 -8.776 1.00 0.00 ? 22 ILE A HG23 13 ATOM 6994 H HD11 . ILE A 1 22 ? -5.703 -14.213 -7.009 1.00 0.00 ? 22 ILE A HD11 13 ATOM 6995 H HD12 . ILE A 1 22 ? -4.029 -14.151 -6.399 1.00 0.00 ? 22 ILE A HD12 13 ATOM 6996 H HD13 . ILE A 1 22 ? -5.402 -13.969 -5.286 1.00 0.00 ? 22 ILE A HD13 13 ATOM 6997 N N . THR A 1 23 ? -2.274 -10.061 -9.430 1.00 0.00 ? 23 THR A N 13 ATOM 6998 C CA . THR A 1 23 ? -1.981 -9.273 -10.648 1.00 0.00 ? 23 THR A CA 13 ATOM 6999 C C . THR A 1 23 ? -0.556 -8.724 -10.772 1.00 0.00 ? 23 THR A C 13 ATOM 7000 O O . THR A 1 23 ? -0.185 -8.202 -11.826 1.00 0.00 ? 23 THR A O 13 ATOM 7001 C CB . THR A 1 23 ? -3.015 -8.151 -10.844 1.00 0.00 ? 23 THR A CB 13 ATOM 7002 O OG1 . THR A 1 23 ? -2.712 -7.078 -9.983 1.00 0.00 ? 23 THR A OG1 13 ATOM 7003 C CG2 . THR A 1 23 ? -4.461 -8.546 -10.551 1.00 0.00 ? 23 THR A CG2 13 ATOM 7004 H H . THR A 1 23 ? -2.467 -9.538 -8.584 1.00 0.00 ? 23 THR A H 13 ATOM 7005 H HA . THR A 1 23 ? -2.104 -9.935 -11.505 1.00 0.00 ? 23 THR A HA 13 ATOM 7006 H HB . THR A 1 23 ? -2.954 -7.798 -11.874 1.00 0.00 ? 23 THR A HB 13 ATOM 7007 H HG1 . THR A 1 23 ? -3.560 -6.668 -9.770 1.00 0.00 ? 23 THR A HG1 13 ATOM 7008 H HG21 . THR A 1 23 ? -4.598 -8.743 -9.490 1.00 0.00 ? 23 THR A HG21 13 ATOM 7009 H HG22 . THR A 1 23 ? -5.125 -7.735 -10.852 1.00 0.00 ? 23 THR A HG22 13 ATOM 7010 H HG23 . THR A 1 23 ? -4.715 -9.438 -11.124 1.00 0.00 ? 23 THR A HG23 13 ATOM 7011 N N . ASN A 1 24 ? 0.247 -8.839 -9.710 1.00 0.00 ? 24 ASN A N 13 ATOM 7012 C CA . ASN A 1 24 ? 1.580 -8.243 -9.546 1.00 0.00 ? 24 ASN A CA 13 ATOM 7013 C C . ASN A 1 24 ? 1.622 -6.695 -9.598 1.00 0.00 ? 24 ASN A C 13 ATOM 7014 O O . ASN A 1 24 ? 2.704 -6.112 -9.708 1.00 0.00 ? 24 ASN A O 13 ATOM 7015 C CB . ASN A 1 24 ? 2.612 -8.943 -10.457 1.00 0.00 ? 24 ASN A CB 13 ATOM 7016 C CG . ASN A 1 24 ? 2.712 -10.436 -10.192 1.00 0.00 ? 24 ASN A CG 13 ATOM 7017 O OD1 . ASN A 1 24 ? 3.029 -10.880 -9.095 1.00 0.00 ? 24 ASN A OD1 13 ATOM 7018 N ND2 . ASN A 1 24 ? 2.492 -11.262 -11.191 1.00 0.00 ? 24 ASN A ND2 13 ATOM 7019 H H . ASN A 1 24 ? -0.151 -9.258 -8.879 1.00 0.00 ? 24 ASN A H 13 ATOM 7020 H HA . ASN A 1 24 ? 1.878 -8.473 -8.522 1.00 0.00 ? 24 ASN A HA 13 ATOM 7021 H HB2 . ASN A 1 24 ? 2.358 -8.766 -11.503 1.00 0.00 ? 24 ASN A HB2 13 ATOM 7022 H HB3 . ASN A 1 24 ? 3.601 -8.519 -10.269 1.00 0.00 ? 24 ASN A HB3 13 ATOM 7023 H HD21 . ASN A 1 24 ? 2.244 -10.900 -12.101 1.00 0.00 ? 24 ASN A HD21 13 ATOM 7024 H HD22 . ASN A 1 24 ? 2.573 -12.255 -11.018 1.00 0.00 ? 24 ASN A HD22 13 ATOM 7025 N N . ALA A 1 25 ? 0.472 -6.013 -9.505 1.00 0.00 ? 25 ALA A N 13 ATOM 7026 C CA . ALA A 1 25 ? 0.410 -4.553 -9.373 1.00 0.00 ? 25 ALA A CA 13 ATOM 7027 C C . ALA A 1 25 ? 0.978 -4.059 -8.022 1.00 0.00 ? 25 ALA A C 13 ATOM 7028 O O . ALA A 1 25 ? 0.924 -4.769 -7.017 1.00 0.00 ? 25 ALA A O 13 ATOM 7029 C CB . ALA A 1 25 ? -1.041 -4.098 -9.577 1.00 0.00 ? 25 ALA A CB 13 ATOM 7030 H H . ALA A 1 25 ? -0.397 -6.530 -9.451 1.00 0.00 ? 25 ALA A H 13 ATOM 7031 H HA . ALA A 1 25 ? 1.013 -4.111 -10.169 1.00 0.00 ? 25 ALA A HA 13 ATOM 7032 H HB1 . ALA A 1 25 ? -1.409 -4.448 -10.541 1.00 0.00 ? 25 ALA A HB1 13 ATOM 7033 H HB2 . ALA A 1 25 ? -1.674 -4.495 -8.783 1.00 0.00 ? 25 ALA A HB2 13 ATOM 7034 H HB3 . ALA A 1 25 ? -1.092 -3.009 -9.555 1.00 0.00 ? 25 ALA A HB3 13 ATOM 7035 N N . SER A 1 26 ? 1.488 -2.824 -7.984 1.00 0.00 ? 26 SER A N 13 ATOM 7036 C CA . SER A 1 26 ? 2.051 -2.181 -6.781 1.00 0.00 ? 26 SER A CA 13 ATOM 7037 C C . SER A 1 26 ? 1.734 -0.682 -6.719 1.00 0.00 ? 26 SER A C 13 ATOM 7038 O O . SER A 1 26 ? 1.717 -0.009 -7.755 1.00 0.00 ? 26 SER A O 13 ATOM 7039 C CB . SER A 1 26 ? 3.570 -2.398 -6.688 1.00 0.00 ? 26 SER A CB 13 ATOM 7040 O OG . SER A 1 26 ? 4.249 -1.955 -7.855 1.00 0.00 ? 26 SER A OG 13 ATOM 7041 H H . SER A 1 26 ? 1.499 -2.287 -8.839 1.00 0.00 ? 26 SER A H 13 ATOM 7042 H HA . SER A 1 26 ? 1.613 -2.656 -5.905 1.00 0.00 ? 26 SER A HA 13 ATOM 7043 H HB2 . SER A 1 26 ? 3.954 -1.861 -5.817 1.00 0.00 ? 26 SER A HB2 13 ATOM 7044 H HB3 . SER A 1 26 ? 3.771 -3.458 -6.539 1.00 0.00 ? 26 SER A HB3 13 ATOM 7045 H HG . SER A 1 26 ? 4.061 -1.014 -7.983 1.00 0.00 ? 26 SER A HG 13 ATOM 7046 N N . GLN A 1 27 ? 1.527 -0.143 -5.515 1.00 0.00 ? 27 GLN A N 13 ATOM 7047 C CA . GLN A 1 27 ? 1.230 1.277 -5.273 1.00 0.00 ? 27 GLN A CA 13 ATOM 7048 C C . GLN A 1 27 ? 1.680 1.747 -3.880 1.00 0.00 ? 27 GLN A C 13 ATOM 7049 O O . GLN A 1 27 ? 1.621 0.996 -2.908 1.00 0.00 ? 27 GLN A O 13 ATOM 7050 C CB . GLN A 1 27 ? -0.285 1.540 -5.436 1.00 0.00 ? 27 GLN A CB 13 ATOM 7051 C CG . GLN A 1 27 ? -0.649 2.327 -6.704 1.00 0.00 ? 27 GLN A CG 13 ATOM 7052 C CD . GLN A 1 27 ? -0.152 3.776 -6.712 1.00 0.00 ? 27 GLN A CD 13 ATOM 7053 O OE1 . GLN A 1 27 ? 0.410 4.298 -5.756 1.00 0.00 ? 27 GLN A OE1 13 ATOM 7054 N NE2 . GLN A 1 27 ? -0.339 4.492 -7.801 1.00 0.00 ? 27 GLN A NE2 13 ATOM 7055 H H . GLN A 1 27 ? 1.556 -0.754 -4.704 1.00 0.00 ? 27 GLN A H 13 ATOM 7056 H HA . GLN A 1 27 ? 1.778 1.876 -6.002 1.00 0.00 ? 27 GLN A HA 13 ATOM 7057 H HB2 . GLN A 1 27 ? -0.825 0.591 -5.445 1.00 0.00 ? 27 GLN A HB2 13 ATOM 7058 H HB3 . GLN A 1 27 ? -0.655 2.104 -4.582 1.00 0.00 ? 27 GLN A HB3 13 ATOM 7059 H HG2 . GLN A 1 27 ? -0.256 1.806 -7.576 1.00 0.00 ? 27 GLN A HG2 13 ATOM 7060 H HG3 . GLN A 1 27 ? -1.734 2.348 -6.788 1.00 0.00 ? 27 GLN A HG3 13 ATOM 7061 H HE21 . GLN A 1 27 ? -0.800 4.083 -8.605 1.00 0.00 ? 27 GLN A HE21 13 ATOM 7062 H HE22 . GLN A 1 27 ? -0.012 5.448 -7.805 1.00 0.00 ? 27 GLN A HE22 13 ATOM 7063 N N . PHE A 1 28 ? 2.092 3.012 -3.775 1.00 0.00 ? 28 PHE A N 13 ATOM 7064 C CA . PHE A 1 28 ? 2.343 3.686 -2.496 1.00 0.00 ? 28 PHE A CA 13 ATOM 7065 C C . PHE A 1 28 ? 1.084 4.238 -1.806 1.00 0.00 ? 28 PHE A C 13 ATOM 7066 O O . PHE A 1 28 ? 1.007 4.298 -0.577 1.00 0.00 ? 28 PHE A O 13 ATOM 7067 C CB . PHE A 1 28 ? 3.444 4.744 -2.647 1.00 0.00 ? 28 PHE A CB 13 ATOM 7068 C CG . PHE A 1 28 ? 4.841 4.171 -2.804 1.00 0.00 ? 28 PHE A CG 13 ATOM 7069 C CD1 . PHE A 1 28 ? 5.588 3.791 -1.671 1.00 0.00 ? 28 PHE A CD1 13 ATOM 7070 C CD2 . PHE A 1 28 ? 5.402 4.027 -4.089 1.00 0.00 ? 28 PHE A CD2 13 ATOM 7071 C CE1 . PHE A 1 28 ? 6.891 3.283 -1.825 1.00 0.00 ? 28 PHE A CE1 13 ATOM 7072 C CE2 . PHE A 1 28 ? 6.704 3.514 -4.241 1.00 0.00 ? 28 PHE A CE2 13 ATOM 7073 C CZ . PHE A 1 28 ? 7.450 3.146 -3.108 1.00 0.00 ? 28 PHE A CZ 13 ATOM 7074 H H . PHE A 1 28 ? 2.066 3.585 -4.609 1.00 0.00 ? 28 PHE A H 13 ATOM 7075 H HA . PHE A 1 28 ? 2.735 2.941 -1.801 1.00 0.00 ? 28 PHE A HA 13 ATOM 7076 H HB2 . PHE A 1 28 ? 3.210 5.387 -3.499 1.00 0.00 ? 28 PHE A HB2 13 ATOM 7077 H HB3 . PHE A 1 28 ? 3.445 5.367 -1.748 1.00 0.00 ? 28 PHE A HB3 13 ATOM 7078 H HD1 . PHE A 1 28 ? 5.167 3.894 -0.680 1.00 0.00 ? 28 PHE A HD1 13 ATOM 7079 H HD2 . PHE A 1 28 ? 4.834 4.314 -4.963 1.00 0.00 ? 28 PHE A HD2 13 ATOM 7080 H HE1 . PHE A 1 28 ? 7.464 2.998 -0.954 1.00 0.00 ? 28 PHE A HE1 13 ATOM 7081 H HE2 . PHE A 1 28 ? 7.131 3.407 -5.229 1.00 0.00 ? 28 PHE A HE2 13 ATOM 7082 H HZ . PHE A 1 28 ? 8.453 2.755 -3.225 1.00 0.00 ? 28 PHE A HZ 13 ATOM 7083 N N . GLU A 1 29 ? 0.082 4.617 -2.605 1.00 0.00 ? 29 GLU A N 13 ATOM 7084 C CA . GLU A 1 29 ? -1.256 5.030 -2.159 1.00 0.00 ? 29 GLU A CA 13 ATOM 7085 C C . GLU A 1 29 ? -2.178 3.823 -1.907 1.00 0.00 ? 29 GLU A C 13 ATOM 7086 O O . GLU A 1 29 ? -2.086 2.808 -2.603 1.00 0.00 ? 29 GLU A O 13 ATOM 7087 C CB . GLU A 1 29 ? -1.839 6.010 -3.199 1.00 0.00 ? 29 GLU A CB 13 ATOM 7088 C CG . GLU A 1 29 ? -3.332 6.384 -3.108 1.00 0.00 ? 29 GLU A CG 13 ATOM 7089 C CD . GLU A 1 29 ? -3.792 7.052 -1.792 1.00 0.00 ? 29 GLU A CD 13 ATOM 7090 O OE1 . GLU A 1 29 ? -4.883 7.673 -1.792 1.00 0.00 ? 29 GLU A OE1 13 ATOM 7091 O OE2 . GLU A 1 29 ? -3.098 6.959 -0.752 1.00 0.00 ? 29 GLU A OE2 13 ATOM 7092 H H . GLU A 1 29 ? 0.216 4.507 -3.605 1.00 0.00 ? 29 GLU A H 13 ATOM 7093 H HA . GLU A 1 29 ? -1.150 5.563 -1.213 1.00 0.00 ? 29 GLU A HA 13 ATOM 7094 H HB2 . GLU A 1 29 ? -1.254 6.931 -3.166 1.00 0.00 ? 29 GLU A HB2 13 ATOM 7095 H HB3 . GLU A 1 29 ? -1.690 5.570 -4.187 1.00 0.00 ? 29 GLU A HB3 13 ATOM 7096 H HG2 . GLU A 1 29 ? -3.549 7.060 -3.939 1.00 0.00 ? 29 GLU A HG2 13 ATOM 7097 H HG3 . GLU A 1 29 ? -3.925 5.482 -3.276 1.00 0.00 ? 29 GLU A HG3 13 ATOM 7098 N N . ARG A 1 30 ? -3.096 3.928 -0.935 1.00 0.00 ? 30 ARG A N 13 ATOM 7099 C CA . ARG A 1 30 ? -4.070 2.866 -0.623 1.00 0.00 ? 30 ARG A CA 13 ATOM 7100 C C . ARG A 1 30 ? -4.995 2.592 -1.832 1.00 0.00 ? 30 ARG A C 13 ATOM 7101 O O . ARG A 1 30 ? -5.657 3.527 -2.294 1.00 0.00 ? 30 ARG A O 13 ATOM 7102 C CB . ARG A 1 30 ? -4.822 3.221 0.677 1.00 0.00 ? 30 ARG A CB 13 ATOM 7103 C CG . ARG A 1 30 ? -5.867 2.169 1.096 1.00 0.00 ? 30 ARG A CG 13 ATOM 7104 C CD . ARG A 1 30 ? -7.279 2.502 0.588 1.00 0.00 ? 30 ARG A CD 13 ATOM 7105 N NE . ARG A 1 30 ? -8.056 1.287 0.286 1.00 0.00 ? 30 ARG A NE 13 ATOM 7106 C CZ . ARG A 1 30 ? -8.915 0.651 1.059 1.00 0.00 ? 30 ARG A CZ 13 ATOM 7107 N NH1 . ARG A 1 30 ? -9.088 0.953 2.314 1.00 0.00 ? 30 ARG A NH1 13 ATOM 7108 N NH2 . ARG A 1 30 ? -9.623 -0.322 0.564 1.00 0.00 ? 30 ARG A NH2 13 ATOM 7109 H H . ARG A 1 30 ? -3.151 4.807 -0.431 1.00 0.00 ? 30 ARG A H 13 ATOM 7110 H HA . ARG A 1 30 ? -3.497 1.965 -0.418 1.00 0.00 ? 30 ARG A HA 13 ATOM 7111 H HB2 . ARG A 1 30 ? -4.084 3.297 1.478 1.00 0.00 ? 30 ARG A HB2 13 ATOM 7112 H HB3 . ARG A 1 30 ? -5.301 4.197 0.579 1.00 0.00 ? 30 ARG A HB3 13 ATOM 7113 H HG2 . ARG A 1 30 ? -5.555 1.189 0.728 1.00 0.00 ? 30 ARG A HG2 13 ATOM 7114 H HG3 . ARG A 1 30 ? -5.906 2.126 2.187 1.00 0.00 ? 30 ARG A HG3 13 ATOM 7115 H HD2 . ARG A 1 30 ? -7.792 3.126 1.321 1.00 0.00 ? 30 ARG A HD2 13 ATOM 7116 H HD3 . ARG A 1 30 ? -7.208 3.085 -0.330 1.00 0.00 ? 30 ARG A HD3 13 ATOM 7117 H HE . ARG A 1 30 ? -7.996 0.947 -0.667 1.00 0.00 ? 30 ARG A HE 13 ATOM 7118 H HH11 . ARG A 1 30 ? -8.544 1.694 2.722 1.00 0.00 ? 30 ARG A HH11 13 ATOM 7119 H HH12 . ARG A 1 30 ? -9.758 0.450 2.874 1.00 0.00 ? 30 ARG A HH12 13 ATOM 7120 H HH21 . ARG A 1 30 ? -9.561 -0.524 -0.420 1.00 0.00 ? 30 ARG A HH21 13 ATOM 7121 H HH22 . ARG A 1 30 ? -10.301 -0.799 1.136 1.00 0.00 ? 30 ARG A HH22 13 ATOM 7122 N N . PRO A 1 31 ? -5.062 1.354 -2.363 1.00 0.00 ? 31 PRO A N 13 ATOM 7123 C CA . PRO A 1 31 ? -5.816 1.031 -3.580 1.00 0.00 ? 31 PRO A CA 13 ATOM 7124 C C . PRO A 1 31 ? -7.335 1.079 -3.358 1.00 0.00 ? 31 PRO A C 13 ATOM 7125 O O . PRO A 1 31 ? -7.861 0.482 -2.416 1.00 0.00 ? 31 PRO A O 13 ATOM 7126 C CB . PRO A 1 31 ? -5.339 -0.366 -4.000 1.00 0.00 ? 31 PRO A CB 13 ATOM 7127 C CG . PRO A 1 31 ? -4.916 -0.997 -2.675 1.00 0.00 ? 31 PRO A CG 13 ATOM 7128 C CD . PRO A 1 31 ? -4.319 0.184 -1.922 1.00 0.00 ? 31 PRO A CD 13 ATOM 7129 H HA . PRO A 1 31 ? -5.553 1.739 -4.367 1.00 0.00 ? 31 PRO A HA 13 ATOM 7130 H HB2 . PRO A 1 31 ? -6.122 -0.945 -4.492 1.00 0.00 ? 31 PRO A HB2 13 ATOM 7131 H HB3 . PRO A 1 31 ? -4.468 -0.274 -4.650 1.00 0.00 ? 31 PRO A HB3 13 ATOM 7132 H HG2 . PRO A 1 31 ? -5.795 -1.363 -2.145 1.00 0.00 ? 31 PRO A HG2 13 ATOM 7133 H HG3 . PRO A 1 31 ? -4.183 -1.789 -2.806 1.00 0.00 ? 31 PRO A HG3 13 ATOM 7134 H HD2 . PRO A 1 31 ? -4.410 0.029 -0.847 1.00 0.00 ? 31 PRO A HD2 13 ATOM 7135 H HD3 . PRO A 1 31 ? -3.272 0.302 -2.201 1.00 0.00 ? 31 PRO A HD3 13 ATOM 7136 N N . SER A 1 32 ? -8.051 1.782 -4.239 1.00 0.00 ? 32 SER A N 13 ATOM 7137 C CA . SER A 1 32 ? -9.516 1.942 -4.194 1.00 0.00 ? 32 SER A CA 13 ATOM 7138 C C . SER A 1 32 ? -10.302 0.832 -4.915 1.00 0.00 ? 32 SER A C 13 ATOM 7139 O O . SER A 1 32 ? -11.497 0.663 -4.654 1.00 0.00 ? 32 SER A O 13 ATOM 7140 C CB . SER A 1 32 ? -9.890 3.312 -4.775 1.00 0.00 ? 32 SER A CB 13 ATOM 7141 O OG . SER A 1 32 ? -9.439 3.438 -6.116 1.00 0.00 ? 32 SER A OG 13 ATOM 7142 H H . SER A 1 32 ? -7.561 2.268 -4.979 1.00 0.00 ? 32 SER A H 13 ATOM 7143 H HA . SER A 1 32 ? -9.837 1.936 -3.153 1.00 0.00 ? 32 SER A HA 13 ATOM 7144 H HB2 . SER A 1 32 ? -10.974 3.438 -4.738 1.00 0.00 ? 32 SER A HB2 13 ATOM 7145 H HB3 . SER A 1 32 ? -9.431 4.093 -4.167 1.00 0.00 ? 32 SER A HB3 13 ATOM 7146 H HG . SER A 1 32 ? -9.695 4.316 -6.436 1.00 0.00 ? 32 SER A HG 13 ATOM 7147 N N . GLY A 1 33 ? -9.653 0.066 -5.804 1.00 0.00 ? 33 GLY A N 13 ATOM 7148 C CA . GLY A 1 33 ? -10.253 -1.026 -6.590 1.00 0.00 ? 33 GLY A CA 13 ATOM 7149 C C . GLY A 1 33 ? -9.302 -1.622 -7.628 1.00 0.00 ? 33 GLY A C 13 ATOM 7150 O O . GLY A 1 33 ? -8.167 -1.996 -7.257 1.00 0.00 ? 33 GLY A O 13 ATOM 7151 O OXT . GLY A 1 33 ? -9.704 -1.711 -8.809 1.00 0.00 ? 33 GLY A OXT 13 ATOM 7152 H H . GLY A 1 33 ? -8.674 0.263 -5.956 1.00 0.00 ? 33 GLY A H 13 ATOM 7153 H HA2 . GLY A 1 33 ? -10.569 -1.827 -5.925 1.00 0.00 ? 33 GLY A HA2 13 ATOM 7154 H HA3 . GLY A 1 33 ? -11.135 -0.653 -7.110 1.00 0.00 ? 33 GLY A HA3 13 HETATM 7155 C C1 . GAL B 2 . ? 12.898 2.391 0.440 1.00 0.00 ? 101 GAL A C1 13 HETATM 7156 C C2 . GAL B 2 . ? 12.784 3.903 0.128 1.00 0.00 ? 101 GAL A C2 13 HETATM 7157 C C3 . GAL B 2 . ? 11.752 4.103 -0.998 1.00 0.00 ? 101 GAL A C3 13 HETATM 7158 C C4 . GAL B 2 . ? 12.110 3.272 -2.244 1.00 0.00 ? 101 GAL A C4 13 HETATM 7159 C C5 . GAL B 2 . ? 12.306 1.784 -1.880 1.00 0.00 ? 101 GAL A C5 13 HETATM 7160 C C6 . GAL B 2 . ? 12.738 0.885 -3.052 1.00 0.00 ? 101 GAL A C6 13 HETATM 7161 O O2 . GAL B 2 . ? 12.374 4.658 1.306 1.00 0.00 ? 101 GAL A O2 13 HETATM 7162 O O3 . GAL B 2 . ? 11.694 5.506 -1.377 1.00 0.00 ? 101 GAL A O3 13 HETATM 7163 O O4 . GAL B 2 . ? 13.331 3.811 -2.812 1.00 0.00 ? 101 GAL A O4 13 HETATM 7164 O O5 . GAL B 2 . ? 13.284 1.661 -0.770 1.00 0.00 ? 101 GAL A O5 13 HETATM 7165 O O6 . GAL B 2 . ? 14.056 1.257 -3.499 1.00 0.00 ? 101 GAL A O6 13 HETATM 7166 H H1 . GAL B 2 . ? 11.936 2.011 0.779 1.00 0.00 ? 101 GAL A H1 13 HETATM 7167 H H2 . GAL B 2 . ? 13.755 4.277 -0.198 1.00 0.00 ? 101 GAL A H2 13 HETATM 7168 H H3 . GAL B 2 . ? 10.767 3.798 -0.643 1.00 0.00 ? 101 GAL A H3 13 HETATM 7169 H H4 . GAL B 2 . ? 11.312 3.363 -2.982 1.00 0.00 ? 101 GAL A H4 13 HETATM 7170 H H5 . GAL B 2 . ? 11.348 1.409 -1.521 1.00 0.00 ? 101 GAL A H5 13 HETATM 7171 H H61 . GAL B 2 . ? 12.756 -0.159 -2.737 1.00 0.00 ? 101 GAL A H61 13 HETATM 7172 H H62 . GAL B 2 . ? 12.031 0.992 -3.878 1.00 0.00 ? 101 GAL A H62 13 HETATM 7173 H HO2 . GAL B 2 . ? 11.713 4.146 1.813 1.00 0.00 ? 101 GAL A HO2 13 HETATM 7174 H HO3 . GAL B 2 . ? 11.595 6.026 -0.563 1.00 0.00 ? 101 GAL A HO3 13 HETATM 7175 H HO4 . GAL B 2 . ? 13.207 4.773 -2.882 1.00 0.00 ? 101 GAL A HO4 13 HETATM 7176 H HO6 . GAL B 2 . ? 14.097 2.225 -3.381 1.00 0.00 ? 101 GAL A HO6 13 ATOM 7177 N N . LYS A 1 1 ? -11.162 -3.996 4.448 1.00 0.00 ? 1 LYS A N 14 ATOM 7178 C CA . LYS A 1 1 ? -9.686 -4.111 4.297 1.00 0.00 ? 1 LYS A CA 14 ATOM 7179 C C . LYS A 1 1 ? -9.227 -3.508 2.962 1.00 0.00 ? 1 LYS A C 14 ATOM 7180 O O . LYS A 1 1 ? -9.019 -2.295 2.890 1.00 0.00 ? 1 LYS A O 14 ATOM 7181 C CB . LYS A 1 1 ? -9.203 -5.559 4.580 1.00 0.00 ? 1 LYS A CB 14 ATOM 7182 C CG . LYS A 1 1 ? -7.696 -5.845 4.419 1.00 0.00 ? 1 LYS A CG 14 ATOM 7183 C CD . LYS A 1 1 ? -6.789 -5.076 5.396 1.00 0.00 ? 1 LYS A CD 14 ATOM 7184 C CE . LYS A 1 1 ? -5.299 -5.263 5.063 1.00 0.00 ? 1 LYS A CE 14 ATOM 7185 N NZ . LYS A 1 1 ? -4.862 -6.681 5.143 1.00 0.00 ? 1 LYS A NZ 14 ATOM 7186 H H1 . LYS A 1 1 ? -11.457 -3.035 4.342 1.00 0.00 ? 1 LYS A H1 14 ATOM 7187 H H2 . LYS A 1 1 ? -11.446 -4.309 5.365 1.00 0.00 ? 1 LYS A H2 14 ATOM 7188 H H3 . LYS A 1 1 ? -11.641 -4.557 3.761 1.00 0.00 ? 1 LYS A H3 14 ATOM 7189 H HA . LYS A 1 1 ? -9.235 -3.476 5.061 1.00 0.00 ? 1 LYS A HA 14 ATOM 7190 H HB2 . LYS A 1 1 ? -9.486 -5.821 5.601 1.00 0.00 ? 1 LYS A HB2 14 ATOM 7191 H HB3 . LYS A 1 1 ? -9.739 -6.240 3.916 1.00 0.00 ? 1 LYS A HB3 14 ATOM 7192 H HG2 . LYS A 1 1 ? -7.550 -6.914 4.581 1.00 0.00 ? 1 LYS A HG2 14 ATOM 7193 H HG3 . LYS A 1 1 ? -7.383 -5.631 3.399 1.00 0.00 ? 1 LYS A HG3 14 ATOM 7194 H HD2 . LYS A 1 1 ? -7.013 -4.009 5.337 1.00 0.00 ? 1 LYS A HD2 14 ATOM 7195 H HD3 . LYS A 1 1 ? -6.982 -5.410 6.416 1.00 0.00 ? 1 LYS A HD3 14 ATOM 7196 H HE2 . LYS A 1 1 ? -5.121 -4.884 4.055 1.00 0.00 ? 1 LYS A HE2 14 ATOM 7197 H HE3 . LYS A 1 1 ? -4.703 -4.656 5.750 1.00 0.00 ? 1 LYS A HE3 14 ATOM 7198 H HZ1 . LYS A 1 1 ? -4.839 -7.013 6.097 1.00 0.00 ? 1 LYS A HZ1 14 ATOM 7199 H HZ2 . LYS A 1 1 ? -5.467 -7.287 4.609 1.00 0.00 ? 1 LYS A HZ2 14 ATOM 7200 H HZ3 . LYS A 1 1 ? -3.928 -6.800 4.743 1.00 0.00 ? 1 LYS A HZ3 14 ATOM 7201 N N . LEU A 1 2 ? -9.094 -4.310 1.898 1.00 0.00 ? 2 LEU A N 14 ATOM 7202 C CA . LEU A 1 2 ? -8.496 -3.951 0.600 1.00 0.00 ? 2 LEU A CA 14 ATOM 7203 C C . LEU A 1 2 ? -9.264 -4.593 -0.583 1.00 0.00 ? 2 LEU A C 14 ATOM 7204 O O . LEU A 1 2 ? -10.017 -5.550 -0.361 1.00 0.00 ? 2 LEU A O 14 ATOM 7205 C CB . LEU A 1 2 ? -7.015 -4.390 0.598 1.00 0.00 ? 2 LEU A CB 14 ATOM 7206 C CG . LEU A 1 2 ? -6.070 -3.567 1.492 1.00 0.00 ? 2 LEU A CG 14 ATOM 7207 C CD1 . LEU A 1 2 ? -4.700 -4.238 1.560 1.00 0.00 ? 2 LEU A CD1 14 ATOM 7208 C CD2 . LEU A 1 2 ? -5.865 -2.159 0.942 1.00 0.00 ? 2 LEU A CD2 14 ATOM 7209 H H . LEU A 1 2 ? -9.341 -5.283 2.009 1.00 0.00 ? 2 LEU A H 14 ATOM 7210 H HA . LEU A 1 2 ? -8.552 -2.874 0.473 1.00 0.00 ? 2 LEU A HA 14 ATOM 7211 H HB2 . LEU A 1 2 ? -6.969 -5.440 0.901 1.00 0.00 ? 2 LEU A HB2 14 ATOM 7212 H HB3 . LEU A 1 2 ? -6.634 -4.317 -0.418 1.00 0.00 ? 2 LEU A HB3 14 ATOM 7213 H HG . LEU A 1 2 ? -6.468 -3.504 2.502 1.00 0.00 ? 2 LEU A HG 14 ATOM 7214 H HD11 . LEU A 1 2 ? -4.044 -3.678 2.227 1.00 0.00 ? 2 LEU A HD11 14 ATOM 7215 H HD12 . LEU A 1 2 ? -4.814 -5.252 1.943 1.00 0.00 ? 2 LEU A HD12 14 ATOM 7216 H HD13 . LEU A 1 2 ? -4.252 -4.279 0.567 1.00 0.00 ? 2 LEU A HD13 14 ATOM 7217 H HD21 . LEU A 1 2 ? -5.211 -1.597 1.606 1.00 0.00 ? 2 LEU A HD21 14 ATOM 7218 H HD22 . LEU A 1 2 ? -5.416 -2.212 -0.048 1.00 0.00 ? 2 LEU A HD22 14 ATOM 7219 H HD23 . LEU A 1 2 ? -6.819 -1.642 0.886 1.00 0.00 ? 2 LEU A HD23 14 ATOM 7220 N N . PRO A 1 3 ? -9.094 -4.106 -1.833 1.00 0.00 ? 3 PRO A N 14 ATOM 7221 C CA . PRO A 1 3 ? -9.734 -4.682 -3.022 1.00 0.00 ? 3 PRO A CA 14 ATOM 7222 C C . PRO A 1 3 ? -9.170 -6.076 -3.391 1.00 0.00 ? 3 PRO A C 14 ATOM 7223 O O . PRO A 1 3 ? -8.169 -6.509 -2.808 1.00 0.00 ? 3 PRO A O 14 ATOM 7224 C CB . PRO A 1 3 ? -9.535 -3.657 -4.152 1.00 0.00 ? 3 PRO A CB 14 ATOM 7225 C CG . PRO A 1 3 ? -8.982 -2.405 -3.474 1.00 0.00 ? 3 PRO A CG 14 ATOM 7226 C CD . PRO A 1 3 ? -8.305 -2.946 -2.224 1.00 0.00 ? 3 PRO A CD 14 ATOM 7227 H HA . PRO A 1 3 ? -10.802 -4.776 -2.823 1.00 0.00 ? 3 PRO A HA 14 ATOM 7228 H HB2 . PRO A 1 3 ? -8.811 -4.022 -4.882 1.00 0.00 ? 3 PRO A HB2 14 ATOM 7229 H HB3 . PRO A 1 3 ? -10.482 -3.435 -4.649 1.00 0.00 ? 3 PRO A HB3 14 ATOM 7230 H HG2 . PRO A 1 3 ? -8.269 -1.886 -4.115 1.00 0.00 ? 3 PRO A HG2 14 ATOM 7231 H HG3 . PRO A 1 3 ? -9.803 -1.746 -3.189 1.00 0.00 ? 3 PRO A HG3 14 ATOM 7232 H HD2 . PRO A 1 3 ? -7.293 -3.268 -2.472 1.00 0.00 ? 3 PRO A HD2 14 ATOM 7233 H HD3 . PRO A 1 3 ? -8.278 -2.172 -1.459 1.00 0.00 ? 3 PRO A HD3 14 ATOM 7234 N N . PRO A 1 4 ? -9.762 -6.793 -4.370 1.00 0.00 ? 4 PRO A N 14 ATOM 7235 C CA . PRO A 1 4 ? -9.379 -8.165 -4.720 1.00 0.00 ? 4 PRO A CA 14 ATOM 7236 C C . PRO A 1 4 ? -7.878 -8.356 -5.012 1.00 0.00 ? 4 PRO A C 14 ATOM 7237 O O . PRO A 1 4 ? -7.302 -7.711 -5.891 1.00 0.00 ? 4 PRO A O 14 ATOM 7238 C CB . PRO A 1 4 ? -10.254 -8.544 -5.920 1.00 0.00 ? 4 PRO A CB 14 ATOM 7239 C CG . PRO A 1 4 ? -11.515 -7.714 -5.692 1.00 0.00 ? 4 PRO A CG 14 ATOM 7240 C CD . PRO A 1 4 ? -10.956 -6.414 -5.115 1.00 0.00 ? 4 PRO A CD 14 ATOM 7241 H HA . PRO A 1 4 ? -9.659 -8.806 -3.883 1.00 0.00 ? 4 PRO A HA 14 ATOM 7242 H HB2 . PRO A 1 4 ? -9.780 -8.231 -6.853 1.00 0.00 ? 4 PRO A HB2 14 ATOM 7243 H HB3 . PRO A 1 4 ? -10.472 -9.613 -5.939 1.00 0.00 ? 4 PRO A HB3 14 ATOM 7244 H HG2 . PRO A 1 4 ? -12.061 -7.542 -6.621 1.00 0.00 ? 4 PRO A HG2 14 ATOM 7245 H HG3 . PRO A 1 4 ? -12.150 -8.202 -4.952 1.00 0.00 ? 4 PRO A HG3 14 ATOM 7246 H HD2 . PRO A 1 4 ? -10.678 -5.741 -5.929 1.00 0.00 ? 4 PRO A HD2 14 ATOM 7247 H HD3 . PRO A 1 4 ? -11.705 -5.945 -4.475 1.00 0.00 ? 4 PRO A HD3 14 ATOM 7248 N N . GLY A 1 5 ? -7.250 -9.265 -4.261 1.00 0.00 ? 5 GLY A N 14 ATOM 7249 C CA . GLY A 1 5 ? -5.834 -9.635 -4.372 1.00 0.00 ? 5 GLY A CA 14 ATOM 7250 C C . GLY A 1 5 ? -4.823 -8.667 -3.737 1.00 0.00 ? 5 GLY A C 14 ATOM 7251 O O . GLY A 1 5 ? -3.644 -9.015 -3.652 1.00 0.00 ? 5 GLY A O 14 ATOM 7252 H H . GLY A 1 5 ? -7.796 -9.742 -3.555 1.00 0.00 ? 5 GLY A H 14 ATOM 7253 H HA2 . GLY A 1 5 ? -5.698 -10.607 -3.893 1.00 0.00 ? 5 GLY A HA2 14 ATOM 7254 H HA3 . GLY A 1 5 ? -5.579 -9.734 -5.429 1.00 0.00 ? 5 GLY A HA3 14 ATOM 7255 N N . TRP A 1 6 ? -5.239 -7.486 -3.267 1.00 0.00 ? 6 TRP A N 14 ATOM 7256 C CA . TRP A 1 6 ? -4.361 -6.524 -2.584 1.00 0.00 ? 6 TRP A CA 14 ATOM 7257 C C . TRP A 1 6 ? -4.032 -6.893 -1.127 1.00 0.00 ? 6 TRP A C 14 ATOM 7258 O O . TRP A 1 6 ? -4.898 -7.344 -0.374 1.00 0.00 ? 6 TRP A O 14 ATOM 7259 C CB . TRP A 1 6 ? -4.954 -5.113 -2.651 1.00 0.00 ? 6 TRP A CB 14 ATOM 7260 C CG . TRP A 1 6 ? -4.960 -4.445 -3.990 1.00 0.00 ? 6 TRP A CG 14 ATOM 7261 C CD1 . TRP A 1 6 ? -5.954 -4.540 -4.900 1.00 0.00 ? 6 TRP A CD1 14 ATOM 7262 C CD2 . TRP A 1 6 ? -3.861 -3.780 -4.687 1.00 0.00 ? 6 TRP A CD2 14 ATOM 7263 N NE1 . TRP A 1 6 ? -5.610 -3.855 -6.046 1.00 0.00 ? 6 TRP A NE1 14 ATOM 7264 C CE2 . TRP A 1 6 ? -4.308 -3.414 -5.993 1.00 0.00 ? 6 TRP A CE2 14 ATOM 7265 C CE3 . TRP A 1 6 ? -2.536 -3.435 -4.343 1.00 0.00 ? 6 TRP A CE3 14 ATOM 7266 C CZ2 . TRP A 1 6 ? -3.478 -2.771 -6.919 1.00 0.00 ? 6 TRP A CZ2 14 ATOM 7267 C CZ3 . TRP A 1 6 ? -1.698 -2.768 -5.259 1.00 0.00 ? 6 TRP A CZ3 14 ATOM 7268 C CH2 . TRP A 1 6 ? -2.163 -2.442 -6.547 1.00 0.00 ? 6 TRP A CH2 14 ATOM 7269 H H . TRP A 1 6 ? -6.224 -7.264 -3.327 1.00 0.00 ? 6 TRP A H 14 ATOM 7270 H HA . TRP A 1 6 ? -3.414 -6.488 -3.120 1.00 0.00 ? 6 TRP A HA 14 ATOM 7271 H HB2 . TRP A 1 6 ? -5.980 -5.163 -2.293 1.00 0.00 ? 6 TRP A HB2 14 ATOM 7272 H HB3 . TRP A 1 6 ? -4.387 -4.467 -1.976 1.00 0.00 ? 6 TRP A HB3 14 ATOM 7273 H HD1 . TRP A 1 6 ? -6.892 -5.054 -4.737 1.00 0.00 ? 6 TRP A HD1 14 ATOM 7274 H HE1 . TRP A 1 6 ? -6.266 -3.680 -6.816 1.00 0.00 ? 6 TRP A HE1 14 ATOM 7275 H HE3 . TRP A 1 6 ? -2.175 -3.679 -3.354 1.00 0.00 ? 6 TRP A HE3 14 ATOM 7276 H HZ2 . TRP A 1 6 ? -3.853 -2.547 -7.908 1.00 0.00 ? 6 TRP A HZ2 14 ATOM 7277 H HZ3 . TRP A 1 6 ? -0.690 -2.505 -4.975 1.00 0.00 ? 6 TRP A HZ3 14 ATOM 7278 H HH2 . TRP A 1 6 ? -1.509 -1.940 -7.249 1.00 0.00 ? 6 TRP A HH2 14 ATOM 7279 N N . GLU A 1 7 ? -2.790 -6.641 -0.710 1.00 0.00 ? 7 GLU A N 14 ATOM 7280 C CA . GLU A 1 7 ? -2.286 -6.798 0.662 1.00 0.00 ? 7 GLU A CA 14 ATOM 7281 C C . GLU A 1 7 ? -1.116 -5.828 0.943 1.00 0.00 ? 7 GLU A C 14 ATOM 7282 O O . GLU A 1 7 ? -0.401 -5.419 0.022 1.00 0.00 ? 7 GLU A O 14 ATOM 7283 C CB . GLU A 1 7 ? -1.914 -8.280 0.889 1.00 0.00 ? 7 GLU A CB 14 ATOM 7284 C CG . GLU A 1 7 ? -1.205 -8.691 2.196 1.00 0.00 ? 7 GLU A CG 14 ATOM 7285 C CD . GLU A 1 7 ? -1.889 -8.291 3.524 1.00 0.00 ? 7 GLU A CD 14 ATOM 7286 O OE1 . GLU A 1 7 ? -1.644 -8.971 4.550 1.00 0.00 ? 7 GLU A OE1 14 ATOM 7287 O OE2 . GLU A 1 7 ? -2.648 -7.294 3.582 1.00 0.00 ? 7 GLU A OE2 14 ATOM 7288 H H . GLU A 1 7 ? -2.109 -6.344 -1.404 1.00 0.00 ? 7 GLU A H 14 ATOM 7289 H HA . GLU A 1 7 ? -3.088 -6.544 1.349 1.00 0.00 ? 7 GLU A HA 14 ATOM 7290 H HB2 . GLU A 1 7 ? -2.825 -8.876 0.807 1.00 0.00 ? 7 GLU A HB2 14 ATOM 7291 H HB3 . GLU A 1 7 ? -1.263 -8.590 0.070 1.00 0.00 ? 7 GLU A HB3 14 ATOM 7292 H HG2 . GLU A 1 7 ? -1.087 -9.777 2.173 1.00 0.00 ? 7 GLU A HG2 14 ATOM 7293 H HG3 . GLU A 1 7 ? -0.200 -8.271 2.180 1.00 0.00 ? 7 GLU A HG3 14 ATOM 7294 N N . LYS A 1 8 ? -0.911 -5.437 2.207 1.00 0.00 ? 8 LYS A N 14 ATOM 7295 C CA . LYS A 1 8 ? 0.242 -4.616 2.625 1.00 0.00 ? 8 LYS A CA 14 ATOM 7296 C C . LYS A 1 8 ? 1.578 -5.358 2.529 1.00 0.00 ? 8 LYS A C 14 ATOM 7297 O O . LYS A 1 8 ? 1.668 -6.558 2.799 1.00 0.00 ? 8 LYS A O 14 ATOM 7298 C CB . LYS A 1 8 ? 0.041 -4.018 4.026 1.00 0.00 ? 8 LYS A CB 14 ATOM 7299 C CG . LYS A 1 8 ? -0.890 -2.800 3.961 1.00 0.00 ? 8 LYS A CG 14 ATOM 7300 C CD . LYS A 1 8 ? -1.192 -2.198 5.340 1.00 0.00 ? 8 LYS A CD 14 ATOM 7301 C CE . LYS A 1 8 ? 0.037 -1.509 5.950 1.00 0.00 ? 8 LYS A CE 14 ATOM 7302 N NZ . LYS A 1 8 ? -0.275 -0.921 7.279 1.00 0.00 ? 8 LYS A NZ 14 ATOM 7303 H H . LYS A 1 8 ? -1.524 -5.823 2.922 1.00 0.00 ? 8 LYS A H 14 ATOM 7304 H HA . LYS A 1 8 ? 0.321 -3.781 1.925 1.00 0.00 ? 8 LYS A HA 14 ATOM 7305 H HB2 . LYS A 1 8 ? -0.371 -4.775 4.697 1.00 0.00 ? 8 LYS A HB2 14 ATOM 7306 H HB3 . LYS A 1 8 ? 1.006 -3.695 4.419 1.00 0.00 ? 8 LYS A HB3 14 ATOM 7307 H HG2 . LYS A 1 8 ? -0.430 -2.033 3.332 1.00 0.00 ? 8 LYS A HG2 14 ATOM 7308 H HG3 . LYS A 1 8 ? -1.827 -3.113 3.501 1.00 0.00 ? 8 LYS A HG3 14 ATOM 7309 H HD2 . LYS A 1 8 ? -1.987 -1.458 5.223 1.00 0.00 ? 8 LYS A HD2 14 ATOM 7310 H HD3 . LYS A 1 8 ? -1.549 -2.984 6.008 1.00 0.00 ? 8 LYS A HD3 14 ATOM 7311 H HE2 . LYS A 1 8 ? 0.854 -2.230 6.049 1.00 0.00 ? 8 LYS A HE2 14 ATOM 7312 H HE3 . LYS A 1 8 ? 0.371 -0.722 5.268 1.00 0.00 ? 8 LYS A HE3 14 ATOM 7313 H HZ1 . LYS A 1 8 ? 0.536 -0.465 7.677 1.00 0.00 ? 8 LYS A HZ1 14 ATOM 7314 H HZ2 . LYS A 1 8 ? -1.011 -0.232 7.210 1.00 0.00 ? 8 LYS A HZ2 14 ATOM 7315 H HZ3 . LYS A 1 8 ? -0.576 -1.633 7.933 1.00 0.00 ? 8 LYS A HZ3 14 ATOM 7316 N N . ARG A 1 9 ? 2.624 -4.613 2.174 1.00 0.00 ? 9 ARG A N 14 ATOM 7317 C CA . ARG A 1 9 ? 3.998 -5.087 1.925 1.00 0.00 ? 9 ARG A CA 14 ATOM 7318 C C . ARG A 1 9 ? 5.013 -4.021 2.371 1.00 0.00 ? 9 ARG A C 14 ATOM 7319 O O . ARG A 1 9 ? 4.625 -2.889 2.664 1.00 0.00 ? 9 ARG A O 14 ATOM 7320 C CB . ARG A 1 9 ? 4.089 -5.458 0.430 1.00 0.00 ? 9 ARG A CB 14 ATOM 7321 C CG . ARG A 1 9 ? 5.296 -6.332 0.062 1.00 0.00 ? 9 ARG A CG 14 ATOM 7322 C CD . ARG A 1 9 ? 5.125 -6.887 -1.359 1.00 0.00 ? 9 ARG A CD 14 ATOM 7323 N NE . ARG A 1 9 ? 6.321 -7.628 -1.801 1.00 0.00 ? 9 ARG A NE 14 ATOM 7324 C CZ . ARG A 1 9 ? 6.510 -8.936 -1.795 1.00 0.00 ? 9 ARG A CZ 14 ATOM 7325 N NH1 . ARG A 1 9 ? 7.597 -9.442 -2.302 1.00 0.00 ? 9 ARG A NH1 14 ATOM 7326 N NH2 . ARG A 1 9 ? 5.646 -9.770 -1.286 1.00 0.00 ? 9 ARG A NH2 14 ATOM 7327 H H . ARG A 1 9 ? 2.435 -3.628 2.005 1.00 0.00 ? 9 ARG A H 14 ATOM 7328 H HA . ARG A 1 9 ? 4.183 -5.980 2.524 1.00 0.00 ? 9 ARG A HA 14 ATOM 7329 H HB2 . ARG A 1 9 ? 3.190 -6.020 0.168 1.00 0.00 ? 9 ARG A HB2 14 ATOM 7330 H HB3 . ARG A 1 9 ? 4.099 -4.547 -0.172 1.00 0.00 ? 9 ARG A HB3 14 ATOM 7331 H HG2 . ARG A 1 9 ? 6.210 -5.737 0.110 1.00 0.00 ? 9 ARG A HG2 14 ATOM 7332 H HG3 . ARG A 1 9 ? 5.368 -7.168 0.760 1.00 0.00 ? 9 ARG A HG3 14 ATOM 7333 H HD2 . ARG A 1 9 ? 4.239 -7.526 -1.394 1.00 0.00 ? 9 ARG A HD2 14 ATOM 7334 H HD3 . ARG A 1 9 ? 4.971 -6.049 -2.042 1.00 0.00 ? 9 ARG A HD3 14 ATOM 7335 H HE . ARG A 1 9 ? 7.045 -7.077 -2.238 1.00 0.00 ? 9 ARG A HE 14 ATOM 7336 H HH11 . ARG A 1 9 ? 8.297 -8.837 -2.704 1.00 0.00 ? 9 ARG A HH11 14 ATOM 7337 H HH12 . ARG A 1 9 ? 7.744 -10.438 -2.296 1.00 0.00 ? 9 ARG A HH12 14 ATOM 7338 H HH21 . ARG A 1 9 ? 4.803 -9.414 -0.869 1.00 0.00 ? 9 ARG A HH21 14 ATOM 7339 H HH22 . ARG A 1 9 ? 5.824 -10.760 -1.298 1.00 0.00 ? 9 ARG A HH22 14 ATOM 7340 N N . MET A 1 10 ? 6.300 -4.357 2.453 1.00 0.00 ? 10 MET A N 14 ATOM 7341 C CA . MET A 1 10 ? 7.320 -3.464 3.025 1.00 0.00 ? 10 MET A CA 14 ATOM 7342 C C . MET A 1 10 ? 8.725 -3.752 2.478 1.00 0.00 ? 10 MET A C 14 ATOM 7343 O O . MET A 1 10 ? 9.143 -4.905 2.351 1.00 0.00 ? 10 MET A O 14 ATOM 7344 C CB . MET A 1 10 ? 7.299 -3.585 4.561 1.00 0.00 ? 10 MET A CB 14 ATOM 7345 C CG . MET A 1 10 ? 8.155 -2.519 5.259 1.00 0.00 ? 10 MET A CG 14 ATOM 7346 S SD . MET A 1 10 ? 8.238 -2.659 7.066 1.00 0.00 ? 10 MET A SD 14 ATOM 7347 C CE . MET A 1 10 ? 9.355 -4.080 7.225 1.00 0.00 ? 10 MET A CE 14 ATOM 7348 H H . MET A 1 10 ? 6.575 -5.296 2.202 1.00 0.00 ? 10 MET A H 14 ATOM 7349 H HA . MET A 1 10 ? 7.063 -2.440 2.759 1.00 0.00 ? 10 MET A HA 14 ATOM 7350 H HB2 . MET A 1 10 ? 6.274 -3.480 4.920 1.00 0.00 ? 10 MET A HB2 14 ATOM 7351 H HB3 . MET A 1 10 ? 7.655 -4.577 4.843 1.00 0.00 ? 10 MET A HB3 14 ATOM 7352 H HG2 . MET A 1 10 ? 9.171 -2.550 4.870 1.00 0.00 ? 10 MET A HG2 14 ATOM 7353 H HG3 . MET A 1 10 ? 7.732 -1.544 5.024 1.00 0.00 ? 10 MET A HG3 14 ATOM 7354 H HE1 . MET A 1 10 ? 10.294 -3.872 6.709 1.00 0.00 ? 10 MET A HE1 14 ATOM 7355 H HE2 . MET A 1 10 ? 9.560 -4.267 8.279 1.00 0.00 ? 10 MET A HE2 14 ATOM 7356 H HE3 . MET A 1 10 ? 8.894 -4.967 6.790 1.00 0.00 ? 10 MET A HE3 14 ATOM 7357 N N . PHE A 1 11 ? 9.445 -2.678 2.154 1.00 0.00 ? 11 PHE A N 14 ATOM 7358 C CA . PHE A 1 11 ? 10.838 -2.675 1.706 1.00 0.00 ? 11 PHE A CA 14 ATOM 7359 C C . PHE A 1 11 ? 11.883 -2.969 2.798 1.00 0.00 ? 11 PHE A C 14 ATOM 7360 O O . PHE A 1 11 ? 11.616 -2.789 3.989 1.00 0.00 ? 11 PHE A O 14 ATOM 7361 C CB . PHE A 1 11 ? 11.126 -1.352 0.982 1.00 0.00 ? 11 PHE A CB 14 ATOM 7362 C CG . PHE A 1 11 ? 10.435 -1.181 -0.357 1.00 0.00 ? 11 PHE A CG 14 ATOM 7363 C CD1 . PHE A 1 11 ? 10.850 -1.928 -1.477 1.00 0.00 ? 11 PHE A CD1 14 ATOM 7364 C CD2 . PHE A 1 11 ? 9.392 -0.244 -0.493 1.00 0.00 ? 11 PHE A CD2 14 ATOM 7365 C CE1 . PHE A 1 11 ? 10.225 -1.737 -2.724 1.00 0.00 ? 11 PHE A CE1 14 ATOM 7366 C CE2 . PHE A 1 11 ? 8.771 -0.052 -1.739 1.00 0.00 ? 11 PHE A CE2 14 ATOM 7367 C CZ . PHE A 1 11 ? 9.186 -0.798 -2.855 1.00 0.00 ? 11 PHE A CZ 14 ATOM 7368 H H . PHE A 1 11 ? 9.012 -1.771 2.297 1.00 0.00 ? 11 PHE A H 14 ATOM 7369 H HA . PHE A 1 11 ? 10.947 -3.472 0.970 1.00 0.00 ? 11 PHE A HA 14 ATOM 7370 H HB2 . PHE A 1 11 ? 10.825 -0.535 1.639 1.00 0.00 ? 11 PHE A HB2 14 ATOM 7371 H HB3 . PHE A 1 11 ? 12.202 -1.268 0.804 1.00 0.00 ? 11 PHE A HB3 14 ATOM 7372 H HD1 . PHE A 1 11 ? 11.659 -2.641 -1.385 1.00 0.00 ? 11 PHE A HD1 14 ATOM 7373 H HD2 . PHE A 1 11 ? 9.056 0.327 0.360 1.00 0.00 ? 11 PHE A HD2 14 ATOM 7374 H HE1 . PHE A 1 11 ? 10.547 -2.311 -3.583 1.00 0.00 ? 11 PHE A HE1 14 ATOM 7375 H HE2 . PHE A 1 11 ? 7.958 0.655 -1.827 1.00 0.00 ? 11 PHE A HE2 14 ATOM 7376 H HZ . PHE A 1 11 ? 8.700 -0.655 -3.811 1.00 0.00 ? 11 PHE A HZ 14 ATOM 7377 N N . ALA A 1 12 ? 13.102 -3.358 2.408 1.00 0.00 ? 12 ALA A N 14 ATOM 7378 C CA . ALA A 1 12 ? 14.211 -3.637 3.335 1.00 0.00 ? 12 ALA A CA 14 ATOM 7379 C C . ALA A 1 12 ? 14.657 -2.410 4.168 1.00 0.00 ? 12 ALA A C 14 ATOM 7380 O O . ALA A 1 12 ? 15.215 -2.566 5.258 1.00 0.00 ? 12 ALA A O 14 ATOM 7381 C CB . ALA A 1 12 ? 15.377 -4.201 2.515 1.00 0.00 ? 12 ALA A CB 14 ATOM 7382 H H . ALA A 1 12 ? 13.273 -3.490 1.420 1.00 0.00 ? 12 ALA A H 14 ATOM 7383 H HA . ALA A 1 12 ? 13.885 -4.404 4.040 1.00 0.00 ? 12 ALA A HA 14 ATOM 7384 H HB1 . ALA A 1 12 ? 15.728 -3.457 1.799 1.00 0.00 ? 12 ALA A HB1 14 ATOM 7385 H HB2 . ALA A 1 12 ? 16.199 -4.468 3.181 1.00 0.00 ? 12 ALA A HB2 14 ATOM 7386 H HB3 . ALA A 1 12 ? 15.057 -5.096 1.980 1.00 0.00 ? 12 ALA A HB3 14 ATOM 7387 N N . ASN A 1 13 ? 14.388 -1.191 3.681 1.00 0.00 ? 13 ASN A N 14 ATOM 7388 C CA . ASN A 1 13 ? 14.609 0.080 4.389 1.00 0.00 ? 13 ASN A CA 14 ATOM 7389 C C . ASN A 1 13 ? 13.511 0.436 5.426 1.00 0.00 ? 13 ASN A C 14 ATOM 7390 O O . ASN A 1 13 ? 13.640 1.442 6.130 1.00 0.00 ? 13 ASN A O 14 ATOM 7391 C CB . ASN A 1 13 ? 14.799 1.204 3.346 1.00 0.00 ? 13 ASN A CB 14 ATOM 7392 C CG . ASN A 1 13 ? 13.611 1.397 2.411 1.00 0.00 ? 13 ASN A CG 14 ATOM 7393 O OD1 . ASN A 1 13 ? 12.503 0.965 2.711 1.00 0.00 ? 13 ASN A OD1 14 ATOM 7394 N ND2 . ASN A 1 13 ? 13.832 2.052 1.281 1.00 0.00 ? 13 ASN A ND2 14 ATOM 7395 H H . ASN A 1 13 ? 13.933 -1.150 2.780 1.00 0.00 ? 13 ASN A H 14 ATOM 7396 H HA . ASN A 1 13 ? 15.540 -0.002 4.953 1.00 0.00 ? 13 ASN A HA 14 ATOM 7397 H HB2 . ASN A 1 13 ? 14.986 2.150 3.858 1.00 0.00 ? 13 ASN A HB2 14 ATOM 7398 H HB3 . ASN A 1 13 ? 15.675 0.964 2.740 1.00 0.00 ? 13 ASN A HB3 14 ATOM 7399 H HD21 . ASN A 1 13 ? 14.766 2.380 1.083 1.00 0.00 ? 13 ASN A HD21 14 ATOM 7400 N N . GLY A 1 14 ? 12.437 -0.360 5.529 1.00 0.00 ? 14 GLY A N 14 ATOM 7401 C CA . GLY A 1 14 ? 11.314 -0.139 6.451 1.00 0.00 ? 14 GLY A CA 14 ATOM 7402 C C . GLY A 1 14 ? 10.162 0.722 5.905 1.00 0.00 ? 14 GLY A C 14 ATOM 7403 O O . GLY A 1 14 ? 9.333 1.185 6.692 1.00 0.00 ? 14 GLY A O 14 ATOM 7404 H H . GLY A 1 14 ? 12.387 -1.172 4.925 1.00 0.00 ? 14 GLY A H 14 ATOM 7405 H HA2 . GLY A 1 14 ? 10.895 -1.115 6.706 1.00 0.00 ? 14 GLY A HA2 14 ATOM 7406 H HA3 . GLY A 1 14 ? 11.681 0.329 7.368 1.00 0.00 ? 14 GLY A HA3 14 ATOM 7407 N N . THR A 1 15 ? 10.067 0.930 4.585 1.00 0.00 ? 15 THR A N 14 ATOM 7408 C CA . THR A 1 15 ? 9.000 1.732 3.951 1.00 0.00 ? 15 THR A CA 14 ATOM 7409 C C . THR A 1 15 ? 7.883 0.784 3.510 1.00 0.00 ? 15 THR A C 14 ATOM 7410 O O . THR A 1 15 ? 8.131 -0.210 2.824 1.00 0.00 ? 15 THR A O 14 ATOM 7411 C CB . THR A 1 15 ? 9.556 2.473 2.721 1.00 0.00 ? 15 THR A CB 14 ATOM 7412 O OG1 . THR A 1 15 ? 10.388 3.525 3.154 1.00 0.00 ? 15 THR A OG1 14 ATOM 7413 C CG2 . THR A 1 15 ? 8.494 3.104 1.818 1.00 0.00 ? 15 THR A CG2 14 ATOM 7414 H H . THR A 1 15 ? 10.809 0.581 3.991 1.00 0.00 ? 15 THR A H 14 ATOM 7415 H HA . THR A 1 15 ? 8.598 2.468 4.649 1.00 0.00 ? 15 THR A HA 14 ATOM 7416 H HB . THR A 1 15 ? 10.141 1.780 2.116 1.00 0.00 ? 15 THR A HB 14 ATOM 7417 H HG1 . THR A 1 15 ? 10.853 3.845 2.361 1.00 0.00 ? 15 THR A HG1 14 ATOM 7418 H HG21 . THR A 1 15 ? 8.976 3.714 1.054 1.00 0.00 ? 15 THR A HG21 14 ATOM 7419 H HG22 . THR A 1 15 ? 7.917 2.328 1.314 1.00 0.00 ? 15 THR A HG22 14 ATOM 7420 H HG23 . THR A 1 15 ? 7.824 3.730 2.409 1.00 0.00 ? 15 THR A HG23 14 ATOM 7421 N N . VAL A 1 16 ? 6.638 1.104 3.876 1.00 0.00 ? 16 VAL A N 14 ATOM 7422 C CA . VAL A 1 16 ? 5.442 0.274 3.624 1.00 0.00 ? 16 VAL A CA 14 ATOM 7423 C C . VAL A 1 16 ? 4.766 0.740 2.330 1.00 0.00 ? 16 VAL A C 14 ATOM 7424 O O . VAL A 1 16 ? 4.733 1.934 2.014 1.00 0.00 ? 16 VAL A O 14 ATOM 7425 C CB . VAL A 1 16 ? 4.462 0.387 4.816 1.00 0.00 ? 16 VAL A CB 14 ATOM 7426 C CG1 . VAL A 1 16 ? 3.052 -0.157 4.546 1.00 0.00 ? 16 VAL A CG1 14 ATOM 7427 C CG2 . VAL A 1 16 ? 5.002 -0.381 6.029 1.00 0.00 ? 16 VAL A CG2 14 ATOM 7428 H H . VAL A 1 16 ? 6.507 1.959 4.399 1.00 0.00 ? 16 VAL A H 14 ATOM 7429 H HA . VAL A 1 16 ? 5.729 -0.769 3.510 1.00 0.00 ? 16 VAL A HA 14 ATOM 7430 H HB . VAL A 1 16 ? 4.362 1.439 5.090 1.00 0.00 ? 16 VAL A HB 14 ATOM 7431 H HG11 . VAL A 1 16 ? 2.553 0.434 3.778 1.00 0.00 ? 16 VAL A HG11 14 ATOM 7432 H HG12 . VAL A 1 16 ? 3.102 -1.200 4.230 1.00 0.00 ? 16 VAL A HG12 14 ATOM 7433 H HG13 . VAL A 1 16 ? 2.459 -0.083 5.456 1.00 0.00 ? 16 VAL A HG13 14 ATOM 7434 H HG21 . VAL A 1 16 ? 5.982 0.002 6.314 1.00 0.00 ? 16 VAL A HG21 14 ATOM 7435 H HG22 . VAL A 1 16 ? 4.319 -0.262 6.872 1.00 0.00 ? 16 VAL A HG22 14 ATOM 7436 H HG23 . VAL A 1 16 ? 5.081 -1.442 5.790 1.00 0.00 ? 16 VAL A HG23 14 ATOM 7437 N N . TYR A 1 17 ? 4.200 -0.216 1.593 1.00 0.00 ? 17 TYR A N 14 ATOM 7438 C CA . TYR A 1 17 ? 3.440 -0.006 0.358 1.00 0.00 ? 17 TYR A CA 14 ATOM 7439 C C . TYR A 1 17 ? 2.345 -1.084 0.218 1.00 0.00 ? 17 TYR A C 14 ATOM 7440 O O . TYR A 1 17 ? 2.193 -1.965 1.071 1.00 0.00 ? 17 TYR A O 14 ATOM 7441 C CB . TYR A 1 17 ? 4.420 -0.012 -0.834 1.00 0.00 ? 17 TYR A CB 14 ATOM 7442 C CG . TYR A 1 17 ? 5.146 -1.316 -1.130 1.00 0.00 ? 17 TYR A CG 14 ATOM 7443 C CD1 . TYR A 1 17 ? 6.283 -1.681 -0.381 1.00 0.00 ? 17 TYR A CD1 14 ATOM 7444 C CD2 . TYR A 1 17 ? 4.742 -2.118 -2.218 1.00 0.00 ? 17 TYR A CD2 14 ATOM 7445 C CE1 . TYR A 1 17 ? 7.038 -2.813 -0.744 1.00 0.00 ? 17 TYR A CE1 14 ATOM 7446 C CE2 . TYR A 1 17 ? 5.488 -3.259 -2.576 1.00 0.00 ? 17 TYR A CE2 14 ATOM 7447 C CZ . TYR A 1 17 ? 6.654 -3.592 -1.854 1.00 0.00 ? 17 TYR A CZ 14 ATOM 7448 O OH . TYR A 1 17 ? 7.417 -4.649 -2.240 1.00 0.00 ? 17 TYR A OH 14 ATOM 7449 H H . TYR A 1 17 ? 4.245 -1.170 1.939 1.00 0.00 ? 17 TYR A H 14 ATOM 7450 H HA . TYR A 1 17 ? 2.945 0.966 0.393 1.00 0.00 ? 17 TYR A HA 14 ATOM 7451 H HB2 . TYR A 1 17 ? 3.880 0.294 -1.729 1.00 0.00 ? 17 TYR A HB2 14 ATOM 7452 H HB3 . TYR A 1 17 ? 5.175 0.759 -0.662 1.00 0.00 ? 17 TYR A HB3 14 ATOM 7453 H HD1 . TYR A 1 17 ? 6.609 -1.060 0.444 1.00 0.00 ? 17 TYR A HD1 14 ATOM 7454 H HD2 . TYR A 1 17 ? 3.879 -1.839 -2.809 1.00 0.00 ? 17 TYR A HD2 14 ATOM 7455 H HE1 . TYR A 1 17 ? 7.936 -3.060 -0.200 1.00 0.00 ? 17 TYR A HE1 14 ATOM 7456 H HE2 . TYR A 1 17 ? 5.190 -3.865 -3.420 1.00 0.00 ? 17 TYR A HE2 14 ATOM 7457 H HH . TYR A 1 17 ? 8.283 -4.626 -1.816 1.00 0.00 ? 17 TYR A HH 14 ATOM 7458 N N . TYR A 1 18 ? 1.570 -1.015 -0.862 1.00 0.00 ? 18 TYR A N 14 ATOM 7459 C CA . TYR A 1 18 ? 0.500 -1.953 -1.203 1.00 0.00 ? 18 TYR A CA 14 ATOM 7460 C C . TYR A 1 18 ? 0.859 -2.807 -2.423 1.00 0.00 ? 18 TYR A C 14 ATOM 7461 O O . TYR A 1 18 ? 1.414 -2.295 -3.399 1.00 0.00 ? 18 TYR A O 14 ATOM 7462 C CB . TYR A 1 18 ? -0.823 -1.195 -1.392 1.00 0.00 ? 18 TYR A CB 14 ATOM 7463 C CG . TYR A 1 18 ? -1.304 -0.504 -0.128 1.00 0.00 ? 18 TYR A CG 14 ATOM 7464 C CD1 . TYR A 1 18 ? -0.897 0.819 0.142 1.00 0.00 ? 18 TYR A CD1 14 ATOM 7465 C CD2 . TYR A 1 18 ? -2.125 -1.188 0.790 1.00 0.00 ? 18 TYR A CD2 14 ATOM 7466 C CE1 . TYR A 1 18 ? -1.293 1.453 1.336 1.00 0.00 ? 18 TYR A CE1 14 ATOM 7467 C CE2 . TYR A 1 18 ? -2.533 -0.551 1.978 1.00 0.00 ? 18 TYR A CE2 14 ATOM 7468 C CZ . TYR A 1 18 ? -2.113 0.766 2.258 1.00 0.00 ? 18 TYR A CZ 14 ATOM 7469 O OH . TYR A 1 18 ? -2.497 1.364 3.417 1.00 0.00 ? 18 TYR A OH 14 ATOM 7470 H H . TYR A 1 18 ? 1.743 -0.268 -1.526 1.00 0.00 ? 18 TYR A H 14 ATOM 7471 H HA . TYR A 1 18 ? 0.351 -2.641 -0.371 1.00 0.00 ? 18 TYR A HA 14 ATOM 7472 H HB2 . TYR A 1 18 ? -0.703 -0.454 -2.186 1.00 0.00 ? 18 TYR A HB2 14 ATOM 7473 H HB3 . TYR A 1 18 ? -1.589 -1.909 -1.705 1.00 0.00 ? 18 TYR A HB3 14 ATOM 7474 H HD1 . TYR A 1 18 ? -0.266 1.343 -0.565 1.00 0.00 ? 18 TYR A HD1 14 ATOM 7475 H HD2 . TYR A 1 18 ? -2.434 -2.206 0.588 1.00 0.00 ? 18 TYR A HD2 14 ATOM 7476 H HE1 . TYR A 1 18 ? -0.968 2.464 1.545 1.00 0.00 ? 18 TYR A HE1 14 ATOM 7477 H HE2 . TYR A 1 18 ? -3.153 -1.071 2.694 1.00 0.00 ? 18 TYR A HE2 14 ATOM 7478 H HH . TYR A 1 18 ? -2.128 2.252 3.500 1.00 0.00 ? 18 TYR A HH 14 ATOM 7479 N N . PHE A 1 19 ? 0.541 -4.100 -2.384 1.00 0.00 ? 19 PHE A N 14 ATOM 7480 C CA . PHE A 1 19 ? 0.891 -5.064 -3.427 1.00 0.00 ? 19 PHE A CA 14 ATOM 7481 C C . PHE A 1 19 ? -0.224 -6.061 -3.759 1.00 0.00 ? 19 PHE A C 14 ATOM 7482 O O . PHE A 1 19 ? -0.859 -6.603 -2.853 1.00 0.00 ? 19 PHE A O 14 ATOM 7483 C CB . PHE A 1 19 ? 2.219 -5.746 -3.076 1.00 0.00 ? 19 PHE A CB 14 ATOM 7484 C CG . PHE A 1 19 ? 2.589 -6.847 -4.043 1.00 0.00 ? 19 PHE A CG 14 ATOM 7485 C CD1 . PHE A 1 19 ? 3.045 -6.472 -5.315 1.00 0.00 ? 19 PHE A CD1 14 ATOM 7486 C CD2 . PHE A 1 19 ? 2.423 -8.209 -3.728 1.00 0.00 ? 19 PHE A CD2 14 ATOM 7487 C CE1 . PHE A 1 19 ? 3.320 -7.443 -6.285 1.00 0.00 ? 19 PHE A CE1 14 ATOM 7488 C CE2 . PHE A 1 19 ? 2.728 -9.188 -4.692 1.00 0.00 ? 19 PHE A CE2 14 ATOM 7489 C CZ . PHE A 1 19 ? 3.171 -8.806 -5.973 1.00 0.00 ? 19 PHE A CZ 14 ATOM 7490 H H . PHE A 1 19 ? 0.104 -4.470 -1.544 1.00 0.00 ? 19 PHE A H 14 ATOM 7491 H HA . PHE A 1 19 ? 1.077 -4.524 -4.356 1.00 0.00 ? 19 PHE A HA 14 ATOM 7492 H HB2 . PHE A 1 19 ? 3.012 -4.994 -3.073 1.00 0.00 ? 19 PHE A HB2 14 ATOM 7493 H HB3 . PHE A 1 19 ? 2.143 -6.171 -2.073 1.00 0.00 ? 19 PHE A HB3 14 ATOM 7494 H HD1 . PHE A 1 19 ? 3.151 -5.427 -5.563 1.00 0.00 ? 19 PHE A HD1 14 ATOM 7495 H HD2 . PHE A 1 19 ? 2.048 -8.510 -2.758 1.00 0.00 ? 19 PHE A HD2 14 ATOM 7496 H HE1 . PHE A 1 19 ? 3.626 -7.114 -7.265 1.00 0.00 ? 19 PHE A HE1 14 ATOM 7497 H HE2 . PHE A 1 19 ? 2.605 -10.236 -4.453 1.00 0.00 ? 19 PHE A HE2 14 ATOM 7498 H HZ . PHE A 1 19 ? 3.384 -9.561 -6.719 1.00 0.00 ? 19 PHE A HZ 14 ATOM 7499 N N . ASN A 1 20 ? -0.475 -6.310 -5.045 1.00 0.00 ? 20 ASN A N 14 ATOM 7500 C CA . ASN A 1 20 ? -1.493 -7.249 -5.502 1.00 0.00 ? 20 ASN A CA 14 ATOM 7501 C C . ASN A 1 20 ? -0.860 -8.600 -5.880 1.00 0.00 ? 20 ASN A C 14 ATOM 7502 O O . ASN A 1 20 ? -0.125 -8.699 -6.865 1.00 0.00 ? 20 ASN A O 14 ATOM 7503 C CB . ASN A 1 20 ? -2.269 -6.613 -6.662 1.00 0.00 ? 20 ASN A CB 14 ATOM 7504 C CG . ASN A 1 20 ? -3.559 -7.371 -6.910 1.00 0.00 ? 20 ASN A CG 14 ATOM 7505 O OD1 . ASN A 1 20 ? -3.566 -8.581 -7.073 1.00 0.00 ? 20 ASN A OD1 14 ATOM 7506 N ND2 . ASN A 1 20 ? -4.680 -6.694 -6.945 1.00 0.00 ? 20 ASN A ND2 14 ATOM 7507 H H . ASN A 1 20 ? 0.087 -5.844 -5.749 1.00 0.00 ? 20 ASN A H 14 ATOM 7508 H HA . ASN A 1 20 ? -2.199 -7.420 -4.697 1.00 0.00 ? 20 ASN A HA 14 ATOM 7509 H HB2 . ASN A 1 20 ? -2.506 -5.581 -6.410 1.00 0.00 ? 20 ASN A HB2 14 ATOM 7510 H HB3 . ASN A 1 20 ? -1.666 -6.623 -7.569 1.00 0.00 ? 20 ASN A HB3 14 ATOM 7511 H HD21 . ASN A 1 20 ? -4.675 -5.706 -6.732 1.00 0.00 ? 20 ASN A HD21 14 ATOM 7512 H HD22 . ASN A 1 20 ? -5.555 -7.201 -6.978 1.00 0.00 ? 20 ASN A HD22 14 ATOM 7513 N N . HIS A 1 21 ? -1.165 -9.657 -5.123 1.00 0.00 ? 21 HIS A N 14 ATOM 7514 C CA . HIS A 1 21 ? -0.583 -10.991 -5.340 1.00 0.00 ? 21 HIS A CA 14 ATOM 7515 C C . HIS A 1 21 ? -1.197 -11.744 -6.539 1.00 0.00 ? 21 HIS A C 14 ATOM 7516 O O . HIS A 1 21 ? -0.576 -12.666 -7.073 1.00 0.00 ? 21 HIS A O 14 ATOM 7517 C CB . HIS A 1 21 ? -0.646 -11.794 -4.026 1.00 0.00 ? 21 HIS A CB 14 ATOM 7518 C CG . HIS A 1 21 ? -1.857 -12.684 -3.849 1.00 0.00 ? 21 HIS A CG 14 ATOM 7519 N ND1 . HIS A 1 21 ? -1.910 -14.045 -4.172 1.00 0.00 ? 21 HIS A ND1 14 ATOM 7520 C CD2 . HIS A 1 21 ? -3.054 -12.320 -3.302 1.00 0.00 ? 21 HIS A CD2 14 ATOM 7521 C CE1 . HIS A 1 21 ? -3.133 -14.467 -3.809 1.00 0.00 ? 21 HIS A CE1 14 ATOM 7522 N NE2 . HIS A 1 21 ? -3.840 -13.452 -3.284 1.00 0.00 ? 21 HIS A NE2 14 ATOM 7523 H H . HIS A 1 21 ? -1.822 -9.528 -4.361 1.00 0.00 ? 21 HIS A H 14 ATOM 7524 H HA . HIS A 1 21 ? 0.473 -10.855 -5.580 1.00 0.00 ? 21 HIS A HA 14 ATOM 7525 H HB2 . HIS A 1 21 ? 0.238 -12.436 -3.996 1.00 0.00 ? 21 HIS A HB2 14 ATOM 7526 H HB3 . HIS A 1 21 ? -0.580 -11.111 -3.175 1.00 0.00 ? 21 HIS A HB3 14 ATOM 7527 H HD2 . HIS A 1 21 ? -3.328 -11.337 -2.945 1.00 0.00 ? 21 HIS A HD2 14 ATOM 7528 H HE1 . HIS A 1 21 ? -3.500 -15.482 -3.922 1.00 0.00 ? 21 HIS A HE1 14 ATOM 7529 H HE2 . HIS A 1 21 ? -4.789 -13.525 -2.927 1.00 0.00 ? 21 HIS A HE2 14 ATOM 7530 N N . ILE A 1 22 ? -2.390 -11.335 -6.989 1.00 0.00 ? 22 ILE A N 14 ATOM 7531 C CA . ILE A 1 22 ? -3.121 -11.913 -8.129 1.00 0.00 ? 22 ILE A CA 14 ATOM 7532 C C . ILE A 1 22 ? -2.628 -11.324 -9.463 1.00 0.00 ? 22 ILE A C 14 ATOM 7533 O O . ILE A 1 22 ? -2.484 -12.048 -10.451 1.00 0.00 ? 22 ILE A O 14 ATOM 7534 C CB . ILE A 1 22 ? -4.637 -11.648 -7.942 1.00 0.00 ? 22 ILE A CB 14 ATOM 7535 C CG1 . ILE A 1 22 ? -5.183 -12.196 -6.600 1.00 0.00 ? 22 ILE A CG1 14 ATOM 7536 C CG2 . ILE A 1 22 ? -5.465 -12.184 -9.123 1.00 0.00 ? 22 ILE A CG2 14 ATOM 7537 C CD1 . ILE A 1 22 ? -5.238 -13.722 -6.480 1.00 0.00 ? 22 ILE A CD1 14 ATOM 7538 H H . ILE A 1 22 ? -2.818 -10.543 -6.528 1.00 0.00 ? 22 ILE A H 14 ATOM 7539 H HA . ILE A 1 22 ? -2.953 -12.990 -8.159 1.00 0.00 ? 22 ILE A HA 14 ATOM 7540 H HB . ILE A 1 22 ? -4.788 -10.567 -7.932 1.00 0.00 ? 22 ILE A HB 14 ATOM 7541 H HG12 . ILE A 1 22 ? -4.570 -11.821 -5.778 1.00 0.00 ? 22 ILE A HG12 14 ATOM 7542 H HG13 . ILE A 1 22 ? -6.194 -11.811 -6.448 1.00 0.00 ? 22 ILE A HG13 14 ATOM 7543 H HG21 . ILE A 1 22 ? -5.243 -11.614 -10.025 1.00 0.00 ? 22 ILE A HG21 14 ATOM 7544 H HG22 . ILE A 1 22 ? -5.236 -13.234 -9.301 1.00 0.00 ? 22 ILE A HG22 14 ATOM 7545 H HG23 . ILE A 1 22 ? -6.528 -12.075 -8.906 1.00 0.00 ? 22 ILE A HG23 14 ATOM 7546 H HD11 . ILE A 1 22 ? -5.909 -14.140 -7.229 1.00 0.00 ? 22 ILE A HD11 14 ATOM 7547 H HD12 . ILE A 1 22 ? -4.241 -14.144 -6.597 1.00 0.00 ? 22 ILE A HD12 14 ATOM 7548 H HD13 . ILE A 1 22 ? -5.622 -13.979 -5.494 1.00 0.00 ? 22 ILE A HD13 14 ATOM 7549 N N . THR A 1 23 ? -2.359 -10.014 -9.487 1.00 0.00 ? 23 THR A N 14 ATOM 7550 C CA . THR A 1 23 ? -2.051 -9.218 -10.695 1.00 0.00 ? 23 THR A CA 14 ATOM 7551 C C . THR A 1 23 ? -0.617 -8.693 -10.820 1.00 0.00 ? 23 THR A C 14 ATOM 7552 O O . THR A 1 23 ? -0.246 -8.156 -11.866 1.00 0.00 ? 23 THR A O 14 ATOM 7553 C CB . THR A 1 23 ? -3.065 -8.076 -10.882 1.00 0.00 ? 23 THR A CB 14 ATOM 7554 O OG1 . THR A 1 23 ? -2.737 -7.012 -10.019 1.00 0.00 ? 23 THR A OG1 14 ATOM 7555 C CG2 . THR A 1 23 ? -4.518 -8.441 -10.586 1.00 0.00 ? 23 THR A CG2 14 ATOM 7556 H H . THR A 1 23 ? -2.540 -9.498 -8.633 1.00 0.00 ? 23 THR A H 14 ATOM 7557 H HA . THR A 1 23 ? -2.187 -9.868 -11.558 1.00 0.00 ? 23 THR A HA 14 ATOM 7558 H HB . THR A 1 23 ? -3.001 -7.719 -11.910 1.00 0.00 ? 23 THR A HB 14 ATOM 7559 H HG1 . THR A 1 23 ? -3.575 -6.595 -9.786 1.00 0.00 ? 23 THR A HG1 14 ATOM 7560 H HG21 . THR A 1 23 ? -4.796 -9.320 -11.167 1.00 0.00 ? 23 THR A HG21 14 ATOM 7561 H HG22 . THR A 1 23 ? -4.656 -8.649 -9.525 1.00 0.00 ? 23 THR A HG22 14 ATOM 7562 H HG23 . THR A 1 23 ? -5.165 -7.612 -10.872 1.00 0.00 ? 23 THR A HG23 14 ATOM 7563 N N . ASN A 1 24 ? 0.191 -8.839 -9.763 1.00 0.00 ? 24 ASN A N 14 ATOM 7564 C CA . ASN A 1 24 ? 1.539 -8.276 -9.607 1.00 0.00 ? 24 ASN A CA 14 ATOM 7565 C C . ASN A 1 24 ? 1.614 -6.730 -9.644 1.00 0.00 ? 24 ASN A C 14 ATOM 7566 O O . ASN A 1 24 ? 2.712 -6.168 -9.720 1.00 0.00 ? 24 ASN A O 14 ATOM 7567 C CB . ASN A 1 24 ? 2.549 -8.988 -10.536 1.00 0.00 ? 24 ASN A CB 14 ATOM 7568 C CG . ASN A 1 24 ? 2.647 -10.482 -10.266 1.00 0.00 ? 24 ASN A CG 14 ATOM 7569 O OD1 . ASN A 1 24 ? 1.902 -11.291 -10.801 1.00 0.00 ? 24 ASN A OD1 14 ATOM 7570 N ND2 . ASN A 1 24 ? 3.603 -10.905 -9.468 1.00 0.00 ? 24 ASN A ND2 14 ATOM 7571 H H . ASN A 1 24 ? -0.208 -9.270 -8.938 1.00 0.00 ? 24 ASN A H 14 ATOM 7572 H HA . ASN A 1 24 ? 1.841 -8.523 -8.589 1.00 0.00 ? 24 ASN A HA 14 ATOM 7573 H HB2 . ASN A 1 24 ? 2.265 -8.840 -11.579 1.00 0.00 ? 24 ASN A HB2 14 ATOM 7574 H HB3 . ASN A 1 24 ? 3.539 -8.550 -10.388 1.00 0.00 ? 24 ASN A HB3 14 ATOM 7575 H HD21 . ASN A 1 24 ? 4.249 -10.248 -9.054 1.00 0.00 ? 24 ASN A HD21 14 ATOM 7576 H HD22 . ASN A 1 24 ? 3.683 -11.901 -9.305 1.00 0.00 ? 24 ASN A HD22 14 ATOM 7577 N N . ALA A 1 25 ? 0.478 -6.024 -9.568 1.00 0.00 ? 25 ALA A N 14 ATOM 7578 C CA . ALA A 1 25 ? 0.442 -4.566 -9.417 1.00 0.00 ? 25 ALA A CA 14 ATOM 7579 C C . ALA A 1 25 ? 0.989 -4.106 -8.046 1.00 0.00 ? 25 ALA A C 14 ATOM 7580 O O . ALA A 1 25 ? 0.934 -4.844 -7.060 1.00 0.00 ? 25 ALA A O 14 ATOM 7581 C CB . ALA A 1 25 ? -0.996 -4.082 -9.644 1.00 0.00 ? 25 ALA A CB 14 ATOM 7582 H H . ALA A 1 25 ? -0.402 -6.523 -9.539 1.00 0.00 ? 25 ALA A H 14 ATOM 7583 H HA . ALA A 1 25 ? 1.070 -4.123 -10.191 1.00 0.00 ? 25 ALA A HA 14 ATOM 7584 H HB1 . ALA A 1 25 ? -1.030 -2.992 -9.607 1.00 0.00 ? 25 ALA A HB1 14 ATOM 7585 H HB2 . ALA A 1 25 ? -1.348 -4.410 -10.624 1.00 0.00 ? 25 ALA A HB2 14 ATOM 7586 H HB3 . ALA A 1 25 ? -1.653 -4.484 -8.873 1.00 0.00 ? 25 ALA A HB3 14 ATOM 7587 N N . SER A 1 26 ? 1.488 -2.868 -7.966 1.00 0.00 ? 26 SER A N 14 ATOM 7588 C CA . SER A 1 26 ? 1.976 -2.243 -6.721 1.00 0.00 ? 26 SER A CA 14 ATOM 7589 C C . SER A 1 26 ? 1.638 -0.746 -6.656 1.00 0.00 ? 26 SER A C 14 ATOM 7590 O O . SER A 1 26 ? 1.560 -0.076 -7.691 1.00 0.00 ? 26 SER A O 14 ATOM 7591 C CB . SER A 1 26 ? 3.485 -2.463 -6.533 1.00 0.00 ? 26 SER A CB 14 ATOM 7592 O OG . SER A 1 26 ? 4.243 -1.906 -7.594 1.00 0.00 ? 26 SER A OG 14 ATOM 7593 H H . SER A 1 26 ? 1.480 -2.293 -8.797 1.00 0.00 ? 26 SER A H 14 ATOM 7594 H HA . SER A 1 26 ? 1.488 -2.740 -5.885 1.00 0.00 ? 26 SER A HA 14 ATOM 7595 H HB2 . SER A 1 26 ? 3.792 -2.002 -5.593 1.00 0.00 ? 26 SER A HB2 14 ATOM 7596 H HB3 . SER A 1 26 ? 3.690 -3.530 -6.466 1.00 0.00 ? 26 SER A HB3 14 ATOM 7597 H HG . SER A 1 26 ? 4.110 -2.461 -8.376 1.00 0.00 ? 26 SER A HG 14 ATOM 7598 N N . GLN A 1 27 ? 1.446 -0.210 -5.445 1.00 0.00 ? 27 GLN A N 14 ATOM 7599 C CA . GLN A 1 27 ? 1.153 1.208 -5.186 1.00 0.00 ? 27 GLN A CA 14 ATOM 7600 C C . GLN A 1 27 ? 1.715 1.721 -3.853 1.00 0.00 ? 27 GLN A C 14 ATOM 7601 O O . GLN A 1 27 ? 1.645 1.038 -2.833 1.00 0.00 ? 27 GLN A O 14 ATOM 7602 C CB . GLN A 1 27 ? -0.366 1.470 -5.167 1.00 0.00 ? 27 GLN A CB 14 ATOM 7603 C CG . GLN A 1 27 ? -1.027 1.509 -6.549 1.00 0.00 ? 27 GLN A CG 14 ATOM 7604 C CD . GLN A 1 27 ? -2.500 1.938 -6.545 1.00 0.00 ? 27 GLN A CD 14 ATOM 7605 O OE1 . GLN A 1 27 ? -3.188 1.842 -7.555 1.00 0.00 ? 27 GLN A OE1 14 ATOM 7606 N NE2 . GLN A 1 27 ? -3.042 2.499 -5.482 1.00 0.00 ? 27 GLN A NE2 14 ATOM 7607 H H . GLN A 1 27 ? 1.510 -0.824 -4.638 1.00 0.00 ? 27 GLN A H 14 ATOM 7608 H HA . GLN A 1 27 ? 1.597 1.813 -5.979 1.00 0.00 ? 27 GLN A HA 14 ATOM 7609 H HB2 . GLN A 1 27 ? -0.863 0.726 -4.540 1.00 0.00 ? 27 GLN A HB2 14 ATOM 7610 H HB3 . GLN A 1 27 ? -0.514 2.452 -4.718 1.00 0.00 ? 27 GLN A HB3 14 ATOM 7611 H HG2 . GLN A 1 27 ? -0.477 2.226 -7.159 1.00 0.00 ? 27 GLN A HG2 14 ATOM 7612 H HG3 . GLN A 1 27 ? -0.961 0.523 -7.005 1.00 0.00 ? 27 GLN A HG3 14 ATOM 7613 H HE21 . GLN A 1 27 ? -2.522 2.582 -4.609 1.00 0.00 ? 27 GLN A HE21 14 ATOM 7614 H HE22 . GLN A 1 27 ? -3.988 2.839 -5.561 1.00 0.00 ? 27 GLN A HE22 14 ATOM 7615 N N . PHE A 1 28 ? 2.206 2.964 -3.846 1.00 0.00 ? 28 PHE A N 14 ATOM 7616 C CA . PHE A 1 28 ? 2.569 3.684 -2.618 1.00 0.00 ? 28 PHE A CA 14 ATOM 7617 C C . PHE A 1 28 ? 1.384 4.263 -1.821 1.00 0.00 ? 28 PHE A C 14 ATOM 7618 O O . PHE A 1 28 ? 1.498 4.551 -0.628 1.00 0.00 ? 28 PHE A O 14 ATOM 7619 C CB . PHE A 1 28 ? 3.673 4.717 -2.889 1.00 0.00 ? 28 PHE A CB 14 ATOM 7620 C CG . PHE A 1 28 ? 5.061 4.123 -3.045 1.00 0.00 ? 28 PHE A CG 14 ATOM 7621 C CD1 . PHE A 1 28 ? 5.571 3.840 -4.328 1.00 0.00 ? 28 PHE A CD1 14 ATOM 7622 C CD2 . PHE A 1 28 ? 5.852 3.866 -1.908 1.00 0.00 ? 28 PHE A CD2 14 ATOM 7623 C CE1 . PHE A 1 28 ? 6.868 3.313 -4.473 1.00 0.00 ? 28 PHE A CE1 14 ATOM 7624 C CE2 . PHE A 1 28 ? 7.151 3.345 -2.055 1.00 0.00 ? 28 PHE A CE2 14 ATOM 7625 C CZ . PHE A 1 28 ? 7.659 3.069 -3.336 1.00 0.00 ? 28 PHE A CZ 14 ATOM 7626 H H . PHE A 1 28 ? 2.264 3.465 -4.722 1.00 0.00 ? 28 PHE A H 14 ATOM 7627 H HA . PHE A 1 28 ? 3.012 2.955 -1.939 1.00 0.00 ? 28 PHE A HA 14 ATOM 7628 H HB2 . PHE A 1 28 ? 3.415 5.294 -3.782 1.00 0.00 ? 28 PHE A HB2 14 ATOM 7629 H HB3 . PHE A 1 28 ? 3.711 5.412 -2.045 1.00 0.00 ? 28 PHE A HB3 14 ATOM 7630 H HD1 . PHE A 1 28 ? 4.970 4.033 -5.205 1.00 0.00 ? 28 PHE A HD1 14 ATOM 7631 H HD2 . PHE A 1 28 ? 5.466 4.078 -0.920 1.00 0.00 ? 28 PHE A HD2 14 ATOM 7632 H HE1 . PHE A 1 28 ? 7.258 3.098 -5.460 1.00 0.00 ? 28 PHE A HE1 14 ATOM 7633 H HE2 . PHE A 1 28 ? 7.759 3.158 -1.180 1.00 0.00 ? 28 PHE A HE2 14 ATOM 7634 H HZ . PHE A 1 28 ? 8.658 2.668 -3.449 1.00 0.00 ? 28 PHE A HZ 14 ATOM 7635 N N . GLU A 1 29 ? 0.234 4.417 -2.489 1.00 0.00 ? 29 GLU A N 14 ATOM 7636 C CA . GLU A 1 29 ? -1.041 4.894 -1.933 1.00 0.00 ? 29 GLU A CA 14 ATOM 7637 C C . GLU A 1 29 ? -2.084 3.759 -1.864 1.00 0.00 ? 29 GLU A C 14 ATOM 7638 O O . GLU A 1 29 ? -2.108 2.876 -2.729 1.00 0.00 ? 29 GLU A O 14 ATOM 7639 C CB . GLU A 1 29 ? -1.522 6.095 -2.769 1.00 0.00 ? 29 GLU A CB 14 ATOM 7640 C CG . GLU A 1 29 ? -2.842 6.712 -2.274 1.00 0.00 ? 29 GLU A CG 14 ATOM 7641 C CD . GLU A 1 29 ? -3.238 8.017 -3.001 1.00 0.00 ? 29 GLU A CD 14 ATOM 7642 O OE1 . GLU A 1 29 ? -4.322 8.567 -2.685 1.00 0.00 ? 29 GLU A OE1 14 ATOM 7643 O OE2 . GLU A 1 29 ? -2.492 8.516 -3.881 1.00 0.00 ? 29 GLU A OE2 14 ATOM 7644 H H . GLU A 1 29 ? 0.223 4.123 -3.457 1.00 0.00 ? 29 GLU A H 14 ATOM 7645 H HA . GLU A 1 29 ? -0.878 5.249 -0.915 1.00 0.00 ? 29 GLU A HA 14 ATOM 7646 H HB2 . GLU A 1 29 ? -0.744 6.859 -2.732 1.00 0.00 ? 29 GLU A HB2 14 ATOM 7647 H HB3 . GLU A 1 29 ? -1.649 5.779 -3.807 1.00 0.00 ? 29 GLU A HB3 14 ATOM 7648 H HG2 . GLU A 1 29 ? -3.643 5.983 -2.408 1.00 0.00 ? 29 GLU A HG2 14 ATOM 7649 H HG3 . GLU A 1 29 ? -2.747 6.917 -1.205 1.00 0.00 ? 29 GLU A HG3 14 ATOM 7650 N N . ARG A 1 30 ? -2.960 3.789 -0.850 1.00 0.00 ? 30 ARG A N 14 ATOM 7651 C CA . ARG A 1 30 ? -3.981 2.757 -0.588 1.00 0.00 ? 30 ARG A CA 14 ATOM 7652 C C . ARG A 1 30 ? -4.908 2.533 -1.810 1.00 0.00 ? 30 ARG A C 14 ATOM 7653 O O . ARG A 1 30 ? -5.499 3.503 -2.296 1.00 0.00 ? 30 ARG A O 14 ATOM 7654 C CB . ARG A 1 30 ? -4.715 3.122 0.719 1.00 0.00 ? 30 ARG A CB 14 ATOM 7655 C CG . ARG A 1 30 ? -5.828 2.142 1.125 1.00 0.00 ? 30 ARG A CG 14 ATOM 7656 C CD . ARG A 1 30 ? -7.203 2.581 0.598 1.00 0.00 ? 30 ARG A CD 14 ATOM 7657 N NE . ARG A 1 30 ? -8.028 1.443 0.162 1.00 0.00 ? 30 ARG A NE 14 ATOM 7658 C CZ . ARG A 1 30 ? -8.627 0.533 0.903 1.00 0.00 ? 30 ARG A CZ 14 ATOM 7659 N NH1 . ARG A 1 30 ? -9.366 -0.371 0.335 1.00 0.00 ? 30 ARG A NH1 14 ATOM 7660 N NH2 . ARG A 1 30 ? -8.512 0.478 2.199 1.00 0.00 ? 30 ARG A NH2 14 ATOM 7661 H H . ARG A 1 30 ? -2.899 4.562 -0.200 1.00 0.00 ? 30 ARG A H 14 ATOM 7662 H HA . ARG A 1 30 ? -3.443 1.830 -0.396 1.00 0.00 ? 30 ARG A HA 14 ATOM 7663 H HB2 . ARG A 1 30 ? -3.975 3.132 1.521 1.00 0.00 ? 30 ARG A HB2 14 ATOM 7664 H HB3 . ARG A 1 30 ? -5.125 4.131 0.646 1.00 0.00 ? 30 ARG A HB3 14 ATOM 7665 H HG2 . ARG A 1 30 ? -5.579 1.143 0.763 1.00 0.00 ? 30 ARG A HG2 14 ATOM 7666 H HG3 . ARG A 1 30 ? -5.882 2.108 2.215 1.00 0.00 ? 30 ARG A HG3 14 ATOM 7667 H HD2 . ARG A 1 30 ? -7.723 3.149 1.372 1.00 0.00 ? 30 ARG A HD2 14 ATOM 7668 H HD3 . ARG A 1 30 ? -7.076 3.246 -0.257 1.00 0.00 ? 30 ARG A HD3 14 ATOM 7669 H HE . ARG A 1 30 ? -8.086 1.286 -0.838 1.00 0.00 ? 30 ARG A HE 14 ATOM 7670 H HH11 . ARG A 1 30 ? -9.866 -1.030 0.909 1.00 0.00 ? 30 ARG A HH11 14 ATOM 7671 H HH12 . ARG A 1 30 ? -9.506 -0.338 -0.663 1.00 0.00 ? 30 ARG A HH12 14 ATOM 7672 H HH21 . ARG A 1 30 ? -7.953 1.164 2.675 1.00 0.00 ? 30 ARG A HH21 14 ATOM 7673 H HH22 . ARG A 1 30 ? -8.852 -0.341 2.687 1.00 0.00 ? 30 ARG A HH22 14 ATOM 7674 N N . PRO A 1 31 ? -5.042 1.294 -2.330 1.00 0.00 ? 31 PRO A N 14 ATOM 7675 C CA . PRO A 1 31 ? -5.717 1.003 -3.602 1.00 0.00 ? 31 PRO A CA 14 ATOM 7676 C C . PRO A 1 31 ? -7.251 1.024 -3.524 1.00 0.00 ? 31 PRO A C 14 ATOM 7677 O O . PRO A 1 31 ? -7.851 0.605 -2.530 1.00 0.00 ? 31 PRO A O 14 ATOM 7678 C CB . PRO A 1 31 ? -5.199 -0.378 -4.027 1.00 0.00 ? 31 PRO A CB 14 ATOM 7679 C CG . PRO A 1 31 ? -4.927 -1.057 -2.689 1.00 0.00 ? 31 PRO A CG 14 ATOM 7680 C CD . PRO A 1 31 ? -4.393 0.088 -1.840 1.00 0.00 ? 31 PRO A CD 14 ATOM 7681 H HA . PRO A 1 31 ? -5.406 1.732 -4.348 1.00 0.00 ? 31 PRO A HA 14 ATOM 7682 H HB2 . PRO A 1 31 ? -5.925 -0.933 -4.624 1.00 0.00 ? 31 PRO A HB2 14 ATOM 7683 H HB3 . PRO A 1 31 ? -4.260 -0.266 -4.575 1.00 0.00 ? 31 PRO A HB3 14 ATOM 7684 H HG2 . PRO A 1 31 ? -5.862 -1.423 -2.265 1.00 0.00 ? 31 PRO A HG2 14 ATOM 7685 H HG3 . PRO A 1 31 ? -4.196 -1.859 -2.768 1.00 0.00 ? 31 PRO A HG3 14 ATOM 7686 H HD2 . PRO A 1 31 ? -4.612 -0.092 -0.788 1.00 0.00 ? 31 PRO A HD2 14 ATOM 7687 H HD3 . PRO A 1 31 ? -3.319 0.182 -1.994 1.00 0.00 ? 31 PRO A HD3 14 ATOM 7688 N N . SER A 1 32 ? -7.892 1.470 -4.607 1.00 0.00 ? 32 SER A N 14 ATOM 7689 C CA . SER A 1 32 ? -9.354 1.460 -4.796 1.00 0.00 ? 32 SER A CA 14 ATOM 7690 C C . SER A 1 32 ? -9.875 0.281 -5.638 1.00 0.00 ? 32 SER A C 14 ATOM 7691 O O . SER A 1 32 ? -11.061 -0.055 -5.552 1.00 0.00 ? 32 SER A O 14 ATOM 7692 C CB . SER A 1 32 ? -9.788 2.789 -5.428 1.00 0.00 ? 32 SER A CB 14 ATOM 7693 O OG . SER A 1 32 ? -9.150 2.988 -6.681 1.00 0.00 ? 32 SER A OG 14 ATOM 7694 H H . SER A 1 32 ? -7.340 1.844 -5.367 1.00 0.00 ? 32 SER A H 14 ATOM 7695 H HA . SER A 1 32 ? -9.840 1.394 -3.822 1.00 0.00 ? 32 SER A HA 14 ATOM 7696 H HB2 . SER A 1 32 ? -10.871 2.789 -5.563 1.00 0.00 ? 32 SER A HB2 14 ATOM 7697 H HB3 . SER A 1 32 ? -9.525 3.606 -4.754 1.00 0.00 ? 32 SER A HB3 14 ATOM 7698 H HG . SER A 1 32 ? -9.446 3.841 -7.034 1.00 0.00 ? 32 SER A HG 14 ATOM 7699 N N . GLY A 1 33 ? -9.010 -0.368 -6.433 1.00 0.00 ? 33 GLY A N 14 ATOM 7700 C CA . GLY A 1 33 ? -9.342 -1.500 -7.316 1.00 0.00 ? 33 GLY A CA 14 ATOM 7701 C C . GLY A 1 33 ? -8.173 -1.939 -8.195 1.00 0.00 ? 33 GLY A C 14 ATOM 7702 O O . GLY A 1 33 ? -7.586 -3.005 -7.909 1.00 0.00 ? 33 GLY A O 14 ATOM 7703 O OXT . GLY A 1 33 ? -7.859 -1.214 -9.164 1.00 0.00 ? 33 GLY A OXT 14 ATOM 7704 H H . GLY A 1 33 ? -8.061 -0.021 -6.460 1.00 0.00 ? 33 GLY A H 14 ATOM 7705 H HA2 . GLY A 1 33 ? -9.659 -2.352 -6.717 1.00 0.00 ? 33 GLY A HA2 14 ATOM 7706 H HA3 . GLY A 1 33 ? -10.168 -1.223 -7.971 1.00 0.00 ? 33 GLY A HA3 14 HETATM 7707 C C1 . GAL B 2 . ? 12.843 2.131 0.219 1.00 0.00 ? 101 GAL A C1 14 HETATM 7708 C C2 . GAL B 2 . ? 12.493 3.582 -0.168 1.00 0.00 ? 101 GAL A C2 14 HETATM 7709 C C3 . GAL B 2 . ? 11.473 3.537 -1.320 1.00 0.00 ? 101 GAL A C3 14 HETATM 7710 C C4 . GAL B 2 . ? 12.029 2.748 -2.522 1.00 0.00 ? 101 GAL A C4 14 HETATM 7711 C C5 . GAL B 2 . ? 12.517 1.348 -2.099 1.00 0.00 ? 101 GAL A C5 14 HETATM 7712 C C6 . GAL B 2 . ? 13.216 0.564 -3.219 1.00 0.00 ? 101 GAL A C6 14 HETATM 7713 O O2 . GAL B 2 . ? 11.922 4.287 0.968 1.00 0.00 ? 101 GAL A O2 14 HETATM 7714 O O3 . GAL B 2 . ? 11.155 4.887 -1.753 1.00 0.00 ? 101 GAL A O3 14 HETATM 7715 O O4 . GAL B 2 . ? 13.131 3.497 -3.087 1.00 0.00 ? 101 GAL A O4 14 HETATM 7716 O O5 . GAL B 2 . ? 13.436 1.447 -0.932 1.00 0.00 ? 101 GAL A O5 14 HETATM 7717 O O6 . GAL B 2 . ? 13.764 -0.642 -2.656 1.00 0.00 ? 101 GAL A O6 14 HETATM 7718 H H1 . GAL B 2 . ? 11.940 1.600 0.517 1.00 0.00 ? 101 GAL A H1 14 HETATM 7719 H H2 . GAL B 2 . ? 13.395 4.107 -0.488 1.00 0.00 ? 101 GAL A H2 14 HETATM 7720 H H3 . GAL B 2 . ? 10.557 3.057 -0.970 1.00 0.00 ? 101 GAL A H3 14 HETATM 7721 H H4 . GAL B 2 . ? 11.251 2.646 -3.280 1.00 0.00 ? 101 GAL A H4 14 HETATM 7722 H H5 . GAL B 2 . ? 11.645 0.778 -1.786 1.00 0.00 ? 101 GAL A H5 14 HETATM 7723 H H61 . GAL B 2 . ? 12.507 0.313 -4.010 1.00 0.00 ? 101 GAL A H61 14 HETATM 7724 H H62 . GAL B 2 . ? 14.033 1.150 -3.646 1.00 0.00 ? 101 GAL A H62 14 HETATM 7725 H HO2 . GAL B 2 . ? 12.663 4.570 1.528 1.00 0.00 ? 101 GAL A HO2 14 HETATM 7726 H HO3 . GAL B 2 . ? 10.908 5.394 -0.962 1.00 0.00 ? 101 GAL A HO3 14 HETATM 7727 H HO4 . GAL B 2 . ? 12.821 4.410 -3.204 1.00 0.00 ? 101 GAL A HO4 14 HETATM 7728 H HO6 . GAL B 2 . ? 14.176 -0.384 -1.818 1.00 0.00 ? 101 GAL A HO6 14 ATOM 7729 N N . LYS A 1 1 ? -11.726 -4.727 4.594 1.00 0.00 ? 1 LYS A N 15 ATOM 7730 C CA . LYS A 1 1 ? -10.395 -5.147 4.074 1.00 0.00 ? 1 LYS A CA 15 ATOM 7731 C C . LYS A 1 1 ? -10.172 -4.597 2.654 1.00 0.00 ? 1 LYS A C 15 ATOM 7732 O O . LYS A 1 1 ? -11.112 -4.128 2.006 1.00 0.00 ? 1 LYS A O 15 ATOM 7733 C CB . LYS A 1 1 ? -10.239 -6.687 4.179 1.00 0.00 ? 1 LYS A CB 15 ATOM 7734 C CG . LYS A 1 1 ? -8.852 -7.285 3.857 1.00 0.00 ? 1 LYS A CG 15 ATOM 7735 C CD . LYS A 1 1 ? -7.718 -6.735 4.746 1.00 0.00 ? 1 LYS A CD 15 ATOM 7736 C CE . LYS A 1 1 ? -6.325 -7.180 4.276 1.00 0.00 ? 1 LYS A CE 15 ATOM 7737 N NZ . LYS A 1 1 ? -6.108 -8.642 4.410 1.00 0.00 ? 1 LYS A NZ 15 ATOM 7738 H H1 . LYS A 1 1 ? -12.464 -5.113 4.025 1.00 0.00 ? 1 LYS A H1 15 ATOM 7739 H H2 . LYS A 1 1 ? -11.812 -3.721 4.577 1.00 0.00 ? 1 LYS A H2 15 ATOM 7740 H H3 . LYS A 1 1 ? -11.852 -5.042 5.544 1.00 0.00 ? 1 LYS A H3 15 ATOM 7741 H HA . LYS A 1 1 ? -9.640 -4.686 4.711 1.00 0.00 ? 1 LYS A HA 15 ATOM 7742 H HB2 . LYS A 1 1 ? -10.490 -6.987 5.198 1.00 0.00 ? 1 LYS A HB2 15 ATOM 7743 H HB3 . LYS A 1 1 ? -10.967 -7.157 3.515 1.00 0.00 ? 1 LYS A HB3 15 ATOM 7744 H HG2 . LYS A 1 1 ? -8.913 -8.364 4.001 1.00 0.00 ? 1 LYS A HG2 15 ATOM 7745 H HG3 . LYS A 1 1 ? -8.612 -7.118 2.808 1.00 0.00 ? 1 LYS A HG3 15 ATOM 7746 H HD2 . LYS A 1 1 ? -7.730 -5.646 4.735 1.00 0.00 ? 1 LYS A HD2 15 ATOM 7747 H HD3 . LYS A 1 1 ? -7.876 -7.059 5.777 1.00 0.00 ? 1 LYS A HD3 15 ATOM 7748 H HE2 . LYS A 1 1 ? -6.185 -6.881 3.233 1.00 0.00 ? 1 LYS A HE2 15 ATOM 7749 H HE3 . LYS A 1 1 ? -5.573 -6.652 4.872 1.00 0.00 ? 1 LYS A HE3 15 ATOM 7750 H HZ1 . LYS A 1 1 ? -6.222 -8.947 5.367 1.00 0.00 ? 1 LYS A HZ1 15 ATOM 7751 H HZ2 . LYS A 1 1 ? -6.738 -9.171 3.826 1.00 0.00 ? 1 LYS A HZ2 15 ATOM 7752 H HZ3 . LYS A 1 1 ? -5.154 -8.874 4.129 1.00 0.00 ? 1 LYS A HZ3 15 ATOM 7753 N N . LEU A 1 2 ? -8.923 -4.621 2.175 1.00 0.00 ? 2 LEU A N 15 ATOM 7754 C CA . LEU A 1 2 ? -8.497 -4.211 0.826 1.00 0.00 ? 2 LEU A CA 15 ATOM 7755 C C . LEU A 1 2 ? -9.216 -4.994 -0.310 1.00 0.00 ? 2 LEU A C 15 ATOM 7756 O O . LEU A 1 2 ? -9.767 -6.071 -0.051 1.00 0.00 ? 2 LEU A O 15 ATOM 7757 C CB . LEU A 1 2 ? -6.966 -4.397 0.735 1.00 0.00 ? 2 LEU A CB 15 ATOM 7758 C CG . LEU A 1 2 ? -6.145 -3.433 1.612 1.00 0.00 ? 2 LEU A CG 15 ATOM 7759 C CD1 . LEU A 1 2 ? -4.706 -3.936 1.727 1.00 0.00 ? 2 LEU A CD1 15 ATOM 7760 C CD2 . LEU A 1 2 ? -6.107 -2.028 1.011 1.00 0.00 ? 2 LEU A CD2 15 ATOM 7761 H H . LEU A 1 2 ? -8.208 -5.003 2.774 1.00 0.00 ? 2 LEU A H 15 ATOM 7762 H HA . LEU A 1 2 ? -8.741 -3.155 0.711 1.00 0.00 ? 2 LEU A HA 15 ATOM 7763 H HB2 . LEU A 1 2 ? -6.735 -5.427 1.021 1.00 0.00 ? 2 LEU A HB2 15 ATOM 7764 H HB3 . LEU A 1 2 ? -6.647 -4.257 -0.296 1.00 0.00 ? 2 LEU A HB3 15 ATOM 7765 H HG . LEU A 1 2 ? -6.570 -3.383 2.613 1.00 0.00 ? 2 LEU A HG 15 ATOM 7766 H HD11 . LEU A 1 2 ? -4.256 -4.016 0.737 1.00 0.00 ? 2 LEU A HD11 15 ATOM 7767 H HD12 . LEU A 1 2 ? -4.122 -3.246 2.336 1.00 0.00 ? 2 LEU A HD12 15 ATOM 7768 H HD13 . LEU A 1 2 ? -4.701 -4.912 2.210 1.00 0.00 ? 2 LEU A HD13 15 ATOM 7769 H HD21 . LEU A 1 2 ? -7.117 -1.633 0.900 1.00 0.00 ? 2 LEU A HD21 15 ATOM 7770 H HD22 . LEU A 1 2 ? -5.550 -1.362 1.669 1.00 0.00 ? 2 LEU A HD22 15 ATOM 7771 H HD23 . LEU A 1 2 ? -5.618 -2.061 0.039 1.00 0.00 ? 2 LEU A HD23 15 ATOM 7772 N N . PRO A 1 3 ? -9.218 -4.485 -1.565 1.00 0.00 ? 3 PRO A N 15 ATOM 7773 C CA . PRO A 1 3 ? -9.884 -5.131 -2.705 1.00 0.00 ? 3 PRO A CA 15 ATOM 7774 C C . PRO A 1 3 ? -9.244 -6.479 -3.114 1.00 0.00 ? 3 PRO A C 15 ATOM 7775 O O . PRO A 1 3 ? -8.168 -6.825 -2.615 1.00 0.00 ? 3 PRO A O 15 ATOM 7776 C CB . PRO A 1 3 ? -9.841 -4.111 -3.857 1.00 0.00 ? 3 PRO A CB 15 ATOM 7777 C CG . PRO A 1 3 ? -9.416 -2.793 -3.217 1.00 0.00 ? 3 PRO A CG 15 ATOM 7778 C CD . PRO A 1 3 ? -8.626 -3.226 -1.992 1.00 0.00 ? 3 PRO A CD 15 ATOM 7779 H HA . PRO A 1 3 ? -10.926 -5.304 -2.434 1.00 0.00 ? 3 PRO A HA 15 ATOM 7780 H HB2 . PRO A 1 3 ? -9.098 -4.404 -4.599 1.00 0.00 ? 3 PRO A HB2 15 ATOM 7781 H HB3 . PRO A 1 3 ? -10.819 -4.011 -4.331 1.00 0.00 ? 3 PRO A HB3 15 ATOM 7782 H HG2 . PRO A 1 3 ? -8.798 -2.210 -3.900 1.00 0.00 ? 3 PRO A HG2 15 ATOM 7783 H HG3 . PRO A 1 3 ? -10.298 -2.233 -2.904 1.00 0.00 ? 3 PRO A HG3 15 ATOM 7784 H HD2 . PRO A 1 3 ? -7.587 -3.396 -2.274 1.00 0.00 ? 3 PRO A HD2 15 ATOM 7785 H HD3 . PRO A 1 3 ? -8.690 -2.450 -1.230 1.00 0.00 ? 3 PRO A HD3 15 ATOM 7786 N N . PRO A 1 4 ? -9.855 -7.247 -4.043 1.00 0.00 ? 4 PRO A N 15 ATOM 7787 C CA . PRO A 1 4 ? -9.390 -8.582 -4.430 1.00 0.00 ? 4 PRO A CA 15 ATOM 7788 C C . PRO A 1 4 ? -7.900 -8.651 -4.813 1.00 0.00 ? 4 PRO A C 15 ATOM 7789 O O . PRO A 1 4 ? -7.424 -7.944 -5.706 1.00 0.00 ? 4 PRO A O 15 ATOM 7790 C CB . PRO A 1 4 ? -10.306 -9.022 -5.577 1.00 0.00 ? 4 PRO A CB 15 ATOM 7791 C CG . PRO A 1 4 ? -11.614 -8.305 -5.251 1.00 0.00 ? 4 PRO A CG 15 ATOM 7792 C CD . PRO A 1 4 ? -11.132 -6.968 -4.691 1.00 0.00 ? 4 PRO A CD 15 ATOM 7793 H HA . PRO A 1 4 ? -9.566 -9.248 -3.584 1.00 0.00 ? 4 PRO A HA 15 ATOM 7794 H HB2 . PRO A 1 4 ? -9.923 -8.657 -6.533 1.00 0.00 ? 4 PRO A HB2 15 ATOM 7795 H HB3 . PRO A 1 4 ? -10.433 -10.105 -5.601 1.00 0.00 ? 4 PRO A HB3 15 ATOM 7796 H HG2 . PRO A 1 4 ? -12.236 -8.173 -6.137 1.00 0.00 ? 4 PRO A HG2 15 ATOM 7797 H HG3 . PRO A 1 4 ? -12.152 -8.856 -4.477 1.00 0.00 ? 4 PRO A HG3 15 ATOM 7798 H HD2 . PRO A 1 4 ? -10.974 -6.266 -5.512 1.00 0.00 ? 4 PRO A HD2 15 ATOM 7799 H HD3 . PRO A 1 4 ? -11.868 -6.575 -3.989 1.00 0.00 ? 4 PRO A HD3 15 ATOM 7800 N N . GLY A 1 5 ? -7.163 -9.520 -4.115 1.00 0.00 ? 5 GLY A N 15 ATOM 7801 C CA . GLY A 1 5 ? -5.726 -9.757 -4.289 1.00 0.00 ? 5 GLY A CA 15 ATOM 7802 C C . GLY A 1 5 ? -4.784 -8.716 -3.663 1.00 0.00 ? 5 GLY A C 15 ATOM 7803 O O . GLY A 1 5 ? -3.588 -8.992 -3.564 1.00 0.00 ? 5 GLY A O 15 ATOM 7804 H H . GLY A 1 5 ? -7.633 -10.052 -3.396 1.00 0.00 ? 5 GLY A H 15 ATOM 7805 H HA2 . GLY A 1 5 ? -5.486 -10.724 -3.842 1.00 0.00 ? 5 GLY A HA2 15 ATOM 7806 H HA3 . GLY A 1 5 ? -5.505 -9.808 -5.357 1.00 0.00 ? 5 GLY A HA3 15 ATOM 7807 N N . TRP A 1 6 ? -5.276 -7.555 -3.214 1.00 0.00 ? 6 TRP A N 15 ATOM 7808 C CA . TRP A 1 6 ? -4.464 -6.530 -2.542 1.00 0.00 ? 6 TRP A CA 15 ATOM 7809 C C . TRP A 1 6 ? -4.106 -6.862 -1.084 1.00 0.00 ? 6 TRP A C 15 ATOM 7810 O O . TRP A 1 6 ? -4.937 -7.353 -0.317 1.00 0.00 ? 6 TRP A O 15 ATOM 7811 C CB . TRP A 1 6 ? -5.133 -5.152 -2.617 1.00 0.00 ? 6 TRP A CB 15 ATOM 7812 C CG . TRP A 1 6 ? -5.146 -4.492 -3.961 1.00 0.00 ? 6 TRP A CG 15 ATOM 7813 C CD1 . TRP A 1 6 ? -6.123 -4.630 -4.885 1.00 0.00 ? 6 TRP A CD1 15 ATOM 7814 C CD2 . TRP A 1 6 ? -4.059 -3.789 -4.640 1.00 0.00 ? 6 TRP A CD2 15 ATOM 7815 N NE1 . TRP A 1 6 ? -5.764 -3.981 -6.049 1.00 0.00 ? 6 TRP A NE1 15 ATOM 7816 C CE2 . TRP A 1 6 ? -4.480 -3.488 -5.970 1.00 0.00 ? 6 TRP A CE2 15 ATOM 7817 C CE3 . TRP A 1 6 ? -2.762 -3.373 -4.268 1.00 0.00 ? 6 TRP A CE3 15 ATOM 7818 C CZ2 . TRP A 1 6 ? -3.647 -2.849 -6.897 1.00 0.00 ? 6 TRP A CZ2 15 ATOM 7819 C CZ3 . TRP A 1 6 ? -1.922 -2.707 -5.185 1.00 0.00 ? 6 TRP A CZ3 15 ATOM 7820 C CH2 . TRP A 1 6 ? -2.359 -2.449 -6.497 1.00 0.00 ? 6 TRP A CH2 15 ATOM 7821 H H . TRP A 1 6 ? -6.275 -7.399 -3.272 1.00 0.00 ? 6 TRP A H 15 ATOM 7822 H HA . TRP A 1 6 ? -3.522 -6.445 -3.080 1.00 0.00 ? 6 TRP A HA 15 ATOM 7823 H HB2 . TRP A 1 6 ? -6.158 -5.244 -2.262 1.00 0.00 ? 6 TRP A HB2 15 ATOM 7824 H HB3 . TRP A 1 6 ? -4.600 -4.479 -1.940 1.00 0.00 ? 6 TRP A HB3 15 ATOM 7825 H HD1 . TRP A 1 6 ? -7.050 -5.167 -4.726 1.00 0.00 ? 6 TRP A HD1 15 ATOM 7826 H HE1 . TRP A 1 6 ? -6.370 -3.913 -6.862 1.00 0.00 ? 6 TRP A HE1 15 ATOM 7827 H HE3 . TRP A 1 6 ? -2.416 -3.567 -3.262 1.00 0.00 ? 6 TRP A HE3 15 ATOM 7828 H HZ2 . TRP A 1 6 ? -3.997 -2.680 -7.904 1.00 0.00 ? 6 TRP A HZ2 15 ATOM 7829 H HZ3 . TRP A 1 6 ? -0.932 -2.394 -4.883 1.00 0.00 ? 6 TRP A HZ3 15 ATOM 7830 H HH2 . TRP A 1 6 ? -1.703 -1.947 -7.198 1.00 0.00 ? 6 TRP A HH2 15 ATOM 7831 N N . GLU A 1 7 ? -2.878 -6.529 -0.684 1.00 0.00 ? 7 GLU A N 15 ATOM 7832 C CA . GLU A 1 7 ? -2.359 -6.645 0.684 1.00 0.00 ? 7 GLU A CA 15 ATOM 7833 C C . GLU A 1 7 ? -1.241 -5.607 0.930 1.00 0.00 ? 7 GLU A C 15 ATOM 7834 O O . GLU A 1 7 ? -0.588 -5.148 -0.014 1.00 0.00 ? 7 GLU A O 15 ATOM 7835 C CB . GLU A 1 7 ? -1.867 -8.094 0.904 1.00 0.00 ? 7 GLU A CB 15 ATOM 7836 C CG . GLU A 1 7 ? -1.477 -8.453 2.345 1.00 0.00 ? 7 GLU A CG 15 ATOM 7837 C CD . GLU A 1 7 ? -2.596 -8.132 3.351 1.00 0.00 ? 7 GLU A CD 15 ATOM 7838 O OE1 . GLU A 1 7 ? -2.626 -6.993 3.875 1.00 0.00 ? 7 GLU A OE1 15 ATOM 7839 O OE2 . GLU A 1 7 ? -3.462 -9.004 3.602 1.00 0.00 ? 7 GLU A OE2 15 ATOM 7840 H H . GLU A 1 7 ? -2.223 -6.195 -1.384 1.00 0.00 ? 7 GLU A H 15 ATOM 7841 H HA . GLU A 1 7 ? -3.170 -6.438 1.380 1.00 0.00 ? 7 GLU A HA 15 ATOM 7842 H HB2 . GLU A 1 7 ? -2.658 -8.781 0.599 1.00 0.00 ? 7 GLU A HB2 15 ATOM 7843 H HB3 . GLU A 1 7 ? -1.007 -8.277 0.256 1.00 0.00 ? 7 GLU A HB3 15 ATOM 7844 H HG2 . GLU A 1 7 ? -1.241 -9.519 2.384 1.00 0.00 ? 7 GLU A HG2 15 ATOM 7845 H HG3 . GLU A 1 7 ? -0.570 -7.915 2.618 1.00 0.00 ? 7 GLU A HG3 15 ATOM 7846 N N . LYS A 1 8 ? -0.997 -5.220 2.189 1.00 0.00 ? 8 LYS A N 15 ATOM 7847 C CA . LYS A 1 8 ? 0.170 -4.395 2.557 1.00 0.00 ? 8 LYS A CA 15 ATOM 7848 C C . LYS A 1 8 ? 1.488 -5.171 2.477 1.00 0.00 ? 8 LYS A C 15 ATOM 7849 O O . LYS A 1 8 ? 1.551 -6.363 2.791 1.00 0.00 ? 8 LYS A O 15 ATOM 7850 C CB . LYS A 1 8 ? -0.014 -3.726 3.928 1.00 0.00 ? 8 LYS A CB 15 ATOM 7851 C CG . LYS A 1 8 ? -0.932 -2.503 3.799 1.00 0.00 ? 8 LYS A CG 15 ATOM 7852 C CD . LYS A 1 8 ? -1.271 -1.857 5.150 1.00 0.00 ? 8 LYS A CD 15 ATOM 7853 C CE . LYS A 1 8 ? -0.055 -1.164 5.779 1.00 0.00 ? 8 LYS A CE 15 ATOM 7854 N NZ . LYS A 1 8 ? -0.405 -0.532 7.077 1.00 0.00 ? 8 LYS A NZ 15 ATOM 7855 H H . LYS A 1 8 ? -1.551 -5.640 2.934 1.00 0.00 ? 8 LYS A H 15 ATOM 7856 H HA . LYS A 1 8 ? 0.256 -3.595 1.820 1.00 0.00 ? 8 LYS A HA 15 ATOM 7857 H HB2 . LYS A 1 8 ? -0.433 -4.443 4.637 1.00 0.00 ? 8 LYS A HB2 15 ATOM 7858 H HB3 . LYS A 1 8 ? 0.957 -3.394 4.300 1.00 0.00 ? 8 LYS A HB3 15 ATOM 7859 H HG2 . LYS A 1 8 ? -0.448 -1.758 3.161 1.00 0.00 ? 8 LYS A HG2 15 ATOM 7860 H HG3 . LYS A 1 8 ? -1.860 -2.818 3.321 1.00 0.00 ? 8 LYS A HG3 15 ATOM 7861 H HD2 . LYS A 1 8 ? -2.054 -1.114 4.987 1.00 0.00 ? 8 LYS A HD2 15 ATOM 7862 H HD3 . LYS A 1 8 ? -1.657 -2.620 5.828 1.00 0.00 ? 8 LYS A HD3 15 ATOM 7863 H HE2 . LYS A 1 8 ? 0.751 -1.889 5.926 1.00 0.00 ? 8 LYS A HE2 15 ATOM 7864 H HE3 . LYS A 1 8 ? 0.309 -0.401 5.083 1.00 0.00 ? 8 LYS A HE3 15 ATOM 7865 H HZ1 . LYS A 1 8 ? -0.734 -1.219 7.742 1.00 0.00 ? 8 LYS A HZ1 15 ATOM 7866 H HZ2 . LYS A 1 8 ? 0.397 -0.070 7.487 1.00 0.00 ? 8 LYS A HZ2 15 ATOM 7867 H HZ3 . LYS A 1 8 ? -1.132 0.162 6.963 1.00 0.00 ? 8 LYS A HZ3 15 ATOM 7868 N N . ARG A 1 9 ? 2.550 -4.472 2.077 1.00 0.00 ? 9 ARG A N 15 ATOM 7869 C CA . ARG A 1 9 ? 3.911 -4.992 1.855 1.00 0.00 ? 9 ARG A CA 15 ATOM 7870 C C . ARG A 1 9 ? 4.949 -3.947 2.293 1.00 0.00 ? 9 ARG A C 15 ATOM 7871 O O . ARG A 1 9 ? 4.591 -2.802 2.571 1.00 0.00 ? 9 ARG A O 15 ATOM 7872 C CB . ARG A 1 9 ? 4.013 -5.413 0.372 1.00 0.00 ? 9 ARG A CB 15 ATOM 7873 C CG . ARG A 1 9 ? 5.210 -6.322 0.056 1.00 0.00 ? 9 ARG A CG 15 ATOM 7874 C CD . ARG A 1 9 ? 5.053 -6.965 -1.329 1.00 0.00 ? 9 ARG A CD 15 ATOM 7875 N NE . ARG A 1 9 ? 6.217 -7.808 -1.662 1.00 0.00 ? 9 ARG A NE 15 ATOM 7876 C CZ . ARG A 1 9 ? 6.579 -8.216 -2.866 1.00 0.00 ? 9 ARG A CZ 15 ATOM 7877 N NH1 . ARG A 1 9 ? 7.681 -8.892 -3.023 1.00 0.00 ? 9 ARG A NH1 15 ATOM 7878 N NH2 . ARG A 1 9 ? 5.867 -7.984 -3.932 1.00 0.00 ? 9 ARG A NH2 15 ATOM 7879 H H . ARG A 1 9 ? 2.388 -3.488 1.874 1.00 0.00 ? 9 ARG A H 15 ATOM 7880 H HA . ARG A 1 9 ? 4.062 -5.874 2.481 1.00 0.00 ? 9 ARG A HA 15 ATOM 7881 H HB2 . ARG A 1 9 ? 3.107 -5.967 0.119 1.00 0.00 ? 9 ARG A HB2 15 ATOM 7882 H HB3 . ARG A 1 9 ? 4.050 -4.524 -0.260 1.00 0.00 ? 9 ARG A HB3 15 ATOM 7883 H HG2 . ARG A 1 9 ? 6.132 -5.738 0.077 1.00 0.00 ? 9 ARG A HG2 15 ATOM 7884 H HG3 . ARG A 1 9 ? 5.267 -7.117 0.803 1.00 0.00 ? 9 ARG A HG3 15 ATOM 7885 H HD2 . ARG A 1 9 ? 4.150 -7.580 -1.336 1.00 0.00 ? 9 ARG A HD2 15 ATOM 7886 H HD3 . ARG A 1 9 ? 4.951 -6.169 -2.071 1.00 0.00 ? 9 ARG A HD3 15 ATOM 7887 H HE . ARG A 1 9 ? 6.828 -8.069 -0.905 1.00 0.00 ? 9 ARG A HE 15 ATOM 7888 H HH11 . ARG A 1 9 ? 7.956 -9.205 -3.940 1.00 0.00 ? 9 ARG A HH11 15 ATOM 7889 H HH12 . ARG A 1 9 ? 8.266 -9.100 -2.229 1.00 0.00 ? 9 ARG A HH12 15 ATOM 7890 H HH21 . ARG A 1 9 ? 4.977 -7.523 -3.842 1.00 0.00 ? 9 ARG A HH21 15 ATOM 7891 H HH22 . ARG A 1 9 ? 6.164 -8.324 -4.829 1.00 0.00 ? 9 ARG A HH22 15 ATOM 7892 N N . MET A 1 10 ? 6.227 -4.316 2.389 1.00 0.00 ? 10 MET A N 15 ATOM 7893 C CA . MET A 1 10 ? 7.260 -3.451 2.975 1.00 0.00 ? 10 MET A CA 15 ATOM 7894 C C . MET A 1 10 ? 8.662 -3.774 2.442 1.00 0.00 ? 10 MET A C 15 ATOM 7895 O O . MET A 1 10 ? 9.052 -4.939 2.319 1.00 0.00 ? 10 MET A O 15 ATOM 7896 C CB . MET A 1 10 ? 7.220 -3.579 4.511 1.00 0.00 ? 10 MET A CB 15 ATOM 7897 C CG . MET A 1 10 ? 8.077 -2.526 5.225 1.00 0.00 ? 10 MET A CG 15 ATOM 7898 S SD . MET A 1 10 ? 8.186 -2.716 7.025 1.00 0.00 ? 10 MET A SD 15 ATOM 7899 C CE . MET A 1 10 ? 9.340 -4.113 7.126 1.00 0.00 ? 10 MET A CE 15 ATOM 7900 H H . MET A 1 10 ? 6.478 -5.265 2.153 1.00 0.00 ? 10 MET A H 15 ATOM 7901 H HA . MET A 1 10 ? 7.032 -2.419 2.711 1.00 0.00 ? 10 MET A HA 15 ATOM 7902 H HB2 . MET A 1 10 ? 6.192 -3.465 4.858 1.00 0.00 ? 10 MET A HB2 15 ATOM 7903 H HB3 . MET A 1 10 ? 7.563 -4.576 4.790 1.00 0.00 ? 10 MET A HB3 15 ATOM 7904 H HG2 . MET A 1 10 ? 9.088 -2.537 4.823 1.00 0.00 ? 10 MET A HG2 15 ATOM 7905 H HG3 . MET A 1 10 ? 7.645 -1.548 5.021 1.00 0.00 ? 10 MET A HG3 15 ATOM 7906 H HE1 . MET A 1 10 ? 10.269 -3.864 6.609 1.00 0.00 ? 10 MET A HE1 15 ATOM 7907 H HE2 . MET A 1 10 ? 9.561 -4.330 8.172 1.00 0.00 ? 10 MET A HE2 15 ATOM 7908 H HE3 . MET A 1 10 ? 8.899 -4.997 6.667 1.00 0.00 ? 10 MET A HE3 15 ATOM 7909 N N . PHE A 1 11 ? 9.413 -2.720 2.126 1.00 0.00 ? 11 PHE A N 15 ATOM 7910 C CA . PHE A 1 11 ? 10.812 -2.754 1.700 1.00 0.00 ? 11 PHE A CA 15 ATOM 7911 C C . PHE A 1 11 ? 11.825 -3.078 2.813 1.00 0.00 ? 11 PHE A C 15 ATOM 7912 O O . PHE A 1 11 ? 11.539 -2.888 3.998 1.00 0.00 ? 11 PHE A O 15 ATOM 7913 C CB . PHE A 1 11 ? 11.145 -1.437 0.986 1.00 0.00 ? 11 PHE A CB 15 ATOM 7914 C CG . PHE A 1 11 ? 10.460 -1.237 -0.351 1.00 0.00 ? 11 PHE A CG 15 ATOM 7915 C CD1 . PHE A 1 11 ? 10.858 -1.980 -1.479 1.00 0.00 ? 11 PHE A CD1 15 ATOM 7916 C CD2 . PHE A 1 11 ? 9.434 -0.278 -0.477 1.00 0.00 ? 11 PHE A CD2 15 ATOM 7917 C CE1 . PHE A 1 11 ? 10.236 -1.765 -2.723 1.00 0.00 ? 11 PHE A CE1 15 ATOM 7918 C CE2 . PHE A 1 11 ? 8.816 -0.061 -1.720 1.00 0.00 ? 11 PHE A CE2 15 ATOM 7919 C CZ . PHE A 1 11 ? 9.216 -0.804 -2.844 1.00 0.00 ? 11 PHE A CZ 15 ATOM 7920 H H . PHE A 1 11 ? 9.003 -1.802 2.266 1.00 0.00 ? 11 PHE A H 15 ATOM 7921 H HA . PHE A 1 11 ? 10.913 -3.553 0.963 1.00 0.00 ? 11 PHE A HA 15 ATOM 7922 H HB2 . PHE A 1 11 ? 10.869 -0.615 1.648 1.00 0.00 ? 11 PHE A HB2 15 ATOM 7923 H HB3 . PHE A 1 11 ? 12.223 -1.389 0.810 1.00 0.00 ? 11 PHE A HB3 15 ATOM 7924 H HD1 . PHE A 1 11 ? 11.652 -2.710 -1.395 1.00 0.00 ? 11 PHE A HD1 15 ATOM 7925 H HD2 . PHE A 1 11 ? 9.112 0.291 0.383 1.00 0.00 ? 11 PHE A HD2 15 ATOM 7926 H HE1 . PHE A 1 11 ? 10.545 -2.335 -3.589 1.00 0.00 ? 11 PHE A HE1 15 ATOM 7927 H HE2 . PHE A 1 11 ? 8.019 0.664 -1.802 1.00 0.00 ? 11 PHE A HE2 15 ATOM 7928 H HZ . PHE A 1 11 ? 8.732 -0.642 -3.799 1.00 0.00 ? 11 PHE A HZ 15 ATOM 7929 N N . ALA A 1 12 ? 13.039 -3.508 2.450 1.00 0.00 ? 12 ALA A N 15 ATOM 7930 C CA . ALA A 1 12 ? 14.112 -3.833 3.402 1.00 0.00 ? 12 ALA A CA 15 ATOM 7931 C C . ALA A 1 12 ? 14.584 -2.630 4.258 1.00 0.00 ? 12 ALA A C 15 ATOM 7932 O O . ALA A 1 12 ? 15.118 -2.816 5.355 1.00 0.00 ? 12 ALA A O 15 ATOM 7933 C CB . ALA A 1 12 ? 15.277 -4.437 2.607 1.00 0.00 ? 12 ALA A CB 15 ATOM 7934 H H . ALA A 1 12 ? 13.226 -3.644 1.466 1.00 0.00 ? 12 ALA A H 15 ATOM 7935 H HA . ALA A 1 12 ? 13.740 -4.593 4.091 1.00 0.00 ? 12 ALA A HA 15 ATOM 7936 H HB1 . ALA A 1 12 ? 14.935 -5.314 2.056 1.00 0.00 ? 12 ALA A HB1 15 ATOM 7937 H HB2 . ALA A 1 12 ? 15.675 -3.701 1.906 1.00 0.00 ? 12 ALA A HB2 15 ATOM 7938 H HB3 . ALA A 1 12 ? 16.070 -4.740 3.292 1.00 0.00 ? 12 ALA A HB3 15 ATOM 7939 N N . ASN A 1 13 ? 14.363 -1.400 3.779 1.00 0.00 ? 13 ASN A N 15 ATOM 7940 C CA . ASN A 1 13 ? 14.612 -0.143 4.505 1.00 0.00 ? 13 ASN A CA 15 ATOM 7941 C C . ASN A 1 13 ? 13.509 0.236 5.529 1.00 0.00 ? 13 ASN A C 15 ATOM 7942 O O . ASN A 1 13 ? 13.661 1.226 6.250 1.00 0.00 ? 13 ASN A O 15 ATOM 7943 C CB . ASN A 1 13 ? 14.850 0.985 3.475 1.00 0.00 ? 13 ASN A CB 15 ATOM 7944 C CG . ASN A 1 13 ? 13.684 1.220 2.524 1.00 0.00 ? 13 ASN A CG 15 ATOM 7945 O OD1 . ASN A 1 13 ? 12.559 0.814 2.800 1.00 0.00 ? 13 ASN A OD1 15 ATOM 7946 N ND2 . ASN A 1 13 ? 13.941 1.881 1.404 1.00 0.00 ? 13 ASN A ND2 15 ATOM 7947 H H . ASN A 1 13 ? 13.926 -1.334 2.872 1.00 0.00 ? 13 ASN A H 15 ATOM 7948 H HA . ASN A 1 13 ? 15.530 -0.259 5.082 1.00 0.00 ? 13 ASN A HA 15 ATOM 7949 H HB2 . ASN A 1 13 ? 15.054 1.921 4.001 1.00 0.00 ? 13 ASN A HB2 15 ATOM 7950 H HB3 . ASN A 1 13 ? 15.730 0.726 2.882 1.00 0.00 ? 13 ASN A HB3 15 ATOM 7951 H HD21 . ASN A 1 13 ? 14.887 2.184 1.226 1.00 0.00 ? 13 ASN A HD21 15 ATOM 7952 N N . GLY A 1 14 ? 12.407 -0.522 5.601 1.00 0.00 ? 14 GLY A N 15 ATOM 7953 C CA . GLY A 1 14 ? 11.275 -0.275 6.505 1.00 0.00 ? 14 GLY A CA 15 ATOM 7954 C C . GLY A 1 14 ? 10.154 0.618 5.944 1.00 0.00 ? 14 GLY A C 15 ATOM 7955 O O . GLY A 1 14 ? 9.322 1.095 6.721 1.00 0.00 ? 14 GLY A O 15 ATOM 7956 H H . GLY A 1 14 ? 12.338 -1.322 4.981 1.00 0.00 ? 14 GLY A H 15 ATOM 7957 H HA2 . GLY A 1 14 ? 10.827 -1.239 6.749 1.00 0.00 ? 14 GLY A HA2 15 ATOM 7958 H HA3 . GLY A 1 14 ? 11.638 0.179 7.430 1.00 0.00 ? 14 GLY A HA3 15 ATOM 7959 N N . THR A 1 15 ? 10.091 0.842 4.626 1.00 0.00 ? 15 THR A N 15 ATOM 7960 C CA . THR A 1 15 ? 9.059 1.680 3.979 1.00 0.00 ? 15 THR A CA 15 ATOM 7961 C C . THR A 1 15 ? 7.923 0.769 3.506 1.00 0.00 ? 15 THR A C 15 ATOM 7962 O O . THR A 1 15 ? 8.157 -0.226 2.819 1.00 0.00 ? 15 THR A O 15 ATOM 7963 C CB . THR A 1 15 ? 9.661 2.417 2.768 1.00 0.00 ? 15 THR A CB 15 ATOM 7964 O OG1 . THR A 1 15 ? 10.516 3.438 3.230 1.00 0.00 ? 15 THR A OG1 15 ATOM 7965 C CG2 . THR A 1 15 ? 8.635 3.091 1.854 1.00 0.00 ? 15 THR A CG2 15 ATOM 7966 H H . THR A 1 15 ? 10.835 0.479 4.043 1.00 0.00 ? 15 THR A H 15 ATOM 7967 H HA . THR A 1 15 ? 8.665 2.420 4.677 1.00 0.00 ? 15 THR A HA 15 ATOM 7968 H HB . THR A 1 15 ? 10.236 1.712 2.167 1.00 0.00 ? 15 THR A HB 15 ATOM 7969 H HG1 . THR A 1 15 ? 11.006 3.755 2.450 1.00 0.00 ? 15 THR A HG1 15 ATOM 7970 H HG21 . THR A 1 15 ? 9.149 3.692 1.105 1.00 0.00 ? 15 THR A HG21 15 ATOM 7971 H HG22 . THR A 1 15 ? 8.043 2.338 1.333 1.00 0.00 ? 15 THR A HG22 15 ATOM 7972 H HG23 . THR A 1 15 ? 7.974 3.731 2.440 1.00 0.00 ? 15 THR A HG23 15 ATOM 7973 N N . VAL A 1 16 ? 6.681 1.125 3.848 1.00 0.00 ? 16 VAL A N 15 ATOM 7974 C CA . VAL A 1 16 ? 5.466 0.332 3.570 1.00 0.00 ? 16 VAL A CA 15 ATOM 7975 C C . VAL A 1 16 ? 4.824 0.818 2.265 1.00 0.00 ? 16 VAL A C 15 ATOM 7976 O O . VAL A 1 16 ? 4.839 2.011 1.946 1.00 0.00 ? 16 VAL A O 15 ATOM 7977 C CB . VAL A 1 16 ? 4.468 0.467 4.744 1.00 0.00 ? 16 VAL A CB 15 ATOM 7978 C CG1 . VAL A 1 16 ? 3.054 -0.054 4.452 1.00 0.00 ? 16 VAL A CG1 15 ATOM 7979 C CG2 . VAL A 1 16 ? 4.973 -0.303 5.971 1.00 0.00 ? 16 VAL A CG2 15 ATOM 7980 H H . VAL A 1 16 ? 6.565 1.979 4.375 1.00 0.00 ? 16 VAL A H 15 ATOM 7981 H HA . VAL A 1 16 ? 5.726 -0.720 3.457 1.00 0.00 ? 16 VAL A HA 15 ATOM 7982 H HB . VAL A 1 16 ? 4.382 1.521 5.011 1.00 0.00 ? 16 VAL A HB 15 ATOM 7983 H HG11 . VAL A 1 16 ? 3.091 -1.099 4.141 1.00 0.00 ? 16 VAL A HG11 15 ATOM 7984 H HG12 . VAL A 1 16 ? 2.449 0.032 5.353 1.00 0.00 ? 16 VAL A HG12 15 ATOM 7985 H HG13 . VAL A 1 16 ? 2.578 0.543 3.675 1.00 0.00 ? 16 VAL A HG13 15 ATOM 7986 H HG21 . VAL A 1 16 ? 4.272 -0.174 6.797 1.00 0.00 ? 16 VAL A HG21 15 ATOM 7987 H HG22 . VAL A 1 16 ? 5.044 -1.366 5.737 1.00 0.00 ? 16 VAL A HG22 15 ATOM 7988 H HG23 . VAL A 1 16 ? 5.950 0.068 6.276 1.00 0.00 ? 16 VAL A HG23 15 ATOM 7989 N N . TYR A 1 17 ? 4.232 -0.118 1.522 1.00 0.00 ? 17 TYR A N 15 ATOM 7990 C CA . TYR A 1 17 ? 3.486 0.116 0.284 1.00 0.00 ? 17 TYR A CA 15 ATOM 7991 C C . TYR A 1 17 ? 2.362 -0.934 0.142 1.00 0.00 ? 17 TYR A C 15 ATOM 7992 O O . TYR A 1 17 ? 2.183 -1.808 0.996 1.00 0.00 ? 17 TYR A O 15 ATOM 7993 C CB . TYR A 1 17 ? 4.474 0.080 -0.901 1.00 0.00 ? 17 TYR A CB 15 ATOM 7994 C CG . TYR A 1 17 ? 5.141 -1.253 -1.212 1.00 0.00 ? 17 TYR A CG 15 ATOM 7995 C CD1 . TYR A 1 17 ? 6.254 -1.682 -0.460 1.00 0.00 ? 17 TYR A CD1 15 ATOM 7996 C CD2 . TYR A 1 17 ? 4.710 -2.017 -2.317 1.00 0.00 ? 17 TYR A CD2 15 ATOM 7997 C CE1 . TYR A 1 17 ? 6.957 -2.843 -0.832 1.00 0.00 ? 17 TYR A CE1 15 ATOM 7998 C CE2 . TYR A 1 17 ? 5.403 -3.187 -2.684 1.00 0.00 ? 17 TYR A CE2 15 ATOM 7999 C CZ . TYR A 1 17 ? 6.544 -3.587 -1.958 1.00 0.00 ? 17 TYR A CZ 15 ATOM 8000 O OH . TYR A 1 17 ? 7.252 -4.677 -2.355 1.00 0.00 ? 17 TYR A OH 15 ATOM 8001 H H . TYR A 1 17 ? 4.242 -1.073 1.870 1.00 0.00 ? 17 TYR A H 15 ATOM 8002 H HA . TYR A 1 17 ? 3.020 1.102 0.315 1.00 0.00 ? 17 TYR A HA 15 ATOM 8003 H HB2 . TYR A 1 17 ? 3.957 0.421 -1.795 1.00 0.00 ? 17 TYR A HB2 15 ATOM 8004 H HB3 . TYR A 1 17 ? 5.263 0.812 -0.715 1.00 0.00 ? 17 TYR A HB3 15 ATOM 8005 H HD1 . TYR A 1 17 ? 6.602 -1.090 0.377 1.00 0.00 ? 17 TYR A HD1 15 ATOM 8006 H HD2 . TYR A 1 17 ? 3.866 -1.690 -2.912 1.00 0.00 ? 17 TYR A HD2 15 ATOM 8007 H HE1 . TYR A 1 17 ? 7.837 -3.141 -0.284 1.00 0.00 ? 17 TYR A HE1 15 ATOM 8008 H HE2 . TYR A 1 17 ? 5.085 -3.767 -3.539 1.00 0.00 ? 17 TYR A HE2 15 ATOM 8009 H HH . TYR A 1 17 ? 8.082 -4.757 -1.871 1.00 0.00 ? 17 TYR A HH 15 ATOM 8010 N N . TYR A 1 18 ? 1.592 -0.847 -0.941 1.00 0.00 ? 18 TYR A N 15 ATOM 8011 C CA . TYR A 1 18 ? 0.494 -1.751 -1.287 1.00 0.00 ? 18 TYR A CA 15 ATOM 8012 C C . TYR A 1 18 ? 0.823 -2.632 -2.493 1.00 0.00 ? 18 TYR A C 15 ATOM 8013 O O . TYR A 1 18 ? 1.383 -2.146 -3.480 1.00 0.00 ? 18 TYR A O 15 ATOM 8014 C CB . TYR A 1 18 ? -0.805 -0.959 -1.487 1.00 0.00 ? 18 TYR A CB 15 ATOM 8015 C CG . TYR A 1 18 ? -1.313 -0.297 -0.219 1.00 0.00 ? 18 TYR A CG 15 ATOM 8016 C CD1 . TYR A 1 18 ? -0.859 0.994 0.122 1.00 0.00 ? 18 TYR A CD1 15 ATOM 8017 C CD2 . TYR A 1 18 ? -2.211 -0.973 0.629 1.00 0.00 ? 18 TYR A CD2 15 ATOM 8018 C CE1 . TYR A 1 18 ? -1.296 1.609 1.310 1.00 0.00 ? 18 TYR A CE1 15 ATOM 8019 C CE2 . TYR A 1 18 ? -2.659 -0.355 1.812 1.00 0.00 ? 18 TYR A CE2 15 ATOM 8020 C CZ . TYR A 1 18 ? -2.200 0.933 2.160 1.00 0.00 ? 18 TYR A CZ 15 ATOM 8021 O OH . TYR A 1 18 ? -2.623 1.513 3.314 1.00 0.00 ? 18 TYR A OH 15 ATOM 8022 H H . TYR A 1 18 ? 1.793 -0.109 -1.607 1.00 0.00 ? 18 TYR A H 15 ATOM 8023 H HA . TYR A 1 18 ? 0.318 -2.426 -0.449 1.00 0.00 ? 18 TYR A HA 15 ATOM 8024 H HB2 . TYR A 1 18 ? -0.650 -0.198 -2.255 1.00 0.00 ? 18 TYR A HB2 15 ATOM 8025 H HB3 . TYR A 1 18 ? -1.577 -1.646 -1.844 1.00 0.00 ? 18 TYR A HB3 15 ATOM 8026 H HD1 . TYR A 1 18 ? -0.167 1.511 -0.532 1.00 0.00 ? 18 TYR A HD1 15 ATOM 8027 H HD2 . TYR A 1 18 ? -2.551 -1.971 0.381 1.00 0.00 ? 18 TYR A HD2 15 ATOM 8028 H HE1 . TYR A 1 18 ? -0.942 2.596 1.571 1.00 0.00 ? 18 TYR A HE1 15 ATOM 8029 H HE2 . TYR A 1 18 ? -3.341 -0.869 2.471 1.00 0.00 ? 18 TYR A HE2 15 ATOM 8030 H HH . TYR A 1 18 ? -2.256 2.397 3.424 1.00 0.00 ? 18 TYR A HH 15 ATOM 8031 N N . PHE A 1 19 ? 0.475 -3.917 -2.434 1.00 0.00 ? 19 PHE A N 15 ATOM 8032 C CA . PHE A 1 19 ? 0.822 -4.906 -3.455 1.00 0.00 ? 19 PHE A CA 15 ATOM 8033 C C . PHE A 1 19 ? -0.300 -5.905 -3.756 1.00 0.00 ? 19 PHE A C 15 ATOM 8034 O O . PHE A 1 19 ? -0.965 -6.383 -2.836 1.00 0.00 ? 19 PHE A O 15 ATOM 8035 C CB . PHE A 1 19 ? 2.142 -5.590 -3.077 1.00 0.00 ? 19 PHE A CB 15 ATOM 8036 C CG . PHE A 1 19 ? 2.532 -6.692 -4.035 1.00 0.00 ? 19 PHE A CG 15 ATOM 8037 C CD1 . PHE A 1 19 ? 3.016 -6.321 -5.299 1.00 0.00 ? 19 PHE A CD1 15 ATOM 8038 C CD2 . PHE A 1 19 ? 2.366 -8.054 -3.717 1.00 0.00 ? 19 PHE A CD2 15 ATOM 8039 C CE1 . PHE A 1 19 ? 3.319 -7.296 -6.256 1.00 0.00 ? 19 PHE A CE1 15 ATOM 8040 C CE2 . PHE A 1 19 ? 2.697 -9.036 -4.671 1.00 0.00 ? 19 PHE A CE2 15 ATOM 8041 C CZ . PHE A 1 19 ? 3.166 -8.658 -5.943 1.00 0.00 ? 19 PHE A CZ 15 ATOM 8042 H H . PHE A 1 19 ? 0.020 -4.263 -1.593 1.00 0.00 ? 19 PHE A H 15 ATOM 8043 H HA . PHE A 1 19 ? 1.012 -4.388 -4.397 1.00 0.00 ? 19 PHE A HA 15 ATOM 8044 H HB2 . PHE A 1 19 ? 2.936 -4.841 -3.058 1.00 0.00 ? 19 PHE A HB2 15 ATOM 8045 H HB3 . PHE A 1 19 ? 2.045 -6.014 -2.076 1.00 0.00 ? 19 PHE A HB3 15 ATOM 8046 H HD1 . PHE A 1 19 ? 3.123 -5.277 -5.549 1.00 0.00 ? 19 PHE A HD1 15 ATOM 8047 H HD2 . PHE A 1 19 ? 1.973 -8.352 -2.755 1.00 0.00 ? 19 PHE A HD2 15 ATOM 8048 H HE1 . PHE A 1 19 ? 3.648 -6.975 -7.233 1.00 0.00 ? 19 PHE A HE1 15 ATOM 8049 H HE2 . PHE A 1 19 ? 2.574 -10.083 -4.428 1.00 0.00 ? 19 PHE A HE2 15 ATOM 8050 H HZ . PHE A 1 19 ? 3.399 -9.415 -6.682 1.00 0.00 ? 19 PHE A HZ 15 ATOM 8051 N N . ASN A 1 20 ? -0.514 -6.237 -5.031 1.00 0.00 ? 20 ASN A N 15 ATOM 8052 C CA . ASN A 1 20 ? -1.512 -7.212 -5.459 1.00 0.00 ? 20 ASN A CA 15 ATOM 8053 C C . ASN A 1 20 ? -0.846 -8.534 -5.872 1.00 0.00 ? 20 ASN A C 15 ATOM 8054 O O . ASN A 1 20 ? -0.121 -8.585 -6.868 1.00 0.00 ? 20 ASN A O 15 ATOM 8055 C CB . ASN A 1 20 ? -2.351 -6.596 -6.584 1.00 0.00 ? 20 ASN A CB 15 ATOM 8056 C CG . ASN A 1 20 ? -3.598 -7.420 -6.837 1.00 0.00 ? 20 ASN A CG 15 ATOM 8057 O OD1 . ASN A 1 20 ? -3.542 -8.622 -7.044 1.00 0.00 ? 20 ASN A OD1 15 ATOM 8058 N ND2 . ASN A 1 20 ? -4.756 -6.807 -6.834 1.00 0.00 ? 20 ASN A ND2 15 ATOM 8059 H H . ASN A 1 20 ? 0.065 -5.808 -5.746 1.00 0.00 ? 20 ASN A H 15 ATOM 8060 H HA . ASN A 1 20 ? -2.182 -7.414 -4.630 1.00 0.00 ? 20 ASN A HA 15 ATOM 8061 H HB2 . ASN A 1 20 ? -2.642 -5.587 -6.299 1.00 0.00 ? 20 ASN A HB2 15 ATOM 8062 H HB3 . ASN A 1 20 ? -1.764 -6.546 -7.502 1.00 0.00 ? 20 ASN A HB3 15 ATOM 8063 H HD21 . ASN A 1 20 ? -4.802 -5.828 -6.588 1.00 0.00 ? 20 ASN A HD21 15 ATOM 8064 H HD22 . ASN A 1 20 ? -5.600 -7.358 -6.911 1.00 0.00 ? 20 ASN A HD22 15 ATOM 8065 N N . HIS A 1 21 ? -1.108 -9.619 -5.138 1.00 0.00 ? 21 HIS A N 15 ATOM 8066 C CA . HIS A 1 21 ? -0.475 -10.925 -5.392 1.00 0.00 ? 21 HIS A CA 15 ATOM 8067 C C . HIS A 1 21 ? -1.084 -11.692 -6.585 1.00 0.00 ? 21 HIS A C 15 ATOM 8068 O O . HIS A 1 21 ? -0.440 -12.588 -7.134 1.00 0.00 ? 21 HIS A O 15 ATOM 8069 C CB . HIS A 1 21 ? -0.461 -11.750 -4.092 1.00 0.00 ? 21 HIS A CB 15 ATOM 8070 C CG . HIS A 1 21 ? -1.635 -12.682 -3.889 1.00 0.00 ? 21 HIS A CG 15 ATOM 8071 N ND1 . HIS A 1 21 ? -1.638 -14.050 -4.182 1.00 0.00 ? 21 HIS A ND1 15 ATOM 8072 C CD2 . HIS A 1 21 ? -2.855 -12.344 -3.377 1.00 0.00 ? 21 HIS A CD2 15 ATOM 8073 C CE1 . HIS A 1 21 ? -2.853 -14.504 -3.829 1.00 0.00 ? 21 HIS A CE1 15 ATOM 8074 N NE2 . HIS A 1 21 ? -3.602 -13.501 -3.341 1.00 0.00 ? 21 HIS A NE2 15 ATOM 8075 H H . HIS A 1 21 ? -1.754 -9.529 -4.361 1.00 0.00 ? 21 HIS A H 15 ATOM 8076 H HA . HIS A 1 21 ? 0.566 -10.737 -5.661 1.00 0.00 ? 21 HIS A HA 15 ATOM 8077 H HB2 . HIS A 1 21 ? 0.445 -12.362 -4.105 1.00 0.00 ? 21 HIS A HB2 15 ATOM 8078 H HB3 . HIS A 1 21 ? -0.388 -11.079 -3.232 1.00 0.00 ? 21 HIS A HB3 15 ATOM 8079 H HD2 . HIS A 1 21 ? -3.168 -11.361 -3.058 1.00 0.00 ? 21 HIS A HD2 15 ATOM 8080 H HE1 . HIS A 1 21 ? -3.185 -15.533 -3.924 1.00 0.00 ? 21 HIS A HE1 15 ATOM 8081 H HE2 . HIS A 1 21 ? -4.555 -13.597 -3.001 1.00 0.00 ? 21 HIS A HE2 15 ATOM 8082 N N . ILE A 1 22 ? -2.298 -11.324 -7.016 1.00 0.00 ? 22 ILE A N 15 ATOM 8083 C CA . ILE A 1 22 ? -3.013 -11.917 -8.159 1.00 0.00 ? 22 ILE A CA 15 ATOM 8084 C C . ILE A 1 22 ? -2.543 -11.297 -9.486 1.00 0.00 ? 22 ILE A C 15 ATOM 8085 O O . ILE A 1 22 ? -2.370 -12.003 -10.482 1.00 0.00 ? 22 ILE A O 15 ATOM 8086 C CB . ILE A 1 22 ? -4.537 -11.698 -7.971 1.00 0.00 ? 22 ILE A CB 15 ATOM 8087 C CG1 . ILE A 1 22 ? -5.069 -12.249 -6.625 1.00 0.00 ? 22 ILE A CG1 15 ATOM 8088 C CG2 . ILE A 1 22 ? -5.346 -12.268 -9.147 1.00 0.00 ? 22 ILE A CG2 15 ATOM 8089 C CD1 . ILE A 1 22 ? -5.059 -13.774 -6.484 1.00 0.00 ? 22 ILE A CD1 15 ATOM 8090 H H . ILE A 1 22 ? -2.749 -10.548 -6.548 1.00 0.00 ? 22 ILE A H 15 ATOM 8091 H HA . ILE A 1 22 ? -2.813 -12.987 -8.198 1.00 0.00 ? 22 ILE A HA 15 ATOM 8092 H HB . ILE A 1 22 ? -4.720 -10.622 -7.969 1.00 0.00 ? 22 ILE A HB 15 ATOM 8093 H HG12 . ILE A 1 22 ? -4.477 -11.839 -5.805 1.00 0.00 ? 22 ILE A HG12 15 ATOM 8094 H HG13 . ILE A 1 22 ? -6.096 -11.905 -6.486 1.00 0.00 ? 22 ILE A HG13 15 ATOM 8095 H HG21 . ILE A 1 22 ? -6.412 -12.190 -8.932 1.00 0.00 ? 22 ILE A HG21 15 ATOM 8096 H HG22 . ILE A 1 22 ? -5.142 -11.699 -10.054 1.00 0.00 ? 22 ILE A HG22 15 ATOM 8097 H HG23 . ILE A 1 22 ? -5.085 -13.313 -9.317 1.00 0.00 ? 22 ILE A HG23 15 ATOM 8098 H HD11 . ILE A 1 22 ? -5.706 -14.231 -7.233 1.00 0.00 ? 22 ILE A HD11 15 ATOM 8099 H HD12 . ILE A 1 22 ? -4.043 -14.154 -6.588 1.00 0.00 ? 22 ILE A HD12 15 ATOM 8100 H HD13 . ILE A 1 22 ? -5.439 -14.035 -5.497 1.00 0.00 ? 22 ILE A HD13 15 ATOM 8101 N N . THR A 1 23 ? -2.320 -9.978 -9.493 1.00 0.00 ? 23 THR A N 15 ATOM 8102 C CA . THR A 1 23 ? -2.034 -9.157 -10.689 1.00 0.00 ? 23 THR A CA 15 ATOM 8103 C C . THR A 1 23 ? -0.609 -8.609 -10.807 1.00 0.00 ? 23 THR A C 15 ATOM 8104 O O . THR A 1 23 ? -0.240 -8.067 -11.853 1.00 0.00 ? 23 THR A O 15 ATOM 8105 C CB . THR A 1 23 ? -3.068 -8.029 -10.846 1.00 0.00 ? 23 THR A CB 15 ATOM 8106 O OG1 . THR A 1 23 ? -2.755 -6.980 -9.960 1.00 0.00 ? 23 THR A OG1 15 ATOM 8107 C CG2 . THR A 1 23 ? -4.513 -8.427 -10.550 1.00 0.00 ? 23 THR A CG2 15 ATOM 8108 H H . THR A 1 23 ? -2.519 -9.479 -8.633 1.00 0.00 ? 23 THR A H 15 ATOM 8109 H HA . THR A 1 23 ? -2.166 -9.794 -11.563 1.00 0.00 ? 23 THR A HA 15 ATOM 8110 H HB . THR A 1 23 ? -3.017 -7.648 -11.867 1.00 0.00 ? 23 THR A HB 15 ATOM 8111 H HG1 . THR A 1 23 ? -3.599 -6.577 -9.724 1.00 0.00 ? 23 THR A HG1 15 ATOM 8112 H HG21 . THR A 1 23 ? -5.178 -7.607 -10.822 1.00 0.00 ? 23 THR A HG21 15 ATOM 8113 H HG22 . THR A 1 23 ? -4.778 -9.303 -11.142 1.00 0.00 ? 23 THR A HG22 15 ATOM 8114 H HG23 . THR A 1 23 ? -4.644 -8.652 -9.491 1.00 0.00 ? 23 THR A HG23 15 ATOM 8115 N N . ASN A 1 24 ? 0.199 -8.748 -9.751 1.00 0.00 ? 24 ASN A N 15 ATOM 8116 C CA . ASN A 1 24 ? 1.534 -8.159 -9.580 1.00 0.00 ? 24 ASN A CA 15 ATOM 8117 C C . ASN A 1 24 ? 1.578 -6.611 -9.612 1.00 0.00 ? 24 ASN A C 15 ATOM 8118 O O . ASN A 1 24 ? 2.662 -6.027 -9.710 1.00 0.00 ? 24 ASN A O 15 ATOM 8119 C CB . ASN A 1 24 ? 2.561 -8.847 -10.504 1.00 0.00 ? 24 ASN A CB 15 ATOM 8120 C CG . ASN A 1 24 ? 2.663 -10.343 -10.251 1.00 0.00 ? 24 ASN A CG 15 ATOM 8121 O OD1 . ASN A 1 24 ? 2.997 -10.795 -9.163 1.00 0.00 ? 24 ASN A OD1 15 ATOM 8122 N ND2 . ASN A 1 24 ? 2.424 -11.162 -11.252 1.00 0.00 ? 24 ASN A ND2 15 ATOM 8123 H H . ASN A 1 24 ? -0.197 -9.184 -8.927 1.00 0.00 ? 24 ASN A H 15 ATOM 8124 H HA . ASN A 1 24 ? 1.834 -8.403 -8.561 1.00 0.00 ? 24 ASN A HA 15 ATOM 8125 H HB2 . ASN A 1 24 ? 2.299 -8.663 -11.547 1.00 0.00 ? 24 ASN A HB2 15 ATOM 8126 H HB3 . ASN A 1 24 ? 3.550 -8.425 -10.320 1.00 0.00 ? 24 ASN A HB3 15 ATOM 8127 H HD21 . ASN A 1 24 ? 2.504 -12.157 -11.087 1.00 0.00 ? 24 ASN A HD21 15 ATOM 8128 H HD22 . ASN A 1 24 ? 2.161 -10.792 -12.156 1.00 0.00 ? 24 ASN A HD22 15 ATOM 8129 N N . ALA A 1 25 ? 0.428 -5.930 -9.515 1.00 0.00 ? 25 ALA A N 15 ATOM 8130 C CA . ALA A 1 25 ? 0.360 -4.471 -9.381 1.00 0.00 ? 25 ALA A CA 15 ATOM 8131 C C . ALA A 1 25 ? 0.922 -3.980 -8.027 1.00 0.00 ? 25 ALA A C 15 ATOM 8132 O O . ALA A 1 25 ? 0.868 -4.690 -7.021 1.00 0.00 ? 25 ALA A O 15 ATOM 8133 C CB . ALA A 1 25 ? -1.092 -4.022 -9.588 1.00 0.00 ? 25 ALA A CB 15 ATOM 8134 H H . ALA A 1 25 ? -0.440 -6.449 -9.466 1.00 0.00 ? 25 ALA A H 15 ATOM 8135 H HA . ALA A 1 25 ? 0.964 -4.026 -10.173 1.00 0.00 ? 25 ALA A HA 15 ATOM 8136 H HB1 . ALA A 1 25 ? -1.148 -2.934 -9.560 1.00 0.00 ? 25 ALA A HB1 15 ATOM 8137 H HB2 . ALA A 1 25 ? -1.452 -4.368 -10.558 1.00 0.00 ? 25 ALA A HB2 15 ATOM 8138 H HB3 . ALA A 1 25 ? -1.727 -4.431 -8.801 1.00 0.00 ? 25 ALA A HB3 15 ATOM 8139 N N . SER A 1 26 ? 1.432 -2.744 -7.989 1.00 0.00 ? 26 SER A N 15 ATOM 8140 C CA . SER A 1 26 ? 2.010 -2.109 -6.792 1.00 0.00 ? 26 SER A CA 15 ATOM 8141 C C . SER A 1 26 ? 1.734 -0.600 -6.735 1.00 0.00 ? 26 SER A C 15 ATOM 8142 O O . SER A 1 26 ? 1.758 0.072 -7.770 1.00 0.00 ? 26 SER A O 15 ATOM 8143 C CB . SER A 1 26 ? 3.522 -2.364 -6.699 1.00 0.00 ? 26 SER A CB 15 ATOM 8144 O OG . SER A 1 26 ? 4.212 -1.934 -7.865 1.00 0.00 ? 26 SER A OG 15 ATOM 8145 H H . SER A 1 26 ? 1.443 -2.206 -8.845 1.00 0.00 ? 26 SER A H 15 ATOM 8146 H HA . SER A 1 26 ? 1.559 -2.572 -5.914 1.00 0.00 ? 26 SER A HA 15 ATOM 8147 H HB2 . SER A 1 26 ? 3.920 -1.840 -5.827 1.00 0.00 ? 26 SER A HB2 15 ATOM 8148 H HB3 . SER A 1 26 ? 3.698 -3.428 -6.555 1.00 0.00 ? 26 SER A HB3 15 ATOM 8149 H HG . SER A 1 26 ? 4.032 -0.992 -7.999 1.00 0.00 ? 26 SER A HG 15 ATOM 8150 N N . GLN A 1 27 ? 1.529 -0.054 -5.533 1.00 0.00 ? 27 GLN A N 15 ATOM 8151 C CA . GLN A 1 27 ? 1.295 1.377 -5.283 1.00 0.00 ? 27 GLN A CA 15 ATOM 8152 C C . GLN A 1 27 ? 1.850 1.861 -3.937 1.00 0.00 ? 27 GLN A C 15 ATOM 8153 O O . GLN A 1 27 ? 1.783 1.148 -2.937 1.00 0.00 ? 27 GLN A O 15 ATOM 8154 C CB . GLN A 1 27 ? -0.212 1.692 -5.277 1.00 0.00 ? 27 GLN A CB 15 ATOM 8155 C CG . GLN A 1 27 ? -0.889 1.735 -6.650 1.00 0.00 ? 27 GLN A CG 15 ATOM 8156 C CD . GLN A 1 27 ? -2.379 2.100 -6.602 1.00 0.00 ? 27 GLN A CD 15 ATOM 8157 O OE1 . GLN A 1 27 ? -3.085 2.021 -7.600 1.00 0.00 ? 27 GLN A OE1 15 ATOM 8158 N NE2 . GLN A 1 27 ? -2.918 2.579 -5.497 1.00 0.00 ? 27 GLN A NE2 15 ATOM 8159 H H . GLN A 1 27 ? 1.528 -0.670 -4.725 1.00 0.00 ? 27 GLN A H 15 ATOM 8160 H HA . GLN A 1 27 ? 1.773 1.966 -6.068 1.00 0.00 ? 27 GLN A HA 15 ATOM 8161 H HB2 . GLN A 1 27 ? -0.727 0.971 -4.640 1.00 0.00 ? 27 GLN A HB2 15 ATOM 8162 H HB3 . GLN A 1 27 ? -0.329 2.687 -4.848 1.00 0.00 ? 27 GLN A HB3 15 ATOM 8163 H HG2 . GLN A 1 27 ? -0.375 2.493 -7.242 1.00 0.00 ? 27 GLN A HG2 15 ATOM 8164 H HG3 . GLN A 1 27 ? -0.790 0.765 -7.133 1.00 0.00 ? 27 GLN A HG3 15 ATOM 8165 H HE21 . GLN A 1 27 ? -3.882 2.874 -5.519 1.00 0.00 ? 27 GLN A HE21 15 ATOM 8166 H HE22 . GLN A 1 27 ? -2.372 2.643 -4.639 1.00 0.00 ? 27 GLN A HE22 15 ATOM 8167 N N . PHE A 1 28 ? 2.329 3.107 -3.887 1.00 0.00 ? 28 PHE A N 15 ATOM 8168 C CA . PHE A 1 28 ? 2.682 3.786 -2.631 1.00 0.00 ? 28 PHE A CA 15 ATOM 8169 C C . PHE A 1 28 ? 1.493 4.326 -1.811 1.00 0.00 ? 28 PHE A C 15 ATOM 8170 O O . PHE A 1 28 ? 1.605 4.553 -0.605 1.00 0.00 ? 28 PHE A O 15 ATOM 8171 C CB . PHE A 1 28 ? 3.794 4.821 -2.850 1.00 0.00 ? 28 PHE A CB 15 ATOM 8172 C CG . PHE A 1 28 ? 5.180 4.219 -2.998 1.00 0.00 ? 28 PHE A CG 15 ATOM 8173 C CD1 . PHE A 1 28 ? 5.709 3.958 -4.277 1.00 0.00 ? 28 PHE A CD1 15 ATOM 8174 C CD2 . PHE A 1 28 ? 5.949 3.925 -1.855 1.00 0.00 ? 28 PHE A CD2 15 ATOM 8175 C CE1 . PHE A 1 28 ? 6.999 3.415 -4.413 1.00 0.00 ? 28 PHE A CE1 15 ATOM 8176 C CE2 . PHE A 1 28 ? 7.242 3.387 -1.990 1.00 0.00 ? 28 PHE A CE2 15 ATOM 8177 C CZ . PHE A 1 28 ? 7.768 3.133 -3.269 1.00 0.00 ? 28 PHE A CZ 15 ATOM 8178 H H . PHE A 1 28 ? 2.385 3.639 -4.744 1.00 0.00 ? 28 PHE A H 15 ATOM 8179 H HA . PHE A 1 28 ? 3.122 3.031 -1.977 1.00 0.00 ? 28 PHE A HA 15 ATOM 8180 H HB2 . PHE A 1 28 ? 3.558 5.425 -3.731 1.00 0.00 ? 28 PHE A HB2 15 ATOM 8181 H HB3 . PHE A 1 28 ? 3.821 5.490 -1.986 1.00 0.00 ? 28 PHE A HB3 15 ATOM 8182 H HD1 . PHE A 1 28 ? 5.125 4.178 -5.161 1.00 0.00 ? 28 PHE A HD1 15 ATOM 8183 H HD2 . PHE A 1 28 ? 5.549 4.118 -0.868 1.00 0.00 ? 28 PHE A HD2 15 ATOM 8184 H HE1 . PHE A 1 28 ? 7.404 3.216 -5.397 1.00 0.00 ? 28 PHE A HE1 15 ATOM 8185 H HE2 . PHE A 1 28 ? 7.833 3.171 -1.110 1.00 0.00 ? 28 PHE A HE2 15 ATOM 8186 H HZ . PHE A 1 28 ? 8.763 2.720 -3.374 1.00 0.00 ? 28 PHE A HZ 15 ATOM 8187 N N . GLU A 1 29 ? 0.344 4.506 -2.471 1.00 0.00 ? 29 GLU A N 15 ATOM 8188 C CA . GLU A 1 29 ? -0.954 4.875 -1.881 1.00 0.00 ? 29 GLU A CA 15 ATOM 8189 C C . GLU A 1 29 ? -1.941 3.691 -1.949 1.00 0.00 ? 29 GLU A C 15 ATOM 8190 O O . GLU A 1 29 ? -1.795 2.814 -2.808 1.00 0.00 ? 29 GLU A O 15 ATOM 8191 C CB . GLU A 1 29 ? -1.478 6.128 -2.613 1.00 0.00 ? 29 GLU A CB 15 ATOM 8192 C CG . GLU A 1 29 ? -2.793 6.720 -2.080 1.00 0.00 ? 29 GLU A CG 15 ATOM 8193 C CD . GLU A 1 29 ? -2.703 7.084 -0.587 1.00 0.00 ? 29 GLU A CD 15 ATOM 8194 O OE1 . GLU A 1 29 ? -3.007 6.214 0.264 1.00 0.00 ? 29 GLU A OE1 15 ATOM 8195 O OE2 . GLU A 1 29 ? -2.320 8.234 -0.259 1.00 0.00 ? 29 GLU A OE2 15 ATOM 8196 H H . GLU A 1 29 ? 0.334 4.252 -3.451 1.00 0.00 ? 29 GLU A H 15 ATOM 8197 H HA . GLU A 1 29 ? -0.814 5.125 -0.829 1.00 0.00 ? 29 GLU A HA 15 ATOM 8198 H HB2 . GLU A 1 29 ? -0.715 6.905 -2.555 1.00 0.00 ? 29 GLU A HB2 15 ATOM 8199 H HB3 . GLU A 1 29 ? -1.619 5.881 -3.667 1.00 0.00 ? 29 GLU A HB3 15 ATOM 8200 H HG2 . GLU A 1 29 ? -3.029 7.613 -2.662 1.00 0.00 ? 29 GLU A HG2 15 ATOM 8201 H HG3 . GLU A 1 29 ? -3.606 6.010 -2.245 1.00 0.00 ? 29 GLU A HG3 15 ATOM 8202 N N . ARG A 1 30 ? -2.957 3.645 -1.076 1.00 0.00 ? 30 ARG A N 15 ATOM 8203 C CA . ARG A 1 30 ? -3.928 2.535 -1.038 1.00 0.00 ? 30 ARG A CA 15 ATOM 8204 C C . ARG A 1 30 ? -4.682 2.356 -2.375 1.00 0.00 ? 30 ARG A C 15 ATOM 8205 O O . ARG A 1 30 ? -4.933 3.343 -3.077 1.00 0.00 ? 30 ARG A O 15 ATOM 8206 C CB . ARG A 1 30 ? -4.897 2.680 0.152 1.00 0.00 ? 30 ARG A CB 15 ATOM 8207 C CG . ARG A 1 30 ? -5.853 3.888 0.078 1.00 0.00 ? 30 ARG A CG 15 ATOM 8208 C CD . ARG A 1 30 ? -7.223 3.571 0.692 1.00 0.00 ? 30 ARG A CD 15 ATOM 8209 N NE . ARG A 1 30 ? -7.965 2.569 -0.106 1.00 0.00 ? 30 ARG A NE 15 ATOM 8210 C CZ . ARG A 1 30 ? -8.973 1.819 0.300 1.00 0.00 ? 30 ARG A CZ 15 ATOM 8211 N NH1 . ARG A 1 30 ? -9.497 0.957 -0.518 1.00 0.00 ? 30 ARG A NH1 15 ATOM 8212 N NH2 . ARG A 1 30 ? -9.478 1.905 1.499 1.00 0.00 ? 30 ARG A NH2 15 ATOM 8213 H H . ARG A 1 30 ? -3.062 4.417 -0.420 1.00 0.00 ? 30 ARG A H 15 ATOM 8214 H HA . ARG A 1 30 ? -3.351 1.626 -0.874 1.00 0.00 ? 30 ARG A HA 15 ATOM 8215 H HB2 . ARG A 1 30 ? -5.479 1.761 0.219 1.00 0.00 ? 30 ARG A HB2 15 ATOM 8216 H HB3 . ARG A 1 30 ? -4.321 2.751 1.075 1.00 0.00 ? 30 ARG A HB3 15 ATOM 8217 H HG2 . ARG A 1 30 ? -5.404 4.718 0.627 1.00 0.00 ? 30 ARG A HG2 15 ATOM 8218 H HG3 . ARG A 1 30 ? -6.016 4.202 -0.952 1.00 0.00 ? 30 ARG A HG3 15 ATOM 8219 H HD2 . ARG A 1 30 ? -7.070 3.207 1.710 1.00 0.00 ? 30 ARG A HD2 15 ATOM 8220 H HD3 . ARG A 1 30 ? -7.806 4.492 0.738 1.00 0.00 ? 30 ARG A HD3 15 ATOM 8221 H HE . ARG A 1 30 ? -7.674 2.414 -1.067 1.00 0.00 ? 30 ARG A HE 15 ATOM 8222 H HH11 . ARG A 1 30 ? -9.118 0.903 -1.459 1.00 0.00 ? 30 ARG A HH11 15 ATOM 8223 H HH12 . ARG A 1 30 ? -10.282 0.392 -0.241 1.00 0.00 ? 30 ARG A HH12 15 ATOM 8224 H HH21 . ARG A 1 30 ? -9.103 2.580 2.143 1.00 0.00 ? 30 ARG A HH21 15 ATOM 8225 H HH22 . ARG A 1 30 ? -10.252 1.321 1.769 1.00 0.00 ? 30 ARG A HH22 15 ATOM 8226 N N . PRO A 1 31 ? -5.078 1.122 -2.741 1.00 0.00 ? 31 PRO A N 15 ATOM 8227 C CA . PRO A 1 31 ? -5.859 0.853 -3.950 1.00 0.00 ? 31 PRO A CA 15 ATOM 8228 C C . PRO A 1 31 ? -7.280 1.430 -3.871 1.00 0.00 ? 31 PRO A C 15 ATOM 8229 O O . PRO A 1 31 ? -7.902 1.439 -2.806 1.00 0.00 ? 31 PRO A O 15 ATOM 8230 C CB . PRO A 1 31 ? -5.862 -0.671 -4.095 1.00 0.00 ? 31 PRO A CB 15 ATOM 8231 C CG . PRO A 1 31 ? -5.750 -1.147 -2.648 1.00 0.00 ? 31 PRO A CG 15 ATOM 8232 C CD . PRO A 1 31 ? -4.816 -0.117 -2.025 1.00 0.00 ? 31 PRO A CD 15 ATOM 8233 H HA . PRO A 1 31 ? -5.359 1.293 -4.809 1.00 0.00 ? 31 PRO A HA 15 ATOM 8234 H HB2 . PRO A 1 31 ? -6.767 -1.041 -4.578 1.00 0.00 ? 31 PRO A HB2 15 ATOM 8235 H HB3 . PRO A 1 31 ? -4.975 -0.980 -4.649 1.00 0.00 ? 31 PRO A HB3 15 ATOM 8236 H HG2 . PRO A 1 31 ? -6.727 -1.088 -2.164 1.00 0.00 ? 31 PRO A HG2 15 ATOM 8237 H HG3 . PRO A 1 31 ? -5.340 -2.152 -2.573 1.00 0.00 ? 31 PRO A HG3 15 ATOM 8238 H HD2 . PRO A 1 31 ? -5.025 -0.022 -0.961 1.00 0.00 ? 31 PRO A HD2 15 ATOM 8239 H HD3 . PRO A 1 31 ? -3.777 -0.416 -2.181 1.00 0.00 ? 31 PRO A HD3 15 ATOM 8240 N N . SER A 1 32 ? -7.811 1.894 -5.004 1.00 0.00 ? 32 SER A N 15 ATOM 8241 C CA . SER A 1 32 ? -9.128 2.555 -5.090 1.00 0.00 ? 32 SER A CA 15 ATOM 8242 C C . SER A 1 32 ? -10.329 1.598 -4.997 1.00 0.00 ? 32 SER A C 15 ATOM 8243 O O . SER A 1 32 ? -11.421 2.023 -4.610 1.00 0.00 ? 32 SER A O 15 ATOM 8244 C CB . SER A 1 32 ? -9.230 3.339 -6.404 1.00 0.00 ? 32 SER A CB 15 ATOM 8245 O OG . SER A 1 32 ? -8.243 4.359 -6.455 1.00 0.00 ? 32 SER A OG 15 ATOM 8246 H H . SER A 1 32 ? -7.239 1.887 -5.837 1.00 0.00 ? 32 SER A H 15 ATOM 8247 H HA . SER A 1 32 ? -9.217 3.266 -4.268 1.00 0.00 ? 32 SER A HA 15 ATOM 8248 H HB2 . SER A 1 32 ? -9.102 2.658 -7.248 1.00 0.00 ? 32 SER A HB2 15 ATOM 8249 H HB3 . SER A 1 32 ? -10.218 3.798 -6.472 1.00 0.00 ? 32 SER A HB3 15 ATOM 8250 H HG . SER A 1 32 ? -8.358 4.846 -7.285 1.00 0.00 ? 32 SER A HG 15 ATOM 8251 N N . GLY A 1 33 ? -10.141 0.317 -5.348 1.00 0.00 ? 33 GLY A N 15 ATOM 8252 C CA . GLY A 1 33 ? -11.200 -0.707 -5.431 1.00 0.00 ? 33 GLY A CA 15 ATOM 8253 C C . GLY A 1 33 ? -12.212 -0.453 -6.551 1.00 0.00 ? 33 GLY A C 15 ATOM 8254 O O . GLY A 1 33 ? -11.784 -0.197 -7.699 1.00 0.00 ? 33 GLY A O 15 ATOM 8255 O OXT . GLY A 1 33 ? -13.430 -0.541 -6.279 1.00 0.00 ? 33 GLY A OXT 15 ATOM 8256 H H . GLY A 1 33 ? -9.214 0.060 -5.659 1.00 0.00 ? 33 GLY A H 15 ATOM 8257 H HA2 . GLY A 1 33 ? -10.750 -1.682 -5.612 1.00 0.00 ? 33 GLY A HA2 15 ATOM 8258 H HA3 . GLY A 1 33 ? -11.738 -0.751 -4.485 1.00 0.00 ? 33 GLY A HA3 15 HETATM 8259 C C1 . GAL B 2 . ? 12.972 2.006 0.332 1.00 0.00 ? 101 GAL A C1 15 HETATM 8260 C C2 . GAL B 2 . ? 12.681 3.473 -0.046 1.00 0.00 ? 101 GAL A C2 15 HETATM 8261 C C3 . GAL B 2 . ? 11.679 3.479 -1.213 1.00 0.00 ? 101 GAL A C3 15 HETATM 8262 C C4 . GAL B 2 . ? 12.222 2.682 -2.415 1.00 0.00 ? 101 GAL A C4 15 HETATM 8263 C C5 . GAL B 2 . ? 12.648 1.259 -1.999 1.00 0.00 ? 101 GAL A C5 15 HETATM 8264 C C6 . GAL B 2 . ? 13.333 0.460 -3.117 1.00 0.00 ? 101 GAL A C6 15 HETATM 8265 O O2 . GAL B 2 . ? 12.118 4.187 1.089 1.00 0.00 ? 101 GAL A O2 15 HETATM 8266 O O3 . GAL B 2 . ? 11.419 4.845 -1.636 1.00 0.00 ? 101 GAL A O3 15 HETATM 8267 O O4 . GAL B 2 . ? 13.361 3.392 -2.955 1.00 0.00 ? 101 GAL A O4 15 HETATM 8268 O O5 . GAL B 2 . ? 13.552 1.310 -0.818 1.00 0.00 ? 101 GAL A O5 15 HETATM 8269 O O6 . GAL B 2 . ? 13.829 -0.771 -2.558 1.00 0.00 ? 101 GAL A O6 15 HETATM 8270 H H1 . GAL B 2 . ? 12.044 1.507 0.611 1.00 0.00 ? 101 GAL A H1 15 HETATM 8271 H H2 . GAL B 2 . ? 13.606 3.967 -0.345 1.00 0.00 ? 101 GAL A H2 15 HETATM 8272 H H3 . GAL B 2 . ? 10.739 3.031 -0.884 1.00 0.00 ? 101 GAL A H3 15 HETATM 8273 H H4 . GAL B 2 . ? 11.453 2.618 -3.186 1.00 0.00 ? 101 GAL A H4 15 HETATM 8274 H H5 . GAL B 2 . ? 11.749 0.721 -1.706 1.00 0.00 ? 101 GAL A H5 15 HETATM 8275 H H61 . GAL B 2 . ? 12.625 0.241 -3.920 1.00 0.00 ? 101 GAL A H61 15 HETATM 8276 H H62 . GAL B 2 . ? 14.176 1.018 -3.529 1.00 0.00 ? 101 GAL A H62 15 HETATM 8277 H HO2 . GAL B 2 . ? 12.859 4.433 1.666 1.00 0.00 ? 101 GAL A HO2 15 HETATM 8278 H HO3 . GAL B 2 . ? 11.181 5.352 -0.844 1.00 0.00 ? 101 GAL A HO3 15 HETATM 8279 H HO4 . GAL B 2 . ? 13.090 4.318 -3.066 1.00 0.00 ? 101 GAL A HO4 15 HETATM 8280 H HO6 . GAL B 2 . ? 14.238 -0.534 -1.713 1.00 0.00 ? 101 GAL A HO6 15 ATOM 8281 N N . LYS A 1 1 ? -11.202 -5.161 3.947 1.00 0.00 ? 1 LYS A N 16 ATOM 8282 C CA . LYS A 1 1 ? -9.993 -4.326 4.185 1.00 0.00 ? 1 LYS A CA 16 ATOM 8283 C C . LYS A 1 1 ? -9.505 -3.671 2.887 1.00 0.00 ? 1 LYS A C 16 ATOM 8284 O O . LYS A 1 1 ? -9.640 -2.455 2.724 1.00 0.00 ? 1 LYS A O 16 ATOM 8285 C CB . LYS A 1 1 ? -8.882 -5.120 4.915 1.00 0.00 ? 1 LYS A CB 16 ATOM 8286 C CG . LYS A 1 1 ? -7.741 -4.213 5.416 1.00 0.00 ? 1 LYS A CG 16 ATOM 8287 C CD . LYS A 1 1 ? -6.555 -5.000 6.000 1.00 0.00 ? 1 LYS A CD 16 ATOM 8288 C CE . LYS A 1 1 ? -5.715 -5.667 4.901 1.00 0.00 ? 1 LYS A CE 16 ATOM 8289 N NZ . LYS A 1 1 ? -4.542 -6.384 5.463 1.00 0.00 ? 1 LYS A NZ 16 ATOM 8290 H H1 . LYS A 1 1 ? -10.996 -5.945 3.346 1.00 0.00 ? 1 LYS A H1 16 ATOM 8291 H H2 . LYS A 1 1 ? -11.935 -4.613 3.519 1.00 0.00 ? 1 LYS A H2 16 ATOM 8292 H H3 . LYS A 1 1 ? -11.556 -5.520 4.822 1.00 0.00 ? 1 LYS A H3 16 ATOM 8293 H HA . LYS A 1 1 ? -10.287 -3.505 4.841 1.00 0.00 ? 1 LYS A HA 16 ATOM 8294 H HB2 . LYS A 1 1 ? -9.316 -5.624 5.780 1.00 0.00 ? 1 LYS A HB2 16 ATOM 8295 H HB3 . LYS A 1 1 ? -8.481 -5.886 4.250 1.00 0.00 ? 1 LYS A HB3 16 ATOM 8296 H HG2 . LYS A 1 1 ? -7.375 -3.578 4.610 1.00 0.00 ? 1 LYS A HG2 16 ATOM 8297 H HG3 . LYS A 1 1 ? -8.141 -3.563 6.197 1.00 0.00 ? 1 LYS A HG3 16 ATOM 8298 H HD2 . LYS A 1 1 ? -5.921 -4.303 6.550 1.00 0.00 ? 1 LYS A HD2 16 ATOM 8299 H HD3 . LYS A 1 1 ? -6.924 -5.754 6.700 1.00 0.00 ? 1 LYS A HD3 16 ATOM 8300 H HE2 . LYS A 1 1 ? -6.339 -6.367 4.339 1.00 0.00 ? 1 LYS A HE2 16 ATOM 8301 H HE3 . LYS A 1 1 ? -5.370 -4.891 4.213 1.00 0.00 ? 1 LYS A HE3 16 ATOM 8302 H HZ1 . LYS A 1 1 ? -3.966 -5.770 6.021 1.00 0.00 ? 1 LYS A HZ1 16 ATOM 8303 H HZ2 . LYS A 1 1 ? -4.825 -7.163 6.040 1.00 0.00 ? 1 LYS A HZ2 16 ATOM 8304 H HZ3 . LYS A 1 1 ? -3.949 -6.752 4.717 1.00 0.00 ? 1 LYS A HZ3 16 ATOM 8305 N N . LEU A 1 2 ? -8.950 -4.458 1.956 1.00 0.00 ? 2 LEU A N 16 ATOM 8306 C CA . LEU A 1 2 ? -8.405 -4.029 0.655 1.00 0.00 ? 2 LEU A CA 16 ATOM 8307 C C . LEU A 1 2 ? -9.184 -4.660 -0.529 1.00 0.00 ? 2 LEU A C 16 ATOM 8308 O O . LEU A 1 2 ? -9.910 -5.639 -0.316 1.00 0.00 ? 2 LEU A O 16 ATOM 8309 C CB . LEU A 1 2 ? -6.907 -4.397 0.613 1.00 0.00 ? 2 LEU A CB 16 ATOM 8310 C CG . LEU A 1 2 ? -6.009 -3.527 1.510 1.00 0.00 ? 2 LEU A CG 16 ATOM 8311 C CD1 . LEU A 1 2 ? -4.636 -4.175 1.674 1.00 0.00 ? 2 LEU A CD1 16 ATOM 8312 C CD2 . LEU A 1 2 ? -5.792 -2.139 0.910 1.00 0.00 ? 2 LEU A CD2 16 ATOM 8313 H H . LEU A 1 2 ? -8.894 -5.449 2.149 1.00 0.00 ? 2 LEU A H 16 ATOM 8314 H HA . LEU A 1 2 ? -8.503 -2.951 0.567 1.00 0.00 ? 2 LEU A HA 16 ATOM 8315 H HB2 . LEU A 1 2 ? -6.804 -5.446 0.909 1.00 0.00 ? 2 LEU A HB2 16 ATOM 8316 H HB3 . LEU A 1 2 ? -6.543 -4.299 -0.407 1.00 0.00 ? 2 LEU A HB3 16 ATOM 8317 H HG . LEU A 1 2 ? -6.459 -3.424 2.495 1.00 0.00 ? 2 LEU A HG 16 ATOM 8318 H HD11 . LEU A 1 2 ? -4.019 -3.572 2.341 1.00 0.00 ? 2 LEU A HD11 16 ATOM 8319 H HD12 . LEU A 1 2 ? -4.751 -5.169 2.103 1.00 0.00 ? 2 LEU A HD12 16 ATOM 8320 H HD13 . LEU A 1 2 ? -4.146 -4.259 0.704 1.00 0.00 ? 2 LEU A HD13 16 ATOM 8321 H HD21 . LEU A 1 2 ? -6.744 -1.647 0.734 1.00 0.00 ? 2 LEU A HD21 16 ATOM 8322 H HD22 . LEU A 1 2 ? -5.212 -1.529 1.600 1.00 0.00 ? 2 LEU A HD22 16 ATOM 8323 H HD23 . LEU A 1 2 ? -5.253 -2.229 -0.033 1.00 0.00 ? 2 LEU A HD23 16 ATOM 8324 N N . PRO A 1 3 ? -9.061 -4.131 -1.767 1.00 0.00 ? 3 PRO A N 16 ATOM 8325 C CA . PRO A 1 3 ? -9.723 -4.689 -2.955 1.00 0.00 ? 3 PRO A CA 16 ATOM 8326 C C . PRO A 1 3 ? -9.154 -6.068 -3.372 1.00 0.00 ? 3 PRO A C 16 ATOM 8327 O O . PRO A 1 3 ? -8.134 -6.502 -2.824 1.00 0.00 ? 3 PRO A O 16 ATOM 8328 C CB . PRO A 1 3 ? -9.562 -3.640 -4.068 1.00 0.00 ? 3 PRO A CB 16 ATOM 8329 C CG . PRO A 1 3 ? -9.043 -2.388 -3.367 1.00 0.00 ? 3 PRO A CG 16 ATOM 8330 C CD . PRO A 1 3 ? -8.324 -2.933 -2.143 1.00 0.00 ? 3 PRO A CD 16 ATOM 8331 H HA . PRO A 1 3 ? -10.785 -4.800 -2.734 1.00 0.00 ? 3 PRO A HA 16 ATOM 8332 H HB2 . PRO A 1 3 ? -8.830 -3.969 -4.806 1.00 0.00 ? 3 PRO A HB2 16 ATOM 8333 H HB3 . PRO A 1 3 ? -10.516 -3.437 -4.559 1.00 0.00 ? 3 PRO A HB3 16 ATOM 8334 H HG2 . PRO A 1 3 ? -8.367 -1.825 -4.011 1.00 0.00 ? 3 PRO A HG2 16 ATOM 8335 H HG3 . PRO A 1 3 ? -9.886 -1.775 -3.047 1.00 0.00 ? 3 PRO A HG3 16 ATOM 8336 H HD2 . PRO A 1 3 ? -7.304 -3.207 -2.413 1.00 0.00 ? 3 PRO A HD2 16 ATOM 8337 H HD3 . PRO A 1 3 ? -8.317 -2.177 -1.359 1.00 0.00 ? 3 PRO A HD3 16 ATOM 8338 N N . PRO A 1 4 ? -9.763 -6.767 -4.353 1.00 0.00 ? 4 PRO A N 16 ATOM 8339 C CA . PRO A 1 4 ? -9.379 -8.127 -4.744 1.00 0.00 ? 4 PRO A CA 16 ATOM 8340 C C . PRO A 1 4 ? -7.881 -8.309 -5.046 1.00 0.00 ? 4 PRO A C 16 ATOM 8341 O O . PRO A 1 4 ? -7.310 -7.654 -5.923 1.00 0.00 ? 4 PRO A O 16 ATOM 8342 C CB . PRO A 1 4 ? -10.261 -8.474 -5.950 1.00 0.00 ? 4 PRO A CB 16 ATOM 8343 C CG . PRO A 1 4 ? -11.527 -7.665 -5.680 1.00 0.00 ? 4 PRO A CG 16 ATOM 8344 C CD . PRO A 1 4 ? -10.976 -6.380 -5.065 1.00 0.00 ? 4 PRO A CD 16 ATOM 8345 H HA . PRO A 1 4 ? -9.655 -8.793 -3.924 1.00 0.00 ? 4 PRO A HA 16 ATOM 8346 H HB2 . PRO A 1 4 ? -9.798 -8.124 -6.875 1.00 0.00 ? 4 PRO A HB2 16 ATOM 8347 H HB3 . PRO A 1 4 ? -10.468 -9.544 -6.004 1.00 0.00 ? 4 PRO A HB3 16 ATOM 8348 H HG2 . PRO A 1 4 ? -12.086 -7.469 -6.595 1.00 0.00 ? 4 PRO A HG2 16 ATOM 8349 H HG3 . PRO A 1 4 ? -12.148 -8.186 -4.949 1.00 0.00 ? 4 PRO A HG3 16 ATOM 8350 H HD2 . PRO A 1 4 ? -10.719 -5.676 -5.859 1.00 0.00 ? 4 PRO A HD2 16 ATOM 8351 H HD3 . PRO A 1 4 ? -11.719 -5.943 -4.397 1.00 0.00 ? 4 PRO A HD3 16 ATOM 8352 N N . GLY A 1 5 ? -7.244 -9.217 -4.300 1.00 0.00 ? 5 GLY A N 16 ATOM 8353 C CA . GLY A 1 5 ? -5.826 -9.576 -4.410 1.00 0.00 ? 5 GLY A CA 16 ATOM 8354 C C . GLY A 1 5 ? -4.823 -8.605 -3.766 1.00 0.00 ? 5 GLY A C 16 ATOM 8355 O O . GLY A 1 5 ? -3.652 -8.965 -3.643 1.00 0.00 ? 5 GLY A O 16 ATOM 8356 H H . GLY A 1 5 ? -7.786 -9.698 -3.595 1.00 0.00 ? 5 GLY A H 16 ATOM 8357 H HA2 . GLY A 1 5 ? -5.686 -10.549 -3.936 1.00 0.00 ? 5 GLY A HA2 16 ATOM 8358 H HA3 . GLY A 1 5 ? -5.569 -9.669 -5.467 1.00 0.00 ? 5 GLY A HA3 16 ATOM 8359 N N . TRP A 1 6 ? -5.236 -7.411 -3.329 1.00 0.00 ? 6 TRP A N 16 ATOM 8360 C CA . TRP A 1 6 ? -4.361 -6.445 -2.645 1.00 0.00 ? 6 TRP A CA 16 ATOM 8361 C C . TRP A 1 6 ? -4.039 -6.814 -1.187 1.00 0.00 ? 6 TRP A C 16 ATOM 8362 O O . TRP A 1 6 ? -4.917 -7.240 -0.432 1.00 0.00 ? 6 TRP A O 16 ATOM 8363 C CB . TRP A 1 6 ? -4.948 -5.032 -2.717 1.00 0.00 ? 6 TRP A CB 16 ATOM 8364 C CG . TRP A 1 6 ? -4.941 -4.368 -4.059 1.00 0.00 ? 6 TRP A CG 16 ATOM 8365 C CD1 . TRP A 1 6 ? -5.938 -4.445 -4.969 1.00 0.00 ? 6 TRP A CD1 16 ATOM 8366 C CD2 . TRP A 1 6 ? -3.825 -3.736 -4.759 1.00 0.00 ? 6 TRP A CD2 16 ATOM 8367 N NE1 . TRP A 1 6 ? -5.567 -3.798 -6.130 1.00 0.00 ? 6 TRP A NE1 16 ATOM 8368 C CE2 . TRP A 1 6 ? -4.257 -3.377 -6.070 1.00 0.00 ? 6 TRP A CE2 16 ATOM 8369 C CE3 . TRP A 1 6 ? -2.491 -3.423 -4.416 1.00 0.00 ? 6 TRP A CE3 16 ATOM 8370 C CZ2 . TRP A 1 6 ? -3.409 -2.767 -7.003 1.00 0.00 ? 6 TRP A CZ2 16 ATOM 8371 C CZ3 . TRP A 1 6 ? -1.636 -2.786 -5.337 1.00 0.00 ? 6 TRP A CZ3 16 ATOM 8372 C CH2 . TRP A 1 6 ? -2.089 -2.461 -6.628 1.00 0.00 ? 6 TRP A CH2 16 ATOM 8373 H H . TRP A 1 6 ? -6.219 -7.181 -3.408 1.00 0.00 ? 6 TRP A H 16 ATOM 8374 H HA . TRP A 1 6 ? -3.412 -6.414 -3.177 1.00 0.00 ? 6 TRP A HA 16 ATOM 8375 H HB2 . TRP A 1 6 ? -5.977 -5.075 -2.366 1.00 0.00 ? 6 TRP A HB2 16 ATOM 8376 H HB3 . TRP A 1 6 ? -4.382 -4.387 -2.040 1.00 0.00 ? 6 TRP A HB3 16 ATOM 8377 H HD1 . TRP A 1 6 ? -6.889 -4.932 -4.798 1.00 0.00 ? 6 TRP A HD1 16 ATOM 8378 H HE1 . TRP A 1 6 ? -6.185 -3.686 -6.930 1.00 0.00 ? 6 TRP A HE1 16 ATOM 8379 H HE3 . TRP A 1 6 ? -2.133 -3.674 -3.427 1.00 0.00 ? 6 TRP A HE3 16 ATOM 8380 H HZ2 . TRP A 1 6 ? -3.772 -2.550 -7.997 1.00 0.00 ? 6 TRP A HZ2 16 ATOM 8381 H HZ3 . TRP A 1 6 ? -0.623 -2.547 -5.050 1.00 0.00 ? 6 TRP A HZ3 16 ATOM 8382 H HH2 . TRP A 1 6 ? -1.421 -1.983 -7.333 1.00 0.00 ? 6 TRP A HH2 16 ATOM 8383 N N . GLU A 1 7 ? -2.790 -6.592 -0.771 1.00 0.00 ? 7 GLU A N 16 ATOM 8384 C CA . GLU A 1 7 ? -2.298 -6.762 0.603 1.00 0.00 ? 7 GLU A CA 16 ATOM 8385 C C . GLU A 1 7 ? -1.103 -5.826 0.895 1.00 0.00 ? 7 GLU A C 16 ATOM 8386 O O . GLU A 1 7 ? -0.367 -5.438 -0.019 1.00 0.00 ? 7 GLU A O 16 ATOM 8387 C CB . GLU A 1 7 ? -1.969 -8.253 0.838 1.00 0.00 ? 7 GLU A CB 16 ATOM 8388 C CG . GLU A 1 7 ? -1.297 -8.677 2.159 1.00 0.00 ? 7 GLU A CG 16 ATOM 8389 C CD . GLU A 1 7 ? -2.005 -8.263 3.469 1.00 0.00 ? 7 GLU A CD 16 ATOM 8390 O OE1 . GLU A 1 7 ? -1.790 -8.939 4.504 1.00 0.00 ? 7 GLU A OE1 16 ATOM 8391 O OE2 . GLU A 1 7 ? -2.754 -7.257 3.508 1.00 0.00 ? 7 GLU A OE2 16 ATOM 8392 H H . GLU A 1 7 ? -2.100 -6.318 -1.464 1.00 0.00 ? 7 GLU A H 16 ATOM 8393 H HA . GLU A 1 7 ? -3.099 -6.483 1.283 1.00 0.00 ? 7 GLU A HA 16 ATOM 8394 H HB2 . GLU A 1 7 ? -2.892 -8.826 0.737 1.00 0.00 ? 7 GLU A HB2 16 ATOM 8395 H HB3 . GLU A 1 7 ? -1.309 -8.579 0.031 1.00 0.00 ? 7 GLU A HB3 16 ATOM 8396 H HG2 . GLU A 1 7 ? -1.198 -9.765 2.139 1.00 0.00 ? 7 GLU A HG2 16 ATOM 8397 H HG3 . GLU A 1 7 ? -0.284 -8.274 2.169 1.00 0.00 ? 7 GLU A HG3 16 ATOM 8398 N N . LYS A 1 8 ? -0.896 -5.444 2.162 1.00 0.00 ? 8 LYS A N 16 ATOM 8399 C CA . LYS A 1 8 ? 0.268 -4.645 2.594 1.00 0.00 ? 8 LYS A CA 16 ATOM 8400 C C . LYS A 1 8 ? 1.599 -5.396 2.496 1.00 0.00 ? 8 LYS A C 16 ATOM 8401 O O . LYS A 1 8 ? 1.678 -6.600 2.758 1.00 0.00 ? 8 LYS A O 16 ATOM 8402 C CB . LYS A 1 8 ? 0.070 -4.063 4.004 1.00 0.00 ? 8 LYS A CB 16 ATOM 8403 C CG . LYS A 1 8 ? -0.836 -2.828 3.951 1.00 0.00 ? 8 LYS A CG 16 ATOM 8404 C CD . LYS A 1 8 ? -1.121 -2.228 5.334 1.00 0.00 ? 8 LYS A CD 16 ATOM 8405 C CE . LYS A 1 8 ? 0.125 -1.570 5.945 1.00 0.00 ? 8 LYS A CE 16 ATOM 8406 N NZ . LYS A 1 8 ? -0.171 -0.979 7.275 1.00 0.00 ? 8 LYS A NZ 16 ATOM 8407 H H . LYS A 1 8 ? -1.530 -5.809 2.869 1.00 0.00 ? 8 LYS A H 16 ATOM 8408 H HA . LYS A 1 8 ? 0.358 -3.803 1.905 1.00 0.00 ? 8 LYS A HA 16 ATOM 8409 H HB2 . LYS A 1 8 ? -0.359 -4.821 4.661 1.00 0.00 ? 8 LYS A HB2 16 ATOM 8410 H HB3 . LYS A 1 8 ? 1.039 -3.764 4.405 1.00 0.00 ? 8 LYS A HB3 16 ATOM 8411 H HG2 . LYS A 1 8 ? -0.363 -2.065 3.327 1.00 0.00 ? 8 LYS A HG2 16 ATOM 8412 H HG3 . LYS A 1 8 ? -1.781 -3.119 3.493 1.00 0.00 ? 8 LYS A HG3 16 ATOM 8413 H HD2 . LYS A 1 8 ? -1.899 -1.470 5.225 1.00 0.00 ? 8 LYS A HD2 16 ATOM 8414 H HD3 . LYS A 1 8 ? -1.493 -3.009 5.998 1.00 0.00 ? 8 LYS A HD3 16 ATOM 8415 H HE2 . LYS A 1 8 ? 0.923 -2.313 6.041 1.00 0.00 ? 8 LYS A HE2 16 ATOM 8416 H HE3 . LYS A 1 8 ? 0.477 -0.790 5.264 1.00 0.00 ? 8 LYS A HE3 16 ATOM 8417 H HZ1 . LYS A 1 8 ? -0.489 -1.684 7.928 1.00 0.00 ? 8 LYS A HZ1 16 ATOM 8418 H HZ2 . LYS A 1 8 ? 0.651 -0.544 7.674 1.00 0.00 ? 8 LYS A HZ2 16 ATOM 8419 H HZ3 . LYS A 1 8 ? -0.890 -0.270 7.210 1.00 0.00 ? 8 LYS A HZ3 16 ATOM 8420 N N . ARG A 1 9 ? 2.653 -4.654 2.158 1.00 0.00 ? 9 ARG A N 16 ATOM 8421 C CA . ARG A 1 9 ? 4.044 -5.118 1.994 1.00 0.00 ? 9 ARG A CA 16 ATOM 8422 C C . ARG A 1 9 ? 5.027 -4.021 2.443 1.00 0.00 ? 9 ARG A C 16 ATOM 8423 O O . ARG A 1 9 ? 4.616 -2.887 2.694 1.00 0.00 ? 9 ARG A O 16 ATOM 8424 C CB . ARG A 1 9 ? 4.215 -5.567 0.526 1.00 0.00 ? 9 ARG A CB 16 ATOM 8425 C CG . ARG A 1 9 ? 5.506 -6.357 0.257 1.00 0.00 ? 9 ARG A CG 16 ATOM 8426 C CD . ARG A 1 9 ? 5.466 -7.086 -1.092 1.00 0.00 ? 9 ARG A CD 16 ATOM 8427 N NE . ARG A 1 9 ? 4.612 -8.292 -1.043 1.00 0.00 ? 9 ARG A NE 16 ATOM 8428 C CZ . ARG A 1 9 ? 4.708 -9.357 -1.819 1.00 0.00 ? 9 ARG A CZ 16 ATOM 8429 N NH1 . ARG A 1 9 ? 3.946 -10.392 -1.610 1.00 0.00 ? 9 ARG A NH1 16 ATOM 8430 N NH2 . ARG A 1 9 ? 5.551 -9.423 -2.811 1.00 0.00 ? 9 ARG A NH2 16 ATOM 8431 H H . ARG A 1 9 ? 2.469 -3.669 1.984 1.00 0.00 ? 9 ARG A H 16 ATOM 8432 H HA . ARG A 1 9 ? 4.210 -5.979 2.644 1.00 0.00 ? 9 ARG A HA 16 ATOM 8433 H HB2 . ARG A 1 9 ? 3.368 -6.204 0.268 1.00 0.00 ? 9 ARG A HB2 16 ATOM 8434 H HB3 . ARG A 1 9 ? 4.183 -4.694 -0.129 1.00 0.00 ? 9 ARG A HB3 16 ATOM 8435 H HG2 . ARG A 1 9 ? 6.351 -5.668 0.248 1.00 0.00 ? 9 ARG A HG2 16 ATOM 8436 H HG3 . ARG A 1 9 ? 5.661 -7.095 1.049 1.00 0.00 ? 9 ARG A HG3 16 ATOM 8437 H HD2 . ARG A 1 9 ? 5.102 -6.403 -1.865 1.00 0.00 ? 9 ARG A HD2 16 ATOM 8438 H HD3 . ARG A 1 9 ? 6.490 -7.381 -1.336 1.00 0.00 ? 9 ARG A HD3 16 ATOM 8439 H HE . ARG A 1 9 ? 3.915 -8.334 -0.316 1.00 0.00 ? 9 ARG A HE 16 ATOM 8440 H HH11 . ARG A 1 9 ? 4.032 -11.207 -2.193 1.00 0.00 ? 9 ARG A HH11 16 ATOM 8441 H HH12 . ARG A 1 9 ? 3.292 -10.393 -0.843 1.00 0.00 ? 9 ARG A HH12 16 ATOM 8442 H HH21 . ARG A 1 9 ? 6.123 -8.624 -3.022 1.00 0.00 ? 9 ARG A HH21 16 ATOM 8443 H HH22 . ARG A 1 9 ? 5.585 -10.240 -3.398 1.00 0.00 ? 9 ARG A HH22 16 ATOM 8444 N N . MET A 1 10 ? 6.317 -4.335 2.570 1.00 0.00 ? 10 MET A N 16 ATOM 8445 C CA . MET A 1 10 ? 7.319 -3.410 3.117 1.00 0.00 ? 10 MET A CA 16 ATOM 8446 C C . MET A 1 10 ? 8.731 -3.723 2.603 1.00 0.00 ? 10 MET A C 16 ATOM 8447 O O . MET A 1 10 ? 9.152 -4.881 2.541 1.00 0.00 ? 10 MET A O 16 ATOM 8448 C CB . MET A 1 10 ? 7.277 -3.463 4.657 1.00 0.00 ? 10 MET A CB 16 ATOM 8449 C CG . MET A 1 10 ? 8.121 -2.363 5.317 1.00 0.00 ? 10 MET A CG 16 ATOM 8450 S SD . MET A 1 10 ? 8.214 -2.444 7.127 1.00 0.00 ? 10 MET A SD 16 ATOM 8451 C CE . MET A 1 10 ? 9.373 -3.827 7.323 1.00 0.00 ? 10 MET A CE 16 ATOM 8452 H H . MET A 1 10 ? 6.607 -5.279 2.358 1.00 0.00 ? 10 MET A H 16 ATOM 8453 H HA . MET A 1 10 ? 7.061 -2.401 2.799 1.00 0.00 ? 10 MET A HA 16 ATOM 8454 H HB2 . MET A 1 10 ? 6.248 -3.346 4.996 1.00 0.00 ? 10 MET A HB2 16 ATOM 8455 H HB3 . MET A 1 10 ? 7.633 -4.440 4.986 1.00 0.00 ? 10 MET A HB3 16 ATOM 8456 H HG2 . MET A 1 10 ? 9.136 -2.391 4.926 1.00 0.00 ? 10 MET A HG2 16 ATOM 8457 H HG3 . MET A 1 10 ? 7.684 -1.402 5.052 1.00 0.00 ? 10 MET A HG3 16 ATOM 8458 H HE1 . MET A 1 10 ? 8.940 -4.740 6.912 1.00 0.00 ? 10 MET A HE1 16 ATOM 8459 H HE2 . MET A 1 10 ? 10.305 -3.604 6.802 1.00 0.00 ? 10 MET A HE2 16 ATOM 8460 H HE3 . MET A 1 10 ? 9.583 -3.980 8.382 1.00 0.00 ? 10 MET A HE3 16 ATOM 8461 N N . PHE A 1 11 ? 9.455 -2.667 2.232 1.00 0.00 ? 11 PHE A N 16 ATOM 8462 C CA . PHE A 1 11 ? 10.853 -2.688 1.803 1.00 0.00 ? 11 PHE A CA 16 ATOM 8463 C C . PHE A 1 11 ? 11.882 -2.937 2.922 1.00 0.00 ? 11 PHE A C 16 ATOM 8464 O O . PHE A 1 11 ? 11.602 -2.693 4.098 1.00 0.00 ? 11 PHE A O 16 ATOM 8465 C CB . PHE A 1 11 ? 11.154 -1.398 1.026 1.00 0.00 ? 11 PHE A CB 16 ATOM 8466 C CG . PHE A 1 11 ? 10.475 -1.282 -0.325 1.00 0.00 ? 11 PHE A CG 16 ATOM 8467 C CD1 . PHE A 1 11 ? 9.438 -0.347 -0.510 1.00 0.00 ? 11 PHE A CD1 16 ATOM 8468 C CD2 . PHE A 1 11 ? 10.895 -2.078 -1.408 1.00 0.00 ? 11 PHE A CD2 16 ATOM 8469 C CE1 . PHE A 1 11 ? 8.830 -0.204 -1.767 1.00 0.00 ? 11 PHE A CE1 16 ATOM 8470 C CE2 . PHE A 1 11 ? 10.282 -1.938 -2.667 1.00 0.00 ? 11 PHE A CE2 16 ATOM 8471 C CZ . PHE A 1 11 ? 9.250 -1.000 -2.847 1.00 0.00 ? 11 PHE A CZ 16 ATOM 8472 H H . PHE A 1 11 ? 9.022 -1.754 2.324 1.00 0.00 ? 11 PHE A H 16 ATOM 8473 H HA . PHE A 1 11 ? 10.969 -3.517 1.104 1.00 0.00 ? 11 PHE A HA 16 ATOM 8474 H HB2 . PHE A 1 11 ? 10.851 -0.553 1.645 1.00 0.00 ? 11 PHE A HB2 16 ATOM 8475 H HB3 . PHE A 1 11 ? 12.232 -1.328 0.855 1.00 0.00 ? 11 PHE A HB3 16 ATOM 8476 H HD1 . PHE A 1 11 ? 9.098 0.261 0.316 1.00 0.00 ? 11 PHE A HD1 16 ATOM 8477 H HD2 . PHE A 1 11 ? 11.699 -2.790 -1.279 1.00 0.00 ? 11 PHE A HD2 16 ATOM 8478 H HE1 . PHE A 1 11 ? 8.021 0.502 -1.894 1.00 0.00 ? 11 PHE A HE1 16 ATOM 8479 H HE2 . PHE A 1 11 ? 10.608 -2.550 -3.498 1.00 0.00 ? 11 PHE A HE2 16 ATOM 8480 H HZ . PHE A 1 11 ? 8.774 -0.896 -3.814 1.00 0.00 ? 11 PHE A HZ 16 ATOM 8481 N N . ALA A 1 12 ? 13.102 -3.356 2.567 1.00 0.00 ? 12 ALA A N 16 ATOM 8482 C CA . ALA A 1 12 ? 14.194 -3.599 3.523 1.00 0.00 ? 12 ALA A CA 16 ATOM 8483 C C . ALA A 1 12 ? 14.648 -2.336 4.297 1.00 0.00 ? 12 ALA A C 16 ATOM 8484 O O . ALA A 1 12 ? 15.196 -2.444 5.397 1.00 0.00 ? 12 ALA A O 16 ATOM 8485 C CB . ALA A 1 12 ? 15.363 -4.222 2.748 1.00 0.00 ? 12 ALA A CB 16 ATOM 8486 H H . ALA A 1 12 ? 13.283 -3.538 1.589 1.00 0.00 ? 12 ALA A H 16 ATOM 8487 H HA . ALA A 1 12 ? 13.850 -4.325 4.261 1.00 0.00 ? 12 ALA A HA 16 ATOM 8488 H HB1 . ALA A 1 12 ? 15.037 -5.139 2.255 1.00 0.00 ? 12 ALA A HB1 16 ATOM 8489 H HB2 . ALA A 1 12 ? 15.734 -3.521 1.999 1.00 0.00 ? 12 ALA A HB2 16 ATOM 8490 H HB3 . ALA A 1 12 ? 16.172 -4.465 3.439 1.00 0.00 ? 12 ALA A HB3 16 ATOM 8491 N N . ASN A 1 13 ? 14.393 -1.142 3.748 1.00 0.00 ? 13 ASN A N 16 ATOM 8492 C CA . ASN A 1 13 ? 14.618 0.161 4.396 1.00 0.00 ? 13 ASN A CA 16 ATOM 8493 C C . ASN A 1 13 ? 13.516 0.572 5.408 1.00 0.00 ? 13 ASN A C 16 ATOM 8494 O O . ASN A 1 13 ? 13.647 1.608 6.066 1.00 0.00 ? 13 ASN A O 16 ATOM 8495 C CB . ASN A 1 13 ? 14.822 1.233 3.302 1.00 0.00 ? 13 ASN A CB 16 ATOM 8496 C CG . ASN A 1 13 ? 13.640 1.392 2.353 1.00 0.00 ? 13 ASN A CG 16 ATOM 8497 O OD1 . ASN A 1 13 ? 12.527 0.987 2.667 1.00 0.00 ? 13 ASN A OD1 16 ATOM 8498 N ND2 . ASN A 1 13 ? 13.873 1.990 1.193 1.00 0.00 ? 13 ASN A ND2 16 ATOM 8499 H H . ASN A 1 13 ? 13.947 -1.140 2.842 1.00 0.00 ? 13 ASN A H 16 ATOM 8500 H HA . ASN A 1 13 ? 15.545 0.099 4.969 1.00 0.00 ? 13 ASN A HA 16 ATOM 8501 H HB2 . ASN A 1 13 ? 15.013 2.202 3.770 1.00 0.00 ? 13 ASN A HB2 16 ATOM 8502 H HB3 . ASN A 1 13 ? 15.699 0.959 2.712 1.00 0.00 ? 13 ASN A HB3 16 ATOM 8503 H HD21 . ASN A 1 13 ? 14.811 2.298 0.985 1.00 0.00 ? 13 ASN A HD21 16 ATOM 8504 N N . GLY A 1 14 ? 12.436 -0.212 5.542 1.00 0.00 ? 14 GLY A N 16 ATOM 8505 C CA . GLY A 1 14 ? 11.311 0.055 6.448 1.00 0.00 ? 14 GLY A CA 16 ATOM 8506 C C . GLY A 1 14 ? 10.159 0.885 5.856 1.00 0.00 ? 14 GLY A C 16 ATOM 8507 O O . GLY A 1 14 ? 9.323 1.380 6.616 1.00 0.00 ? 14 GLY A O 16 ATOM 8508 H H . GLY A 1 14 ? 12.384 -1.049 4.973 1.00 0.00 ? 14 GLY A H 16 ATOM 8509 H HA2 . GLY A 1 14 ? 10.892 -0.907 6.752 1.00 0.00 ? 14 GLY A HA2 16 ATOM 8510 H HA3 . GLY A 1 14 ? 11.675 0.569 7.340 1.00 0.00 ? 14 GLY A HA3 16 ATOM 8511 N N . THR A 1 15 ? 10.074 1.035 4.528 1.00 0.00 ? 15 THR A N 16 ATOM 8512 C CA . THR A 1 15 ? 9.010 1.809 3.851 1.00 0.00 ? 15 THR A CA 16 ATOM 8513 C C . THR A 1 15 ? 7.895 0.842 3.443 1.00 0.00 ? 15 THR A C 16 ATOM 8514 O O . THR A 1 15 ? 8.146 -0.175 2.796 1.00 0.00 ? 15 THR A O 16 ATOM 8515 C CB . THR A 1 15 ? 9.576 2.494 2.594 1.00 0.00 ? 15 THR A CB 16 ATOM 8516 O OG1 . THR A 1 15 ? 10.407 3.563 2.987 1.00 0.00 ? 15 THR A OG1 16 ATOM 8517 C CG2 . THR A 1 15 ? 8.521 3.088 1.659 1.00 0.00 ? 15 THR A CG2 16 ATOM 8518 H H . THR A 1 15 ? 10.821 0.662 3.954 1.00 0.00 ? 15 THR A H 16 ATOM 8519 H HA . THR A 1 15 ? 8.605 2.573 4.514 1.00 0.00 ? 15 THR A HA 16 ATOM 8520 H HB . THR A 1 15 ? 10.164 1.775 2.024 1.00 0.00 ? 15 THR A HB 16 ATOM 8521 H HG1 . THR A 1 15 ? 10.883 3.845 2.186 1.00 0.00 ? 15 THR A HG1 16 ATOM 8522 H HG21 . THR A 1 15 ? 7.847 3.739 2.219 1.00 0.00 ? 15 THR A HG21 16 ATOM 8523 H HG22 . THR A 1 15 ? 9.009 3.664 0.873 1.00 0.00 ? 15 THR A HG22 16 ATOM 8524 H HG23 . THR A 1 15 ? 7.946 2.291 1.185 1.00 0.00 ? 15 THR A HG23 16 ATOM 8525 N N . VAL A 1 16 ? 6.649 1.175 3.795 1.00 0.00 ? 16 VAL A N 16 ATOM 8526 C CA . VAL A 1 16 ? 5.454 0.338 3.571 1.00 0.00 ? 16 VAL A CA 16 ATOM 8527 C C . VAL A 1 16 ? 4.781 0.757 2.260 1.00 0.00 ? 16 VAL A C 16 ATOM 8528 O O . VAL A 1 16 ? 4.749 1.938 1.904 1.00 0.00 ? 16 VAL A O 16 ATOM 8529 C CB . VAL A 1 16 ? 4.469 0.498 4.754 1.00 0.00 ? 16 VAL A CB 16 ATOM 8530 C CG1 . VAL A 1 16 ? 3.064 -0.068 4.503 1.00 0.00 ? 16 VAL A CG1 16 ATOM 8531 C CG2 . VAL A 1 16 ? 5.009 -0.208 6.003 1.00 0.00 ? 16 VAL A CG2 16 ATOM 8532 H H . VAL A 1 16 ? 6.517 2.048 4.285 1.00 0.00 ? 16 VAL A H 16 ATOM 8533 H HA . VAL A 1 16 ? 5.737 -0.712 3.497 1.00 0.00 ? 16 VAL A HA 16 ATOM 8534 H HB . VAL A 1 16 ? 4.361 1.560 4.978 1.00 0.00 ? 16 VAL A HB 16 ATOM 8535 H HG11 . VAL A 1 16 ? 2.466 0.044 5.406 1.00 0.00 ? 16 VAL A HG11 16 ATOM 8536 H HG12 . VAL A 1 16 ? 2.565 0.484 3.706 1.00 0.00 ? 16 VAL A HG12 16 ATOM 8537 H HG13 . VAL A 1 16 ? 3.122 -1.124 4.236 1.00 0.00 ? 16 VAL A HG13 16 ATOM 8538 H HG21 . VAL A 1 16 ? 4.325 -0.050 6.839 1.00 0.00 ? 16 VAL A HG21 16 ATOM 8539 H HG22 . VAL A 1 16 ? 5.092 -1.279 5.817 1.00 0.00 ? 16 VAL A HG22 16 ATOM 8540 H HG23 . VAL A 1 16 ? 5.987 0.191 6.271 1.00 0.00 ? 16 VAL A HG23 16 ATOM 8541 N N . TYR A 1 17 ? 4.219 -0.224 1.551 1.00 0.00 ? 17 TYR A N 16 ATOM 8542 C CA . TYR A 1 17 ? 3.468 -0.047 0.306 1.00 0.00 ? 17 TYR A CA 16 ATOM 8543 C C . TYR A 1 17 ? 2.386 -1.141 0.184 1.00 0.00 ? 17 TYR A C 16 ATOM 8544 O O . TYR A 1 17 ? 2.233 -2.003 1.054 1.00 0.00 ? 17 TYR A O 16 ATOM 8545 C CB . TYR A 1 17 ? 4.457 -0.072 -0.878 1.00 0.00 ? 17 TYR A CB 16 ATOM 8546 C CG . TYR A 1 17 ? 5.170 -1.388 -1.158 1.00 0.00 ? 17 TYR A CG 16 ATOM 8547 C CD1 . TYR A 1 17 ? 6.293 -1.763 -0.393 1.00 0.00 ? 17 TYR A CD1 16 ATOM 8548 C CD2 . TYR A 1 17 ? 4.768 -2.190 -2.247 1.00 0.00 ? 17 TYR A CD2 16 ATOM 8549 C CE1 . TYR A 1 17 ? 7.037 -2.907 -0.739 1.00 0.00 ? 17 TYR A CE1 16 ATOM 8550 C CE2 . TYR A 1 17 ? 5.500 -3.343 -2.587 1.00 0.00 ? 17 TYR A CE2 16 ATOM 8551 C CZ . TYR A 1 17 ? 6.654 -3.687 -1.851 1.00 0.00 ? 17 TYR A CZ 16 ATOM 8552 O OH . TYR A 1 17 ? 7.401 -4.761 -2.224 1.00 0.00 ? 17 TYR A OH 16 ATOM 8553 H H . TYR A 1 17 ? 4.259 -1.166 1.927 1.00 0.00 ? 17 TYR A H 16 ATOM 8554 H HA . TYR A 1 17 ? 2.963 0.920 0.314 1.00 0.00 ? 17 TYR A HA 16 ATOM 8555 H HB2 . TYR A 1 17 ? 3.926 0.230 -1.780 1.00 0.00 ? 17 TYR A HB2 16 ATOM 8556 H HB3 . TYR A 1 17 ? 5.218 0.692 -0.710 1.00 0.00 ? 17 TYR A HB3 16 ATOM 8557 H HD1 . TYR A 1 17 ? 6.618 -1.141 0.431 1.00 0.00 ? 17 TYR A HD1 16 ATOM 8558 H HD2 . TYR A 1 17 ? 3.916 -1.905 -2.851 1.00 0.00 ? 17 TYR A HD2 16 ATOM 8559 H HE1 . TYR A 1 17 ? 7.924 -3.165 -0.181 1.00 0.00 ? 17 TYR A HE1 16 ATOM 8560 H HE2 . TYR A 1 17 ? 5.205 -3.952 -3.430 1.00 0.00 ? 17 TYR A HE2 16 ATOM 8561 H HH . TYR A 1 17 ? 8.250 -4.775 -1.768 1.00 0.00 ? 17 TYR A HH 16 ATOM 8562 N N . TYR A 1 18 ? 1.622 -1.102 -0.905 1.00 0.00 ? 18 TYR A N 16 ATOM 8563 C CA . TYR A 1 18 ? 0.551 -2.042 -1.235 1.00 0.00 ? 18 TYR A CA 16 ATOM 8564 C C . TYR A 1 18 ? 0.904 -2.880 -2.467 1.00 0.00 ? 18 TYR A C 16 ATOM 8565 O O . TYR A 1 18 ? 1.443 -2.353 -3.444 1.00 0.00 ? 18 TYR A O 16 ATOM 8566 C CB . TYR A 1 18 ? -0.777 -1.287 -1.399 1.00 0.00 ? 18 TYR A CB 16 ATOM 8567 C CG . TYR A 1 18 ? -1.237 -0.596 -0.125 1.00 0.00 ? 18 TYR A CG 16 ATOM 8568 C CD1 . TYR A 1 18 ? -0.776 0.702 0.173 1.00 0.00 ? 18 TYR A CD1 16 ATOM 8569 C CD2 . TYR A 1 18 ? -2.087 -1.263 0.778 1.00 0.00 ? 18 TYR A CD2 16 ATOM 8570 C CE1 . TYR A 1 18 ? -1.135 1.323 1.385 1.00 0.00 ? 18 TYR A CE1 16 ATOM 8571 C CE2 . TYR A 1 18 ? -2.465 -0.636 1.981 1.00 0.00 ? 18 TYR A CE2 16 ATOM 8572 C CZ . TYR A 1 18 ? -1.978 0.650 2.295 1.00 0.00 ? 18 TYR A CZ 16 ATOM 8573 O OH . TYR A 1 18 ? -2.322 1.230 3.476 1.00 0.00 ? 18 TYR A OH 16 ATOM 8574 H H . TYR A 1 18 ? 1.796 -0.365 -1.579 1.00 0.00 ? 18 TYR A H 16 ATOM 8575 H HA . TYR A 1 18 ? 0.419 -2.738 -0.406 1.00 0.00 ? 18 TYR A HA 16 ATOM 8576 H HB2 . TYR A 1 18 ? -0.673 -0.543 -2.192 1.00 0.00 ? 18 TYR A HB2 16 ATOM 8577 H HB3 . TYR A 1 18 ? -1.548 -2.000 -1.701 1.00 0.00 ? 18 TYR A HB3 16 ATOM 8578 H HD1 . TYR A 1 18 ? -0.126 1.217 -0.525 1.00 0.00 ? 18 TYR A HD1 16 ATOM 8579 H HD2 . TYR A 1 18 ? -2.439 -2.262 0.556 1.00 0.00 ? 18 TYR A HD2 16 ATOM 8580 H HE1 . TYR A 1 18 ? -0.763 2.311 1.618 1.00 0.00 ? 18 TYR A HE1 16 ATOM 8581 H HE2 . TYR A 1 18 ? -3.109 -1.143 2.686 1.00 0.00 ? 18 TYR A HE2 16 ATOM 8582 H HH . TYR A 1 18 ? -1.909 2.095 3.582 1.00 0.00 ? 18 TYR A HH 16 ATOM 8583 N N . PHE A 1 19 ? 0.601 -4.177 -2.437 1.00 0.00 ? 19 PHE A N 16 ATOM 8584 C CA . PHE A 1 19 ? 0.942 -5.128 -3.494 1.00 0.00 ? 19 PHE A CA 16 ATOM 8585 C C . PHE A 1 19 ? -0.193 -6.107 -3.814 1.00 0.00 ? 19 PHE A C 16 ATOM 8586 O O . PHE A 1 19 ? -0.841 -6.623 -2.902 1.00 0.00 ? 19 PHE A O 16 ATOM 8587 C CB . PHE A 1 19 ? 2.257 -5.838 -3.150 1.00 0.00 ? 19 PHE A CB 16 ATOM 8588 C CG . PHE A 1 19 ? 2.629 -6.890 -4.170 1.00 0.00 ? 19 PHE A CG 16 ATOM 8589 C CD1 . PHE A 1 19 ? 3.177 -6.463 -5.389 1.00 0.00 ? 19 PHE A CD1 16 ATOM 8590 C CD2 . PHE A 1 19 ? 2.363 -8.257 -3.959 1.00 0.00 ? 19 PHE A CD2 16 ATOM 8591 C CE1 . PHE A 1 19 ? 3.455 -7.387 -6.403 1.00 0.00 ? 19 PHE A CE1 16 ATOM 8592 C CE2 . PHE A 1 19 ? 2.675 -9.191 -4.966 1.00 0.00 ? 19 PHE A CE2 16 ATOM 8593 C CZ . PHE A 1 19 ? 3.219 -8.757 -6.190 1.00 0.00 ? 19 PHE A CZ 16 ATOM 8594 H H . PHE A 1 19 ? 0.173 -4.556 -1.596 1.00 0.00 ? 19 PHE A H 16 ATOM 8595 H HA . PHE A 1 19 ? 1.130 -4.581 -4.420 1.00 0.00 ? 19 PHE A HA 16 ATOM 8596 H HB2 . PHE A 1 19 ? 3.057 -5.097 -3.097 1.00 0.00 ? 19 PHE A HB2 16 ATOM 8597 H HB3 . PHE A 1 19 ? 2.164 -6.312 -2.170 1.00 0.00 ? 19 PHE A HB3 16 ATOM 8598 H HD1 . PHE A 1 19 ? 3.352 -5.412 -5.561 1.00 0.00 ? 19 PHE A HD1 16 ATOM 8599 H HD2 . PHE A 1 19 ? 1.912 -8.593 -3.035 1.00 0.00 ? 19 PHE A HD2 16 ATOM 8600 H HE1 . PHE A 1 19 ? 3.835 -7.021 -7.346 1.00 0.00 ? 19 PHE A HE1 16 ATOM 8601 H HE2 . PHE A 1 19 ? 2.480 -10.242 -4.805 1.00 0.00 ? 19 PHE A HE2 16 ATOM 8602 H HZ . PHE A 1 19 ? 3.439 -9.474 -6.969 1.00 0.00 ? 19 PHE A HZ 16 ATOM 8603 N N . ASN A 1 20 ? -0.447 -6.369 -5.097 1.00 0.00 ? 20 ASN A N 16 ATOM 8604 C CA . ASN A 1 20 ? -1.493 -7.283 -5.542 1.00 0.00 ? 20 ASN A CA 16 ATOM 8605 C C . ASN A 1 20 ? -0.904 -8.653 -5.922 1.00 0.00 ? 20 ASN A C 16 ATOM 8606 O O . ASN A 1 20 ? -0.174 -8.773 -6.905 1.00 0.00 ? 20 ASN A O 16 ATOM 8607 C CB . ASN A 1 20 ? -2.263 -6.630 -6.696 1.00 0.00 ? 20 ASN A CB 16 ATOM 8608 C CG . ASN A 1 20 ? -3.569 -7.360 -6.937 1.00 0.00 ? 20 ASN A CG 16 ATOM 8609 O OD1 . ASN A 1 20 ? -3.604 -8.567 -7.114 1.00 0.00 ? 20 ASN A OD1 16 ATOM 8610 N ND2 . ASN A 1 20 ? -4.677 -6.660 -6.949 1.00 0.00 ? 20 ASN A ND2 16 ATOM 8611 H H . ASN A 1 20 ? 0.123 -5.920 -5.806 1.00 0.00 ? 20 ASN A H 16 ATOM 8612 H HA . ASN A 1 20 ? -2.197 -7.431 -4.729 1.00 0.00 ? 20 ASN A HA 16 ATOM 8613 H HB2 . ASN A 1 20 ? -2.476 -5.592 -6.441 1.00 0.00 ? 20 ASN A HB2 16 ATOM 8614 H HB3 . ASN A 1 20 ? -1.665 -6.652 -7.606 1.00 0.00 ? 20 ASN A HB3 16 ATOM 8615 H HD21 . ASN A 1 20 ? -4.647 -5.676 -6.723 1.00 0.00 ? 20 ASN A HD21 16 ATOM 8616 H HD22 . ASN A 1 20 ? -5.563 -7.152 -6.981 1.00 0.00 ? 20 ASN A HD22 16 ATOM 8617 N N . HIS A 1 21 ? -1.247 -9.705 -5.170 1.00 0.00 ? 21 HIS A N 16 ATOM 8618 C CA . HIS A 1 21 ? -0.710 -11.058 -5.392 1.00 0.00 ? 21 HIS A CA 16 ATOM 8619 C C . HIS A 1 21 ? -1.340 -11.785 -6.599 1.00 0.00 ? 21 HIS A C 16 ATOM 8620 O O . HIS A 1 21 ? -0.745 -12.725 -7.132 1.00 0.00 ? 21 HIS A O 16 ATOM 8621 C CB . HIS A 1 21 ? -0.810 -11.867 -4.085 1.00 0.00 ? 21 HIS A CB 16 ATOM 8622 C CG . HIS A 1 21 ? -2.057 -12.709 -3.917 1.00 0.00 ? 21 HIS A CG 16 ATOM 8623 N ND1 . HIS A 1 21 ? -2.165 -14.061 -4.258 1.00 0.00 ? 21 HIS A ND1 16 ATOM 8624 C CD2 . HIS A 1 21 ? -3.236 -12.305 -3.359 1.00 0.00 ? 21 HIS A CD2 16 ATOM 8625 C CE1 . HIS A 1 21 ? -3.403 -14.439 -3.895 1.00 0.00 ? 21 HIS A CE1 16 ATOM 8626 N NE2 . HIS A 1 21 ? -4.067 -13.404 -3.352 1.00 0.00 ? 21 HIS A NE2 16 ATOM 8627 H H . HIS A 1 21 ? -1.897 -9.556 -4.405 1.00 0.00 ? 21 HIS A H 16 ATOM 8628 H HA . HIS A 1 21 ? 0.351 -10.957 -5.625 1.00 0.00 ? 21 HIS A HA 16 ATOM 8629 H HB2 . HIS A 1 21 ? 0.045 -12.546 -4.059 1.00 0.00 ? 21 HIS A HB2 16 ATOM 8630 H HB3 . HIS A 1 21 ? -0.719 -11.194 -3.227 1.00 0.00 ? 21 HIS A HB3 16 ATOM 8631 H HD2 . HIS A 1 21 ? -3.468 -11.318 -2.985 1.00 0.00 ? 21 HIS A HD2 16 ATOM 8632 H HE1 . HIS A 1 21 ? -3.811 -15.437 -4.020 1.00 0.00 ? 21 HIS A HE1 16 ATOM 8633 H HE2 . HIS A 1 21 ? -5.016 -13.444 -2.991 1.00 0.00 ? 21 HIS A HE2 16 ATOM 8634 N N . ILE A 1 22 ? -2.515 -11.336 -7.057 1.00 0.00 ? 22 ILE A N 16 ATOM 8635 C CA . ILE A 1 22 ? -3.256 -11.890 -8.202 1.00 0.00 ? 22 ILE A CA 16 ATOM 8636 C C . ILE A 1 22 ? -2.746 -11.300 -9.528 1.00 0.00 ? 22 ILE A C 16 ATOM 8637 O O . ILE A 1 22 ? -2.611 -12.019 -10.522 1.00 0.00 ? 22 ILE A O 16 ATOM 8638 C CB . ILE A 1 22 ? -4.766 -11.590 -8.016 1.00 0.00 ? 22 ILE A CB 16 ATOM 8639 C CG1 . ILE A 1 22 ? -5.329 -12.132 -6.678 1.00 0.00 ? 22 ILE A CG1 16 ATOM 8640 C CG2 . ILE A 1 22 ? -5.605 -12.094 -9.203 1.00 0.00 ? 22 ILE A CG2 16 ATOM 8641 C CD1 . ILE A 1 22 ? -5.449 -13.655 -6.578 1.00 0.00 ? 22 ILE A CD1 16 ATOM 8642 H H . ILE A 1 22 ? -2.920 -10.531 -6.597 1.00 0.00 ? 22 ILE A H 16 ATOM 8643 H HA . ILE A 1 22 ? -3.115 -12.970 -8.238 1.00 0.00 ? 22 ILE A HA 16 ATOM 8644 H HB . ILE A 1 22 ? -4.889 -10.506 -7.999 1.00 0.00 ? 22 ILE A HB 16 ATOM 8645 H HG12 . ILE A 1 22 ? -4.697 -11.796 -5.854 1.00 0.00 ? 22 ILE A HG12 16 ATOM 8646 H HG13 . ILE A 1 22 ? -6.321 -11.705 -6.514 1.00 0.00 ? 22 ILE A HG13 16 ATOM 8647 H HG21 . ILE A 1 22 ? -5.403 -13.149 -9.389 1.00 0.00 ? 22 ILE A HG21 16 ATOM 8648 H HG22 . ILE A 1 22 ? -6.665 -11.959 -8.988 1.00 0.00 ? 22 ILE A HG22 16 ATOM 8649 H HG23 . ILE A 1 22 ? -5.365 -11.524 -10.099 1.00 0.00 ? 22 ILE A HG23 16 ATOM 8650 H HD11 . ILE A 1 22 ? -4.471 -14.118 -6.711 1.00 0.00 ? 22 ILE A HD11 16 ATOM 8651 H HD12 . ILE A 1 22 ? -5.834 -13.909 -5.591 1.00 0.00 ? 22 ILE A HD12 16 ATOM 8652 H HD13 . ILE A 1 22 ? -6.143 -14.034 -7.325 1.00 0.00 ? 22 ILE A HD13 16 ATOM 8653 N N . THR A 1 23 ? -2.447 -9.997 -9.540 1.00 0.00 ? 23 THR A N 16 ATOM 8654 C CA . THR A 1 23 ? -2.120 -9.197 -10.740 1.00 0.00 ? 23 THR A CA 16 ATOM 8655 C C . THR A 1 23 ? -0.673 -8.707 -10.859 1.00 0.00 ? 23 THR A C 16 ATOM 8656 O O . THR A 1 23 ? -0.281 -8.190 -11.907 1.00 0.00 ? 23 THR A O 16 ATOM 8657 C CB . THR A 1 23 ? -3.106 -8.029 -10.916 1.00 0.00 ? 23 THR A CB 16 ATOM 8658 O OG1 . THR A 1 23 ? -2.752 -6.981 -10.046 1.00 0.00 ? 23 THR A OG1 16 ATOM 8659 C CG2 . THR A 1 23 ? -4.568 -8.361 -10.620 1.00 0.00 ? 23 THR A CG2 16 ATOM 8660 H H . THR A 1 23 ? -2.621 -9.485 -8.682 1.00 0.00 ? 23 THR A H 16 ATOM 8661 H HA . THR A 1 23 ? -2.270 -9.835 -11.609 1.00 0.00 ? 23 THR A HA 16 ATOM 8662 H HB . THR A 1 23 ? -3.036 -7.666 -11.943 1.00 0.00 ? 23 THR A HB 16 ATOM 8663 H HG1 . THR A 1 23 ? -3.580 -6.544 -9.812 1.00 0.00 ? 23 THR A HG1 16 ATOM 8664 H HG21 . THR A 1 23 ? -4.709 -8.571 -9.560 1.00 0.00 ? 23 THR A HG21 16 ATOM 8665 H HG22 . THR A 1 23 ? -5.194 -7.516 -10.901 1.00 0.00 ? 23 THR A HG22 16 ATOM 8666 H HG23 . THR A 1 23 ? -4.867 -9.230 -11.205 1.00 0.00 ? 23 THR A HG23 16 ATOM 8667 N N . ASN A 1 24 ? 0.126 -8.867 -9.799 1.00 0.00 ? 24 ASN A N 16 ATOM 8668 C CA . ASN A 1 24 ? 1.487 -8.332 -9.635 1.00 0.00 ? 24 ASN A CA 16 ATOM 8669 C C . ASN A 1 24 ? 1.597 -6.788 -9.677 1.00 0.00 ? 24 ASN A C 16 ATOM 8670 O O . ASN A 1 24 ? 2.705 -6.251 -9.769 1.00 0.00 ? 24 ASN A O 16 ATOM 8671 C CB . ASN A 1 24 ? 2.481 -9.067 -10.558 1.00 0.00 ? 24 ASN A CB 16 ATOM 8672 C CG . ASN A 1 24 ? 2.502 -10.568 -10.320 1.00 0.00 ? 24 ASN A CG 16 ATOM 8673 O OD1 . ASN A 1 24 ? 2.839 -11.049 -9.246 1.00 0.00 ? 24 ASN A OD1 16 ATOM 8674 N ND2 . ASN A 1 24 ? 2.189 -11.362 -11.320 1.00 0.00 ? 24 ASN A ND2 16 ATOM 8675 H H . ASN A 1 24 ? -0.285 -9.283 -8.973 1.00 0.00 ? 24 ASN A H 16 ATOM 8676 H HA . ASN A 1 24 ? 1.778 -8.584 -8.616 1.00 0.00 ? 24 ASN A HA 16 ATOM 8677 H HB2 . ASN A 1 24 ? 2.237 -8.859 -11.602 1.00 0.00 ? 24 ASN A HB2 16 ATOM 8678 H HB3 . ASN A 1 24 ? 3.490 -8.697 -10.364 1.00 0.00 ? 24 ASN A HB3 16 ATOM 8679 H HD21 . ASN A 1 24 ? 1.922 -10.970 -12.213 1.00 0.00 ? 24 ASN A HD21 16 ATOM 8680 H HD22 . ASN A 1 24 ? 2.215 -12.361 -11.166 1.00 0.00 ? 24 ASN A HD22 16 ATOM 8681 N N . ALA A 1 25 ? 0.476 -6.059 -9.594 1.00 0.00 ? 25 ALA A N 16 ATOM 8682 C CA . ALA A 1 25 ? 0.467 -4.599 -9.456 1.00 0.00 ? 25 ALA A CA 16 ATOM 8683 C C . ALA A 1 25 ? 1.004 -4.132 -8.083 1.00 0.00 ? 25 ALA A C 16 ATOM 8684 O O . ALA A 1 25 ? 0.951 -4.870 -7.095 1.00 0.00 ? 25 ALA A O 16 ATOM 8685 C CB . ALA A 1 25 ? -0.960 -4.094 -9.705 1.00 0.00 ? 25 ALA A CB 16 ATOM 8686 H H . ALA A 1 25 ? -0.413 -6.541 -9.554 1.00 0.00 ? 25 ALA A H 16 ATOM 8687 H HA . ALA A 1 25 ? 1.112 -4.175 -10.226 1.00 0.00 ? 25 ALA A HA 16 ATOM 8688 H HB1 . ALA A 1 25 ? -1.633 -4.478 -8.937 1.00 0.00 ? 25 ALA A HB1 16 ATOM 8689 H HB2 . ALA A 1 25 ? -0.976 -3.004 -9.678 1.00 0.00 ? 25 ALA A HB2 16 ATOM 8690 H HB3 . ALA A 1 25 ? -1.305 -4.426 -10.685 1.00 0.00 ? 25 ALA A HB3 16 ATOM 8691 N N . SER A 1 26 ? 1.487 -2.889 -8.004 1.00 0.00 ? 26 SER A N 16 ATOM 8692 C CA . SER A 1 26 ? 1.978 -2.253 -6.768 1.00 0.00 ? 26 SER A CA 16 ATOM 8693 C C . SER A 1 26 ? 1.599 -0.765 -6.688 1.00 0.00 ? 26 SER A C 16 ATOM 8694 O O . SER A 1 26 ? 1.481 -0.087 -7.715 1.00 0.00 ? 26 SER A O 16 ATOM 8695 C CB . SER A 1 26 ? 3.495 -2.431 -6.608 1.00 0.00 ? 26 SER A CB 16 ATOM 8696 O OG . SER A 1 26 ? 4.213 -1.849 -7.685 1.00 0.00 ? 26 SER A OG 16 ATOM 8697 H H . SER A 1 26 ? 1.511 -2.329 -8.845 1.00 0.00 ? 26 SER A H 16 ATOM 8698 H HA . SER A 1 26 ? 1.520 -2.764 -5.924 1.00 0.00 ? 26 SER A HA 16 ATOM 8699 H HB2 . SER A 1 26 ? 3.810 -1.970 -5.671 1.00 0.00 ? 26 SER A HB2 16 ATOM 8700 H HB3 . SER A 1 26 ? 3.726 -3.494 -6.556 1.00 0.00 ? 26 SER A HB3 16 ATOM 8701 H HG . SER A 1 26 ? 5.155 -2.033 -7.552 1.00 0.00 ? 26 SER A HG 16 ATOM 8702 N N . GLN A 1 27 ? 1.415 -0.246 -5.468 1.00 0.00 ? 27 GLN A N 16 ATOM 8703 C CA . GLN A 1 27 ? 1.115 1.167 -5.184 1.00 0.00 ? 27 GLN A CA 16 ATOM 8704 C C . GLN A 1 27 ? 1.712 1.659 -3.860 1.00 0.00 ? 27 GLN A C 16 ATOM 8705 O O . GLN A 1 27 ? 1.663 0.961 -2.848 1.00 0.00 ? 27 GLN A O 16 ATOM 8706 C CB . GLN A 1 27 ? -0.405 1.416 -5.116 1.00 0.00 ? 27 GLN A CB 16 ATOM 8707 C CG . GLN A 1 27 ? -1.102 1.472 -6.480 1.00 0.00 ? 27 GLN A CG 16 ATOM 8708 C CD . GLN A 1 27 ? -2.584 1.862 -6.428 1.00 0.00 ? 27 GLN A CD 16 ATOM 8709 O OE1 . GLN A 1 27 ? -3.304 1.743 -7.413 1.00 0.00 ? 27 GLN A OE1 16 ATOM 8710 N NE2 . GLN A 1 27 ? -3.101 2.422 -5.351 1.00 0.00 ? 27 GLN A NE2 16 ATOM 8711 H H . GLN A 1 27 ? 1.507 -0.868 -4.670 1.00 0.00 ? 27 GLN A H 16 ATOM 8712 H HA . GLN A 1 27 ? 1.533 1.786 -5.978 1.00 0.00 ? 27 GLN A HA 16 ATOM 8713 H HB2 . GLN A 1 27 ? -0.877 0.655 -4.491 1.00 0.00 ? 27 GLN A HB2 16 ATOM 8714 H HB3 . GLN A 1 27 ? -0.552 2.387 -4.645 1.00 0.00 ? 27 GLN A HB3 16 ATOM 8715 H HG2 . GLN A 1 27 ? -0.585 2.215 -7.086 1.00 0.00 ? 27 GLN A HG2 16 ATOM 8716 H HG3 . GLN A 1 27 ? -1.023 0.499 -6.962 1.00 0.00 ? 27 GLN A HG3 16 ATOM 8717 H HE21 . GLN A 1 27 ? -2.556 2.523 -4.497 1.00 0.00 ? 27 GLN A HE21 16 ATOM 8718 H HE22 . GLN A 1 27 ? -4.057 2.736 -5.402 1.00 0.00 ? 27 GLN A HE22 16 ATOM 8719 N N . PHE A 1 28 ? 2.210 2.898 -3.844 1.00 0.00 ? 28 PHE A N 16 ATOM 8720 C CA . PHE A 1 28 ? 2.606 3.591 -2.610 1.00 0.00 ? 28 PHE A CA 16 ATOM 8721 C C . PHE A 1 28 ? 1.443 4.158 -1.774 1.00 0.00 ? 28 PHE A C 16 ATOM 8722 O O . PHE A 1 28 ? 1.587 4.424 -0.580 1.00 0.00 ? 28 PHE A O 16 ATOM 8723 C CB . PHE A 1 28 ? 3.715 4.617 -2.882 1.00 0.00 ? 28 PHE A CB 16 ATOM 8724 C CG . PHE A 1 28 ? 5.091 4.008 -3.082 1.00 0.00 ? 28 PHE A CG 16 ATOM 8725 C CD1 . PHE A 1 28 ? 5.907 3.725 -1.968 1.00 0.00 ? 28 PHE A CD1 16 ATOM 8726 C CD2 . PHE A 1 28 ? 5.565 3.734 -4.380 1.00 0.00 ? 28 PHE A CD2 16 ATOM 8727 C CE1 . PHE A 1 28 ? 7.193 3.186 -2.154 1.00 0.00 ? 28 PHE A CE1 16 ATOM 8728 C CE2 . PHE A 1 28 ? 6.848 3.187 -4.564 1.00 0.00 ? 28 PHE A CE2 16 ATOM 8729 C CZ . PHE A 1 28 ? 7.664 2.917 -3.451 1.00 0.00 ? 28 PHE A CZ 16 ATOM 8730 H H . PHE A 1 28 ? 2.251 3.415 -4.711 1.00 0.00 ? 28 PHE A H 16 ATOM 8731 H HA . PHE A 1 28 ? 3.058 2.844 -1.955 1.00 0.00 ? 28 PHE A HA 16 ATOM 8732 H HB2 . PHE A 1 28 ? 3.446 5.216 -3.756 1.00 0.00 ? 28 PHE A HB2 16 ATOM 8733 H HB3 . PHE A 1 28 ? 3.779 5.293 -2.025 1.00 0.00 ? 28 PHE A HB3 16 ATOM 8734 H HD1 . PHE A 1 28 ? 5.550 3.930 -0.967 1.00 0.00 ? 28 PHE A HD1 16 ATOM 8735 H HD2 . PHE A 1 28 ? 4.943 3.947 -5.239 1.00 0.00 ? 28 PHE A HD2 16 ATOM 8736 H HE1 . PHE A 1 28 ? 7.821 2.977 -1.298 1.00 0.00 ? 28 PHE A HE1 16 ATOM 8737 H HE2 . PHE A 1 28 ? 7.208 2.979 -5.563 1.00 0.00 ? 28 PHE A HE2 16 ATOM 8738 H HZ . PHE A 1 28 ? 8.653 2.501 -3.595 1.00 0.00 ? 28 PHE A HZ 16 ATOM 8739 N N . GLU A 1 29 ? 0.278 4.330 -2.411 1.00 0.00 ? 29 GLU A N 16 ATOM 8740 C CA . GLU A 1 29 ? -0.977 4.814 -1.817 1.00 0.00 ? 29 GLU A CA 16 ATOM 8741 C C . GLU A 1 29 ? -2.032 3.694 -1.728 1.00 0.00 ? 29 GLU A C 16 ATOM 8742 O O . GLU A 1 29 ? -2.113 2.836 -2.616 1.00 0.00 ? 29 GLU A O 16 ATOM 8743 C CB . GLU A 1 29 ? -1.467 6.026 -2.631 1.00 0.00 ? 29 GLU A CB 16 ATOM 8744 C CG . GLU A 1 29 ? -2.743 6.674 -2.067 1.00 0.00 ? 29 GLU A CG 16 ATOM 8745 C CD . GLU A 1 29 ? -3.130 8.000 -2.760 1.00 0.00 ? 29 GLU A CD 16 ATOM 8746 O OE1 . GLU A 1 29 ? -4.155 8.603 -2.357 1.00 0.00 ? 29 GLU A OE1 16 ATOM 8747 O OE2 . GLU A 1 29 ? -2.435 8.465 -3.698 1.00 0.00 ? 29 GLU A OE2 16 ATOM 8748 H H . GLU A 1 29 ? 0.241 4.054 -3.383 1.00 0.00 ? 29 GLU A H 16 ATOM 8749 H HA . GLU A 1 29 ? -0.782 5.161 -0.801 1.00 0.00 ? 29 GLU A HA 16 ATOM 8750 H HB2 . GLU A 1 29 ? -0.668 6.771 -2.633 1.00 0.00 ? 29 GLU A HB2 16 ATOM 8751 H HB3 . GLU A 1 29 ? -1.652 5.712 -3.660 1.00 0.00 ? 29 GLU A HB3 16 ATOM 8752 H HG2 . GLU A 1 29 ? -3.571 5.970 -2.171 1.00 0.00 ? 29 GLU A HG2 16 ATOM 8753 H HG3 . GLU A 1 29 ? -2.591 6.863 -1.002 1.00 0.00 ? 29 GLU A HG3 16 ATOM 8754 N N . ARG A 1 30 ? -2.859 3.710 -0.672 1.00 0.00 ? 30 ARG A N 16 ATOM 8755 C CA . ARG A 1 30 ? -3.878 2.684 -0.387 1.00 0.00 ? 30 ARG A CA 16 ATOM 8756 C C . ARG A 1 30 ? -4.898 2.540 -1.543 1.00 0.00 ? 30 ARG A C 16 ATOM 8757 O O . ARG A 1 30 ? -5.530 3.535 -1.910 1.00 0.00 ? 30 ARG A O 16 ATOM 8758 C CB . ARG A 1 30 ? -4.517 3.001 0.982 1.00 0.00 ? 30 ARG A CB 16 ATOM 8759 C CG . ARG A 1 30 ? -5.597 1.999 1.422 1.00 0.00 ? 30 ARG A CG 16 ATOM 8760 C CD . ARG A 1 30 ? -7.013 2.478 1.063 1.00 0.00 ? 30 ARG A CD 16 ATOM 8761 N NE . ARG A 1 30 ? -7.872 1.373 0.613 1.00 0.00 ? 30 ARG A NE 16 ATOM 8762 C CZ . ARG A 1 30 ? -8.524 0.488 1.339 1.00 0.00 ? 30 ARG A CZ 16 ATOM 8763 N NH1 . ARG A 1 30 ? -8.436 0.423 2.636 1.00 0.00 ? 30 ARG A NH1 16 ATOM 8764 N NH2 . ARG A 1 30 ? -9.286 -0.385 0.755 1.00 0.00 ? 30 ARG A NH2 16 ATOM 8765 H H . ARG A 1 30 ? -2.755 4.464 -0.007 1.00 0.00 ? 30 ARG A H 16 ATOM 8766 H HA . ARG A 1 30 ? -3.351 1.739 -0.277 1.00 0.00 ? 30 ARG A HA 16 ATOM 8767 H HB2 . ARG A 1 30 ? -3.724 2.986 1.730 1.00 0.00 ? 30 ARG A HB2 16 ATOM 8768 H HB3 . ARG A 1 30 ? -4.932 4.010 0.974 1.00 0.00 ? 30 ARG A HB3 16 ATOM 8769 H HG2 . ARG A 1 30 ? -5.395 1.027 0.966 1.00 0.00 ? 30 ARG A HG2 16 ATOM 8770 H HG3 . ARG A 1 30 ? -5.547 1.882 2.507 1.00 0.00 ? 30 ARG A HG3 16 ATOM 8771 H HD2 . ARG A 1 30 ? -7.456 2.985 1.922 1.00 0.00 ? 30 ARG A HD2 16 ATOM 8772 H HD3 . ARG A 1 30 ? -6.956 3.204 0.253 1.00 0.00 ? 30 ARG A HD3 16 ATOM 8773 H HE . ARG A 1 30 ? -7.956 1.254 -0.391 1.00 0.00 ? 30 ARG A HE 16 ATOM 8774 H HH11 . ARG A 1 30 ? -7.857 1.081 3.129 1.00 0.00 ? 30 ARG A HH11 16 ATOM 8775 H HH12 . ARG A 1 30 ? -8.922 -0.311 3.128 1.00 0.00 ? 30 ARG A HH12 16 ATOM 8776 H HH21 . ARG A 1 30 ? -9.416 -0.347 -0.243 1.00 0.00 ? 30 ARG A HH21 16 ATOM 8777 H HH22 . ARG A 1 30 ? -9.743 -1.089 1.322 1.00 0.00 ? 30 ARG A HH22 16 ATOM 8778 N N . PRO A 1 31 ? -5.073 1.342 -2.140 1.00 0.00 ? 31 PRO A N 16 ATOM 8779 C CA . PRO A 1 31 ? -5.856 1.155 -3.367 1.00 0.00 ? 31 PRO A CA 16 ATOM 8780 C C . PRO A 1 31 ? -7.366 1.251 -3.158 1.00 0.00 ? 31 PRO A C 16 ATOM 8781 O O . PRO A 1 31 ? -7.903 0.826 -2.134 1.00 0.00 ? 31 PRO A O 16 ATOM 8782 C CB . PRO A 1 31 ? -5.435 -0.195 -3.932 1.00 0.00 ? 31 PRO A CB 16 ATOM 8783 C CG . PRO A 1 31 ? -4.993 -0.971 -2.694 1.00 0.00 ? 31 PRO A CG 16 ATOM 8784 C CD . PRO A 1 31 ? -4.377 0.109 -1.811 1.00 0.00 ? 31 PRO A CD 16 ATOM 8785 H HA . PRO A 1 31 ? -5.572 1.926 -4.083 1.00 0.00 ? 31 PRO A HA 16 ATOM 8786 H HB2 . PRO A 1 31 ? -6.238 -0.702 -4.471 1.00 0.00 ? 31 PRO A HB2 16 ATOM 8787 H HB3 . PRO A 1 31 ? -4.590 -0.007 -4.586 1.00 0.00 ? 31 PRO A HB3 16 ATOM 8788 H HG2 . PRO A 1 31 ? -5.866 -1.392 -2.198 1.00 0.00 ? 31 PRO A HG2 16 ATOM 8789 H HG3 . PRO A 1 31 ? -4.267 -1.745 -2.931 1.00 0.00 ? 31 PRO A HG3 16 ATOM 8790 H HD2 . PRO A 1 31 ? -4.496 -0.152 -0.760 1.00 0.00 ? 31 PRO A HD2 16 ATOM 8791 H HD3 . PRO A 1 31 ? -3.322 0.222 -2.057 1.00 0.00 ? 31 PRO A HD3 16 ATOM 8792 N N . SER A 1 32 ? -8.058 1.813 -4.155 1.00 0.00 ? 32 SER A N 16 ATOM 8793 C CA . SER A 1 32 ? -9.476 2.208 -4.086 1.00 0.00 ? 32 SER A CA 16 ATOM 8794 C C . SER A 1 32 ? -9.755 3.231 -2.959 1.00 0.00 ? 32 SER A C 16 ATOM 8795 O O . SER A 1 32 ? -10.912 3.443 -2.576 1.00 0.00 ? 32 SER A O 16 ATOM 8796 C CB . SER A 1 32 ? -10.395 0.977 -4.036 1.00 0.00 ? 32 SER A CB 16 ATOM 8797 O OG . SER A 1 32 ? -11.750 1.338 -4.243 1.00 0.00 ? 32 SER A OG 16 ATOM 8798 H H . SER A 1 32 ? -7.548 2.079 -4.987 1.00 0.00 ? 32 SER A H 16 ATOM 8799 H HA . SER A 1 32 ? -9.697 2.727 -5.020 1.00 0.00 ? 32 SER A HA 16 ATOM 8800 H HB2 . SER A 1 32 ? -10.093 0.271 -4.812 1.00 0.00 ? 32 SER A HB2 16 ATOM 8801 H HB3 . SER A 1 32 ? -10.298 0.494 -3.063 1.00 0.00 ? 32 SER A HB3 16 ATOM 8802 H HG . SER A 1 32 ? -11.964 2.010 -3.573 1.00 0.00 ? 32 SER A HG 16 ATOM 8803 N N . GLY A 1 33 ? -8.697 3.859 -2.421 1.00 0.00 ? 33 GLY A N 16 ATOM 8804 C CA . GLY A 1 33 ? -8.755 4.903 -1.380 1.00 0.00 ? 33 GLY A CA 16 ATOM 8805 C C . GLY A 1 33 ? -9.448 6.192 -1.830 1.00 0.00 ? 33 GLY A C 16 ATOM 8806 O O . GLY A 1 33 ? -10.274 6.719 -1.050 1.00 0.00 ? 33 GLY A O 16 ATOM 8807 O OXT . GLY A 1 33 ? -9.147 6.686 -2.941 1.00 0.00 ? 33 GLY A OXT 16 ATOM 8808 H H . GLY A 1 33 ? -7.780 3.584 -2.768 1.00 0.00 ? 33 GLY A H 16 ATOM 8809 H HA2 . GLY A 1 33 ? -9.283 4.515 -0.510 1.00 0.00 ? 33 GLY A HA2 16 ATOM 8810 H HA3 . GLY A 1 33 ? -7.743 5.163 -1.075 1.00 0.00 ? 33 GLY A HA3 16 HETATM 8811 C C1 . GAL B 2 . ? 12.890 2.031 0.126 1.00 0.00 ? 101 GAL A C1 16 HETATM 8812 C C2 . GAL B 2 . ? 12.545 3.468 -0.318 1.00 0.00 ? 101 GAL A C2 16 HETATM 8813 C C3 . GAL B 2 . ? 11.530 3.384 -1.471 1.00 0.00 ? 101 GAL A C3 16 HETATM 8814 C C4 . GAL B 2 . ? 12.088 2.551 -2.640 1.00 0.00 ? 101 GAL A C4 16 HETATM 8815 C C5 . GAL B 2 . ? 12.571 1.165 -2.164 1.00 0.00 ? 101 GAL A C5 16 HETATM 8816 C C6 . GAL B 2 . ? 13.274 0.341 -3.253 1.00 0.00 ? 101 GAL A C6 16 HETATM 8817 O O2 . GAL B 2 . ? 11.972 4.217 0.790 1.00 0.00 ? 101 GAL A O2 16 HETATM 8818 O O3 . GAL B 2 . ? 11.217 4.718 -1.954 1.00 0.00 ? 101 GAL A O3 16 HETATM 8819 O O4 . GAL B 2 . ? 13.195 3.276 -3.229 1.00 0.00 ? 101 GAL A O4 16 HETATM 8820 O O5 . GAL B 2 . ? 13.484 1.304 -0.997 1.00 0.00 ? 101 GAL A O5 16 HETATM 8821 O O6 . GAL B 2 . ? 13.815 -0.848 -2.644 1.00 0.00 ? 101 GAL A O6 16 HETATM 8822 H H1 . GAL B 2 . ? 11.983 1.515 0.438 1.00 0.00 ? 101 GAL A H1 16 HETATM 8823 H H2 . GAL B 2 . ? 13.449 3.978 -0.652 1.00 0.00 ? 101 GAL A H2 16 HETATM 8824 H H3 . GAL B 2 . ? 10.611 2.920 -1.109 1.00 0.00 ? 101 GAL A H3 16 HETATM 8825 H H4 . GAL B 2 . ? 11.313 2.423 -3.398 1.00 0.00 ? 101 GAL A H4 16 HETATM 8826 H H5 . GAL B 2 . ? 11.697 0.609 -1.836 1.00 0.00 ? 101 GAL A H5 16 HETATM 8827 H H61 . GAL B 2 . ? 12.567 0.062 -4.037 1.00 0.00 ? 101 GAL A H61 16 HETATM 8828 H H62 . GAL B 2 . ? 14.094 0.907 -3.696 1.00 0.00 ? 101 GAL A H62 16 HETATM 8829 H HO2 . GAL B 2 . ? 12.711 4.509 1.347 1.00 0.00 ? 101 GAL A HO2 16 HETATM 8830 H HO3 . GAL B 2 . ? 10.971 5.255 -1.183 1.00 0.00 ? 101 GAL A HO3 16 HETATM 8831 H HO4 . GAL B 2 . ? 12.887 4.185 -3.380 1.00 0.00 ? 101 GAL A HO4 16 HETATM 8832 H HO6 . GAL B 2 . ? 14.221 -0.561 -1.813 1.00 0.00 ? 101 GAL A HO6 16 ATOM 8833 N N . LYS A 1 1 ? -10.192 -5.131 4.557 1.00 0.00 ? 1 LYS A N 17 ATOM 8834 C CA . LYS A 1 1 ? -9.059 -4.166 4.518 1.00 0.00 ? 1 LYS A CA 17 ATOM 8835 C C . LYS A 1 1 ? -8.899 -3.506 3.143 1.00 0.00 ? 1 LYS A C 17 ATOM 8836 O O . LYS A 1 1 ? -9.122 -2.301 2.997 1.00 0.00 ? 1 LYS A O 17 ATOM 8837 C CB . LYS A 1 1 ? -7.704 -4.787 4.939 1.00 0.00 ? 1 LYS A CB 17 ATOM 8838 C CG . LYS A 1 1 ? -7.648 -5.439 6.331 1.00 0.00 ? 1 LYS A CG 17 ATOM 8839 C CD . LYS A 1 1 ? -6.200 -5.750 6.762 1.00 0.00 ? 1 LYS A CD 17 ATOM 8840 C CE . LYS A 1 1 ? -5.415 -6.558 5.713 1.00 0.00 ? 1 LYS A CE 17 ATOM 8841 N NZ . LYS A 1 1 ? -4.011 -6.796 6.127 1.00 0.00 ? 1 LYS A NZ 17 ATOM 8842 H H1 . LYS A 1 1 ? -11.053 -4.677 4.285 1.00 0.00 ? 1 LYS A H1 17 ATOM 8843 H H2 . LYS A 1 1 ? -10.317 -5.489 5.493 1.00 0.00 ? 1 LYS A H2 17 ATOM 8844 H H3 . LYS A 1 1 ? -10.035 -5.912 3.938 1.00 0.00 ? 1 LYS A H3 17 ATOM 8845 H HA . LYS A 1 1 ? -9.281 -3.359 5.217 1.00 0.00 ? 1 LYS A HA 17 ATOM 8846 H HB2 . LYS A 1 1 ? -7.419 -5.543 4.206 1.00 0.00 ? 1 LYS A HB2 17 ATOM 8847 H HB3 . LYS A 1 1 ? -6.954 -3.993 4.911 1.00 0.00 ? 1 LYS A HB3 17 ATOM 8848 H HG2 . LYS A 1 1 ? -8.089 -4.762 7.065 1.00 0.00 ? 1 LYS A HG2 17 ATOM 8849 H HG3 . LYS A 1 1 ? -8.223 -6.365 6.320 1.00 0.00 ? 1 LYS A HG3 17 ATOM 8850 H HD2 . LYS A 1 1 ? -5.681 -4.806 6.942 1.00 0.00 ? 1 LYS A HD2 17 ATOM 8851 H HD3 . LYS A 1 1 ? -6.227 -6.307 7.700 1.00 0.00 ? 1 LYS A HD3 17 ATOM 8852 H HE2 . LYS A 1 1 ? -5.919 -7.513 5.537 1.00 0.00 ? 1 LYS A HE2 17 ATOM 8853 H HE3 . LYS A 1 1 ? -5.409 -6.003 4.772 1.00 0.00 ? 1 LYS A HE3 17 ATOM 8854 H HZ1 . LYS A 1 1 ? -3.469 -7.162 5.342 1.00 0.00 ? 1 LYS A HZ1 17 ATOM 8855 H HZ2 . LYS A 1 1 ? -3.561 -5.940 6.414 1.00 0.00 ? 1 LYS A HZ2 17 ATOM 8856 H HZ3 . LYS A 1 1 ? -3.954 -7.459 6.887 1.00 0.00 ? 1 LYS A HZ3 17 ATOM 8857 N N . LEU A 1 2 ? -8.480 -4.288 2.140 1.00 0.00 ? 2 LEU A N 17 ATOM 8858 C CA . LEU A 1 2 ? -8.051 -3.855 0.801 1.00 0.00 ? 2 LEU A CA 17 ATOM 8859 C C . LEU A 1 2 ? -8.907 -4.491 -0.323 1.00 0.00 ? 2 LEU A C 17 ATOM 8860 O O . LEU A 1 2 ? -9.637 -5.454 -0.052 1.00 0.00 ? 2 LEU A O 17 ATOM 8861 C CB . LEU A 1 2 ? -6.556 -4.214 0.663 1.00 0.00 ? 2 LEU A CB 17 ATOM 8862 C CG . LEU A 1 2 ? -5.618 -3.443 1.613 1.00 0.00 ? 2 LEU A CG 17 ATOM 8863 C CD1 . LEU A 1 2 ? -4.281 -4.166 1.734 1.00 0.00 ? 2 LEU A CD1 17 ATOM 8864 C CD2 . LEU A 1 2 ? -5.345 -2.033 1.093 1.00 0.00 ? 2 LEU A CD2 17 ATOM 8865 H H . LEU A 1 2 ? -8.376 -5.275 2.329 1.00 0.00 ? 2 LEU A H 17 ATOM 8866 H HA . LEU A 1 2 ? -8.156 -2.777 0.724 1.00 0.00 ? 2 LEU A HA 17 ATOM 8867 H HB2 . LEU A 1 2 ? -6.450 -5.287 0.849 1.00 0.00 ? 2 LEU A HB2 17 ATOM 8868 H HB3 . LEU A 1 2 ? -6.230 -4.011 -0.355 1.00 0.00 ? 2 LEU A HB3 17 ATOM 8869 H HG . LEU A 1 2 ? -6.054 -3.375 2.608 1.00 0.00 ? 2 LEU A HG 17 ATOM 8870 H HD11 . LEU A 1 2 ? -4.445 -5.153 2.165 1.00 0.00 ? 2 LEU A HD11 17 ATOM 8871 H HD12 . LEU A 1 2 ? -3.821 -4.266 0.751 1.00 0.00 ? 2 LEU A HD12 17 ATOM 8872 H HD13 . LEU A 1 2 ? -3.619 -3.605 2.392 1.00 0.00 ? 2 LEU A HD13 17 ATOM 8873 H HD21 . LEU A 1 2 ? -4.751 -1.483 1.822 1.00 0.00 ? 2 LEU A HD21 17 ATOM 8874 H HD22 . LEU A 1 2 ? -4.795 -2.096 0.155 1.00 0.00 ? 2 LEU A HD22 17 ATOM 8875 H HD23 . LEU A 1 2 ? -6.280 -1.501 0.933 1.00 0.00 ? 2 LEU A HD23 17 ATOM 8876 N N . PRO A 1 3 ? -8.853 -3.980 -1.572 1.00 0.00 ? 3 PRO A N 17 ATOM 8877 C CA . PRO A 1 3 ? -9.607 -4.531 -2.707 1.00 0.00 ? 3 PRO A CA 17 ATOM 8878 C C . PRO A 1 3 ? -9.113 -5.937 -3.124 1.00 0.00 ? 3 PRO A C 17 ATOM 8879 O O . PRO A 1 3 ? -8.055 -6.378 -2.660 1.00 0.00 ? 3 PRO A O 17 ATOM 8880 C CB . PRO A 1 3 ? -9.469 -3.507 -3.848 1.00 0.00 ? 3 PRO A CB 17 ATOM 8881 C CG . PRO A 1 3 ? -8.862 -2.265 -3.199 1.00 0.00 ? 3 PRO A CG 17 ATOM 8882 C CD . PRO A 1 3 ? -8.084 -2.828 -2.019 1.00 0.00 ? 3 PRO A CD 17 ATOM 8883 H HA . PRO A 1 3 ? -10.655 -4.593 -2.418 1.00 0.00 ? 3 PRO A HA 17 ATOM 8884 H HB2 . PRO A 1 3 ? -8.794 -3.880 -4.618 1.00 0.00 ? 3 PRO A HB2 17 ATOM 8885 H HB3 . PRO A 1 3 ? -10.442 -3.277 -4.286 1.00 0.00 ? 3 PRO A HB3 17 ATOM 8886 H HG2 . PRO A 1 3 ? -8.201 -1.738 -3.889 1.00 0.00 ? 3 PRO A HG2 17 ATOM 8887 H HG3 . PRO A 1 3 ? -9.655 -1.610 -2.838 1.00 0.00 ? 3 PRO A HG3 17 ATOM 8888 H HD2 . PRO A 1 3 ? -7.105 -3.163 -2.364 1.00 0.00 ? 3 PRO A HD2 17 ATOM 8889 H HD3 . PRO A 1 3 ? -7.971 -2.068 -1.248 1.00 0.00 ? 3 PRO A HD3 17 ATOM 8890 N N . PRO A 1 4 ? -9.830 -6.654 -4.016 1.00 0.00 ? 4 PRO A N 17 ATOM 8891 C CA . PRO A 1 4 ? -9.513 -8.037 -4.387 1.00 0.00 ? 4 PRO A CA 17 ATOM 8892 C C . PRO A 1 4 ? -8.057 -8.255 -4.837 1.00 0.00 ? 4 PRO A C 17 ATOM 8893 O O . PRO A 1 4 ? -7.575 -7.634 -5.787 1.00 0.00 ? 4 PRO A O 17 ATOM 8894 C CB . PRO A 1 4 ? -10.521 -8.411 -5.481 1.00 0.00 ? 4 PRO A CB 17 ATOM 8895 C CG . PRO A 1 4 ? -11.733 -7.552 -5.127 1.00 0.00 ? 4 PRO A CG 17 ATOM 8896 C CD . PRO A 1 4 ? -11.093 -6.258 -4.627 1.00 0.00 ? 4 PRO A CD 17 ATOM 8897 H HA . PRO A 1 4 ? -9.711 -8.664 -3.517 1.00 0.00 ? 4 PRO A HA 17 ATOM 8898 H HB2 . PRO A 1 4 ? -10.146 -8.118 -6.462 1.00 0.00 ? 4 PRO A HB2 17 ATOM 8899 H HB3 . PRO A 1 4 ? -10.760 -9.476 -5.462 1.00 0.00 ? 4 PRO A HB3 17 ATOM 8900 H HG2 . PRO A 1 4 ? -12.374 -7.378 -5.992 1.00 0.00 ? 4 PRO A HG2 17 ATOM 8901 H HG3 . PRO A 1 4 ? -12.294 -8.022 -4.317 1.00 0.00 ? 4 PRO A HG3 17 ATOM 8902 H HD2 . PRO A 1 4 ? -10.894 -5.597 -5.472 1.00 0.00 ? 4 PRO A HD2 17 ATOM 8903 H HD3 . PRO A 1 4 ? -11.758 -5.772 -3.912 1.00 0.00 ? 4 PRO A HD3 17 ATOM 8904 N N . GLY A 1 5 ? -7.357 -9.156 -4.141 1.00 0.00 ? 5 GLY A N 17 ATOM 8905 C CA . GLY A 1 5 ? -5.959 -9.528 -4.391 1.00 0.00 ? 5 GLY A CA 17 ATOM 8906 C C . GLY A 1 5 ? -4.892 -8.644 -3.731 1.00 0.00 ? 5 GLY A C 17 ATOM 8907 O O . GLY A 1 5 ? -3.741 -9.076 -3.641 1.00 0.00 ? 5 GLY A O 17 ATOM 8908 H H . GLY A 1 5 ? -7.825 -9.614 -3.371 1.00 0.00 ? 5 GLY A H 17 ATOM 8909 H HA2 . GLY A 1 5 ? -5.808 -10.551 -4.041 1.00 0.00 ? 5 GLY A HA2 17 ATOM 8910 H HA3 . GLY A 1 5 ? -5.778 -9.500 -5.467 1.00 0.00 ? 5 GLY A HA3 17 ATOM 8911 N N . TRP A 1 6 ? -5.230 -7.442 -3.253 1.00 0.00 ? 6 TRP A N 17 ATOM 8912 C CA . TRP A 1 6 ? -4.288 -6.530 -2.586 1.00 0.00 ? 6 TRP A CA 17 ATOM 8913 C C . TRP A 1 6 ? -3.935 -6.930 -1.142 1.00 0.00 ? 6 TRP A C 17 ATOM 8914 O O . TRP A 1 6 ? -4.803 -7.342 -0.369 1.00 0.00 ? 6 TRP A O 17 ATOM 8915 C CB . TRP A 1 6 ? -4.815 -5.092 -2.617 1.00 0.00 ? 6 TRP A CB 17 ATOM 8916 C CG . TRP A 1 6 ? -4.850 -4.394 -3.944 1.00 0.00 ? 6 TRP A CG 17 ATOM 8917 C CD1 . TRP A 1 6 ? -5.888 -4.416 -4.808 1.00 0.00 ? 6 TRP A CD1 17 ATOM 8918 C CD2 . TRP A 1 6 ? -3.761 -3.734 -4.665 1.00 0.00 ? 6 TRP A CD2 17 ATOM 8919 N NE1 . TRP A 1 6 ? -5.572 -3.696 -5.943 1.00 0.00 ? 6 TRP A NE1 17 ATOM 8920 C CE2 . TRP A 1 6 ? -4.261 -3.272 -5.920 1.00 0.00 ? 6 TRP A CE2 17 ATOM 8921 C CE3 . TRP A 1 6 ? -2.412 -3.446 -4.368 1.00 0.00 ? 6 TRP A CE3 17 ATOM 8922 C CZ2 . TRP A 1 6 ? -3.467 -2.560 -6.832 1.00 0.00 ? 6 TRP A CZ2 17 ATOM 8923 C CZ3 . TRP A 1 6 ? -1.605 -2.731 -5.275 1.00 0.00 ? 6 TRP A CZ3 17 ATOM 8924 C CH2 . TRP A 1 6 ? -2.128 -2.289 -6.503 1.00 0.00 ? 6 TRP A CH2 17 ATOM 8925 H H . TRP A 1 6 ? -6.201 -7.159 -3.305 1.00 0.00 ? 6 TRP A H 17 ATOM 8926 H HA . TRP A 1 6 ? -3.358 -6.531 -3.150 1.00 0.00 ? 6 TRP A HA 17 ATOM 8927 H HB2 . TRP A 1 6 ? -5.826 -5.099 -2.212 1.00 0.00 ? 6 TRP A HB2 17 ATOM 8928 H HB3 . TRP A 1 6 ? -4.190 -4.485 -1.958 1.00 0.00 ? 6 TRP A HB3 17 ATOM 8929 H HD1 . TRP A 1 6 ? -6.841 -4.892 -4.615 1.00 0.00 ? 6 TRP A HD1 17 ATOM 8930 H HE1 . TRP A 1 6 ? -6.257 -3.464 -6.670 1.00 0.00 ? 6 TRP A HE1 17 ATOM 8931 H HE3 . TRP A 1 6 ? -2.007 -3.767 -3.419 1.00 0.00 ? 6 TRP A HE3 17 ATOM 8932 H HZ2 . TRP A 1 6 ? -3.885 -2.227 -7.771 1.00 0.00 ? 6 TRP A HZ2 17 ATOM 8933 H HZ3 . TRP A 1 6 ? -0.578 -2.508 -5.025 1.00 0.00 ? 6 TRP A HZ3 17 ATOM 8934 H HH2 . TRP A 1 6 ? -1.501 -1.735 -7.193 1.00 0.00 ? 6 TRP A HH2 17 ATOM 8935 N N . GLU A 1 7 ? -2.672 -6.743 -0.750 1.00 0.00 ? 7 GLU A N 17 ATOM 8936 C CA . GLU A 1 7 ? -2.165 -6.920 0.620 1.00 0.00 ? 7 GLU A CA 17 ATOM 8937 C C . GLU A 1 7 ? -0.949 -6.002 0.894 1.00 0.00 ? 7 GLU A C 17 ATOM 8938 O O . GLU A 1 7 ? -0.240 -5.596 -0.032 1.00 0.00 ? 7 GLU A O 17 ATOM 8939 C CB . GLU A 1 7 ? -1.841 -8.412 0.849 1.00 0.00 ? 7 GLU A CB 17 ATOM 8940 C CG . GLU A 1 7 ? -1.442 -8.798 2.282 1.00 0.00 ? 7 GLU A CG 17 ATOM 8941 C CD . GLU A 1 7 ? -2.500 -8.398 3.327 1.00 0.00 ? 7 GLU A CD 17 ATOM 8942 O OE1 . GLU A 1 7 ? -2.429 -7.263 3.856 1.00 0.00 ? 7 GLU A OE1 17 ATOM 8943 O OE2 . GLU A 1 7 ? -3.401 -9.210 3.640 1.00 0.00 ? 7 GLU A OE2 17 ATOM 8944 H H . GLU A 1 7 ? -1.991 -6.479 -1.456 1.00 0.00 ? 7 GLU A H 17 ATOM 8945 H HA . GLU A 1 7 ? -2.952 -6.634 1.317 1.00 0.00 ? 7 GLU A HA 17 ATOM 8946 H HB2 . GLU A 1 7 ? -2.717 -9.004 0.580 1.00 0.00 ? 7 GLU A HB2 17 ATOM 8947 H HB3 . GLU A 1 7 ? -1.033 -8.701 0.175 1.00 0.00 ? 7 GLU A HB3 17 ATOM 8948 H HG2 . GLU A 1 7 ? -1.285 -9.879 2.315 1.00 0.00 ? 7 GLU A HG2 17 ATOM 8949 H HG3 . GLU A 1 7 ? -0.488 -8.333 2.531 1.00 0.00 ? 7 GLU A HG3 17 ATOM 8950 N N . LYS A 1 8 ? -0.701 -5.664 2.166 1.00 0.00 ? 8 LYS A N 17 ATOM 8951 C CA . LYS A 1 8 ? 0.461 -4.875 2.620 1.00 0.00 ? 8 LYS A CA 17 ATOM 8952 C C . LYS A 1 8 ? 1.815 -5.567 2.428 1.00 0.00 ? 8 LYS A C 17 ATOM 8953 O O . LYS A 1 8 ? 1.940 -6.788 2.569 1.00 0.00 ? 8 LYS A O 17 ATOM 8954 C CB . LYS A 1 8 ? 0.292 -4.413 4.077 1.00 0.00 ? 8 LYS A CB 17 ATOM 8955 C CG . LYS A 1 8 ? -0.630 -3.189 4.160 1.00 0.00 ? 8 LYS A CG 17 ATOM 8956 C CD . LYS A 1 8 ? -0.854 -2.699 5.598 1.00 0.00 ? 8 LYS A CD 17 ATOM 8957 C CE . LYS A 1 8 ? 0.427 -2.116 6.213 1.00 0.00 ? 8 LYS A CE 17 ATOM 8958 N NZ . LYS A 1 8 ? 0.189 -1.608 7.589 1.00 0.00 ? 8 LYS A NZ 17 ATOM 8959 H H . LYS A 1 8 ? -1.315 -6.054 2.881 1.00 0.00 ? 8 LYS A H 17 ATOM 8960 H HA . LYS A 1 8 ? 0.503 -3.979 1.996 1.00 0.00 ? 8 LYS A HA 17 ATOM 8961 H HB2 . LYS A 1 8 ? -0.107 -5.229 4.682 1.00 0.00 ? 8 LYS A HB2 17 ATOM 8962 H HB3 . LYS A 1 8 ? 1.269 -4.135 4.476 1.00 0.00 ? 8 LYS A HB3 17 ATOM 8963 H HG2 . LYS A 1 8 ? -0.193 -2.374 3.577 1.00 0.00 ? 8 LYS A HG2 17 ATOM 8964 H HG3 . LYS A 1 8 ? -1.594 -3.454 3.726 1.00 0.00 ? 8 LYS A HG3 17 ATOM 8965 H HD2 . LYS A 1 8 ? -1.622 -1.923 5.580 1.00 0.00 ? 8 LYS A HD2 17 ATOM 8966 H HD3 . LYS A 1 8 ? -1.215 -3.528 6.209 1.00 0.00 ? 8 LYS A HD3 17 ATOM 8967 H HE2 . LYS A 1 8 ? 1.200 -2.889 6.236 1.00 0.00 ? 8 LYS A HE2 17 ATOM 8968 H HE3 . LYS A 1 8 ? 0.785 -1.303 5.575 1.00 0.00 ? 8 LYS A HE3 17 ATOM 8969 H HZ1 . LYS A 1 8 ? -0.508 -0.876 7.596 1.00 0.00 ? 8 LYS A HZ1 17 ATOM 8970 H HZ2 . LYS A 1 8 ? -0.131 -2.346 8.203 1.00 0.00 ? 8 LYS A HZ2 17 ATOM 8971 H HZ3 . LYS A 1 8 ? 1.037 -1.226 7.988 1.00 0.00 ? 8 LYS A HZ3 17 ATOM 8972 N N . ARG A 1 9 ? 2.829 -4.756 2.125 1.00 0.00 ? 9 ARG A N 17 ATOM 8973 C CA . ARG A 1 9 ? 4.262 -5.095 2.017 1.00 0.00 ? 9 ARG A CA 17 ATOM 8974 C C . ARG A 1 9 ? 5.135 -4.009 2.661 1.00 0.00 ? 9 ARG A C 17 ATOM 8975 O O . ARG A 1 9 ? 4.653 -2.916 2.965 1.00 0.00 ? 9 ARG A O 17 ATOM 8976 C CB . ARG A 1 9 ? 4.648 -5.251 0.535 1.00 0.00 ? 9 ARG A CB 17 ATOM 8977 C CG . ARG A 1 9 ? 3.913 -6.334 -0.261 1.00 0.00 ? 9 ARG A CG 17 ATOM 8978 C CD . ARG A 1 9 ? 4.200 -7.740 0.280 1.00 0.00 ? 9 ARG A CD 17 ATOM 8979 N NE . ARG A 1 9 ? 3.498 -8.777 -0.499 1.00 0.00 ? 9 ARG A NE 17 ATOM 8980 C CZ . ARG A 1 9 ? 2.431 -9.462 -0.127 1.00 0.00 ? 9 ARG A CZ 17 ATOM 8981 N NH1 . ARG A 1 9 ? 2.022 -10.471 -0.841 1.00 0.00 ? 9 ARG A NH1 17 ATOM 8982 N NH2 . ARG A 1 9 ? 1.751 -9.178 0.948 1.00 0.00 ? 9 ARG A NH2 17 ATOM 8983 H H . ARG A 1 9 ? 2.588 -3.775 2.010 1.00 0.00 ? 9 ARG A H 17 ATOM 8984 H HA . ARG A 1 9 ? 4.467 -6.025 2.551 1.00 0.00 ? 9 ARG A HA 17 ATOM 8985 H HB2 . ARG A 1 9 ? 4.460 -4.297 0.046 1.00 0.00 ? 9 ARG A HB2 17 ATOM 8986 H HB3 . ARG A 1 9 ? 5.716 -5.461 0.470 1.00 0.00 ? 9 ARG A HB3 17 ATOM 8987 H HG2 . ARG A 1 9 ? 2.842 -6.126 -0.250 1.00 0.00 ? 9 ARG A HG2 17 ATOM 8988 H HG3 . ARG A 1 9 ? 4.265 -6.290 -1.293 1.00 0.00 ? 9 ARG A HG3 17 ATOM 8989 H HD2 . ARG A 1 9 ? 5.277 -7.921 0.208 1.00 0.00 ? 9 ARG A HD2 17 ATOM 8990 H HD3 . ARG A 1 9 ? 3.917 -7.799 1.332 1.00 0.00 ? 9 ARG A HD3 17 ATOM 8991 H HE . ARG A 1 9 ? 3.952 -9.093 -1.343 1.00 0.00 ? 9 ARG A HE 17 ATOM 8992 H HH11 . ARG A 1 9 ? 2.538 -10.755 -1.657 1.00 0.00 ? 9 ARG A HH11 17 ATOM 8993 H HH12 . ARG A 1 9 ? 1.215 -11.001 -0.554 1.00 0.00 ? 9 ARG A HH12 17 ATOM 8994 H HH21 . ARG A 1 9 ? 1.997 -8.364 1.500 1.00 0.00 ? 9 ARG A HH21 17 ATOM 8995 H HH22 . ARG A 1 9 ? 0.971 -9.749 1.219 1.00 0.00 ? 9 ARG A HH22 17 ATOM 8996 N N . MET A 1 10 ? 6.430 -4.281 2.824 1.00 0.00 ? 10 MET A N 17 ATOM 8997 C CA . MET A 1 10 ? 7.401 -3.322 3.361 1.00 0.00 ? 10 MET A CA 17 ATOM 8998 C C . MET A 1 10 ? 8.828 -3.629 2.882 1.00 0.00 ? 10 MET A C 17 ATOM 8999 O O . MET A 1 10 ? 9.279 -4.777 2.902 1.00 0.00 ? 10 MET A O 17 ATOM 9000 C CB . MET A 1 10 ? 7.330 -3.310 4.901 1.00 0.00 ? 10 MET A CB 17 ATOM 9001 C CG . MET A 1 10 ? 8.129 -2.154 5.518 1.00 0.00 ? 10 MET A CG 17 ATOM 9002 S SD . MET A 1 10 ? 8.184 -2.138 7.331 1.00 0.00 ? 10 MET A SD 17 ATOM 9003 C CE . MET A 1 10 ? 9.372 -3.478 7.624 1.00 0.00 ? 10 MET A CE 17 ATOM 9004 H H . MET A 1 10 ? 6.768 -5.191 2.543 1.00 0.00 ? 10 MET A H 17 ATOM 9005 H HA . MET A 1 10 ? 7.130 -2.331 2.998 1.00 0.00 ? 10 MET A HA 17 ATOM 9006 H HB2 . MET A 1 10 ? 6.292 -3.207 5.217 1.00 0.00 ? 10 MET A HB2 17 ATOM 9007 H HB3 . MET A 1 10 ? 7.709 -4.259 5.280 1.00 0.00 ? 10 MET A HB3 17 ATOM 9008 H HG2 . MET A 1 10 ? 9.154 -2.175 5.149 1.00 0.00 ? 10 MET A HG2 17 ATOM 9009 H HG3 . MET A 1 10 ? 7.675 -1.219 5.192 1.00 0.00 ? 10 MET A HG3 17 ATOM 9010 H HE1 . MET A 1 10 ? 8.970 -4.421 7.254 1.00 0.00 ? 10 MET A HE1 17 ATOM 9011 H HE2 . MET A 1 10 ? 10.310 -3.259 7.110 1.00 0.00 ? 10 MET A HE2 17 ATOM 9012 H HE3 . MET A 1 10 ? 9.563 -3.569 8.693 1.00 0.00 ? 10 MET A HE3 17 ATOM 9013 N N . PHE A 1 11 ? 9.534 -2.583 2.455 1.00 0.00 ? 11 PHE A N 17 ATOM 9014 C CA . PHE A 1 11 ? 10.944 -2.597 2.061 1.00 0.00 ? 11 PHE A CA 17 ATOM 9015 C C . PHE A 1 11 ? 11.948 -2.761 3.216 1.00 0.00 ? 11 PHE A C 17 ATOM 9016 O O . PHE A 1 11 ? 11.630 -2.473 4.373 1.00 0.00 ? 11 PHE A O 17 ATOM 9017 C CB . PHE A 1 11 ? 11.239 -1.343 1.226 1.00 0.00 ? 11 PHE A CB 17 ATOM 9018 C CG . PHE A 1 11 ? 10.600 -1.303 -0.147 1.00 0.00 ? 11 PHE A CG 17 ATOM 9019 C CD1 . PHE A 1 11 ? 11.073 -2.131 -1.183 1.00 0.00 ? 11 PHE A CD1 17 ATOM 9020 C CD2 . PHE A 1 11 ? 9.546 -0.405 -0.400 1.00 0.00 ? 11 PHE A CD2 17 ATOM 9021 C CE1 . PHE A 1 11 ? 10.495 -2.059 -2.464 1.00 0.00 ? 11 PHE A CE1 17 ATOM 9022 C CE2 . PHE A 1 11 ? 8.974 -0.327 -1.681 1.00 0.00 ? 11 PHE A CE2 17 ATOM 9023 C CZ . PHE A 1 11 ? 9.446 -1.155 -2.714 1.00 0.00 ? 11 PHE A CZ 17 ATOM 9024 H H . PHE A 1 11 ? 9.079 -1.677 2.480 1.00 0.00 ? 11 PHE A H 17 ATOM 9025 H HA . PHE A 1 11 ? 11.095 -3.458 1.409 1.00 0.00 ? 11 PHE A HA 17 ATOM 9026 H HB2 . PHE A 1 11 ? 10.894 -0.477 1.793 1.00 0.00 ? 11 PHE A HB2 17 ATOM 9027 H HB3 . PHE A 1 11 ? 12.319 -1.252 1.085 1.00 0.00 ? 11 PHE A HB3 17 ATOM 9028 H HD1 . PHE A 1 11 ? 11.886 -2.822 -0.998 1.00 0.00 ? 11 PHE A HD1 17 ATOM 9029 H HD2 . PHE A 1 11 ? 9.168 0.229 0.388 1.00 0.00 ? 11 PHE A HD2 17 ATOM 9030 H HE1 . PHE A 1 11 ? 10.856 -2.699 -3.258 1.00 0.00 ? 11 PHE A HE1 17 ATOM 9031 H HE2 . PHE A 1 11 ? 8.155 0.355 -1.859 1.00 0.00 ? 11 PHE A HE2 17 ATOM 9032 H HZ . PHE A 1 11 ? 8.997 -1.103 -3.697 1.00 0.00 ? 11 PHE A HZ 17 ATOM 9033 N N . ALA A 1 12 ? 13.190 -3.159 2.915 1.00 0.00 ? 12 ALA A N 17 ATOM 9034 C CA . ALA A 1 12 ? 14.262 -3.327 3.908 1.00 0.00 ? 12 ALA A CA 17 ATOM 9035 C C . ALA A 1 12 ? 14.660 -2.018 4.636 1.00 0.00 ? 12 ALA A C 17 ATOM 9036 O O . ALA A 1 12 ? 15.183 -2.060 5.753 1.00 0.00 ? 12 ALA A O 17 ATOM 9037 C CB . ALA A 1 12 ? 15.468 -3.951 3.194 1.00 0.00 ? 12 ALA A CB 17 ATOM 9038 H H . ALA A 1 12 ? 13.403 -3.381 1.951 1.00 0.00 ? 12 ALA A H 17 ATOM 9039 H HA . ALA A 1 12 ? 13.917 -4.028 4.670 1.00 0.00 ? 12 ALA A HA 17 ATOM 9040 H HB1 . ALA A 1 12 ? 15.840 -3.274 2.424 1.00 0.00 ? 12 ALA A HB1 17 ATOM 9041 H HB2 . ALA A 1 12 ? 16.264 -4.139 3.916 1.00 0.00 ? 12 ALA A HB2 17 ATOM 9042 H HB3 . ALA A 1 12 ? 15.180 -4.898 2.737 1.00 0.00 ? 12 ALA A HB3 17 ATOM 9043 N N . ASN A 1 13 ? 14.387 -0.857 4.029 1.00 0.00 ? 13 ASN A N 17 ATOM 9044 C CA . ASN A 1 13 ? 14.555 0.479 4.622 1.00 0.00 ? 13 ASN A CA 17 ATOM 9045 C C . ASN A 1 13 ? 13.422 0.895 5.597 1.00 0.00 ? 13 ASN A C 17 ATOM 9046 O O . ASN A 1 13 ? 13.508 1.960 6.216 1.00 0.00 ? 13 ASN A O 17 ATOM 9047 C CB . ASN A 1 13 ? 14.736 1.511 3.486 1.00 0.00 ? 13 ASN A CB 17 ATOM 9048 C CG . ASN A 1 13 ? 13.567 1.579 2.510 1.00 0.00 ? 13 ASN A CG 17 ATOM 9049 O OD1 . ASN A 1 13 ? 12.476 1.106 2.811 1.00 0.00 ? 13 ASN A OD1 17 ATOM 9050 N ND2 . ASN A 1 13 ? 13.788 2.162 1.343 1.00 0.00 ? 13 ASN A ND2 17 ATOM 9051 H H . ASN A 1 13 ? 13.961 -0.908 3.115 1.00 0.00 ? 13 ASN A H 17 ATOM 9052 H HA . ASN A 1 13 ? 15.473 0.476 5.212 1.00 0.00 ? 13 ASN A HA 17 ATOM 9053 H HB2 . ASN A 1 13 ? 14.880 2.505 3.914 1.00 0.00 ? 13 ASN A HB2 17 ATOM 9054 H HB3 . ASN A 1 13 ? 15.635 1.247 2.924 1.00 0.00 ? 13 ASN A HB3 17 ATOM 9055 H HD21 . ASN A 1 13 ? 14.702 2.549 1.161 1.00 0.00 ? 13 ASN A HD21 17 ATOM 9056 N N . GLY A 1 14 ? 12.363 0.086 5.740 1.00 0.00 ? 14 GLY A N 17 ATOM 9057 C CA . GLY A 1 14 ? 11.201 0.366 6.595 1.00 0.00 ? 14 GLY A CA 17 ATOM 9058 C C . GLY A 1 14 ? 10.054 1.143 5.925 1.00 0.00 ? 14 GLY A C 17 ATOM 9059 O O . GLY A 1 14 ? 9.179 1.652 6.629 1.00 0.00 ? 14 GLY A O 17 ATOM 9060 H H . GLY A 1 14 ? 12.347 -0.774 5.205 1.00 0.00 ? 14 GLY A H 17 ATOM 9061 H HA2 . GLY A 1 14 ? 10.793 -0.590 6.927 1.00 0.00 ? 14 GLY A HA2 17 ATOM 9062 H HA3 . GLY A 1 14 ? 11.522 0.928 7.475 1.00 0.00 ? 14 GLY A HA3 17 ATOM 9063 N N . THR A 1 15 ? 10.020 1.233 4.589 1.00 0.00 ? 15 THR A N 17 ATOM 9064 C CA . THR A 1 15 ? 8.974 1.955 3.833 1.00 0.00 ? 15 THR A CA 17 ATOM 9065 C C . THR A 1 15 ? 7.893 0.953 3.423 1.00 0.00 ? 15 THR A C 17 ATOM 9066 O O . THR A 1 15 ? 8.187 -0.099 2.856 1.00 0.00 ? 15 THR A O 17 ATOM 9067 C CB . THR A 1 15 ? 9.585 2.596 2.574 1.00 0.00 ? 15 THR A CB 17 ATOM 9068 O OG1 . THR A 1 15 ? 10.404 3.681 2.956 1.00 0.00 ? 15 THR A OG1 17 ATOM 9069 C CG2 . THR A 1 15 ? 8.556 3.138 1.578 1.00 0.00 ? 15 THR A CG2 17 ATOM 9070 H H . THR A 1 15 ? 10.798 0.851 4.063 1.00 0.00 ? 15 THR A H 17 ATOM 9071 H HA . THR A 1 15 ? 8.529 2.741 4.444 1.00 0.00 ? 15 THR A HA 17 ATOM 9072 H HB . THR A 1 15 ? 10.192 1.857 2.053 1.00 0.00 ? 15 THR A HB 17 ATOM 9073 H HG1 . THR A 1 15 ? 10.931 3.923 2.171 1.00 0.00 ? 15 THR A HG1 17 ATOM 9074 H HG21 . THR A 1 15 ? 9.063 3.684 0.784 1.00 0.00 ? 15 THR A HG21 17 ATOM 9075 H HG22 . THR A 1 15 ? 8.007 2.313 1.120 1.00 0.00 ? 15 THR A HG22 17 ATOM 9076 H HG23 . THR A 1 15 ? 7.857 3.805 2.085 1.00 0.00 ? 15 THR A HG23 17 ATOM 9077 N N . VAL A 1 16 ? 6.626 1.289 3.682 1.00 0.00 ? 16 VAL A N 17 ATOM 9078 C CA . VAL A 1 16 ? 5.456 0.412 3.473 1.00 0.00 ? 16 VAL A CA 17 ATOM 9079 C C . VAL A 1 16 ? 4.835 0.698 2.099 1.00 0.00 ? 16 VAL A C 17 ATOM 9080 O O . VAL A 1 16 ? 4.802 1.843 1.641 1.00 0.00 ? 16 VAL A O 17 ATOM 9081 C CB . VAL A 1 16 ? 4.424 0.643 4.601 1.00 0.00 ? 16 VAL A CB 17 ATOM 9082 C CG1 . VAL A 1 16 ? 3.063 -0.034 4.378 1.00 0.00 ? 16 VAL A CG1 17 ATOM 9083 C CG2 . VAL A 1 16 ? 4.970 0.124 5.939 1.00 0.00 ? 16 VAL A CG2 17 ATOM 9084 H H . VAL A 1 16 ? 6.457 2.192 4.104 1.00 0.00 ? 16 VAL A H 17 ATOM 9085 H HA . VAL A 1 16 ? 5.764 -0.632 3.501 1.00 0.00 ? 16 VAL A HA 17 ATOM 9086 H HB . VAL A 1 16 ? 4.246 1.715 4.697 1.00 0.00 ? 16 VAL A HB 17 ATOM 9087 H HG11 . VAL A 1 16 ? 2.569 0.382 3.500 1.00 0.00 ? 16 VAL A HG11 17 ATOM 9088 H HG12 . VAL A 1 16 ? 3.191 -1.109 4.250 1.00 0.00 ? 16 VAL A HG12 17 ATOM 9089 H HG13 . VAL A 1 16 ? 2.419 0.152 5.237 1.00 0.00 ? 16 VAL A HG13 17 ATOM 9090 H HG21 . VAL A 1 16 ? 4.254 0.329 6.735 1.00 0.00 ? 16 VAL A HG21 17 ATOM 9091 H HG22 . VAL A 1 16 ? 5.138 -0.952 5.881 1.00 0.00 ? 16 VAL A HG22 17 ATOM 9092 H HG23 . VAL A 1 16 ? 5.909 0.621 6.185 1.00 0.00 ? 16 VAL A HG23 17 ATOM 9093 N N . TYR A 1 17 ? 4.321 -0.351 1.452 1.00 0.00 ? 17 TYR A N 17 ATOM 9094 C CA . TYR A 1 17 ? 3.596 -0.279 0.178 1.00 0.00 ? 17 TYR A CA 17 ATOM 9095 C C . TYR A 1 17 ? 2.505 -1.366 0.120 1.00 0.00 ? 17 TYR A C 17 ATOM 9096 O O . TYR A 1 17 ? 2.326 -2.152 1.056 1.00 0.00 ? 17 TYR A O 17 ATOM 9097 C CB . TYR A 1 17 ? 4.594 -0.396 -0.994 1.00 0.00 ? 17 TYR A CB 17 ATOM 9098 C CG . TYR A 1 17 ? 5.332 -1.717 -1.161 1.00 0.00 ? 17 TYR A CG 17 ATOM 9099 C CD1 . TYR A 1 17 ? 6.477 -1.990 -0.385 1.00 0.00 ? 17 TYR A CD1 17 ATOM 9100 C CD2 . TYR A 1 17 ? 4.927 -2.636 -2.156 1.00 0.00 ? 17 TYR A CD2 17 ATOM 9101 C CE1 . TYR A 1 17 ? 7.236 -3.152 -0.626 1.00 0.00 ? 17 TYR A CE1 17 ATOM 9102 C CE2 . TYR A 1 17 ? 5.684 -3.800 -2.399 1.00 0.00 ? 17 TYR A CE2 17 ATOM 9103 C CZ . TYR A 1 17 ? 6.851 -4.051 -1.644 1.00 0.00 ? 17 TYR A CZ 17 ATOM 9104 O OH . TYR A 1 17 ? 7.589 -5.170 -1.872 1.00 0.00 ? 17 TYR A OH 17 ATOM 9105 H H . TYR A 1 17 ? 4.349 -1.255 1.913 1.00 0.00 ? 17 TYR A H 17 ATOM 9106 H HA . TYR A 1 17 ? 3.094 0.686 0.100 1.00 0.00 ? 17 TYR A HA 17 ATOM 9107 H HB2 . TYR A 1 17 ? 4.067 -0.179 -1.922 1.00 0.00 ? 17 TYR A HB2 17 ATOM 9108 H HB3 . TYR A 1 17 ? 5.341 0.391 -0.885 1.00 0.00 ? 17 TYR A HB3 17 ATOM 9109 H HD1 . TYR A 1 17 ? 6.797 -1.286 0.370 1.00 0.00 ? 17 TYR A HD1 17 ATOM 9110 H HD2 . TYR A 1 17 ? 4.042 -2.452 -2.750 1.00 0.00 ? 17 TYR A HD2 17 ATOM 9111 H HE1 . TYR A 1 17 ? 8.131 -3.348 -0.056 1.00 0.00 ? 17 TYR A HE1 17 ATOM 9112 H HE2 . TYR A 1 17 ? 5.368 -4.499 -3.161 1.00 0.00 ? 17 TYR A HE2 17 ATOM 9113 H HH . TYR A 1 17 ? 7.257 -5.671 -2.626 1.00 0.00 ? 17 TYR A HH 17 ATOM 9114 N N . TYR A 1 18 ? 1.767 -1.412 -0.988 1.00 0.00 ? 18 TYR A N 17 ATOM 9115 C CA . TYR A 1 18 ? 0.685 -2.358 -1.257 1.00 0.00 ? 18 TYR A CA 17 ATOM 9116 C C . TYR A 1 18 ? 0.987 -3.145 -2.538 1.00 0.00 ? 18 TYR A C 17 ATOM 9117 O O . TYR A 1 18 ? 1.534 -2.597 -3.502 1.00 0.00 ? 18 TYR A O 17 ATOM 9118 C CB . TYR A 1 18 ? -0.647 -1.594 -1.362 1.00 0.00 ? 18 TYR A CB 17 ATOM 9119 C CG . TYR A 1 18 ? -0.990 -0.782 -0.125 1.00 0.00 ? 18 TYR A CG 17 ATOM 9120 C CD1 . TYR A 1 18 ? -1.674 -1.385 0.950 1.00 0.00 ? 18 TYR A CD1 17 ATOM 9121 C CD2 . TYR A 1 18 ? -0.604 0.572 -0.037 1.00 0.00 ? 18 TYR A CD2 17 ATOM 9122 C CE1 . TYR A 1 18 ? -1.970 -0.640 2.109 1.00 0.00 ? 18 TYR A CE1 17 ATOM 9123 C CE2 . TYR A 1 18 ? -0.881 1.314 1.127 1.00 0.00 ? 18 TYR A CE2 17 ATOM 9124 C CZ . TYR A 1 18 ? -1.567 0.711 2.202 1.00 0.00 ? 18 TYR A CZ 17 ATOM 9125 O OH . TYR A 1 18 ? -1.843 1.434 3.321 1.00 0.00 ? 18 TYR A OH 17 ATOM 9126 H H . TYR A 1 18 ? 1.952 -0.721 -1.707 1.00 0.00 ? 18 TYR A H 17 ATOM 9127 H HA . TYR A 1 18 ? 0.601 -3.069 -0.435 1.00 0.00 ? 18 TYR A HA 17 ATOM 9128 H HB2 . TYR A 1 18 ? -0.604 -0.924 -2.225 1.00 0.00 ? 18 TYR A HB2 17 ATOM 9129 H HB3 . TYR A 1 18 ? -1.448 -2.317 -1.534 1.00 0.00 ? 18 TYR A HB3 17 ATOM 9130 H HD1 . TYR A 1 18 ? -1.966 -2.424 0.887 1.00 0.00 ? 18 TYR A HD1 17 ATOM 9131 H HD2 . TYR A 1 18 ? -0.087 1.041 -0.863 1.00 0.00 ? 18 TYR A HD2 17 ATOM 9132 H HE1 . TYR A 1 18 ? -2.496 -1.104 2.931 1.00 0.00 ? 18 TYR A HE1 17 ATOM 9133 H HE2 . TYR A 1 18 ? -0.577 2.349 1.199 1.00 0.00 ? 18 TYR A HE2 17 ATOM 9134 H HH . TYR A 1 18 ? -2.321 0.913 3.976 1.00 0.00 ? 18 TYR A HH 17 ATOM 9135 N N . PHE A 1 19 ? 0.624 -4.427 -2.559 1.00 0.00 ? 19 PHE A N 17 ATOM 9136 C CA . PHE A 1 19 ? 0.883 -5.350 -3.666 1.00 0.00 ? 19 PHE A CA 17 ATOM 9137 C C . PHE A 1 19 ? -0.305 -6.269 -3.966 1.00 0.00 ? 19 PHE A C 17 ATOM 9138 O O . PHE A 1 19 ? -0.891 -6.834 -3.040 1.00 0.00 ? 19 PHE A O 17 ATOM 9139 C CB . PHE A 1 19 ? 2.157 -6.149 -3.375 1.00 0.00 ? 19 PHE A CB 17 ATOM 9140 C CG . PHE A 1 19 ? 2.474 -7.172 -4.442 1.00 0.00 ? 19 PHE A CG 17 ATOM 9141 C CD1 . PHE A 1 19 ? 3.001 -6.712 -5.658 1.00 0.00 ? 19 PHE A CD1 17 ATOM 9142 C CD2 . PHE A 1 19 ? 2.208 -8.544 -4.266 1.00 0.00 ? 19 PHE A CD2 17 ATOM 9143 C CE1 . PHE A 1 19 ? 3.260 -7.605 -6.703 1.00 0.00 ? 19 PHE A CE1 17 ATOM 9144 C CE2 . PHE A 1 19 ? 2.501 -9.449 -5.305 1.00 0.00 ? 19 PHE A CE2 17 ATOM 9145 C CZ . PHE A 1 19 ? 3.024 -8.980 -6.524 1.00 0.00 ? 19 PHE A CZ 17 ATOM 9146 H H . PHE A 1 19 ? 0.206 -4.820 -1.720 1.00 0.00 ? 19 PHE A H 17 ATOM 9147 H HA . PHE A 1 19 ? 1.075 -4.782 -4.578 1.00 0.00 ? 19 PHE A HA 17 ATOM 9148 H HB2 . PHE A 1 19 ? 2.998 -5.456 -3.289 1.00 0.00 ? 19 PHE A HB2 17 ATOM 9149 H HB3 . PHE A 1 19 ? 2.035 -6.668 -2.423 1.00 0.00 ? 19 PHE A HB3 17 ATOM 9150 H HD1 . PHE A 1 19 ? 3.181 -5.659 -5.800 1.00 0.00 ? 19 PHE A HD1 17 ATOM 9151 H HD2 . PHE A 1 19 ? 1.769 -8.907 -3.347 1.00 0.00 ? 19 PHE A HD2 17 ATOM 9152 H HE1 . PHE A 1 19 ? 3.627 -7.211 -7.639 1.00 0.00 ? 19 PHE A HE1 17 ATOM 9153 H HE2 . PHE A 1 19 ? 2.309 -10.504 -5.171 1.00 0.00 ? 19 PHE A HE2 17 ATOM 9154 H HZ . PHE A 1 19 ? 3.232 -9.676 -7.326 1.00 0.00 ? 19 PHE A HZ 17 ATOM 9155 N N . ASN A 1 20 ? -0.663 -6.434 -5.241 1.00 0.00 ? 20 ASN A N 17 ATOM 9156 C CA . ASN A 1 20 ? -1.730 -7.332 -5.673 1.00 0.00 ? 20 ASN A CA 17 ATOM 9157 C C . ASN A 1 20 ? -1.155 -8.686 -6.127 1.00 0.00 ? 20 ASN A C 17 ATOM 9158 O O . ASN A 1 20 ? -0.437 -8.760 -7.126 1.00 0.00 ? 20 ASN A O 17 ATOM 9159 C CB . ASN A 1 20 ? -2.557 -6.652 -6.770 1.00 0.00 ? 20 ASN A CB 17 ATOM 9160 C CG . ASN A 1 20 ? -3.867 -7.389 -6.972 1.00 0.00 ? 20 ASN A CG 17 ATOM 9161 O OD1 . ASN A 1 20 ? -3.897 -8.571 -7.283 1.00 0.00 ? 20 ASN A OD1 17 ATOM 9162 N ND2 . ASN A 1 20 ? -4.984 -6.730 -6.786 1.00 0.00 ? 20 ASN A ND2 17 ATOM 9163 H H . ASN A 1 20 ? -0.129 -5.953 -5.957 1.00 0.00 ? 20 ASN A H 17 ATOM 9164 H HA . ASN A 1 20 ? -2.393 -7.512 -4.833 1.00 0.00 ? 20 ASN A HA 17 ATOM 9165 H HB2 . ASN A 1 20 ? -2.766 -5.623 -6.478 1.00 0.00 ? 20 ASN A HB2 17 ATOM 9166 H HB3 . ASN A 1 20 ? -2.000 -6.644 -7.707 1.00 0.00 ? 20 ASN A HB3 17 ATOM 9167 H HD21 . ASN A 1 20 ? -5.862 -7.240 -6.799 1.00 0.00 ? 20 ASN A HD21 17 ATOM 9168 H HD22 . ASN A 1 20 ? -4.957 -5.767 -6.477 1.00 0.00 ? 20 ASN A HD22 17 ATOM 9169 N N . HIS A 1 21 ? -1.496 -9.769 -5.423 1.00 0.00 ? 21 HIS A N 17 ATOM 9170 C CA . HIS A 1 21 ? -0.960 -11.109 -5.707 1.00 0.00 ? 21 HIS A CA 17 ATOM 9171 C C . HIS A 1 21 ? -1.552 -11.752 -6.978 1.00 0.00 ? 21 HIS A C 17 ATOM 9172 O O . HIS A 1 21 ? -0.913 -12.613 -7.588 1.00 0.00 ? 21 HIS A O 17 ATOM 9173 C CB . HIS A 1 21 ? -1.135 -12.000 -4.462 1.00 0.00 ? 21 HIS A CB 17 ATOM 9174 C CG . HIS A 1 21 ? -2.441 -12.763 -4.386 1.00 0.00 ? 21 HIS A CG 17 ATOM 9175 N ND1 . HIS A 1 21 ? -2.692 -14.001 -4.991 1.00 0.00 ? 21 HIS A ND1 17 ATOM 9176 C CD2 . HIS A 1 21 ? -3.530 -12.418 -3.640 1.00 0.00 ? 21 HIS A CD2 17 ATOM 9177 C CE1 . HIS A 1 21 ? -3.931 -14.358 -4.610 1.00 0.00 ? 21 HIS A CE1 17 ATOM 9178 N NE2 . HIS A 1 21 ? -4.458 -13.425 -3.802 1.00 0.00 ? 21 HIS A NE2 17 ATOM 9179 H H . HIS A 1 21 ? -2.124 -9.651 -4.634 1.00 0.00 ? 21 HIS A H 17 ATOM 9180 H HA . HIS A 1 21 ? 0.111 -11.009 -5.887 1.00 0.00 ? 21 HIS A HA 17 ATOM 9181 H HB2 . HIS A 1 21 ? -0.323 -12.732 -4.469 1.00 0.00 ? 21 HIS A HB2 17 ATOM 9182 H HB3 . HIS A 1 21 ? -1.022 -11.393 -3.559 1.00 0.00 ? 21 HIS A HB3 17 ATOM 9183 H HD2 . HIS A 1 21 ? -3.634 -11.531 -3.031 1.00 0.00 ? 21 HIS A HD2 17 ATOM 9184 H HE1 . HIS A 1 21 ? -4.433 -15.273 -4.907 1.00 0.00 ? 21 HIS A HE1 17 ATOM 9185 H HE2 . HIS A 1 21 ? -5.376 -13.477 -3.370 1.00 0.00 ? 21 HIS A HE2 17 ATOM 9186 N N . ILE A 1 22 ? -2.749 -11.324 -7.399 1.00 0.00 ? 22 ILE A N 17 ATOM 9187 C CA . ILE A 1 22 ? -3.480 -11.854 -8.559 1.00 0.00 ? 22 ILE A CA 17 ATOM 9188 C C . ILE A 1 22 ? -2.983 -11.213 -9.865 1.00 0.00 ? 22 ILE A C 17 ATOM 9189 O O . ILE A 1 22 ? -2.825 -11.893 -10.881 1.00 0.00 ? 22 ILE A O 17 ATOM 9190 C CB . ILE A 1 22 ? -5.002 -11.600 -8.371 1.00 0.00 ? 22 ILE A CB 17 ATOM 9191 C CG1 . ILE A 1 22 ? -5.496 -12.116 -6.994 1.00 0.00 ? 22 ILE A CG1 17 ATOM 9192 C CG2 . ILE A 1 22 ? -5.797 -12.247 -9.518 1.00 0.00 ? 22 ILE A CG2 17 ATOM 9193 C CD1 . ILE A 1 22 ? -6.991 -11.912 -6.719 1.00 0.00 ? 22 ILE A CD1 17 ATOM 9194 H H . ILE A 1 22 ? -3.196 -10.579 -6.880 1.00 0.00 ? 22 ILE A H 17 ATOM 9195 H HA . ILE A 1 22 ? -3.316 -12.930 -8.624 1.00 0.00 ? 22 ILE A HA 17 ATOM 9196 H HB . ILE A 1 22 ? -5.177 -10.522 -8.416 1.00 0.00 ? 22 ILE A HB 17 ATOM 9197 H HG12 . ILE A 1 22 ? -5.270 -13.182 -6.908 1.00 0.00 ? 22 ILE A HG12 17 ATOM 9198 H HG13 . ILE A 1 22 ? -4.961 -11.588 -6.204 1.00 0.00 ? 22 ILE A HG13 17 ATOM 9199 H HG21 . ILE A 1 22 ? -5.465 -11.860 -10.479 1.00 0.00 ? 22 ILE A HG21 17 ATOM 9200 H HG22 . ILE A 1 22 ? -5.663 -13.329 -9.497 1.00 0.00 ? 22 ILE A HG22 17 ATOM 9201 H HG23 . ILE A 1 22 ? -6.855 -12.010 -9.424 1.00 0.00 ? 22 ILE A HG23 17 ATOM 9202 H HD11 . ILE A 1 22 ? -7.268 -10.875 -6.909 1.00 0.00 ? 22 ILE A HD11 17 ATOM 9203 H HD12 . ILE A 1 22 ? -7.588 -12.575 -7.345 1.00 0.00 ? 22 ILE A HD12 17 ATOM 9204 H HD13 . ILE A 1 22 ? -7.194 -12.149 -5.674 1.00 0.00 ? 22 ILE A HD13 17 ATOM 9205 N N . THR A 1 23 ? -2.712 -9.904 -9.829 1.00 0.00 ? 23 THR A N 17 ATOM 9206 C CA . THR A 1 23 ? -2.383 -9.061 -10.996 1.00 0.00 ? 23 THR A CA 17 ATOM 9207 C C . THR A 1 23 ? -0.928 -8.597 -11.100 1.00 0.00 ? 23 THR A C 17 ATOM 9208 O O . THR A 1 23 ? -0.530 -8.035 -12.125 1.00 0.00 ? 23 THR A O 17 ATOM 9209 C CB . THR A 1 23 ? -3.348 -7.868 -11.103 1.00 0.00 ? 23 THR A CB 17 ATOM 9210 O OG1 . THR A 1 23 ? -2.978 -6.880 -10.170 1.00 0.00 ? 23 THR A OG1 17 ATOM 9211 C CG2 . THR A 1 23 ? -4.814 -8.198 -10.822 1.00 0.00 ? 23 THR A CG2 17 ATOM 9212 H H . THR A 1 23 ? -2.894 -9.425 -8.954 1.00 0.00 ? 23 THR A H 17 ATOM 9213 H HA . THR A 1 23 ? -2.556 -9.655 -11.893 1.00 0.00 ? 23 THR A HA 17 ATOM 9214 H HB . THR A 1 23 ? -3.273 -7.445 -12.106 1.00 0.00 ? 23 THR A HB 17 ATOM 9215 H HG1 . THR A 1 23 ? -3.800 -6.447 -9.910 1.00 0.00 ? 23 THR A HG1 17 ATOM 9216 H HG21 . THR A 1 23 ? -5.121 -9.039 -11.443 1.00 0.00 ? 23 THR A HG21 17 ATOM 9217 H HG22 . THR A 1 23 ? -4.955 -8.451 -9.773 1.00 0.00 ? 23 THR A HG22 17 ATOM 9218 H HG23 . THR A 1 23 ? -5.432 -7.334 -11.067 1.00 0.00 ? 23 THR A HG23 17 ATOM 9219 N N . ASN A 1 24 ? -0.128 -8.828 -10.055 1.00 0.00 ? 24 ASN A N 17 ATOM 9220 C CA . ASN A 1 24 ? 1.242 -8.331 -9.871 1.00 0.00 ? 24 ASN A CA 17 ATOM 9221 C C . ASN A 1 24 ? 1.379 -6.788 -9.849 1.00 0.00 ? 24 ASN A C 17 ATOM 9222 O O . ASN A 1 24 ? 2.494 -6.266 -9.951 1.00 0.00 ? 24 ASN A O 17 ATOM 9223 C CB . ASN A 1 24 ? 2.219 -9.045 -10.829 1.00 0.00 ? 24 ASN A CB 17 ATOM 9224 C CG . ASN A 1 24 ? 2.209 -10.555 -10.658 1.00 0.00 ? 24 ASN A CG 17 ATOM 9225 O OD1 . ASN A 1 24 ? 2.557 -11.091 -9.613 1.00 0.00 ? 24 ASN A OD1 17 ATOM 9226 N ND2 . ASN A 1 24 ? 1.855 -11.298 -11.684 1.00 0.00 ? 24 ASN A ND2 17 ATOM 9227 H H . ASN A 1 24 ? -0.547 -9.277 -9.248 1.00 0.00 ? 24 ASN A H 17 ATOM 9228 H HA . ASN A 1 24 ? 1.530 -8.632 -8.863 1.00 0.00 ? 24 ASN A HA 17 ATOM 9229 H HB2 . ASN A 1 24 ? 1.976 -8.787 -11.861 1.00 0.00 ? 24 ASN A HB2 17 ATOM 9230 H HB3 . ASN A 1 24 ? 3.235 -8.706 -10.621 1.00 0.00 ? 24 ASN A HB3 17 ATOM 9231 H HD21 . ASN A 1 24 ? 1.579 -10.859 -12.553 1.00 0.00 ? 24 ASN A HD21 17 ATOM 9232 H HD22 . ASN A 1 24 ? 1.862 -12.303 -11.573 1.00 0.00 ? 24 ASN A HD22 17 ATOM 9233 N N . ALA A 1 25 ? 0.274 -6.044 -9.705 1.00 0.00 ? 25 ALA A N 17 ATOM 9234 C CA . ALA A 1 25 ? 0.301 -4.593 -9.510 1.00 0.00 ? 25 ALA A CA 17 ATOM 9235 C C . ALA A 1 25 ? 0.924 -4.197 -8.152 1.00 0.00 ? 25 ALA A C 17 ATOM 9236 O O . ALA A 1 25 ? 0.838 -4.943 -7.175 1.00 0.00 ? 25 ALA A O 17 ATOM 9237 C CB . ALA A 1 25 ? -1.125 -4.046 -9.656 1.00 0.00 ? 25 ALA A CB 17 ATOM 9238 H H . ALA A 1 25 ? -0.624 -6.512 -9.660 1.00 0.00 ? 25 ALA A H 17 ATOM 9239 H HA . ALA A 1 25 ? 0.912 -4.150 -10.298 1.00 0.00 ? 25 ALA A HA 17 ATOM 9240 H HB1 . ALA A 1 25 ? -1.532 -4.326 -10.629 1.00 0.00 ? 25 ALA A HB1 17 ATOM 9241 H HB2 . ALA A 1 25 ? -1.763 -4.446 -8.868 1.00 0.00 ? 25 ALA A HB2 17 ATOM 9242 H HB3 . ALA A 1 25 ? -1.112 -2.958 -9.582 1.00 0.00 ? 25 ALA A HB3 17 ATOM 9243 N N . SER A 1 26 ? 1.514 -3.001 -8.074 1.00 0.00 ? 26 SER A N 17 ATOM 9244 C CA . SER A 1 26 ? 2.055 -2.409 -6.837 1.00 0.00 ? 26 SER A CA 17 ATOM 9245 C C . SER A 1 26 ? 1.761 -0.904 -6.744 1.00 0.00 ? 26 SER A C 17 ATOM 9246 O O . SER A 1 26 ? 1.665 -0.220 -7.767 1.00 0.00 ? 26 SER A O 17 ATOM 9247 C CB . SER A 1 26 ? 3.560 -2.670 -6.681 1.00 0.00 ? 26 SER A CB 17 ATOM 9248 O OG . SER A 1 26 ? 4.306 -2.178 -7.784 1.00 0.00 ? 26 SER A OG 17 ATOM 9249 H H . SER A 1 26 ? 1.525 -2.420 -8.902 1.00 0.00 ? 26 SER A H 17 ATOM 9250 H HA . SER A 1 26 ? 1.572 -2.898 -5.994 1.00 0.00 ? 26 SER A HA 17 ATOM 9251 H HB2 . SER A 1 26 ? 3.909 -2.183 -5.768 1.00 0.00 ? 26 SER A HB2 17 ATOM 9252 H HB3 . SER A 1 26 ? 3.737 -3.738 -6.571 1.00 0.00 ? 26 SER A HB3 17 ATOM 9253 H HG . SER A 1 26 ? 4.139 -2.762 -8.537 1.00 0.00 ? 26 SER A HG 17 ATOM 9254 N N . GLN A 1 27 ? 1.620 -0.383 -5.521 1.00 0.00 ? 27 GLN A N 17 ATOM 9255 C CA . GLN A 1 27 ? 1.365 1.039 -5.245 1.00 0.00 ? 27 GLN A CA 17 ATOM 9256 C C . GLN A 1 27 ? 1.861 1.467 -3.856 1.00 0.00 ? 27 GLN A C 17 ATOM 9257 O O . GLN A 1 27 ? 1.795 0.700 -2.894 1.00 0.00 ? 27 GLN A O 17 ATOM 9258 C CB . GLN A 1 27 ? -0.147 1.347 -5.369 1.00 0.00 ? 27 GLN A CB 17 ATOM 9259 C CG . GLN A 1 27 ? -0.516 2.195 -6.598 1.00 0.00 ? 27 GLN A CG 17 ATOM 9260 C CD . GLN A 1 27 ? 0.028 3.627 -6.570 1.00 0.00 ? 27 GLN A CD 17 ATOM 9261 O OE1 . GLN A 1 27 ? 0.622 4.101 -5.609 1.00 0.00 ? 27 GLN A OE1 17 ATOM 9262 N NE2 . GLN A 1 27 ? -0.153 4.380 -7.634 1.00 0.00 ? 27 GLN A NE2 17 ATOM 9263 H H . GLN A 1 27 ? 1.687 -1.007 -4.722 1.00 0.00 ? 27 GLN A H 17 ATOM 9264 H HA . GLN A 1 27 ? 1.911 1.635 -5.978 1.00 0.00 ? 27 GLN A HA 17 ATOM 9265 H HB2 . GLN A 1 27 ? -0.713 0.416 -5.406 1.00 0.00 ? 27 GLN A HB2 17 ATOM 9266 H HB3 . GLN A 1 27 ? -0.484 1.886 -4.485 1.00 0.00 ? 27 GLN A HB3 17 ATOM 9267 H HG2 . GLN A 1 27 ? -0.164 1.697 -7.500 1.00 0.00 ? 27 GLN A HG2 17 ATOM 9268 H HG3 . GLN A 1 27 ? -1.603 2.253 -6.655 1.00 0.00 ? 27 GLN A HG3 17 ATOM 9269 H HE21 . GLN A 1 27 ? -0.640 4.013 -8.442 1.00 0.00 ? 27 GLN A HE21 17 ATOM 9270 H HE22 . GLN A 1 27 ? 0.203 5.327 -7.612 1.00 0.00 ? 27 GLN A HE22 17 ATOM 9271 N N . PHE A 1 28 ? 2.326 2.711 -3.744 1.00 0.00 ? 28 PHE A N 17 ATOM 9272 C CA . PHE A 1 28 ? 2.635 3.366 -2.469 1.00 0.00 ? 28 PHE A CA 17 ATOM 9273 C C . PHE A 1 28 ? 1.410 3.945 -1.742 1.00 0.00 ? 28 PHE A C 17 ATOM 9274 O O . PHE A 1 28 ? 1.353 3.970 -0.512 1.00 0.00 ? 28 PHE A O 17 ATOM 9275 C CB . PHE A 1 28 ? 3.737 4.417 -2.662 1.00 0.00 ? 28 PHE A CB 17 ATOM 9276 C CG . PHE A 1 28 ? 5.118 3.840 -2.914 1.00 0.00 ? 28 PHE A CG 17 ATOM 9277 C CD1 . PHE A 1 28 ? 5.585 3.679 -4.233 1.00 0.00 ? 28 PHE A CD1 17 ATOM 9278 C CD2 . PHE A 1 28 ? 5.946 3.481 -1.832 1.00 0.00 ? 28 PHE A CD2 17 ATOM 9279 C CE1 . PHE A 1 28 ? 6.873 3.166 -4.471 1.00 0.00 ? 28 PHE A CE1 17 ATOM 9280 C CE2 . PHE A 1 28 ? 7.238 2.976 -2.072 1.00 0.00 ? 28 PHE A CE2 17 ATOM 9281 C CZ . PHE A 1 28 ? 7.701 2.817 -3.390 1.00 0.00 ? 28 PHE A CZ 17 ATOM 9282 H H . PHE A 1 28 ? 2.300 3.295 -4.571 1.00 0.00 ? 28 PHE A H 17 ATOM 9283 H HA . PHE A 1 28 ? 3.043 2.612 -1.793 1.00 0.00 ? 28 PHE A HA 17 ATOM 9284 H HB2 . PHE A 1 28 ? 3.460 5.080 -3.487 1.00 0.00 ? 28 PHE A HB2 17 ATOM 9285 H HB3 . PHE A 1 28 ? 3.793 5.023 -1.753 1.00 0.00 ? 28 PHE A HB3 17 ATOM 9286 H HD1 . PHE A 1 28 ? 4.953 3.952 -5.068 1.00 0.00 ? 28 PHE A HD1 17 ATOM 9287 H HD2 . PHE A 1 28 ? 5.595 3.598 -0.816 1.00 0.00 ? 28 PHE A HD2 17 ATOM 9288 H HE1 . PHE A 1 28 ? 7.228 3.043 -5.485 1.00 0.00 ? 28 PHE A HE1 17 ATOM 9289 H HE2 . PHE A 1 28 ? 7.876 2.710 -1.242 1.00 0.00 ? 28 PHE A HE2 17 ATOM 9290 H HZ . PHE A 1 28 ? 8.695 2.428 -3.571 1.00 0.00 ? 28 PHE A HZ 17 ATOM 9291 N N . GLU A 1 29 ? 0.416 4.395 -2.514 1.00 0.00 ? 29 GLU A N 17 ATOM 9292 C CA . GLU A 1 29 ? -0.889 4.863 -2.033 1.00 0.00 ? 29 GLU A CA 17 ATOM 9293 C C . GLU A 1 29 ? -1.846 3.685 -1.765 1.00 0.00 ? 29 GLU A C 17 ATOM 9294 O O . GLU A 1 29 ? -1.833 2.690 -2.497 1.00 0.00 ? 29 GLU A O 17 ATOM 9295 C CB . GLU A 1 29 ? -1.465 5.846 -3.069 1.00 0.00 ? 29 GLU A CB 17 ATOM 9296 C CG . GLU A 1 29 ? -2.808 6.467 -2.648 1.00 0.00 ? 29 GLU A CG 17 ATOM 9297 C CD . GLU A 1 29 ? -3.307 7.587 -3.589 1.00 0.00 ? 29 GLU A CD 17 ATOM 9298 O OE1 . GLU A 1 29 ? -2.620 7.955 -4.575 1.00 0.00 ? 29 GLU A OE1 17 ATOM 9299 O OE2 . GLU A 1 29 ? -4.416 8.122 -3.340 1.00 0.00 ? 29 GLU A OE2 17 ATOM 9300 H H . GLU A 1 29 ? 0.530 4.309 -3.520 1.00 0.00 ? 29 GLU A H 17 ATOM 9301 H HA . GLU A 1 29 ? -0.749 5.406 -1.095 1.00 0.00 ? 29 GLU A HA 17 ATOM 9302 H HB2 . GLU A 1 29 ? -0.738 6.648 -3.210 1.00 0.00 ? 29 GLU A HB2 17 ATOM 9303 H HB3 . GLU A 1 29 ? -1.597 5.324 -4.019 1.00 0.00 ? 29 GLU A HB3 17 ATOM 9304 H HG2 . GLU A 1 29 ? -3.563 5.681 -2.612 1.00 0.00 ? 29 GLU A HG2 17 ATOM 9305 H HG3 . GLU A 1 29 ? -2.698 6.876 -1.641 1.00 0.00 ? 29 GLU A HG3 17 ATOM 9306 N N . ARG A 1 30 ? -2.706 3.790 -0.741 1.00 0.00 ? 30 ARG A N 17 ATOM 9307 C CA . ARG A 1 30 ? -3.699 2.753 -0.409 1.00 0.00 ? 30 ARG A CA 17 ATOM 9308 C C . ARG A 1 30 ? -4.685 2.529 -1.582 1.00 0.00 ? 30 ARG A C 17 ATOM 9309 O O . ARG A 1 30 ? -5.342 3.490 -1.997 1.00 0.00 ? 30 ARG A O 17 ATOM 9310 C CB . ARG A 1 30 ? -4.355 3.097 0.943 1.00 0.00 ? 30 ARG A CB 17 ATOM 9311 C CG . ARG A 1 30 ? -5.438 2.101 1.390 1.00 0.00 ? 30 ARG A CG 17 ATOM 9312 C CD . ARG A 1 30 ? -6.847 2.538 0.958 1.00 0.00 ? 30 ARG A CD 17 ATOM 9313 N NE . ARG A 1 30 ? -7.666 1.407 0.493 1.00 0.00 ? 30 ARG A NE 17 ATOM 9314 C CZ . ARG A 1 30 ? -8.324 0.522 1.214 1.00 0.00 ? 30 ARG A CZ 17 ATOM 9315 N NH1 . ARG A 1 30 ? -9.084 -0.351 0.624 1.00 0.00 ? 30 ARG A NH1 17 ATOM 9316 N NH2 . ARG A 1 30 ? -8.248 0.459 2.512 1.00 0.00 ? 30 ARG A NH2 17 ATOM 9317 H H . ARG A 1 30 ? -2.687 4.633 -0.182 1.00 0.00 ? 30 ARG A H 17 ATOM 9318 H HA . ARG A 1 30 ? -3.144 1.830 -0.253 1.00 0.00 ? 30 ARG A HA 17 ATOM 9319 H HB2 . ARG A 1 30 ? -3.566 3.092 1.696 1.00 0.00 ? 30 ARG A HB2 17 ATOM 9320 H HB3 . ARG A 1 30 ? -4.772 4.105 0.911 1.00 0.00 ? 30 ARG A HB3 17 ATOM 9321 H HG2 . ARG A 1 30 ? -5.206 1.111 0.990 1.00 0.00 ? 30 ARG A HG2 17 ATOM 9322 H HG3 . ARG A 1 30 ? -5.427 2.039 2.480 1.00 0.00 ? 30 ARG A HG3 17 ATOM 9323 H HD2 . ARG A 1 30 ? -7.340 3.048 1.789 1.00 0.00 ? 30 ARG A HD2 17 ATOM 9324 H HD3 . ARG A 1 30 ? -6.775 3.256 0.141 1.00 0.00 ? 30 ARG A HD3 17 ATOM 9325 H HE . ARG A 1 30 ? -7.723 1.272 -0.511 1.00 0.00 ? 30 ARG A HE 17 ATOM 9326 H HH11 . ARG A 1 30 ? -9.597 -1.013 1.187 1.00 0.00 ? 30 ARG A HH11 17 ATOM 9327 H HH12 . ARG A 1 30 ? -9.201 -0.309 -0.375 1.00 0.00 ? 30 ARG A HH12 17 ATOM 9328 H HH21 . ARG A 1 30 ? -7.671 1.114 3.010 1.00 0.00 ? 30 ARG A HH21 17 ATOM 9329 H HH22 . ARG A 1 30 ? -8.690 -0.316 2.990 1.00 0.00 ? 30 ARG A HH22 17 ATOM 9330 N N . PRO A 1 31 ? -4.793 1.307 -2.143 1.00 0.00 ? 31 PRO A N 17 ATOM 9331 C CA . PRO A 1 31 ? -5.526 1.034 -3.386 1.00 0.00 ? 31 PRO A CA 17 ATOM 9332 C C . PRO A 1 31 ? -7.055 1.078 -3.236 1.00 0.00 ? 31 PRO A C 17 ATOM 9333 O O . PRO A 1 31 ? -7.613 0.640 -2.227 1.00 0.00 ? 31 PRO A O 17 ATOM 9334 C CB . PRO A 1 31 ? -5.048 -0.351 -3.846 1.00 0.00 ? 31 PRO A CB 17 ATOM 9335 C CG . PRO A 1 31 ? -4.679 -1.036 -2.532 1.00 0.00 ? 31 PRO A CG 17 ATOM 9336 C CD . PRO A 1 31 ? -4.086 0.108 -1.722 1.00 0.00 ? 31 PRO A CD 17 ATOM 9337 H HA . PRO A 1 31 ? -5.234 1.767 -4.140 1.00 0.00 ? 31 PRO A HA 17 ATOM 9338 H HB2 . PRO A 1 31 ? -5.818 -0.902 -4.388 1.00 0.00 ? 31 PRO A HB2 17 ATOM 9339 H HB3 . PRO A 1 31 ? -4.152 -0.243 -4.461 1.00 0.00 ? 31 PRO A HB3 17 ATOM 9340 H HG2 . PRO A 1 31 ? -5.580 -1.404 -2.042 1.00 0.00 ? 31 PRO A HG2 17 ATOM 9341 H HG3 . PRO A 1 31 ? -3.956 -1.837 -2.670 1.00 0.00 ? 31 PRO A HG3 17 ATOM 9342 H HD2 . PRO A 1 31 ? -4.213 -0.079 -0.656 1.00 0.00 ? 31 PRO A HD2 17 ATOM 9343 H HD3 . PRO A 1 31 ? -3.030 0.215 -1.964 1.00 0.00 ? 31 PRO A HD3 17 ATOM 9344 N N . SER A 1 32 ? -7.738 1.561 -4.277 1.00 0.00 ? 32 SER A N 17 ATOM 9345 C CA . SER A 1 32 ? -9.209 1.593 -4.390 1.00 0.00 ? 32 SER A CA 17 ATOM 9346 C C . SER A 1 32 ? -9.801 0.460 -5.250 1.00 0.00 ? 32 SER A C 17 ATOM 9347 O O . SER A 1 32 ? -10.991 0.154 -5.121 1.00 0.00 ? 32 SER A O 17 ATOM 9348 C CB . SER A 1 32 ? -9.643 2.955 -4.944 1.00 0.00 ? 32 SER A CB 17 ATOM 9349 O OG . SER A 1 32 ? -9.068 3.190 -6.222 1.00 0.00 ? 32 SER A OG 17 ATOM 9350 H H . SER A 1 32 ? -7.215 1.949 -5.051 1.00 0.00 ? 32 SER A H 17 ATOM 9351 H HA . SER A 1 32 ? -9.646 1.496 -3.396 1.00 0.00 ? 32 SER A HA 17 ATOM 9352 H HB2 . SER A 1 32 ? -10.731 2.985 -5.020 1.00 0.00 ? 32 SER A HB2 17 ATOM 9353 H HB3 . SER A 1 32 ? -9.321 3.738 -4.255 1.00 0.00 ? 32 SER A HB3 17 ATOM 9354 H HG . SER A 1 32 ? -9.362 4.062 -6.525 1.00 0.00 ? 32 SER A HG 17 ATOM 9355 N N . GLY A 1 33 ? -8.991 -0.183 -6.105 1.00 0.00 ? 33 GLY A N 17 ATOM 9356 C CA . GLY A 1 33 ? -9.392 -1.283 -7.000 1.00 0.00 ? 33 GLY A CA 17 ATOM 9357 C C . GLY A 1 33 ? -8.280 -1.711 -7.956 1.00 0.00 ? 33 GLY A C 17 ATOM 9358 O O . GLY A 1 33 ? -7.616 -2.731 -7.673 1.00 0.00 ? 33 GLY A O 17 ATOM 9359 O OXT . GLY A 1 33 ? -8.085 -1.019 -8.980 1.00 0.00 ? 33 GLY A OXT 17 ATOM 9360 H H . GLY A 1 33 ? -8.035 0.137 -6.161 1.00 0.00 ? 33 GLY A H 17 ATOM 9361 H HA2 . GLY A 1 33 ? -9.684 -2.150 -6.408 1.00 0.00 ? 33 GLY A HA2 17 ATOM 9362 H HA3 . GLY A 1 33 ? -10.250 -0.976 -7.597 1.00 0.00 ? 33 GLY A HA3 17 HETATM 9363 C C1 . GAL B 2 . ? 12.827 2.154 0.254 1.00 0.00 ? 101 GAL A C1 17 HETATM 9364 C C2 . GAL B 2 . ? 12.544 3.572 -0.296 1.00 0.00 ? 101 GAL A C2 17 HETATM 9365 C C3 . GAL B 2 . ? 11.693 3.487 -1.578 1.00 0.00 ? 101 GAL A C3 17 HETATM 9366 C C4 . GAL B 2 . ? 12.335 2.556 -2.618 1.00 0.00 ? 101 GAL A C4 17 HETATM 9367 C C5 . GAL B 2 . ? 12.598 1.167 -2.005 1.00 0.00 ? 101 GAL A C5 17 HETATM 9368 C C6 . GAL B 2 . ? 13.267 0.168 -2.962 1.00 0.00 ? 101 GAL A C6 17 HETATM 9369 O O2 . GAL B 2 . ? 11.824 4.360 0.690 1.00 0.00 ? 101 GAL A O2 17 HETATM 9370 O O3 . GAL B 2 . ? 11.564 4.805 -2.173 1.00 0.00 ? 101 GAL A O3 17 HETATM 9371 O O4 . GAL B 2 . ? 13.589 3.147 -3.044 1.00 0.00 ? 101 GAL A O4 17 HETATM 9372 O O5 . GAL B 2 . ? 13.430 1.312 -0.785 1.00 0.00 ? 101 GAL A O5 17 HETATM 9373 O O6 . GAL B 2 . ? 14.635 0.565 -3.193 1.00 0.00 ? 101 GAL A O6 17 HETATM 9374 H H1 . GAL B 2 . ? 11.896 1.692 0.582 1.00 0.00 ? 101 GAL A H1 17 HETATM 9375 H H2 . GAL B 2 . ? 13.491 4.068 -0.516 1.00 0.00 ? 101 GAL A H2 17 HETATM 9376 H H3 . GAL B 2 . ? 10.698 3.114 -1.327 1.00 0.00 ? 101 GAL A H3 17 HETATM 9377 H H4 . GAL B 2 . ? 11.679 2.453 -3.483 1.00 0.00 ? 101 GAL A H4 17 HETATM 9378 H H5 . GAL B 2 . ? 11.637 0.751 -1.714 1.00 0.00 ? 101 GAL A H5 17 HETATM 9379 H H61 . GAL B 2 . ? 13.260 -0.829 -2.519 1.00 0.00 ? 101 GAL A H61 17 HETATM 9380 H H62 . GAL B 2 . ? 12.729 0.137 -3.912 1.00 0.00 ? 101 GAL A H62 17 HETATM 9381 H HO2 . GAL B 2 . ? 11.626 5.211 0.268 1.00 0.00 ? 101 GAL A HO2 17 HETATM 9382 H HO3 . GAL B 2 . ? 12.360 4.937 -2.716 1.00 0.00 ? 101 GAL A HO3 17 HETATM 9383 H HO4 . GAL B 2 . ? 14.166 2.422 -3.351 1.00 0.00 ? 101 GAL A HO4 17 HETATM 9384 H HO6 . GAL B 2 . ? 15.098 0.496 -2.344 1.00 0.00 ? 101 GAL A HO6 17 ATOM 9385 N N . LYS A 1 1 ? -11.543 -4.855 3.481 1.00 0.00 ? 1 LYS A N 18 ATOM 9386 C CA . LYS A 1 1 ? -10.903 -3.510 3.536 1.00 0.00 ? 1 LYS A CA 18 ATOM 9387 C C . LYS A 1 1 ? -10.218 -3.128 2.218 1.00 0.00 ? 1 LYS A C 18 ATOM 9388 O O . LYS A 1 1 ? -10.623 -2.146 1.592 1.00 0.00 ? 1 LYS A O 18 ATOM 9389 C CB . LYS A 1 1 ? -10.010 -3.302 4.785 1.00 0.00 ? 1 LYS A CB 18 ATOM 9390 C CG . LYS A 1 1 ? -8.882 -4.329 5.018 1.00 0.00 ? 1 LYS A CG 18 ATOM 9391 C CD . LYS A 1 1 ? -8.084 -3.980 6.285 1.00 0.00 ? 1 LYS A CD 18 ATOM 9392 C CE . LYS A 1 1 ? -6.886 -4.915 6.509 1.00 0.00 ? 1 LYS A CE 18 ATOM 9393 N NZ . LYS A 1 1 ? -7.301 -6.305 6.839 1.00 0.00 ? 1 LYS A NZ 18 ATOM 9394 H H1 . LYS A 1 1 ? -10.858 -5.588 3.381 1.00 0.00 ? 1 LYS A H1 18 ATOM 9395 H H2 . LYS A 1 1 ? -12.069 -5.025 4.325 1.00 0.00 ? 1 LYS A H2 18 ATOM 9396 H H3 . LYS A 1 1 ? -12.184 -4.910 2.702 1.00 0.00 ? 1 LYS A H3 18 ATOM 9397 H HA . LYS A 1 1 ? -11.713 -2.786 3.632 1.00 0.00 ? 1 LYS A HA 18 ATOM 9398 H HB2 . LYS A 1 1 ? -9.568 -2.305 4.726 1.00 0.00 ? 1 LYS A HB2 18 ATOM 9399 H HB3 . LYS A 1 1 ? -10.659 -3.313 5.662 1.00 0.00 ? 1 LYS A HB3 18 ATOM 9400 H HG2 . LYS A 1 1 ? -9.313 -5.325 5.124 1.00 0.00 ? 1 LYS A HG2 18 ATOM 9401 H HG3 . LYS A 1 1 ? -8.195 -4.325 4.174 1.00 0.00 ? 1 LYS A HG3 18 ATOM 9402 H HD2 . LYS A 1 1 ? -7.701 -2.962 6.190 1.00 0.00 ? 1 LYS A HD2 18 ATOM 9403 H HD3 . LYS A 1 1 ? -8.740 -4.014 7.157 1.00 0.00 ? 1 LYS A HD3 18 ATOM 9404 H HE2 . LYS A 1 1 ? -6.261 -4.913 5.610 1.00 0.00 ? 1 LYS A HE2 18 ATOM 9405 H HE3 . LYS A 1 1 ? -6.286 -4.513 7.330 1.00 0.00 ? 1 LYS A HE3 18 ATOM 9406 H HZ1 . LYS A 1 1 ? -7.877 -6.327 7.670 1.00 0.00 ? 1 LYS A HZ1 18 ATOM 9407 H HZ2 . LYS A 1 1 ? -7.823 -6.728 6.084 1.00 0.00 ? 1 LYS A HZ2 18 ATOM 9408 H HZ3 . LYS A 1 1 ? -6.494 -6.889 7.016 1.00 0.00 ? 1 LYS A HZ3 18 ATOM 9409 N N . LEU A 1 2 ? -9.195 -3.869 1.776 1.00 0.00 ? 2 LEU A N 18 ATOM 9410 C CA . LEU A 1 2 ? -8.524 -3.684 0.477 1.00 0.00 ? 2 LEU A CA 18 ATOM 9411 C C . LEU A 1 2 ? -9.319 -4.341 -0.681 1.00 0.00 ? 2 LEU A C 18 ATOM 9412 O O . LEU A 1 2 ? -10.138 -5.232 -0.419 1.00 0.00 ? 2 LEU A O 18 ATOM 9413 C CB . LEU A 1 2 ? -7.089 -4.246 0.568 1.00 0.00 ? 2 LEU A CB 18 ATOM 9414 C CG . LEU A 1 2 ? -6.142 -3.448 1.485 1.00 0.00 ? 2 LEU A CG 18 ATOM 9415 C CD1 . LEU A 1 2 ? -4.827 -4.208 1.667 1.00 0.00 ? 2 LEU A CD1 18 ATOM 9416 C CD2 . LEU A 1 2 ? -5.803 -2.075 0.901 1.00 0.00 ? 2 LEU A CD2 18 ATOM 9417 H H . LEU A 1 2 ? -8.899 -4.660 2.330 1.00 0.00 ? 2 LEU A H 18 ATOM 9418 H HA . LEU A 1 2 ? -8.467 -2.618 0.274 1.00 0.00 ? 2 LEU A HA 18 ATOM 9419 H HB2 . LEU A 1 2 ? -7.146 -5.278 0.926 1.00 0.00 ? 2 LEU A HB2 18 ATOM 9420 H HB3 . LEU A 1 2 ? -6.650 -4.258 -0.429 1.00 0.00 ? 2 LEU A HB3 18 ATOM 9421 H HG . LEU A 1 2 ? -6.600 -3.314 2.465 1.00 0.00 ? 2 LEU A HG 18 ATOM 9422 H HD11 . LEU A 1 2 ? -4.170 -3.653 2.337 1.00 0.00 ? 2 LEU A HD11 18 ATOM 9423 H HD12 . LEU A 1 2 ? -5.028 -5.186 2.105 1.00 0.00 ? 2 LEU A HD12 18 ATOM 9424 H HD13 . LEU A 1 2 ? -4.335 -4.338 0.703 1.00 0.00 ? 2 LEU A HD13 18 ATOM 9425 H HD21 . LEU A 1 2 ? -5.121 -1.551 1.571 1.00 0.00 ? 2 LEU A HD21 18 ATOM 9426 H HD22 . LEU A 1 2 ? -5.324 -2.197 -0.070 1.00 0.00 ? 2 LEU A HD22 18 ATOM 9427 H HD23 . LEU A 1 2 ? -6.701 -1.470 0.794 1.00 0.00 ? 2 LEU A HD23 18 ATOM 9428 N N . PRO A 1 3 ? -9.098 -3.942 -1.953 1.00 0.00 ? 3 PRO A N 18 ATOM 9429 C CA . PRO A 1 3 ? -9.720 -4.578 -3.123 1.00 0.00 ? 3 PRO A CA 18 ATOM 9430 C C . PRO A 1 3 ? -9.185 -6.011 -3.360 1.00 0.00 ? 3 PRO A C 18 ATOM 9431 O O . PRO A 1 3 ? -8.168 -6.392 -2.765 1.00 0.00 ? 3 PRO A O 18 ATOM 9432 C CB . PRO A 1 3 ? -9.443 -3.638 -4.310 1.00 0.00 ? 3 PRO A CB 18 ATOM 9433 C CG . PRO A 1 3 ? -8.852 -2.370 -3.697 1.00 0.00 ? 3 PRO A CG 18 ATOM 9434 C CD . PRO A 1 3 ? -8.232 -2.862 -2.398 1.00 0.00 ? 3 PRO A CD 18 ATOM 9435 H HA . PRO A 1 3 ? -10.797 -4.628 -2.961 1.00 0.00 ? 3 PRO A HA 18 ATOM 9436 H HB2 . PRO A 1 3 ? -8.721 -4.083 -4.994 1.00 0.00 ? 3 PRO A HB2 18 ATOM 9437 H HB3 . PRO A 1 3 ? -10.365 -3.402 -4.844 1.00 0.00 ? 3 PRO A HB3 18 ATOM 9438 H HG2 . PRO A 1 3 ? -8.104 -1.918 -4.349 1.00 0.00 ? 3 PRO A HG2 18 ATOM 9439 H HG3 . PRO A 1 3 ? -9.652 -1.662 -3.474 1.00 0.00 ? 3 PRO A HG3 18 ATOM 9440 H HD2 . PRO A 1 3 ? -7.237 -3.256 -2.601 1.00 0.00 ? 3 PRO A HD2 18 ATOM 9441 H HD3 . PRO A 1 3 ? -8.172 -2.041 -1.685 1.00 0.00 ? 3 PRO A HD3 18 ATOM 9442 N N . PRO A 1 4 ? -9.822 -6.832 -4.220 1.00 0.00 ? 4 PRO A N 18 ATOM 9443 C CA . PRO A 1 4 ? -9.451 -8.239 -4.402 1.00 0.00 ? 4 PRO A CA 18 ATOM 9444 C C . PRO A 1 4 ? -7.991 -8.428 -4.852 1.00 0.00 ? 4 PRO A C 18 ATOM 9445 O O . PRO A 1 4 ? -7.520 -7.807 -5.810 1.00 0.00 ? 4 PRO A O 18 ATOM 9446 C CB . PRO A 1 4 ? -10.457 -8.819 -5.405 1.00 0.00 ? 4 PRO A CB 18 ATOM 9447 C CG . PRO A 1 4 ? -10.992 -7.590 -6.137 1.00 0.00 ? 4 PRO A CG 18 ATOM 9448 C CD . PRO A 1 4 ? -10.962 -6.506 -5.063 1.00 0.00 ? 4 PRO A CD 18 ATOM 9449 H HA . PRO A 1 4 ? -9.591 -8.759 -3.455 1.00 0.00 ? 4 PRO A HA 18 ATOM 9450 H HB2 . PRO A 1 4 ? -9.994 -9.528 -6.094 1.00 0.00 ? 4 PRO A HB2 18 ATOM 9451 H HB3 . PRO A 1 4 ? -11.272 -9.298 -4.860 1.00 0.00 ? 4 PRO A HB3 18 ATOM 9452 H HG2 . PRO A 1 4 ? -10.316 -7.322 -6.950 1.00 0.00 ? 4 PRO A HG2 18 ATOM 9453 H HG3 . PRO A 1 4 ? -12.002 -7.758 -6.511 1.00 0.00 ? 4 PRO A HG3 18 ATOM 9454 H HD2 . PRO A 1 4 ? -10.857 -5.531 -5.538 1.00 0.00 ? 4 PRO A HD2 18 ATOM 9455 H HD3 . PRO A 1 4 ? -11.877 -6.545 -4.470 1.00 0.00 ? 4 PRO A HD3 18 ATOM 9456 N N . GLY A 1 5 ? -7.271 -9.302 -4.142 1.00 0.00 ? 5 GLY A N 18 ATOM 9457 C CA . GLY A 1 5 ? -5.856 -9.624 -4.364 1.00 0.00 ? 5 GLY A CA 18 ATOM 9458 C C . GLY A 1 5 ? -4.842 -8.659 -3.735 1.00 0.00 ? 5 GLY A C 18 ATOM 9459 O O . GLY A 1 5 ? -3.670 -9.021 -3.622 1.00 0.00 ? 5 GLY A O 18 ATOM 9460 H H . GLY A 1 5 ? -7.734 -9.769 -3.373 1.00 0.00 ? 5 GLY A H 18 ATOM 9461 H HA2 . GLY A 1 5 ? -5.660 -10.617 -3.958 1.00 0.00 ? 5 GLY A HA2 18 ATOM 9462 H HA3 . GLY A 1 5 ? -5.665 -9.640 -5.438 1.00 0.00 ? 5 GLY A HA3 18 ATOM 9463 N N . TRP A 1 6 ? -5.251 -7.462 -3.302 1.00 0.00 ? 6 TRP A N 18 ATOM 9464 C CA . TRP A 1 6 ? -4.368 -6.491 -2.641 1.00 0.00 ? 6 TRP A CA 18 ATOM 9465 C C . TRP A 1 6 ? -4.049 -6.831 -1.178 1.00 0.00 ? 6 TRP A C 18 ATOM 9466 O O . TRP A 1 6 ? -4.926 -7.225 -0.406 1.00 0.00 ? 6 TRP A O 18 ATOM 9467 C CB . TRP A 1 6 ? -4.934 -5.074 -2.752 1.00 0.00 ? 6 TRP A CB 18 ATOM 9468 C CG . TRP A 1 6 ? -4.911 -4.444 -4.111 1.00 0.00 ? 6 TRP A CG 18 ATOM 9469 C CD1 . TRP A 1 6 ? -5.874 -4.582 -5.049 1.00 0.00 ? 6 TRP A CD1 18 ATOM 9470 C CD2 . TRP A 1 6 ? -3.808 -3.762 -4.788 1.00 0.00 ? 6 TRP A CD2 18 ATOM 9471 N NE1 . TRP A 1 6 ? -5.517 -3.898 -6.193 1.00 0.00 ? 6 TRP A NE1 18 ATOM 9472 C CE2 . TRP A 1 6 ? -4.242 -3.386 -6.096 1.00 0.00 ? 6 TRP A CE2 18 ATOM 9473 C CE3 . TRP A 1 6 ? -2.500 -3.388 -4.415 1.00 0.00 ? 6 TRP A CE3 18 ATOM 9474 C CZ2 . TRP A 1 6 ? -3.427 -2.664 -6.980 1.00 0.00 ? 6 TRP A CZ2 18 ATOM 9475 C CZ3 . TRP A 1 6 ? -1.671 -2.665 -5.296 1.00 0.00 ? 6 TRP A CZ3 18 ATOM 9476 C CH2 . TRP A 1 6 ? -2.132 -2.300 -6.574 1.00 0.00 ? 6 TRP A CH2 18 ATOM 9477 H H . TRP A 1 6 ? -6.233 -7.231 -3.376 1.00 0.00 ? 6 TRP A H 18 ATOM 9478 H HA . TRP A 1 6 ? -3.417 -6.484 -3.171 1.00 0.00 ? 6 TRP A HA 18 ATOM 9479 H HB2 . TRP A 1 6 ? -5.961 -5.089 -2.392 1.00 0.00 ? 6 TRP A HB2 18 ATOM 9480 H HB3 . TRP A 1 6 ? -4.355 -4.424 -2.092 1.00 0.00 ? 6 TRP A HB3 18 ATOM 9481 H HD1 . TRP A 1 6 ? -6.803 -5.120 -4.903 1.00 0.00 ? 6 TRP A HD1 18 ATOM 9482 H HE1 . TRP A 1 6 ? -6.154 -3.750 -6.983 1.00 0.00 ? 6 TRP A HE1 18 ATOM 9483 H HE3 . TRP A 1 6 ? -2.145 -3.646 -3.427 1.00 0.00 ? 6 TRP A HE3 18 ATOM 9484 H HZ2 . TRP A 1 6 ? -3.793 -2.397 -7.962 1.00 0.00 ? 6 TRP A HZ2 18 ATOM 9485 H HZ3 . TRP A 1 6 ? -0.677 -2.379 -4.987 1.00 0.00 ? 6 TRP A HZ3 18 ATOM 9486 H HH2 . TRP A 1 6 ? -1.490 -1.742 -7.243 1.00 0.00 ? 6 TRP A HH2 18 ATOM 9487 N N . GLU A 1 7 ? -2.796 -6.611 -0.785 1.00 0.00 ? 7 GLU A N 18 ATOM 9488 C CA . GLU A 1 7 ? -2.255 -6.786 0.568 1.00 0.00 ? 7 GLU A CA 18 ATOM 9489 C C . GLU A 1 7 ? -1.194 -5.712 0.884 1.00 0.00 ? 7 GLU A C 18 ATOM 9490 O O . GLU A 1 7 ? -0.578 -5.147 -0.027 1.00 0.00 ? 7 GLU A O 18 ATOM 9491 C CB . GLU A 1 7 ? -1.618 -8.182 0.707 1.00 0.00 ? 7 GLU A CB 18 ATOM 9492 C CG . GLU A 1 7 ? -2.596 -9.363 0.600 1.00 0.00 ? 7 GLU A CG 18 ATOM 9493 C CD . GLU A 1 7 ? -1.936 -10.726 0.907 1.00 0.00 ? 7 GLU A CD 18 ATOM 9494 O OE1 . GLU A 1 7 ? -0.686 -10.819 1.010 1.00 0.00 ? 7 GLU A OE1 18 ATOM 9495 O OE2 . GLU A 1 7 ? -2.679 -11.728 1.054 1.00 0.00 ? 7 GLU A OE2 18 ATOM 9496 H H . GLU A 1 7 ? -2.122 -6.338 -1.494 1.00 0.00 ? 7 GLU A H 18 ATOM 9497 H HA . GLU A 1 7 ? -3.056 -6.692 1.303 1.00 0.00 ? 7 GLU A HA 18 ATOM 9498 H HB2 . GLU A 1 7 ? -0.850 -8.298 -0.060 1.00 0.00 ? 7 GLU A HB2 18 ATOM 9499 H HB3 . GLU A 1 7 ? -1.145 -8.232 1.688 1.00 0.00 ? 7 GLU A HB3 18 ATOM 9500 H HG2 . GLU A 1 7 ? -3.416 -9.197 1.302 1.00 0.00 ? 7 GLU A HG2 18 ATOM 9501 H HG3 . GLU A 1 7 ? -3.009 -9.395 -0.411 1.00 0.00 ? 7 GLU A HG3 18 ATOM 9502 N N . LYS A 1 8 ? -0.944 -5.433 2.171 1.00 0.00 ? 8 LYS A N 18 ATOM 9503 C CA . LYS A 1 8 ? 0.190 -4.594 2.602 1.00 0.00 ? 8 LYS A CA 18 ATOM 9504 C C . LYS A 1 8 ? 1.533 -5.317 2.475 1.00 0.00 ? 8 LYS A C 18 ATOM 9505 O O . LYS A 1 8 ? 1.630 -6.530 2.685 1.00 0.00 ? 8 LYS A O 18 ATOM 9506 C CB . LYS A 1 8 ? -0.010 -4.024 4.016 1.00 0.00 ? 8 LYS A CB 18 ATOM 9507 C CG . LYS A 1 8 ? -0.920 -2.790 3.969 1.00 0.00 ? 8 LYS A CG 18 ATOM 9508 C CD . LYS A 1 8 ? -1.186 -2.182 5.353 1.00 0.00 ? 8 LYS A CD 18 ATOM 9509 C CE . LYS A 1 8 ? 0.069 -1.522 5.944 1.00 0.00 ? 8 LYS A CE 18 ATOM 9510 N NZ . LYS A 1 8 ? -0.212 -0.919 7.273 1.00 0.00 ? 8 LYS A NZ 18 ATOM 9511 H H . LYS A 1 8 ? -1.476 -5.919 2.880 1.00 0.00 ? 8 LYS A H 18 ATOM 9512 H HA . LYS A 1 8 ? 0.255 -3.744 1.919 1.00 0.00 ? 8 LYS A HA 18 ATOM 9513 H HB2 . LYS A 1 8 ? -0.435 -4.787 4.670 1.00 0.00 ? 8 LYS A HB2 18 ATOM 9514 H HB3 . LYS A 1 8 ? 0.959 -3.724 4.420 1.00 0.00 ? 8 LYS A HB3 18 ATOM 9515 H HG2 . LYS A 1 8 ? -0.458 -2.028 3.335 1.00 0.00 ? 8 LYS A HG2 18 ATOM 9516 H HG3 . LYS A 1 8 ? -1.871 -3.084 3.524 1.00 0.00 ? 8 LYS A HG3 18 ATOM 9517 H HD2 . LYS A 1 8 ? -1.966 -1.424 5.249 1.00 0.00 ? 8 LYS A HD2 18 ATOM 9518 H HD3 . LYS A 1 8 ? -1.549 -2.961 6.026 1.00 0.00 ? 8 LYS A HD3 18 ATOM 9519 H HE2 . LYS A 1 8 ? 0.866 -2.265 6.038 1.00 0.00 ? 8 LYS A HE2 18 ATOM 9520 H HE3 . LYS A 1 8 ? 0.416 -0.749 5.252 1.00 0.00 ? 8 LYS A HE3 18 ATOM 9521 H HZ1 . LYS A 1 8 ? -0.930 -0.208 7.208 1.00 0.00 ? 8 LYS A HZ1 18 ATOM 9522 H HZ2 . LYS A 1 8 ? -0.525 -1.617 7.933 1.00 0.00 ? 8 LYS A HZ2 18 ATOM 9523 H HZ3 . LYS A 1 8 ? 0.615 -0.484 7.659 1.00 0.00 ? 8 LYS A HZ3 18 ATOM 9524 N N . ARG A 1 9 ? 2.570 -4.558 2.132 1.00 0.00 ? 9 ARG A N 18 ATOM 9525 C CA . ARG A 1 9 ? 3.947 -5.013 1.870 1.00 0.00 ? 9 ARG A CA 18 ATOM 9526 C C . ARG A 1 9 ? 4.953 -3.989 2.420 1.00 0.00 ? 9 ARG A C 18 ATOM 9527 O O . ARG A 1 9 ? 4.569 -2.871 2.772 1.00 0.00 ? 9 ARG A O 18 ATOM 9528 C CB . ARG A 1 9 ? 4.102 -5.210 0.345 1.00 0.00 ? 9 ARG A CB 18 ATOM 9529 C CG . ARG A 1 9 ? 5.000 -6.403 -0.035 1.00 0.00 ? 9 ARG A CG 18 ATOM 9530 C CD . ARG A 1 9 ? 4.232 -7.697 -0.355 1.00 0.00 ? 9 ARG A CD 18 ATOM 9531 N NE . ARG A 1 9 ? 3.224 -8.041 0.665 1.00 0.00 ? 9 ARG A NE 18 ATOM 9532 C CZ . ARG A 1 9 ? 2.366 -9.044 0.629 1.00 0.00 ? 9 ARG A CZ 18 ATOM 9533 N NH1 . ARG A 1 9 ? 2.366 -9.952 -0.304 1.00 0.00 ? 9 ARG A NH1 18 ATOM 9534 N NH2 . ARG A 1 9 ? 1.464 -9.143 1.552 1.00 0.00 ? 9 ARG A NH2 18 ATOM 9535 H H . ARG A 1 9 ? 2.376 -3.569 1.995 1.00 0.00 ? 9 ARG A H 18 ATOM 9536 H HA . ARG A 1 9 ? 4.129 -5.951 2.397 1.00 0.00 ? 9 ARG A HA 18 ATOM 9537 H HB2 . ARG A 1 9 ? 3.127 -5.346 -0.125 1.00 0.00 ? 9 ARG A HB2 18 ATOM 9538 H HB3 . ARG A 1 9 ? 4.523 -4.299 -0.076 1.00 0.00 ? 9 ARG A HB3 18 ATOM 9539 H HG2 . ARG A 1 9 ? 5.549 -6.128 -0.936 1.00 0.00 ? 9 ARG A HG2 18 ATOM 9540 H HG3 . ARG A 1 9 ? 5.721 -6.599 0.762 1.00 0.00 ? 9 ARG A HG3 18 ATOM 9541 H HD2 . ARG A 1 9 ? 3.731 -7.567 -1.316 1.00 0.00 ? 9 ARG A HD2 18 ATOM 9542 H HD3 . ARG A 1 9 ? 4.954 -8.513 -0.446 1.00 0.00 ? 9 ARG A HD3 18 ATOM 9543 H HE . ARG A 1 9 ? 3.085 -7.394 1.427 1.00 0.00 ? 9 ARG A HE 18 ATOM 9544 H HH11 . ARG A 1 9 ? 1.676 -10.686 -0.274 1.00 0.00 ? 9 ARG A HH11 18 ATOM 9545 H HH12 . ARG A 1 9 ? 3.074 -9.934 -1.017 1.00 0.00 ? 9 ARG A HH12 18 ATOM 9546 H HH21 . ARG A 1 9 ? 1.386 -8.401 2.237 1.00 0.00 ? 9 ARG A HH21 18 ATOM 9547 H HH22 . ARG A 1 9 ? 0.727 -9.841 1.456 1.00 0.00 ? 9 ARG A HH22 18 ATOM 9548 N N . MET A 1 10 ? 6.236 -4.345 2.494 1.00 0.00 ? 10 MET A N 18 ATOM 9549 C CA . MET A 1 10 ? 7.274 -3.476 3.065 1.00 0.00 ? 10 MET A CA 18 ATOM 9550 C C . MET A 1 10 ? 8.673 -3.787 2.510 1.00 0.00 ? 10 MET A C 18 ATOM 9551 O O . MET A 1 10 ? 9.075 -4.948 2.399 1.00 0.00 ? 10 MET A O 18 ATOM 9552 C CB . MET A 1 10 ? 7.259 -3.588 4.603 1.00 0.00 ? 10 MET A CB 18 ATOM 9553 C CG . MET A 1 10 ? 8.128 -2.521 5.283 1.00 0.00 ? 10 MET A CG 18 ATOM 9554 S SD . MET A 1 10 ? 8.216 -2.636 7.091 1.00 0.00 ? 10 MET A SD 18 ATOM 9555 C CE . MET A 1 10 ? 9.325 -4.061 7.266 1.00 0.00 ? 10 MET A CE 18 ATOM 9556 H H . MET A 1 10 ? 6.504 -5.267 2.183 1.00 0.00 ? 10 MET A H 18 ATOM 9557 H HA . MET A 1 10 ? 7.031 -2.449 2.798 1.00 0.00 ? 10 MET A HA 18 ATOM 9558 H HB2 . MET A 1 10 ? 6.237 -3.471 4.966 1.00 0.00 ? 10 MET A HB2 18 ATOM 9559 H HB3 . MET A 1 10 ? 7.609 -4.580 4.889 1.00 0.00 ? 10 MET A HB3 18 ATOM 9560 H HG2 . MET A 1 10 ? 9.143 -2.566 4.891 1.00 0.00 ? 10 MET A HG2 18 ATOM 9561 H HG3 . MET A 1 10 ? 7.714 -1.545 5.035 1.00 0.00 ? 10 MET A HG3 18 ATOM 9562 H HE1 . MET A 1 10 ? 9.530 -4.238 8.322 1.00 0.00 ? 10 MET A HE1 18 ATOM 9563 H HE2 . MET A 1 10 ? 8.860 -4.952 6.841 1.00 0.00 ? 10 MET A HE2 18 ATOM 9564 H HE3 . MET A 1 10 ? 10.265 -3.864 6.749 1.00 0.00 ? 10 MET A HE3 18 ATOM 9565 N N . PHE A 1 11 ? 9.409 -2.730 2.169 1.00 0.00 ? 11 PHE A N 18 ATOM 9566 C CA . PHE A 1 11 ? 10.798 -2.756 1.709 1.00 0.00 ? 11 PHE A CA 18 ATOM 9567 C C . PHE A 1 11 ? 11.848 -3.052 2.796 1.00 0.00 ? 11 PHE A C 18 ATOM 9568 O O . PHE A 1 11 ? 11.591 -2.856 3.987 1.00 0.00 ? 11 PHE A O 18 ATOM 9569 C CB . PHE A 1 11 ? 11.110 -1.446 0.970 1.00 0.00 ? 11 PHE A CB 18 ATOM 9570 C CG . PHE A 1 11 ? 10.395 -1.263 -0.357 1.00 0.00 ? 11 PHE A CG 18 ATOM 9571 C CD1 . PHE A 1 11 ? 10.732 -2.063 -1.466 1.00 0.00 ? 11 PHE A CD1 18 ATOM 9572 C CD2 . PHE A 1 11 ? 9.410 -0.266 -0.496 1.00 0.00 ? 11 PHE A CD2 18 ATOM 9573 C CE1 . PHE A 1 11 ? 10.098 -1.855 -2.706 1.00 0.00 ? 11 PHE A CE1 18 ATOM 9574 C CE2 . PHE A 1 11 ? 8.783 -0.054 -1.734 1.00 0.00 ? 11 PHE A CE2 18 ATOM 9575 C CZ . PHE A 1 11 ? 9.126 -0.847 -2.841 1.00 0.00 ? 11 PHE A CZ 18 ATOM 9576 H H . PHE A 1 11 ? 8.988 -1.815 2.293 1.00 0.00 ? 11 PHE A H 18 ATOM 9577 H HA . PHE A 1 11 ? 10.889 -3.564 0.981 1.00 0.00 ? 11 PHE A HA 18 ATOM 9578 H HB2 . PHE A 1 11 ? 10.862 -0.613 1.631 1.00 0.00 ? 11 PHE A HB2 18 ATOM 9579 H HB3 . PHE A 1 11 ? 12.182 -1.402 0.762 1.00 0.00 ? 11 PHE A HB3 18 ATOM 9580 H HD1 . PHE A 1 11 ? 11.490 -2.828 -1.373 1.00 0.00 ? 11 PHE A HD1 18 ATOM 9581 H HD2 . PHE A 1 11 ? 9.117 0.338 0.350 1.00 0.00 ? 11 PHE A HD2 18 ATOM 9582 H HE1 . PHE A 1 11 ? 10.361 -2.471 -3.557 1.00 0.00 ? 11 PHE A HE1 18 ATOM 9583 H HE2 . PHE A 1 11 ? 8.019 0.706 -1.820 1.00 0.00 ? 11 PHE A HE2 18 ATOM 9584 H HZ . PHE A 1 11 ? 8.635 -0.691 -3.793 1.00 0.00 ? 11 PHE A HZ 18 ATOM 9585 N N . ALA A 1 12 ? 13.061 -3.451 2.399 1.00 0.00 ? 12 ALA A N 18 ATOM 9586 C CA . ALA A 1 12 ? 14.177 -3.718 3.318 1.00 0.00 ? 12 ALA A CA 18 ATOM 9587 C C . ALA A 1 12 ? 14.634 -2.481 4.131 1.00 0.00 ? 12 ALA A C 18 ATOM 9588 O O . ALA A 1 12 ? 15.194 -2.626 5.220 1.00 0.00 ? 12 ALA A O 18 ATOM 9589 C CB . ALA A 1 12 ? 15.335 -4.295 2.493 1.00 0.00 ? 12 ALA A CB 18 ATOM 9590 H H . ALA A 1 12 ? 13.220 -3.595 1.411 1.00 0.00 ? 12 ALA A H 18 ATOM 9591 H HA . ALA A 1 12 ? 13.859 -4.476 4.035 1.00 0.00 ? 12 ALA A HA 18 ATOM 9592 H HB1 . ALA A 1 12 ? 15.680 -3.560 1.763 1.00 0.00 ? 12 ALA A HB1 18 ATOM 9593 H HB2 . ALA A 1 12 ? 16.163 -4.554 3.154 1.00 0.00 ? 12 ALA A HB2 18 ATOM 9594 H HB3 . ALA A 1 12 ? 15.008 -5.196 1.972 1.00 0.00 ? 12 ALA A HB3 18 ATOM 9595 N N . ASN A 1 13 ? 14.366 -1.267 3.632 1.00 0.00 ? 13 ASN A N 18 ATOM 9596 C CA . ASN A 1 13 ? 14.601 0.008 4.332 1.00 0.00 ? 13 ASN A CA 18 ATOM 9597 C C . ASN A 1 13 ? 13.498 0.389 5.356 1.00 0.00 ? 13 ASN A C 18 ATOM 9598 O O . ASN A 1 13 ? 13.599 1.435 6.001 1.00 0.00 ? 13 ASN A O 18 ATOM 9599 C CB . ASN A 1 13 ? 14.842 1.123 3.287 1.00 0.00 ? 13 ASN A CB 18 ATOM 9600 C CG . ASN A 1 13 ? 13.684 1.339 2.323 1.00 0.00 ? 13 ASN A CG 18 ATOM 9601 O OD1 . ASN A 1 13 ? 12.532 1.090 2.665 1.00 0.00 ? 13 ASN A OD1 18 ATOM 9602 N ND2 . ASN A 1 13 ? 13.973 1.833 1.130 1.00 0.00 ? 13 ASN A ND2 18 ATOM 9603 H H . ASN A 1 13 ? 13.916 -1.231 2.729 1.00 0.00 ? 13 ASN A H 18 ATOM 9604 H HA . ASN A 1 13 ? 15.519 -0.091 4.912 1.00 0.00 ? 13 ASN A HA 18 ATOM 9605 H HB2 . ASN A 1 13 ? 15.041 2.068 3.798 1.00 0.00 ? 13 ASN A HB2 18 ATOM 9606 H HB3 . ASN A 1 13 ? 15.728 0.856 2.707 1.00 0.00 ? 13 ASN A HB3 18 ATOM 9607 H HD21 . ASN A 1 13 ? 14.940 2.036 0.917 1.00 0.00 ? 13 ASN A HD21 18 ATOM 9608 N N . GLY A 1 14 ? 12.449 -0.430 5.509 1.00 0.00 ? 14 GLY A N 18 ATOM 9609 C CA . GLY A 1 14 ? 11.327 -0.191 6.429 1.00 0.00 ? 14 GLY A CA 18 ATOM 9610 C C . GLY A 1 14 ? 10.187 0.672 5.864 1.00 0.00 ? 14 GLY A C 18 ATOM 9611 O O . GLY A 1 14 ? 9.381 1.197 6.637 1.00 0.00 ? 14 GLY A O 18 ATOM 9612 H H . GLY A 1 14 ? 12.418 -1.277 4.952 1.00 0.00 ? 14 GLY A H 18 ATOM 9613 H HA2 . GLY A 1 14 ? 10.900 -1.159 6.697 1.00 0.00 ? 14 GLY A HA2 18 ATOM 9614 H HA3 . GLY A 1 14 ? 11.698 0.288 7.339 1.00 0.00 ? 14 GLY A HA3 18 ATOM 9615 N N . THR A 1 15 ? 10.092 0.825 4.537 1.00 0.00 ? 15 THR A N 18 ATOM 9616 C CA . THR A 1 15 ? 9.057 1.630 3.860 1.00 0.00 ? 15 THR A CA 18 ATOM 9617 C C . THR A 1 15 ? 7.889 0.739 3.443 1.00 0.00 ? 15 THR A C 18 ATOM 9618 O O . THR A 1 15 ? 8.091 -0.274 2.776 1.00 0.00 ? 15 THR A O 18 ATOM 9619 C CB . THR A 1 15 ? 9.651 2.307 2.614 1.00 0.00 ? 15 THR A CB 18 ATOM 9620 O OG1 . THR A 1 15 ? 10.703 3.160 2.999 1.00 0.00 ? 15 THR A OG1 18 ATOM 9621 C CG2 . THR A 1 15 ? 8.638 3.111 1.803 1.00 0.00 ? 15 THR A CG2 18 ATOM 9622 H H . THR A 1 15 ? 10.802 0.402 3.956 1.00 0.00 ? 15 THR A H 18 ATOM 9623 H HA . THR A 1 15 ? 8.690 2.410 4.527 1.00 0.00 ? 15 THR A HA 18 ATOM 9624 H HB . THR A 1 15 ? 10.065 1.542 1.959 1.00 0.00 ? 15 THR A HB 18 ATOM 9625 H HG1 . THR A 1 15 ? 11.466 2.567 3.109 1.00 0.00 ? 15 THR A HG1 18 ATOM 9626 H HG21 . THR A 1 15 ? 7.931 2.431 1.325 1.00 0.00 ? 15 THR A HG21 18 ATOM 9627 H HG22 . THR A 1 15 ? 8.108 3.806 2.452 1.00 0.00 ? 15 THR A HG22 18 ATOM 9628 H HG23 . THR A 1 15 ? 9.160 3.663 1.022 1.00 0.00 ? 15 THR A HG23 18 ATOM 9629 N N . VAL A 1 16 ? 6.659 1.123 3.796 1.00 0.00 ? 16 VAL A N 18 ATOM 9630 C CA . VAL A 1 16 ? 5.442 0.318 3.572 1.00 0.00 ? 16 VAL A CA 18 ATOM 9631 C C . VAL A 1 16 ? 4.788 0.752 2.255 1.00 0.00 ? 16 VAL A C 18 ATOM 9632 O O . VAL A 1 16 ? 4.770 1.936 1.907 1.00 0.00 ? 16 VAL A O 18 ATOM 9633 C CB . VAL A 1 16 ? 4.459 0.498 4.751 1.00 0.00 ? 16 VAL A CB 18 ATOM 9634 C CG1 . VAL A 1 16 ? 3.038 -0.022 4.490 1.00 0.00 ? 16 VAL A CG1 18 ATOM 9635 C CG2 . VAL A 1 16 ? 4.979 -0.240 5.992 1.00 0.00 ? 16 VAL A CG2 18 ATOM 9636 H H . VAL A 1 16 ? 6.558 1.993 4.300 1.00 0.00 ? 16 VAL A H 18 ATOM 9637 H HA . VAL A 1 16 ? 5.701 -0.737 3.498 1.00 0.00 ? 16 VAL A HA 18 ATOM 9638 H HB . VAL A 1 16 ? 4.384 1.561 4.987 1.00 0.00 ? 16 VAL A HB 18 ATOM 9639 H HG11 . VAL A 1 16 ? 3.066 -1.077 4.216 1.00 0.00 ? 16 VAL A HG11 18 ATOM 9640 H HG12 . VAL A 1 16 ? 2.438 0.102 5.391 1.00 0.00 ? 16 VAL A HG12 18 ATOM 9641 H HG13 . VAL A 1 16 ? 2.562 0.550 3.694 1.00 0.00 ? 16 VAL A HG13 18 ATOM 9642 H HG21 . VAL A 1 16 ? 5.036 -1.310 5.790 1.00 0.00 ? 16 VAL A HG21 18 ATOM 9643 H HG22 . VAL A 1 16 ? 5.966 0.131 6.267 1.00 0.00 ? 16 VAL A HG22 18 ATOM 9644 H HG23 . VAL A 1 16 ? 4.298 -0.077 6.828 1.00 0.00 ? 16 VAL A HG23 18 ATOM 9645 N N . TYR A 1 17 ? 4.230 -0.222 1.535 1.00 0.00 ? 17 TYR A N 18 ATOM 9646 C CA . TYR A 1 17 ? 3.487 -0.036 0.288 1.00 0.00 ? 17 TYR A CA 18 ATOM 9647 C C . TYR A 1 17 ? 2.360 -1.083 0.174 1.00 0.00 ? 17 TYR A C 18 ATOM 9648 O O . TYR A 1 17 ? 2.176 -1.929 1.055 1.00 0.00 ? 17 TYR A O 18 ATOM 9649 C CB . TYR A 1 17 ? 4.471 -0.094 -0.901 1.00 0.00 ? 17 TYR A CB 18 ATOM 9650 C CG . TYR A 1 17 ? 5.193 -1.411 -1.158 1.00 0.00 ? 17 TYR A CG 18 ATOM 9651 C CD1 . TYR A 1 17 ? 6.326 -1.757 -0.397 1.00 0.00 ? 17 TYR A CD1 18 ATOM 9652 C CD2 . TYR A 1 17 ? 4.795 -2.238 -2.231 1.00 0.00 ? 17 TYR A CD2 18 ATOM 9653 C CE1 . TYR A 1 17 ? 7.081 -2.899 -0.732 1.00 0.00 ? 17 TYR A CE1 18 ATOM 9654 C CE2 . TYR A 1 17 ? 5.544 -3.382 -2.566 1.00 0.00 ? 17 TYR A CE2 18 ATOM 9655 C CZ . TYR A 1 17 ? 6.707 -3.700 -1.830 1.00 0.00 ? 17 TYR A CZ 18 ATOM 9656 O OH . TYR A 1 17 ? 7.469 -4.774 -2.174 1.00 0.00 ? 17 TYR A OH 18 ATOM 9657 H H . TYR A 1 17 ? 4.257 -1.165 1.914 1.00 0.00 ? 17 TYR A H 18 ATOM 9658 H HA . TYR A 1 17 ? 3.016 0.948 0.288 1.00 0.00 ? 17 TYR A HA 18 ATOM 9659 H HB2 . TYR A 1 17 ? 3.938 0.190 -1.808 1.00 0.00 ? 17 TYR A HB2 18 ATOM 9660 H HB3 . TYR A 1 17 ? 5.234 0.672 -0.748 1.00 0.00 ? 17 TYR A HB3 18 ATOM 9661 H HD1 . TYR A 1 17 ? 6.653 -1.118 0.413 1.00 0.00 ? 17 TYR A HD1 18 ATOM 9662 H HD2 . TYR A 1 17 ? 3.930 -1.982 -2.829 1.00 0.00 ? 17 TYR A HD2 18 ATOM 9663 H HE1 . TYR A 1 17 ? 7.979 -3.143 -0.186 1.00 0.00 ? 17 TYR A HE1 18 ATOM 9664 H HE2 . TYR A 1 17 ? 5.239 -4.006 -3.395 1.00 0.00 ? 17 TYR A HE2 18 ATOM 9665 H HH . TYR A 1 17 ? 7.158 -5.188 -2.987 1.00 0.00 ? 17 TYR A HH 18 ATOM 9666 N N . TYR A 1 18 ? 1.598 -1.030 -0.916 1.00 0.00 ? 18 TYR A N 18 ATOM 9667 C CA . TYR A 1 18 ? 0.514 -1.954 -1.247 1.00 0.00 ? 18 TYR A CA 18 ATOM 9668 C C . TYR A 1 18 ? 0.862 -2.788 -2.482 1.00 0.00 ? 18 TYR A C 18 ATOM 9669 O O . TYR A 1 18 ? 1.440 -2.269 -3.442 1.00 0.00 ? 18 TYR A O 18 ATOM 9670 C CB . TYR A 1 18 ? -0.800 -1.181 -1.431 1.00 0.00 ? 18 TYR A CB 18 ATOM 9671 C CG . TYR A 1 18 ? -1.250 -0.441 -0.183 1.00 0.00 ? 18 TYR A CG 18 ATOM 9672 C CD1 . TYR A 1 18 ? -2.051 -1.089 0.778 1.00 0.00 ? 18 TYR A CD1 18 ATOM 9673 C CD2 . TYR A 1 18 ? -0.842 0.893 0.026 1.00 0.00 ? 18 TYR A CD2 18 ATOM 9674 C CE1 . TYR A 1 18 ? -2.440 -0.405 1.946 1.00 0.00 ? 18 TYR A CE1 18 ATOM 9675 C CE2 . TYR A 1 18 ? -1.218 1.575 1.200 1.00 0.00 ? 18 TYR A CE2 18 ATOM 9676 C CZ . TYR A 1 18 ? -2.019 0.925 2.164 1.00 0.00 ? 18 TYR A CZ 18 ATOM 9677 O OH . TYR A 1 18 ? -2.385 1.570 3.303 1.00 0.00 ? 18 TYR A OH 18 ATOM 9678 H H . TYR A 1 18 ? 1.793 -0.302 -1.596 1.00 0.00 ? 18 TYR A H 18 ATOM 9679 H HA . TYR A 1 18 ? 0.365 -2.648 -0.419 1.00 0.00 ? 18 TYR A HA 18 ATOM 9680 H HB2 . TYR A 1 18 ? -0.684 -0.466 -2.249 1.00 0.00 ? 18 TYR A HB2 18 ATOM 9681 H HB3 . TYR A 1 18 ? -1.582 -1.890 -1.709 1.00 0.00 ? 18 TYR A HB3 18 ATOM 9682 H HD1 . TYR A 1 18 ? -2.362 -2.115 0.622 1.00 0.00 ? 18 TYR A HD1 18 ATOM 9683 H HD2 . TYR A 1 18 ? -0.228 1.390 -0.714 1.00 0.00 ? 18 TYR A HD2 18 ATOM 9684 H HE1 . TYR A 1 18 ? -3.048 -0.896 2.691 1.00 0.00 ? 18 TYR A HE1 18 ATOM 9685 H HE2 . TYR A 1 18 ? -0.894 2.593 1.360 1.00 0.00 ? 18 TYR A HE2 18 ATOM 9686 H HH . TYR A 1 18 ? -2.022 2.462 3.339 1.00 0.00 ? 18 TYR A HH 18 ATOM 9687 N N . PHE A 1 19 ? 0.508 -4.072 -2.473 1.00 0.00 ? 19 PHE A N 18 ATOM 9688 C CA . PHE A 1 19 ? 0.867 -5.030 -3.517 1.00 0.00 ? 19 PHE A CA 18 ATOM 9689 C C . PHE A 1 19 ? -0.247 -6.044 -3.806 1.00 0.00 ? 19 PHE A C 18 ATOM 9690 O O . PHE A 1 19 ? -0.814 -6.621 -2.876 1.00 0.00 ? 19 PHE A O 18 ATOM 9691 C CB . PHE A 1 19 ? 2.181 -5.718 -3.136 1.00 0.00 ? 19 PHE A CB 18 ATOM 9692 C CG . PHE A 1 19 ? 2.615 -6.761 -4.140 1.00 0.00 ? 19 PHE A CG 18 ATOM 9693 C CD1 . PHE A 1 19 ? 3.148 -6.320 -5.360 1.00 0.00 ? 19 PHE A CD1 18 ATOM 9694 C CD2 . PHE A 1 19 ? 2.451 -8.140 -3.900 1.00 0.00 ? 19 PHE A CD2 18 ATOM 9695 C CE1 . PHE A 1 19 ? 3.517 -7.242 -6.347 1.00 0.00 ? 19 PHE A CE1 18 ATOM 9696 C CE2 . PHE A 1 19 ? 2.853 -9.068 -4.879 1.00 0.00 ? 19 PHE A CE2 18 ATOM 9697 C CZ . PHE A 1 19 ? 3.383 -8.621 -6.103 1.00 0.00 ? 19 PHE A CZ 18 ATOM 9698 H H . PHE A 1 19 ? 0.045 -4.439 -1.646 1.00 0.00 ? 19 PHE A H 18 ATOM 9699 H HA . PHE A 1 19 ? 1.052 -4.498 -4.452 1.00 0.00 ? 19 PHE A HA 18 ATOM 9700 H HB2 . PHE A 1 19 ? 2.967 -4.962 -3.053 1.00 0.00 ? 19 PHE A HB2 18 ATOM 9701 H HB3 . PHE A 1 19 ? 2.059 -6.192 -2.160 1.00 0.00 ? 19 PHE A HB3 18 ATOM 9702 H HD1 . PHE A 1 19 ? 3.250 -5.263 -5.552 1.00 0.00 ? 19 PHE A HD1 18 ATOM 9703 H HD2 . PHE A 1 19 ? 2.012 -8.490 -2.975 1.00 0.00 ? 19 PHE A HD2 18 ATOM 9704 H HE1 . PHE A 1 19 ? 3.891 -6.871 -7.289 1.00 0.00 ? 19 PHE A HE1 18 ATOM 9705 H HE2 . PHE A 1 19 ? 2.742 -10.129 -4.695 1.00 0.00 ? 19 PHE A HE2 18 ATOM 9706 H HZ . PHE A 1 19 ? 3.677 -9.337 -6.860 1.00 0.00 ? 19 PHE A HZ 18 ATOM 9707 N N . ASN A 1 20 ? -0.568 -6.275 -5.080 1.00 0.00 ? 20 ASN A N 18 ATOM 9708 C CA . ASN A 1 20 ? -1.551 -7.272 -5.493 1.00 0.00 ? 20 ASN A CA 18 ATOM 9709 C C . ASN A 1 20 ? -0.862 -8.607 -5.822 1.00 0.00 ? 20 ASN A C 18 ATOM 9710 O O . ASN A 1 20 ? -0.095 -8.699 -6.783 1.00 0.00 ? 20 ASN A O 18 ATOM 9711 C CB . ASN A 1 20 ? -2.370 -6.726 -6.668 1.00 0.00 ? 20 ASN A CB 18 ATOM 9712 C CG . ASN A 1 20 ? -3.616 -7.568 -6.882 1.00 0.00 ? 20 ASN A CG 18 ATOM 9713 O OD1 . ASN A 1 20 ? -3.548 -8.767 -7.105 1.00 0.00 ? 20 ASN A OD1 18 ATOM 9714 N ND2 . ASN A 1 20 ? -4.783 -6.975 -6.817 1.00 0.00 ? 20 ASN A ND2 18 ATOM 9715 H H . ASN A 1 20 ? -0.058 -5.780 -5.805 1.00 0.00 ? 20 ASN A H 18 ATOM 9716 H HA . ASN A 1 20 ? -2.238 -7.441 -4.671 1.00 0.00 ? 20 ASN A HA 18 ATOM 9717 H HB2 . ASN A 1 20 ? -2.665 -5.700 -6.454 1.00 0.00 ? 20 ASN A HB2 18 ATOM 9718 H HB3 . ASN A 1 20 ? -1.770 -6.736 -7.577 1.00 0.00 ? 20 ASN A HB3 18 ATOM 9719 H HD21 . ASN A 1 20 ? -5.623 -7.541 -6.870 1.00 0.00 ? 20 ASN A HD21 18 ATOM 9720 H HD22 . ASN A 1 20 ? -4.840 -5.993 -6.581 1.00 0.00 ? 20 ASN A HD22 18 ATOM 9721 N N . HIS A 1 21 ? -1.153 -9.658 -5.050 1.00 0.00 ? 21 HIS A N 18 ATOM 9722 C CA . HIS A 1 21 ? -0.503 -10.969 -5.209 1.00 0.00 ? 21 HIS A CA 18 ATOM 9723 C C . HIS A 1 21 ? -0.987 -11.748 -6.448 1.00 0.00 ? 21 HIS A C 18 ATOM 9724 O O . HIS A 1 21 ? -0.281 -12.636 -6.933 1.00 0.00 ? 21 HIS A O 18 ATOM 9725 C CB . HIS A 1 21 ? -0.664 -11.776 -3.907 1.00 0.00 ? 21 HIS A CB 18 ATOM 9726 C CG . HIS A 1 21 ? -1.952 -12.563 -3.780 1.00 0.00 ? 21 HIS A CG 18 ATOM 9727 N ND1 . HIS A 1 21 ? -2.158 -13.858 -4.267 1.00 0.00 ? 21 HIS A ND1 18 ATOM 9728 C CD2 . HIS A 1 21 ? -3.063 -12.175 -3.090 1.00 0.00 ? 21 HIS A CD2 18 ATOM 9729 C CE1 . HIS A 1 21 ? -3.392 -14.214 -3.868 1.00 0.00 ? 21 HIS A CE1 18 ATOM 9730 N NE2 . HIS A 1 21 ? -3.960 -13.219 -3.163 1.00 0.00 ? 21 HIS A NE2 18 ATOM 9731 H H . HIS A 1 21 ? -1.837 -9.537 -4.311 1.00 0.00 ? 21 HIS A H 18 ATOM 9732 H HA . HIS A 1 21 ? 0.564 -10.798 -5.356 1.00 0.00 ? 21 HIS A HA 18 ATOM 9733 H HB2 . HIS A 1 21 ? 0.163 -12.489 -3.860 1.00 0.00 ? 21 HIS A HB2 18 ATOM 9734 H HB3 . HIS A 1 21 ? -0.570 -11.105 -3.049 1.00 0.00 ? 21 HIS A HB3 18 ATOM 9735 H HD2 . HIS A 1 21 ? -3.202 -11.237 -2.573 1.00 0.00 ? 21 HIS A HD2 18 ATOM 9736 H HE1 . HIS A 1 21 ? -3.864 -15.167 -4.078 1.00 0.00 ? 21 HIS A HE1 18 ATOM 9737 H HE2 . HIS A 1 21 ? -4.882 -13.257 -2.739 1.00 0.00 ? 21 HIS A HE2 18 ATOM 9738 N N . ILE A 1 22 ? -2.167 -11.406 -6.981 1.00 0.00 ? 22 ILE A N 18 ATOM 9739 C CA . ILE A 1 22 ? -2.811 -12.059 -8.129 1.00 0.00 ? 22 ILE A CA 18 ATOM 9740 C C . ILE A 1 22 ? -2.341 -11.441 -9.456 1.00 0.00 ? 22 ILE A C 18 ATOM 9741 O O . ILE A 1 22 ? -2.090 -12.156 -10.429 1.00 0.00 ? 22 ILE A O 18 ATOM 9742 C CB . ILE A 1 22 ? -4.353 -11.945 -7.985 1.00 0.00 ? 22 ILE A CB 18 ATOM 9743 C CG1 . ILE A 1 22 ? -4.818 -12.380 -6.570 1.00 0.00 ? 22 ILE A CG1 18 ATOM 9744 C CG2 . ILE A 1 22 ? -5.046 -12.775 -9.077 1.00 0.00 ? 22 ILE A CG2 18 ATOM 9745 C CD1 . ILE A 1 22 ? -6.333 -12.397 -6.340 1.00 0.00 ? 22 ILE A CD1 18 ATOM 9746 H H . ILE A 1 22 ? -2.676 -10.643 -6.552 1.00 0.00 ? 22 ILE A H 18 ATOM 9747 H HA . ILE A 1 22 ? -2.544 -13.117 -8.133 1.00 0.00 ? 22 ILE A HA 18 ATOM 9748 H HB . ILE A 1 22 ? -4.637 -10.899 -8.131 1.00 0.00 ? 22 ILE A HB 18 ATOM 9749 H HG12 . ILE A 1 22 ? -4.430 -13.379 -6.360 1.00 0.00 ? 22 ILE A HG12 18 ATOM 9750 H HG13 . ILE A 1 22 ? -4.403 -11.690 -5.834 1.00 0.00 ? 22 ILE A HG13 18 ATOM 9751 H HG21 . ILE A 1 22 ? -4.723 -12.450 -10.064 1.00 0.00 ? 22 ILE A HG21 18 ATOM 9752 H HG22 . ILE A 1 22 ? -4.809 -13.831 -8.946 1.00 0.00 ? 22 ILE A HG22 18 ATOM 9753 H HG23 . ILE A 1 22 ? -6.125 -12.634 -9.029 1.00 0.00 ? 22 ILE A HG23 18 ATOM 9754 H HD11 . ILE A 1 22 ? -6.794 -13.212 -6.897 1.00 0.00 ? 22 ILE A HD11 18 ATOM 9755 H HD12 . ILE A 1 22 ? -6.525 -12.551 -5.277 1.00 0.00 ? 22 ILE A HD12 18 ATOM 9756 H HD13 . ILE A 1 22 ? -6.768 -11.446 -6.648 1.00 0.00 ? 22 ILE A HD13 18 ATOM 9757 N N . THR A 1 23 ? -2.194 -10.112 -9.488 1.00 0.00 ? 23 THR A N 18 ATOM 9758 C CA . THR A 1 23 ? -1.901 -9.304 -10.690 1.00 0.00 ? 23 THR A CA 18 ATOM 9759 C C . THR A 1 23 ? -0.491 -8.711 -10.777 1.00 0.00 ? 23 THR A C 18 ATOM 9760 O O . THR A 1 23 ? -0.111 -8.173 -11.819 1.00 0.00 ? 23 THR A O 18 ATOM 9761 C CB . THR A 1 23 ? -2.965 -8.216 -10.904 1.00 0.00 ? 23 THR A CB 18 ATOM 9762 O OG1 . THR A 1 23 ? -2.719 -7.140 -10.031 1.00 0.00 ? 23 THR A OG1 18 ATOM 9763 C CG2 . THR A 1 23 ? -4.404 -8.661 -10.640 1.00 0.00 ? 23 THR A CG2 18 ATOM 9764 H H . THR A 1 23 ? -2.450 -9.606 -8.646 1.00 0.00 ? 23 THR A H 18 ATOM 9765 H HA . THR A 1 23 ? -1.983 -9.963 -11.555 1.00 0.00 ? 23 THR A HA 18 ATOM 9766 H HB . THR A 1 23 ? -2.897 -7.856 -11.930 1.00 0.00 ? 23 THR A HB 18 ATOM 9767 H HG1 . THR A 1 23 ? -3.589 -6.791 -9.799 1.00 0.00 ? 23 THR A HG1 18 ATOM 9768 H HG21 . THR A 1 23 ? -4.554 -8.861 -9.580 1.00 0.00 ? 23 THR A HG21 18 ATOM 9769 H HG22 . THR A 1 23 ? -5.087 -7.873 -10.955 1.00 0.00 ? 23 THR A HG22 18 ATOM 9770 H HG23 . THR A 1 23 ? -4.615 -9.563 -11.214 1.00 0.00 ? 23 THR A HG23 18 ATOM 9771 N N . ASN A 1 24 ? 0.288 -8.809 -9.696 1.00 0.00 ? 24 ASN A N 18 ATOM 9772 C CA . ASN A 1 24 ? 1.604 -8.186 -9.506 1.00 0.00 ? 24 ASN A CA 18 ATOM 9773 C C . ASN A 1 24 ? 1.609 -6.638 -9.563 1.00 0.00 ? 24 ASN A C 18 ATOM 9774 O O . ASN A 1 24 ? 2.679 -6.029 -9.659 1.00 0.00 ? 24 ASN A O 18 ATOM 9775 C CB . ASN A 1 24 ? 2.667 -8.858 -10.400 1.00 0.00 ? 24 ASN A CB 18 ATOM 9776 C CG . ASN A 1 24 ? 2.764 -10.358 -10.173 1.00 0.00 ? 24 ASN A CG 18 ATOM 9777 O OD1 . ASN A 1 24 ? 3.105 -10.831 -9.097 1.00 0.00 ? 24 ASN A OD1 18 ATOM 9778 N ND2 . ASN A 1 24 ? 2.512 -11.159 -11.186 1.00 0.00 ? 24 ASN A ND2 18 ATOM 9779 H H . ASN A 1 24 ? -0.114 -9.252 -8.879 1.00 0.00 ? 24 ASN A H 18 ATOM 9780 H HA . ASN A 1 24 ? 1.887 -8.409 -8.476 1.00 0.00 ? 24 ASN A HA 18 ATOM 9781 H HB2 . ASN A 1 24 ? 2.444 -8.655 -11.449 1.00 0.00 ? 24 ASN A HB2 18 ATOM 9782 H HB3 . ASN A 1 24 ? 3.647 -8.435 -10.171 1.00 0.00 ? 24 ASN A HB3 18 ATOM 9783 H HD21 . ASN A 1 24 ? 2.242 -10.773 -12.081 1.00 0.00 ? 24 ASN A HD21 18 ATOM 9784 H HD22 . ASN A 1 24 ? 2.589 -12.157 -11.040 1.00 0.00 ? 24 ASN A HD22 18 ATOM 9785 N N . ALA A 1 25 ? 0.441 -5.984 -9.493 1.00 0.00 ? 25 ALA A N 18 ATOM 9786 C CA . ALA A 1 25 ? 0.342 -4.526 -9.365 1.00 0.00 ? 25 ALA A CA 18 ATOM 9787 C C . ALA A 1 25 ? 0.900 -4.018 -8.014 1.00 0.00 ? 25 ALA A C 18 ATOM 9788 O O . ALA A 1 25 ? 0.880 -4.738 -7.013 1.00 0.00 ? 25 ALA A O 18 ATOM 9789 C CB . ALA A 1 25 ? -1.121 -4.111 -9.567 1.00 0.00 ? 25 ALA A CB 18 ATOM 9790 H H . ALA A 1 25 ? -0.417 -6.522 -9.458 1.00 0.00 ? 25 ALA A H 18 ATOM 9791 H HA . ALA A 1 25 ? 0.933 -4.069 -10.161 1.00 0.00 ? 25 ALA A HA 18 ATOM 9792 H HB1 . ALA A 1 25 ? -1.203 -3.024 -9.543 1.00 0.00 ? 25 ALA A HB1 18 ATOM 9793 H HB2 . ALA A 1 25 ? -1.477 -4.469 -10.533 1.00 0.00 ? 25 ALA A HB2 18 ATOM 9794 H HB3 . ALA A 1 25 ? -1.742 -4.531 -8.776 1.00 0.00 ? 25 ALA A HB3 18 ATOM 9795 N N . SER A 1 26 ? 1.372 -2.768 -7.970 1.00 0.00 ? 26 SER A N 18 ATOM 9796 C CA . SER A 1 26 ? 1.955 -2.133 -6.773 1.00 0.00 ? 26 SER A CA 18 ATOM 9797 C C . SER A 1 26 ? 1.628 -0.636 -6.678 1.00 0.00 ? 26 SER A C 18 ATOM 9798 O O . SER A 1 26 ? 1.616 0.058 -7.699 1.00 0.00 ? 26 SER A O 18 ATOM 9799 C CB . SER A 1 26 ? 3.476 -2.334 -6.723 1.00 0.00 ? 26 SER A CB 18 ATOM 9800 O OG . SER A 1 26 ? 4.120 -1.859 -7.898 1.00 0.00 ? 26 SER A OG 18 ATOM 9801 H H . SER A 1 26 ? 1.359 -2.222 -8.821 1.00 0.00 ? 26 SER A H 18 ATOM 9802 H HA . SER A 1 26 ? 1.546 -2.628 -5.894 1.00 0.00 ? 26 SER A HA 18 ATOM 9803 H HB2 . SER A 1 26 ? 3.878 -1.813 -5.853 1.00 0.00 ? 26 SER A HB2 18 ATOM 9804 H HB3 . SER A 1 26 ? 3.693 -3.395 -6.605 1.00 0.00 ? 26 SER A HB3 18 ATOM 9805 H HG . SER A 1 26 ? 3.902 -0.922 -8.010 1.00 0.00 ? 26 SER A HG 18 ATOM 9806 N N . GLN A 1 27 ? 1.422 -0.122 -5.461 1.00 0.00 ? 27 GLN A N 18 ATOM 9807 C CA . GLN A 1 27 ? 1.167 1.301 -5.179 1.00 0.00 ? 27 GLN A CA 18 ATOM 9808 C C . GLN A 1 27 ? 1.727 1.773 -3.830 1.00 0.00 ? 27 GLN A C 18 ATOM 9809 O O . GLN A 1 27 ? 1.678 1.049 -2.838 1.00 0.00 ? 27 GLN A O 18 ATOM 9810 C CB . GLN A 1 27 ? -0.343 1.605 -5.173 1.00 0.00 ? 27 GLN A CB 18 ATOM 9811 C CG . GLN A 1 27 ? -0.980 1.700 -6.565 1.00 0.00 ? 27 GLN A CG 18 ATOM 9812 C CD . GLN A 1 27 ? -2.437 2.183 -6.572 1.00 0.00 ? 27 GLN A CD 18 ATOM 9813 O OE1 . GLN A 1 27 ? -3.106 2.158 -7.597 1.00 0.00 ? 27 GLN A OE1 18 ATOM 9814 N NE2 . GLN A 1 27 ? -2.983 2.711 -5.492 1.00 0.00 ? 27 GLN A NE2 18 ATOM 9815 H H . GLN A 1 27 ? 1.460 -0.751 -4.665 1.00 0.00 ? 27 GLN A H 18 ATOM 9816 H HA . GLN A 1 27 ? 1.639 1.908 -5.954 1.00 0.00 ? 27 GLN A HA 18 ATOM 9817 H HB2 . GLN A 1 27 ? -0.870 0.858 -4.576 1.00 0.00 ? 27 GLN A HB2 18 ATOM 9818 H HB3 . GLN A 1 27 ? -0.472 2.578 -4.701 1.00 0.00 ? 27 GLN A HB3 18 ATOM 9819 H HG2 . GLN A 1 27 ? -0.396 2.412 -7.148 1.00 0.00 ? 27 GLN A HG2 18 ATOM 9820 H HG3 . GLN A 1 27 ? -0.940 0.724 -7.044 1.00 0.00 ? 27 GLN A HG3 18 ATOM 9821 H HE21 . GLN A 1 27 ? -2.481 2.727 -4.604 1.00 0.00 ? 27 GLN A HE21 18 ATOM 9822 H HE22 . GLN A 1 27 ? -3.914 3.087 -5.572 1.00 0.00 ? 27 GLN A HE22 18 ATOM 9823 N N . PHE A 1 28 ? 2.193 3.024 -3.777 1.00 0.00 ? 28 PHE A N 18 ATOM 9824 C CA . PHE A 1 28 ? 2.549 3.704 -2.523 1.00 0.00 ? 28 PHE A CA 18 ATOM 9825 C C . PHE A 1 28 ? 1.356 4.246 -1.710 1.00 0.00 ? 28 PHE A C 18 ATOM 9826 O O . PHE A 1 28 ? 1.461 4.478 -0.504 1.00 0.00 ? 28 PHE A O 18 ATOM 9827 C CB . PHE A 1 28 ? 3.644 4.754 -2.756 1.00 0.00 ? 28 PHE A CB 18 ATOM 9828 C CG . PHE A 1 28 ? 5.035 4.175 -2.939 1.00 0.00 ? 28 PHE A CG 18 ATOM 9829 C CD1 . PHE A 1 28 ? 5.542 3.941 -4.233 1.00 0.00 ? 28 PHE A CD1 18 ATOM 9830 C CD2 . PHE A 1 28 ? 5.834 3.883 -1.816 1.00 0.00 ? 28 PHE A CD2 18 ATOM 9831 C CE1 . PHE A 1 28 ? 6.840 3.426 -4.402 1.00 0.00 ? 28 PHE A CE1 18 ATOM 9832 C CE2 . PHE A 1 28 ? 7.135 3.377 -1.986 1.00 0.00 ? 28 PHE A CE2 18 ATOM 9833 C CZ . PHE A 1 28 ? 7.639 3.149 -3.279 1.00 0.00 ? 28 PHE A CZ 18 ATOM 9834 H H . PHE A 1 28 ? 2.238 3.559 -4.632 1.00 0.00 ? 28 PHE A H 18 ATOM 9835 H HA . PHE A 1 28 ? 2.997 2.955 -1.867 1.00 0.00 ? 28 PHE A HA 18 ATOM 9836 H HB2 . PHE A 1 28 ? 3.381 5.363 -3.625 1.00 0.00 ? 28 PHE A HB2 18 ATOM 9837 H HB3 . PHE A 1 28 ? 3.680 5.415 -1.885 1.00 0.00 ? 28 PHE A HB3 18 ATOM 9838 H HD1 . PHE A 1 28 ? 4.934 4.161 -5.100 1.00 0.00 ? 28 PHE A HD1 18 ATOM 9839 H HD2 . PHE A 1 28 ? 5.451 4.057 -0.818 1.00 0.00 ? 28 PHE A HD2 18 ATOM 9840 H HE1 . PHE A 1 28 ? 7.227 3.250 -5.398 1.00 0.00 ? 28 PHE A HE1 18 ATOM 9841 H HE2 . PHE A 1 28 ? 7.749 3.162 -1.122 1.00 0.00 ? 28 PHE A HE2 18 ATOM 9842 H HZ . PHE A 1 28 ? 8.641 2.759 -3.409 1.00 0.00 ? 28 PHE A HZ 18 ATOM 9843 N N . GLU A 1 29 ? 0.214 4.429 -2.382 1.00 0.00 ? 29 GLU A N 18 ATOM 9844 C CA . GLU A 1 29 ? -1.073 4.873 -1.823 1.00 0.00 ? 29 GLU A CA 18 ATOM 9845 C C . GLU A 1 29 ? -2.118 3.742 -1.821 1.00 0.00 ? 29 GLU A C 18 ATOM 9846 O O . GLU A 1 29 ? -2.100 2.870 -2.696 1.00 0.00 ? 29 GLU A O 18 ATOM 9847 C CB . GLU A 1 29 ? -1.539 6.129 -2.592 1.00 0.00 ? 29 GLU A CB 18 ATOM 9848 C CG . GLU A 1 29 ? -2.993 6.612 -2.410 1.00 0.00 ? 29 GLU A CG 18 ATOM 9849 C CD . GLU A 1 29 ? -3.410 6.998 -0.973 1.00 0.00 ? 29 GLU A CD 18 ATOM 9850 O OE1 . GLU A 1 29 ? -2.750 6.590 0.013 1.00 0.00 ? 29 GLU A OE1 18 ATOM 9851 O OE2 . GLU A 1 29 ? -4.436 7.707 -0.822 1.00 0.00 ? 29 GLU A OE2 18 ATOM 9852 H H . GLU A 1 29 ? 0.215 4.179 -3.362 1.00 0.00 ? 29 GLU A H 18 ATOM 9853 H HA . GLU A 1 29 ? -0.918 5.161 -0.784 1.00 0.00 ? 29 GLU A HA 18 ATOM 9854 H HB2 . GLU A 1 29 ? -0.871 6.952 -2.337 1.00 0.00 ? 29 GLU A HB2 18 ATOM 9855 H HB3 . GLU A 1 29 ? -1.411 5.931 -3.657 1.00 0.00 ? 29 GLU A HB3 18 ATOM 9856 H HG2 . GLU A 1 29 ? -3.130 7.479 -3.060 1.00 0.00 ? 29 GLU A HG2 18 ATOM 9857 H HG3 . GLU A 1 29 ? -3.666 5.835 -2.778 1.00 0.00 ? 29 GLU A HG3 18 ATOM 9858 N N . ARG A 1 30 ? -3.041 3.764 -0.850 1.00 0.00 ? 30 ARG A N 18 ATOM 9859 C CA . ARG A 1 30 ? -4.068 2.730 -0.635 1.00 0.00 ? 30 ARG A CA 18 ATOM 9860 C C . ARG A 1 30 ? -4.920 2.488 -1.907 1.00 0.00 ? 30 ARG A C 18 ATOM 9861 O O . ARG A 1 30 ? -5.514 3.443 -2.420 1.00 0.00 ? 30 ARG A O 18 ATOM 9862 C CB . ARG A 1 30 ? -4.884 3.098 0.622 1.00 0.00 ? 30 ARG A CB 18 ATOM 9863 C CG . ARG A 1 30 ? -6.035 2.129 0.946 1.00 0.00 ? 30 ARG A CG 18 ATOM 9864 C CD . ARG A 1 30 ? -7.377 2.594 0.358 1.00 0.00 ? 30 ARG A CD 18 ATOM 9865 N NE . ARG A 1 30 ? -8.152 1.474 -0.198 1.00 0.00 ? 30 ARG A NE 18 ATOM 9866 C CZ . ARG A 1 30 ? -8.999 0.672 0.412 1.00 0.00 ? 30 ARG A CZ 18 ATOM 9867 N NH1 . ARG A 1 30 ? -9.224 0.714 1.694 1.00 0.00 ? 30 ARG A NH1 18 ATOM 9868 N NH2 . ARG A 1 30 ? -9.643 -0.218 -0.278 1.00 0.00 ? 30 ARG A NH2 18 ATOM 9869 H H . ARG A 1 30 ? -3.012 4.550 -0.207 1.00 0.00 ? 30 ARG A H 18 ATOM 9870 H HA . ARG A 1 30 ? -3.534 1.812 -0.400 1.00 0.00 ? 30 ARG A HA 18 ATOM 9871 H HB2 . ARG A 1 30 ? -4.198 3.095 1.470 1.00 0.00 ? 30 ARG A HB2 18 ATOM 9872 H HB3 . ARG A 1 30 ? -5.276 4.113 0.527 1.00 0.00 ? 30 ARG A HB3 18 ATOM 9873 H HG2 . ARG A 1 30 ? -5.781 1.132 0.578 1.00 0.00 ? 30 ARG A HG2 18 ATOM 9874 H HG3 . ARG A 1 30 ? -6.148 2.073 2.031 1.00 0.00 ? 30 ARG A HG3 18 ATOM 9875 H HD2 . ARG A 1 30 ? -7.949 3.118 1.126 1.00 0.00 ? 30 ARG A HD2 18 ATOM 9876 H HD3 . ARG A 1 30 ? -7.197 3.307 -0.447 1.00 0.00 ? 30 ARG A HD3 18 ATOM 9877 H HE . ARG A 1 30 ? -8.042 1.298 -1.191 1.00 0.00 ? 30 ARG A HE 18 ATOM 9878 H HH11 . ARG A 1 30 ? -9.886 0.074 2.102 1.00 0.00 ? 30 ARG A HH11 18 ATOM 9879 H HH12 . ARG A 1 30 ? -8.744 1.393 2.261 1.00 0.00 ? 30 ARG A HH12 18 ATOM 9880 H HH21 . ARG A 1 30 ? -10.257 -0.866 0.201 1.00 0.00 ? 30 ARG A HH21 18 ATOM 9881 H HH22 . ARG A 1 30 ? -9.513 -0.258 -1.277 1.00 0.00 ? 30 ARG A HH22 18 ATOM 9882 N N . PRO A 1 31 ? -4.983 1.250 -2.442 1.00 0.00 ? 31 PRO A N 18 ATOM 9883 C CA . PRO A 1 31 ? -5.577 0.942 -3.749 1.00 0.00 ? 31 PRO A CA 18 ATOM 9884 C C . PRO A 1 31 ? -7.113 0.976 -3.768 1.00 0.00 ? 31 PRO A C 18 ATOM 9885 O O . PRO A 1 31 ? -7.774 0.545 -2.821 1.00 0.00 ? 31 PRO A O 18 ATOM 9886 C CB . PRO A 1 31 ? -5.043 -0.447 -4.122 1.00 0.00 ? 31 PRO A CB 18 ATOM 9887 C CG . PRO A 1 31 ? -4.825 -1.098 -2.758 1.00 0.00 ? 31 PRO A CG 18 ATOM 9888 C CD . PRO A 1 31 ? -4.321 0.065 -1.920 1.00 0.00 ? 31 PRO A CD 18 ATOM 9889 H HA . PRO A 1 31 ? -5.215 1.659 -4.486 1.00 0.00 ? 31 PRO A HA 18 ATOM 9890 H HB2 . PRO A 1 31 ? -5.745 -1.015 -4.735 1.00 0.00 ? 31 PRO A HB2 18 ATOM 9891 H HB3 . PRO A 1 31 ? -4.084 -0.346 -4.634 1.00 0.00 ? 31 PRO A HB3 18 ATOM 9892 H HG2 . PRO A 1 31 ? -5.775 -1.452 -2.360 1.00 0.00 ? 31 PRO A HG2 18 ATOM 9893 H HG3 . PRO A 1 31 ? -4.093 -1.902 -2.789 1.00 0.00 ? 31 PRO A HG3 18 ATOM 9894 H HD2 . PRO A 1 31 ? -4.554 -0.101 -0.869 1.00 0.00 ? 31 PRO A HD2 18 ATOM 9895 H HD3 . PRO A 1 31 ? -3.244 0.173 -2.060 1.00 0.00 ? 31 PRO A HD3 18 ATOM 9896 N N . SER A 1 32 ? -7.686 1.448 -4.878 1.00 0.00 ? 32 SER A N 18 ATOM 9897 C CA . SER A 1 32 ? -9.137 1.475 -5.136 1.00 0.00 ? 32 SER A CA 18 ATOM 9898 C C . SER A 1 32 ? -9.660 0.273 -5.946 1.00 0.00 ? 32 SER A C 18 ATOM 9899 O O . SER A 1 32 ? -10.850 -0.044 -5.869 1.00 0.00 ? 32 SER A O 18 ATOM 9900 C CB . SER A 1 32 ? -9.499 2.785 -5.847 1.00 0.00 ? 32 SER A CB 18 ATOM 9901 O OG . SER A 1 32 ? -8.791 2.910 -7.071 1.00 0.00 ? 32 SER A OG 18 ATOM 9902 H H . SER A 1 32 ? -7.089 1.820 -5.604 1.00 0.00 ? 32 SER A H 18 ATOM 9903 H HA . SER A 1 32 ? -9.668 1.470 -4.183 1.00 0.00 ? 32 SER A HA 18 ATOM 9904 H HB2 . SER A 1 32 ? -10.573 2.808 -6.039 1.00 0.00 ? 32 SER A HB2 18 ATOM 9905 H HB3 . SER A 1 32 ? -9.246 3.623 -5.196 1.00 0.00 ? 32 SER A HB3 18 ATOM 9906 H HG . SER A 1 32 ? -9.049 3.751 -7.479 1.00 0.00 ? 32 SER A HG 18 ATOM 9907 N N . GLY A 1 33 ? -8.788 -0.412 -6.702 1.00 0.00 ? 33 GLY A N 18 ATOM 9908 C CA . GLY A 1 33 ? -9.123 -1.570 -7.553 1.00 0.00 ? 33 GLY A CA 18 ATOM 9909 C C . GLY A 1 33 ? -7.954 -2.038 -8.417 1.00 0.00 ? 33 GLY A C 18 ATOM 9910 O O . GLY A 1 33 ? -7.580 -1.301 -9.356 1.00 0.00 ? 33 GLY A O 18 ATOM 9911 O OXT . GLY A 1 33 ? -7.428 -3.141 -8.151 1.00 0.00 ? 33 GLY A OXT 18 ATOM 9912 H H . GLY A 1 33 ? -7.837 -0.075 -6.728 1.00 0.00 ? 33 GLY A H 18 ATOM 9913 H HA2 . GLY A 1 33 ? -9.443 -2.402 -6.929 1.00 0.00 ? 33 GLY A HA2 18 ATOM 9914 H HA3 . GLY A 1 33 ? -9.945 -1.309 -8.218 1.00 0.00 ? 33 GLY A HA3 18 HETATM 9915 C C1 . GAL B 2 . ? 13.054 1.789 0.006 1.00 0.00 ? 101 GAL A C1 18 HETATM 9916 C C2 . GAL B 2 . ? 12.843 3.176 -0.643 1.00 0.00 ? 101 GAL A C2 18 HETATM 9917 C C3 . GAL B 2 . ? 12.025 3.026 -1.938 1.00 0.00 ? 101 GAL A C3 18 HETATM 9918 C C4 . GAL B 2 . ? 12.681 2.029 -2.909 1.00 0.00 ? 101 GAL A C4 18 HETATM 9919 C C5 . GAL B 2 . ? 12.918 0.679 -2.211 1.00 0.00 ? 101 GAL A C5 18 HETATM 9920 C C6 . GAL B 2 . ? 13.649 -0.352 -3.084 1.00 0.00 ? 101 GAL A C6 18 HETATM 9921 O O2 . GAL B 2 . ? 12.121 4.056 0.260 1.00 0.00 ? 101 GAL A O2 18 HETATM 9922 O O3 . GAL B 2 . ? 11.904 4.314 -2.601 1.00 0.00 ? 101 GAL A O3 18 HETATM 9923 O O4 . GAL B 2 . ? 13.943 2.579 -3.358 1.00 0.00 ? 101 GAL A O4 18 HETATM 9924 O O5 . GAL B 2 . ? 13.683 0.876 -0.952 1.00 0.00 ? 101 GAL A O5 18 HETATM 9925 O O6 . GAL B 2 . ? 13.966 -1.496 -2.268 1.00 0.00 ? 101 GAL A O6 18 HETATM 9926 H H1 . GAL B 2 . ? 12.097 1.370 0.322 1.00 0.00 ? 101 GAL A H1 18 HETATM 9927 H H2 . GAL B 2 . ? 13.815 3.622 -0.864 1.00 0.00 ? 101 GAL A H2 18 HETATM 9928 H H3 . GAL B 2 . ? 11.024 2.668 -1.689 1.00 0.00 ? 101 GAL A H3 18 HETATM 9929 H H4 . GAL B 2 . ? 12.034 1.882 -3.775 1.00 0.00 ? 101 GAL A H4 18 HETATM 9930 H H5 . GAL B 2 . ? 11.944 0.271 -1.950 1.00 0.00 ? 101 GAL A H5 18 HETATM 9931 H H61 . GAL B 2 . ? 13.019 -0.660 -3.921 1.00 0.00 ? 101 GAL A H61 18 HETATM 9932 H H62 . GAL B 2 . ? 14.579 0.066 -3.474 1.00 0.00 ? 101 GAL A H62 18 HETATM 9933 H HO2 . GAL B 2 . ? 12.556 4.030 1.124 1.00 0.00 ? 101 GAL A HO2 18 HETATM 9934 H HO3 . GAL B 2 . ? 11.584 4.946 -1.938 1.00 0.00 ? 101 GAL A HO3 18 HETATM 9935 H HO4 . GAL B 2 . ? 13.767 3.481 -3.670 1.00 0.00 ? 101 GAL A HO4 18 HETATM 9936 H HO6 . GAL B 2 . ? 14.322 -1.142 -1.440 1.00 0.00 ? 101 GAL A HO6 18 ATOM 9937 N N . LYS A 1 1 ? -11.529 -5.430 4.360 1.00 0.00 ? 1 LYS A N 19 ATOM 9938 C CA . LYS A 1 1 ? -10.086 -5.194 4.077 1.00 0.00 ? 1 LYS A CA 19 ATOM 9939 C C . LYS A 1 1 ? -9.889 -4.556 2.690 1.00 0.00 ? 1 LYS A C 19 ATOM 9940 O O . LYS A 1 1 ? -10.848 -4.082 2.075 1.00 0.00 ? 1 LYS A O 19 ATOM 9941 C CB . LYS A 1 1 ? -9.254 -6.488 4.276 1.00 0.00 ? 1 LYS A CB 19 ATOM 9942 C CG . LYS A 1 1 ? -9.611 -7.655 3.328 1.00 0.00 ? 1 LYS A CG 19 ATOM 9943 C CD . LYS A 1 1 ? -8.413 -8.576 3.035 1.00 0.00 ? 1 LYS A CD 19 ATOM 9944 C CE . LYS A 1 1 ? -7.458 -7.928 2.020 1.00 0.00 ? 1 LYS A CE 19 ATOM 9945 N NZ . LYS A 1 1 ? -6.283 -8.783 1.726 1.00 0.00 ? 1 LYS A NZ 19 ATOM 9946 H H1 . LYS A 1 1 ? -11.655 -5.781 5.298 1.00 0.00 ? 1 LYS A H1 19 ATOM 9947 H H2 . LYS A 1 1 ? -11.915 -6.099 3.710 1.00 0.00 ? 1 LYS A H2 19 ATOM 9948 H H3 . LYS A 1 1 ? -12.049 -4.570 4.269 1.00 0.00 ? 1 LYS A H3 19 ATOM 9949 H HA . LYS A 1 1 ? -9.724 -4.462 4.800 1.00 0.00 ? 1 LYS A HA 19 ATOM 9950 H HB2 . LYS A 1 1 ? -8.197 -6.241 4.170 1.00 0.00 ? 1 LYS A HB2 19 ATOM 9951 H HB3 . LYS A 1 1 ? -9.378 -6.834 5.304 1.00 0.00 ? 1 LYS A HB3 19 ATOM 9952 H HG2 . LYS A 1 1 ? -10.402 -8.246 3.793 1.00 0.00 ? 1 LYS A HG2 19 ATOM 9953 H HG3 . LYS A 1 1 ? -9.995 -7.278 2.381 1.00 0.00 ? 1 LYS A HG3 19 ATOM 9954 H HD2 . LYS A 1 1 ? -7.883 -8.802 3.962 1.00 0.00 ? 1 LYS A HD2 19 ATOM 9955 H HD3 . LYS A 1 1 ? -8.788 -9.510 2.613 1.00 0.00 ? 1 LYS A HD3 19 ATOM 9956 H HE2 . LYS A 1 1 ? -8.013 -7.737 1.097 1.00 0.00 ? 1 LYS A HE2 19 ATOM 9957 H HE3 . LYS A 1 1 ? -7.112 -6.968 2.410 1.00 0.00 ? 1 LYS A HE3 19 ATOM 9958 H HZ1 . LYS A 1 1 ? -5.630 -8.814 2.509 1.00 0.00 ? 1 LYS A HZ1 19 ATOM 9959 H HZ2 . LYS A 1 1 ? -6.554 -9.726 1.490 1.00 0.00 ? 1 LYS A HZ2 19 ATOM 9960 H HZ3 . LYS A 1 1 ? -5.760 -8.400 0.943 1.00 0.00 ? 1 LYS A HZ3 19 ATOM 9961 N N . LEU A 1 2 ? -8.642 -4.527 2.199 1.00 0.00 ? 2 LEU A N 19 ATOM 9962 C CA . LEU A 1 2 ? -8.237 -4.079 0.853 1.00 0.00 ? 2 LEU A CA 19 ATOM 9963 C C . LEU A 1 2 ? -8.969 -4.838 -0.289 1.00 0.00 ? 2 LEU A C 19 ATOM 9964 O O . LEU A 1 2 ? -9.516 -5.921 -0.043 1.00 0.00 ? 2 LEU A O 19 ATOM 9965 C CB . LEU A 1 2 ? -6.707 -4.262 0.742 1.00 0.00 ? 2 LEU A CB 19 ATOM 9966 C CG . LEU A 1 2 ? -5.886 -3.325 1.648 1.00 0.00 ? 2 LEU A CG 19 ATOM 9967 C CD1 . LEU A 1 2 ? -4.482 -3.891 1.842 1.00 0.00 ? 2 LEU A CD1 19 ATOM 9968 C CD2 . LEU A 1 2 ? -5.745 -1.939 1.025 1.00 0.00 ? 2 LEU A CD2 19 ATOM 9969 H H . LEU A 1 2 ? -7.909 -4.874 2.799 1.00 0.00 ? 2 LEU A H 19 ATOM 9970 H HA . LEU A 1 2 ? -8.481 -3.021 0.765 1.00 0.00 ? 2 LEU A HA 19 ATOM 9971 H HB2 . LEU A 1 2 ? -6.472 -5.300 0.990 1.00 0.00 ? 2 LEU A HB2 19 ATOM 9972 H HB3 . LEU A 1 2 ? -6.393 -4.086 -0.286 1.00 0.00 ? 2 LEU A HB3 19 ATOM 9973 H HG . LEU A 1 2 ? -6.355 -3.233 2.627 1.00 0.00 ? 2 LEU A HG 19 ATOM 9974 H HD11 . LEU A 1 2 ? -3.999 -4.033 0.875 1.00 0.00 ? 2 LEU A HD11 19 ATOM 9975 H HD12 . LEU A 1 2 ? -3.892 -3.205 2.447 1.00 0.00 ? 2 LEU A HD12 19 ATOM 9976 H HD13 . LEU A 1 2 ? -4.546 -4.845 2.367 1.00 0.00 ? 2 LEU A HD13 19 ATOM 9977 H HD21 . LEU A 1 2 ? -5.169 -2.020 0.104 1.00 0.00 ? 2 LEU A HD21 19 ATOM 9978 H HD22 . LEU A 1 2 ? -6.726 -1.518 0.809 1.00 0.00 ? 2 LEU A HD22 19 ATOM 9979 H HD23 . LEU A 1 2 ? -5.223 -1.277 1.714 1.00 0.00 ? 2 LEU A HD23 19 ATOM 9980 N N . PRO A 1 3 ? -8.988 -4.310 -1.535 1.00 0.00 ? 3 PRO A N 19 ATOM 9981 C CA . PRO A 1 3 ? -9.702 -4.916 -2.669 1.00 0.00 ? 3 PRO A CA 19 ATOM 9982 C C . PRO A 1 3 ? -9.125 -6.285 -3.102 1.00 0.00 ? 3 PRO A C 19 ATOM 9983 O O . PRO A 1 3 ? -8.048 -6.672 -2.636 1.00 0.00 ? 3 PRO A O 19 ATOM 9984 C CB . PRO A 1 3 ? -9.648 -3.887 -3.811 1.00 0.00 ? 3 PRO A CB 19 ATOM 9985 C CG . PRO A 1 3 ? -9.149 -2.595 -3.171 1.00 0.00 ? 3 PRO A CG 19 ATOM 9986 C CD . PRO A 1 3 ? -8.354 -3.072 -1.965 1.00 0.00 ? 3 PRO A CD 19 ATOM 9987 H HA . PRO A 1 3 ? -10.743 -5.053 -2.373 1.00 0.00 ? 3 PRO A HA 19 ATOM 9988 H HB2 . PRO A 1 3 ? -8.942 -4.202 -4.578 1.00 0.00 ? 3 PRO A HB2 19 ATOM 9989 H HB3 . PRO A 1 3 ? -10.635 -3.739 -4.255 1.00 0.00 ? 3 PRO A HB3 19 ATOM 9990 H HG2 . PRO A 1 3 ? -8.515 -2.039 -3.860 1.00 0.00 ? 3 PRO A HG2 19 ATOM 9991 H HG3 . PRO A 1 3 ? -9.996 -1.992 -2.840 1.00 0.00 ? 3 PRO A HG3 19 ATOM 9992 H HD2 . PRO A 1 3 ? -7.332 -3.289 -2.277 1.00 0.00 ? 3 PRO A HD2 19 ATOM 9993 H HD3 . PRO A 1 3 ? -8.357 -2.303 -1.192 1.00 0.00 ? 3 PRO A HD3 19 ATOM 9994 N N . PRO A 1 4 ? -9.790 -7.027 -4.014 1.00 0.00 ? 4 PRO A N 19 ATOM 9995 C CA . PRO A 1 4 ? -9.382 -8.374 -4.419 1.00 0.00 ? 4 PRO A CA 19 ATOM 9996 C C . PRO A 1 4 ? -7.909 -8.487 -4.854 1.00 0.00 ? 4 PRO A C 19 ATOM 9997 O O . PRO A 1 4 ? -7.445 -7.787 -5.757 1.00 0.00 ? 4 PRO A O 19 ATOM 9998 C CB . PRO A 1 4 ? -10.349 -8.781 -5.537 1.00 0.00 ? 4 PRO A CB 19 ATOM 9999 C CG . PRO A 1 4 ? -11.620 -8.015 -5.171 1.00 0.00 ? 4 PRO A CG 19 ATOM 10000 C CD . PRO A 1 4 ? -11.073 -6.699 -4.626 1.00 0.00 ? 4 PRO A CD 19 ATOM 10001 H HA . PRO A 1 4 ? -9.550 -9.038 -3.570 1.00 0.00 ? 4 PRO A HA 19 ATOM 10002 H HB2 . PRO A 1 4 ? -9.984 -8.430 -6.504 1.00 0.00 ? 4 PRO A HB2 19 ATOM 10003 H HB3 . PRO A 1 4 ? -10.517 -9.858 -5.555 1.00 0.00 ? 4 PRO A HB3 19 ATOM 10004 H HG2 . PRO A 1 4 ? -12.263 -7.859 -6.039 1.00 0.00 ? 4 PRO A HG2 19 ATOM 10005 H HG3 . PRO A 1 4 ? -12.157 -8.547 -4.383 1.00 0.00 ? 4 PRO A HG3 19 ATOM 10006 H HD2 . PRO A 1 4 ? -10.912 -6.001 -5.449 1.00 0.00 ? 4 PRO A HD2 19 ATOM 10007 H HD3 . PRO A 1 4 ? -11.774 -6.279 -3.903 1.00 0.00 ? 4 PRO A HD3 19 ATOM 10008 N N . GLY A 1 5 ? -7.174 -9.383 -4.190 1.00 0.00 ? 5 GLY A N 19 ATOM 10009 C CA . GLY A 1 5 ? -5.746 -9.646 -4.411 1.00 0.00 ? 5 GLY A CA 19 ATOM 10010 C C . GLY A 1 5 ? -4.769 -8.690 -3.714 1.00 0.00 ? 5 GLY A C 19 ATOM 10011 O O . GLY A 1 5 ? -3.593 -9.038 -3.587 1.00 0.00 ? 5 GLY A O 19 ATOM 10012 H H . GLY A 1 5 ? -7.631 -9.912 -3.460 1.00 0.00 ? 5 GLY A H 19 ATOM 10013 H HA2 . GLY A 1 5 ? -5.526 -10.657 -4.064 1.00 0.00 ? 5 GLY A HA2 19 ATOM 10014 H HA3 . GLY A 1 5 ? -5.542 -9.590 -5.482 1.00 0.00 ? 5 GLY A HA3 19 ATOM 10015 N N . TRP A 1 6 ? -5.211 -7.523 -3.236 1.00 0.00 ? 6 TRP A N 19 ATOM 10016 C CA . TRP A 1 6 ? -4.360 -6.550 -2.539 1.00 0.00 ? 6 TRP A CA 19 ATOM 10017 C C . TRP A 1 6 ? -4.043 -6.918 -1.084 1.00 0.00 ? 6 TRP A C 19 ATOM 10018 O O . TRP A 1 6 ? -4.903 -7.409 -0.348 1.00 0.00 ? 6 TRP A O 19 ATOM 10019 C CB . TRP A 1 6 ? -4.966 -5.145 -2.602 1.00 0.00 ? 6 TRP A CB 19 ATOM 10020 C CG . TRP A 1 6 ? -4.998 -4.498 -3.952 1.00 0.00 ? 6 TRP A CG 19 ATOM 10021 C CD1 . TRP A 1 6 ? -6.008 -4.605 -4.843 1.00 0.00 ? 6 TRP A CD1 19 ATOM 10022 C CD2 . TRP A 1 6 ? -3.910 -3.840 -4.671 1.00 0.00 ? 6 TRP A CD2 19 ATOM 10023 N NE1 . TRP A 1 6 ? -5.673 -3.955 -6.012 1.00 0.00 ? 6 TRP A NE1 19 ATOM 10024 C CE2 . TRP A 1 6 ? -4.372 -3.504 -5.981 1.00 0.00 ? 6 TRP A CE2 19 ATOM 10025 C CE3 . TRP A 1 6 ? -2.588 -3.469 -4.341 1.00 0.00 ? 6 TRP A CE3 19 ATOM 10026 C CZ2 . TRP A 1 6 ? -3.557 -2.862 -6.921 1.00 0.00 ? 6 TRP A CZ2 19 ATOM 10027 C CZ3 . TRP A 1 6 ? -1.766 -2.806 -5.273 1.00 0.00 ? 6 TRP A CZ3 19 ATOM 10028 C CH2 . TRP A 1 6 ? -2.245 -2.506 -6.563 1.00 0.00 ? 6 TRP A CH2 19 ATOM 10029 H H . TRP A 1 6 ? -6.199 -7.311 -3.314 1.00 0.00 ? 6 TRP A H 19 ATOM 10030 H HA . TRP A 1 6 ? -3.408 -6.500 -3.064 1.00 0.00 ? 6 TRP A HA 19 ATOM 10031 H HB2 . TRP A 1 6 ? -5.981 -5.186 -2.208 1.00 0.00 ? 6 TRP A HB2 19 ATOM 10032 H HB3 . TRP A 1 6 ? -4.378 -4.493 -1.950 1.00 0.00 ? 6 TRP A HB3 19 ATOM 10033 H HD1 . TRP A 1 6 ? -6.951 -5.101 -4.652 1.00 0.00 ? 6 TRP A HD1 19 ATOM 10034 H HE1 . TRP A 1 6 ? -6.341 -3.793 -6.774 1.00 0.00 ? 6 TRP A HE1 19 ATOM 10035 H HE3 . TRP A 1 6 ? -2.219 -3.685 -3.348 1.00 0.00 ? 6 TRP A HE3 19 ATOM 10036 H HZ2 . TRP A 1 6 ? -3.942 -2.653 -7.910 1.00 0.00 ? 6 TRP A HZ2 19 ATOM 10037 H HZ3 . TRP A 1 6 ? -0.759 -2.524 -5.000 1.00 0.00 ? 6 TRP A HZ3 19 ATOM 10038 H HH2 . TRP A 1 6 ? -1.604 -2.001 -7.274 1.00 0.00 ? 6 TRP A HH2 19 ATOM 10039 N N . GLU A 1 7 ? -2.825 -6.611 -0.639 1.00 0.00 ? 7 GLU A N 19 ATOM 10040 C CA . GLU A 1 7 ? -2.383 -6.700 0.757 1.00 0.00 ? 7 GLU A CA 19 ATOM 10041 C C . GLU A 1 7 ? -1.252 -5.686 1.041 1.00 0.00 ? 7 GLU A C 19 ATOM 10042 O O . GLU A 1 7 ? -0.565 -5.233 0.117 1.00 0.00 ? 7 GLU A O 19 ATOM 10043 C CB . GLU A 1 7 ? -1.956 -8.154 1.057 1.00 0.00 ? 7 GLU A CB 19 ATOM 10044 C CG . GLU A 1 7 ? -1.735 -8.472 2.544 1.00 0.00 ? 7 GLU A CG 19 ATOM 10045 C CD . GLU A 1 7 ? -2.909 -7.996 3.417 1.00 0.00 ? 7 GLU A CD 19 ATOM 10046 O OE1 . GLU A 1 7 ? -2.742 -6.981 4.134 1.00 0.00 ? 7 GLU A OE1 19 ATOM 10047 O OE2 . GLU A 1 7 ? -4.010 -8.594 3.344 1.00 0.00 ? 7 GLU A OE2 19 ATOM 10048 H H . GLU A 1 7 ? -2.138 -6.285 -1.313 1.00 0.00 ? 7 GLU A H 19 ATOM 10049 H HA . GLU A 1 7 ? -3.227 -6.441 1.394 1.00 0.00 ? 7 GLU A HA 19 ATOM 10050 H HB2 . GLU A 1 7 ? -2.733 -8.828 0.694 1.00 0.00 ? 7 GLU A HB2 19 ATOM 10051 H HB3 . GLU A 1 7 ? -1.041 -8.381 0.508 1.00 0.00 ? 7 GLU A HB3 19 ATOM 10052 H HG2 . GLU A 1 7 ? -1.607 -9.551 2.657 1.00 0.00 ? 7 GLU A HG2 19 ATOM 10053 H HG3 . GLU A 1 7 ? -0.808 -8.002 2.876 1.00 0.00 ? 7 GLU A HG3 19 ATOM 10054 N N . LYS A 1 8 ? -1.039 -5.317 2.313 1.00 0.00 ? 8 LYS A N 19 ATOM 10055 C CA . LYS A 1 8 ? 0.123 -4.514 2.733 1.00 0.00 ? 8 LYS A CA 19 ATOM 10056 C C . LYS A 1 8 ? 1.455 -5.249 2.553 1.00 0.00 ? 8 LYS A C 19 ATOM 10057 O O . LYS A 1 8 ? 1.550 -6.469 2.724 1.00 0.00 ? 8 LYS A O 19 ATOM 10058 C CB . LYS A 1 8 ? -0.034 -3.974 4.164 1.00 0.00 ? 8 LYS A CB 19 ATOM 10059 C CG . LYS A 1 8 ? -0.953 -2.744 4.173 1.00 0.00 ? 8 LYS A CG 19 ATOM 10060 C CD . LYS A 1 8 ? -1.188 -2.178 5.580 1.00 0.00 ? 8 LYS A CD 19 ATOM 10061 C CE . LYS A 1 8 ? 0.074 -1.517 6.151 1.00 0.00 ? 8 LYS A CE 19 ATOM 10062 N NZ . LYS A 1 8 ? -0.174 -0.956 7.505 1.00 0.00 ? 8 LYS A NZ 19 ATOM 10063 H H . LYS A 1 8 ? -1.628 -5.723 3.037 1.00 0.00 ? 8 LYS A H 19 ATOM 10064 H HA . LYS A 1 8 ? 0.179 -3.651 2.066 1.00 0.00 ? 8 LYS A HA 19 ATOM 10065 H HB2 . LYS A 1 8 ? -0.436 -4.754 4.813 1.00 0.00 ? 8 LYS A HB2 19 ATOM 10066 H HB3 . LYS A 1 8 ? 0.944 -3.677 4.543 1.00 0.00 ? 8 LYS A HB3 19 ATOM 10067 H HG2 . LYS A 1 8 ? -0.513 -1.962 3.548 1.00 0.00 ? 8 LYS A HG2 19 ATOM 10068 H HG3 . LYS A 1 8 ? -1.913 -3.031 3.747 1.00 0.00 ? 8 LYS A HG3 19 ATOM 10069 H HD2 . LYS A 1 8 ? -1.980 -1.430 5.520 1.00 0.00 ? 8 LYS A HD2 19 ATOM 10070 H HD3 . LYS A 1 8 ? -1.521 -2.980 6.242 1.00 0.00 ? 8 LYS A HD3 19 ATOM 10071 H HE2 . LYS A 1 8 ? 0.885 -2.250 6.199 1.00 0.00 ? 8 LYS A HE2 19 ATOM 10072 H HE3 . LYS A 1 8 ? 0.386 -0.719 5.472 1.00 0.00 ? 8 LYS A HE3 19 ATOM 10073 H HZ1 . LYS A 1 8 ? -0.456 -1.679 8.155 1.00 0.00 ? 8 LYS A HZ1 19 ATOM 10074 H HZ2 . LYS A 1 8 ? 0.659 -0.519 7.877 1.00 0.00 ? 8 LYS A HZ2 19 ATOM 10075 H HZ3 . LYS A 1 8 ? -0.903 -0.256 7.484 1.00 0.00 ? 8 LYS A HZ3 19 ATOM 10076 N N . ARG A 1 9 ? 2.485 -4.479 2.205 1.00 0.00 ? 9 ARG A N 19 ATOM 10077 C CA . ARG A 1 9 ? 3.838 -4.923 1.829 1.00 0.00 ? 9 ARG A CA 19 ATOM 10078 C C . ARG A 1 9 ? 4.878 -3.936 2.378 1.00 0.00 ? 9 ARG A C 19 ATOM 10079 O O . ARG A 1 9 ? 4.528 -2.818 2.764 1.00 0.00 ? 9 ARG A O 19 ATOM 10080 C CB . ARG A 1 9 ? 3.876 -5.010 0.289 1.00 0.00 ? 9 ARG A CB 19 ATOM 10081 C CG . ARG A 1 9 ? 4.744 -6.143 -0.279 1.00 0.00 ? 9 ARG A CG 19 ATOM 10082 C CD . ARG A 1 9 ? 4.150 -7.527 0.013 1.00 0.00 ? 9 ARG A CD 19 ATOM 10083 N NE . ARG A 1 9 ? 4.840 -8.577 -0.762 1.00 0.00 ? 9 ARG A NE 19 ATOM 10084 C CZ . ARG A 1 9 ? 4.387 -9.790 -1.024 1.00 0.00 ? 9 ARG A CZ 19 ATOM 10085 N NH1 . ARG A 1 9 ? 5.077 -10.600 -1.775 1.00 0.00 ? 9 ARG A NH1 19 ATOM 10086 N NH2 . ARG A 1 9 ? 3.255 -10.229 -0.552 1.00 0.00 ? 9 ARG A NH2 19 ATOM 10087 H H . ARG A 1 9 ? 2.288 -3.488 2.104 1.00 0.00 ? 9 ARG A H 19 ATOM 10088 H HA . ARG A 1 9 ? 4.035 -5.899 2.275 1.00 0.00 ? 9 ARG A HA 19 ATOM 10089 H HB2 . ARG A 1 9 ? 2.865 -5.153 -0.096 1.00 0.00 ? 9 ARG A HB2 19 ATOM 10090 H HB3 . ARG A 1 9 ? 4.225 -4.057 -0.107 1.00 0.00 ? 9 ARG A HB3 19 ATOM 10091 H HG2 . ARG A 1 9 ? 4.789 -6.016 -1.363 1.00 0.00 ? 9 ARG A HG2 19 ATOM 10092 H HG3 . ARG A 1 9 ? 5.755 -6.081 0.129 1.00 0.00 ? 9 ARG A HG3 19 ATOM 10093 H HD2 . ARG A 1 9 ? 4.239 -7.747 1.080 1.00 0.00 ? 9 ARG A HD2 19 ATOM 10094 H HD3 . ARG A 1 9 ? 3.091 -7.513 -0.262 1.00 0.00 ? 9 ARG A HD3 19 ATOM 10095 H HE . ARG A 1 9 ? 5.736 -8.341 -1.161 1.00 0.00 ? 9 ARG A HE 19 ATOM 10096 H HH11 . ARG A 1 9 ? 5.957 -10.302 -2.167 1.00 0.00 ? 9 ARG A HH11 19 ATOM 10097 H HH12 . ARG A 1 9 ? 4.732 -11.526 -1.971 1.00 0.00 ? 9 ARG A HH12 19 ATOM 10098 H HH21 . ARG A 1 9 ? 2.717 -9.639 0.061 1.00 0.00 ? 9 ARG A HH21 19 ATOM 10099 H HH22 . ARG A 1 9 ? 2.944 -11.164 -0.756 1.00 0.00 ? 9 ARG A HH22 19 ATOM 10100 N N . MET A 1 10 ? 6.155 -4.319 2.418 1.00 0.00 ? 10 MET A N 19 ATOM 10101 C CA . MET A 1 10 ? 7.215 -3.480 2.995 1.00 0.00 ? 10 MET A CA 19 ATOM 10102 C C . MET A 1 10 ? 8.598 -3.796 2.407 1.00 0.00 ? 10 MET A C 19 ATOM 10103 O O . MET A 1 10 ? 8.973 -4.959 2.237 1.00 0.00 ? 10 MET A O 19 ATOM 10104 C CB . MET A 1 10 ? 7.226 -3.636 4.528 1.00 0.00 ? 10 MET A CB 19 ATOM 10105 C CG . MET A 1 10 ? 8.097 -2.583 5.226 1.00 0.00 ? 10 MET A CG 19 ATOM 10106 S SD . MET A 1 10 ? 8.235 -2.765 7.025 1.00 0.00 ? 10 MET A SD 19 ATOM 10107 C CE . MET A 1 10 ? 9.376 -4.173 7.114 1.00 0.00 ? 10 MET A CE 19 ATOM 10108 H H . MET A 1 10 ? 6.399 -5.240 2.086 1.00 0.00 ? 10 MET A H 19 ATOM 10109 H HA . MET A 1 10 ? 6.987 -2.441 2.761 1.00 0.00 ? 10 MET A HA 19 ATOM 10110 H HB2 . MET A 1 10 ? 6.209 -3.536 4.911 1.00 0.00 ? 10 MET A HB2 19 ATOM 10111 H HB3 . MET A 1 10 ? 7.586 -4.634 4.781 1.00 0.00 ? 10 MET A HB3 19 ATOM 10112 H HG2 . MET A 1 10 ? 9.102 -2.600 4.806 1.00 0.00 ? 10 MET A HG2 19 ATOM 10113 H HG3 . MET A 1 10 ? 7.666 -1.604 5.025 1.00 0.00 ? 10 MET A HG3 19 ATOM 10114 H HE1 . MET A 1 10 ? 9.612 -4.387 8.158 1.00 0.00 ? 10 MET A HE1 19 ATOM 10115 H HE2 . MET A 1 10 ? 8.918 -5.056 6.667 1.00 0.00 ? 10 MET A HE2 19 ATOM 10116 H HE3 . MET A 1 10 ? 10.299 -3.936 6.582 1.00 0.00 ? 10 MET A HE3 19 ATOM 10117 N N . PHE A 1 11 ? 9.353 -2.741 2.102 1.00 0.00 ? 11 PHE A N 19 ATOM 10118 C CA . PHE A 1 11 ? 10.742 -2.781 1.643 1.00 0.00 ? 11 PHE A CA 19 ATOM 10119 C C . PHE A 1 11 ? 11.783 -3.122 2.724 1.00 0.00 ? 11 PHE A C 19 ATOM 10120 O O . PHE A 1 11 ? 11.530 -2.941 3.918 1.00 0.00 ? 11 PHE A O 19 ATOM 10121 C CB . PHE A 1 11 ? 11.072 -1.461 0.931 1.00 0.00 ? 11 PHE A CB 19 ATOM 10122 C CG . PHE A 1 11 ? 10.373 -1.253 -0.398 1.00 0.00 ? 11 PHE A CG 19 ATOM 10123 C CD1 . PHE A 1 11 ? 10.764 -1.984 -1.537 1.00 0.00 ? 11 PHE A CD1 19 ATOM 10124 C CD2 . PHE A 1 11 ? 9.339 -0.303 -0.499 1.00 0.00 ? 11 PHE A CD2 19 ATOM 10125 C CE1 . PHE A 1 11 ? 10.120 -1.766 -2.769 1.00 0.00 ? 11 PHE A CE1 19 ATOM 10126 C CE2 . PHE A 1 11 ? 8.699 -0.083 -1.730 1.00 0.00 ? 11 PHE A CE2 19 ATOM 10127 C CZ . PHE A 1 11 ? 9.088 -0.815 -2.866 1.00 0.00 ? 11 PHE A CZ 19 ATOM 10128 H H . PHE A 1 11 ? 8.956 -1.822 2.276 1.00 0.00 ? 11 PHE A H 19 ATOM 10129 H HA . PHE A 1 11 ? 10.819 -3.573 0.896 1.00 0.00 ? 11 PHE A HA 19 ATOM 10130 H HB2 . PHE A 1 11 ? 10.804 -0.642 1.600 1.00 0.00 ? 11 PHE A HB2 19 ATOM 10131 H HB3 . PHE A 1 11 ? 12.148 -1.413 0.744 1.00 0.00 ? 11 PHE A HB3 19 ATOM 10132 H HD1 . PHE A 1 11 ? 11.561 -2.712 -1.467 1.00 0.00 ? 11 PHE A HD1 19 ATOM 10133 H HD2 . PHE A 1 11 ? 9.028 0.256 0.370 1.00 0.00 ? 11 PHE A HD2 19 ATOM 10134 H HE1 . PHE A 1 11 ? 10.417 -2.331 -3.643 1.00 0.00 ? 11 PHE A HE1 19 ATOM 10135 H HE2 . PHE A 1 11 ? 7.894 0.634 -1.793 1.00 0.00 ? 11 PHE A HE2 19 ATOM 10136 H HZ . PHE A 1 11 ? 8.587 -0.653 -3.812 1.00 0.00 ? 11 PHE A HZ 19 ATOM 10137 N N . ALA A 1 12 ? 12.986 -3.547 2.322 1.00 0.00 ? 12 ALA A N 19 ATOM 10138 C CA . ALA A 1 12 ? 14.094 -3.856 3.239 1.00 0.00 ? 12 ALA A CA 19 ATOM 10139 C C . ALA A 1 12 ? 14.583 -2.639 4.063 1.00 0.00 ? 12 ALA A C 19 ATOM 10140 O O . ALA A 1 12 ? 15.152 -2.809 5.145 1.00 0.00 ? 12 ALA A O 19 ATOM 10141 C CB . ALA A 1 12 ? 15.235 -4.457 2.409 1.00 0.00 ? 12 ALA A CB 19 ATOM 10142 H H . ALA A 1 12 ? 13.143 -3.678 1.332 1.00 0.00 ? 12 ALA A H 19 ATOM 10143 H HA . ALA A 1 12 ? 13.752 -4.612 3.948 1.00 0.00 ? 12 ALA A HA 19 ATOM 10144 H HB1 . ALA A 1 12 ? 15.601 -3.724 1.688 1.00 0.00 ? 12 ALA A HB1 19 ATOM 10145 H HB2 . ALA A 1 12 ? 16.054 -4.746 3.068 1.00 0.00 ? 12 ALA A HB2 19 ATOM 10146 H HB3 . ALA A 1 12 ? 14.883 -5.342 1.879 1.00 0.00 ? 12 ALA A HB3 19 ATOM 10147 N N . ASN A 1 13 ? 14.338 -1.415 3.579 1.00 0.00 ? 13 ASN A N 19 ATOM 10148 C CA . ASN A 1 13 ? 14.605 -0.151 4.283 1.00 0.00 ? 13 ASN A CA 19 ATOM 10149 C C . ASN A 1 13 ? 13.534 0.232 5.339 1.00 0.00 ? 13 ASN A C 19 ATOM 10150 O O . ASN A 1 13 ? 13.703 1.231 6.046 1.00 0.00 ? 13 ASN A O 19 ATOM 10151 C CB . ASN A 1 13 ? 14.809 0.968 3.236 1.00 0.00 ? 13 ASN A CB 19 ATOM 10152 C CG . ASN A 1 13 ? 13.601 1.222 2.343 1.00 0.00 ? 13 ASN A CG 19 ATOM 10153 O OD1 . ASN A 1 13 ? 12.486 0.831 2.672 1.00 0.00 ? 13 ASN A OD1 19 ATOM 10154 N ND2 . ASN A 1 13 ? 13.811 1.890 1.218 1.00 0.00 ? 13 ASN A ND2 19 ATOM 10155 H H . ASN A 1 13 ? 13.875 -1.362 2.683 1.00 0.00 ? 13 ASN A H 19 ATOM 10156 H HA . ASN A 1 13 ? 15.542 -0.259 4.832 1.00 0.00 ? 13 ASN A HA 19 ATOM 10157 H HB2 . ASN A 1 13 ? 15.054 1.902 3.746 1.00 0.00 ? 13 ASN A HB2 19 ATOM 10158 H HB3 . ASN A 1 13 ? 15.654 0.693 2.600 1.00 0.00 ? 13 ASN A HB3 19 ATOM 10159 H HD21 . ASN A 1 13 ? 14.752 2.175 0.992 1.00 0.00 ? 13 ASN A HD21 19 ATOM 10160 N N . GLY A 1 14 ? 12.438 -0.532 5.456 1.00 0.00 ? 14 GLY A N 19 ATOM 10161 C CA . GLY A 1 14 ? 11.339 -0.286 6.398 1.00 0.00 ? 14 GLY A CA 19 ATOM 10162 C C . GLY A 1 14 ? 10.196 0.604 5.877 1.00 0.00 ? 14 GLY A C 19 ATOM 10163 O O . GLY A 1 14 ? 9.383 1.069 6.681 1.00 0.00 ? 14 GLY A O 19 ATOM 10164 H H . GLY A 1 14 ? 12.355 -1.339 4.848 1.00 0.00 ? 14 GLY A H 19 ATOM 10165 H HA2 . GLY A 1 14 ? 10.901 -1.251 6.660 1.00 0.00 ? 14 GLY A HA2 19 ATOM 10166 H HA3 . GLY A 1 14 ? 11.733 0.171 7.309 1.00 0.00 ? 14 GLY A HA3 19 ATOM 10167 N N . THR A 1 15 ? 10.093 0.838 4.564 1.00 0.00 ? 15 THR A N 19 ATOM 10168 C CA . THR A 1 15 ? 9.037 1.674 3.953 1.00 0.00 ? 15 THR A CA 19 ATOM 10169 C C . THR A 1 15 ? 7.893 0.760 3.506 1.00 0.00 ? 15 THR A C 19 ATOM 10170 O O . THR A 1 15 ? 8.114 -0.242 2.824 1.00 0.00 ? 15 THR A O 19 ATOM 10171 C CB . THR A 1 15 ? 9.600 2.427 2.733 1.00 0.00 ? 15 THR A CB 19 ATOM 10172 O OG1 . THR A 1 15 ? 10.452 3.457 3.184 1.00 0.00 ? 15 THR A OG1 19 ATOM 10173 C CG2 . THR A 1 15 ? 8.545 3.090 1.844 1.00 0.00 ? 15 THR A CG2 19 ATOM 10174 H H . THR A 1 15 ? 10.823 0.485 3.956 1.00 0.00 ? 15 THR A H 19 ATOM 10175 H HA . THR A 1 15 ? 8.659 2.405 4.668 1.00 0.00 ? 15 THR A HA 19 ATOM 10176 H HB . THR A 1 15 ? 10.170 1.733 2.114 1.00 0.00 ? 15 THR A HB 19 ATOM 10177 H HG1 . THR A 1 15 ? 10.925 3.787 2.399 1.00 0.00 ? 15 THR A HG1 19 ATOM 10178 H HG21 . THR A 1 15 ? 9.035 3.709 1.091 1.00 0.00 ? 15 THR A HG21 19 ATOM 10179 H HG22 . THR A 1 15 ? 7.959 2.331 1.326 1.00 0.00 ? 15 THR A HG22 19 ATOM 10180 H HG23 . THR A 1 15 ? 7.885 3.712 2.448 1.00 0.00 ? 15 THR A HG23 19 ATOM 10181 N N . VAL A 1 16 ? 6.657 1.121 3.866 1.00 0.00 ? 16 VAL A N 19 ATOM 10182 C CA . VAL A 1 16 ? 5.435 0.329 3.617 1.00 0.00 ? 16 VAL A CA 19 ATOM 10183 C C . VAL A 1 16 ? 4.768 0.803 2.320 1.00 0.00 ? 16 VAL A C 19 ATOM 10184 O O . VAL A 1 16 ? 4.775 1.994 1.991 1.00 0.00 ? 16 VAL A O 19 ATOM 10185 C CB . VAL A 1 16 ? 4.464 0.470 4.812 1.00 0.00 ? 16 VAL A CB 19 ATOM 10186 C CG1 . VAL A 1 16 ? 3.045 -0.060 4.560 1.00 0.00 ? 16 VAL A CG1 19 ATOM 10187 C CG2 . VAL A 1 16 ? 5.007 -0.284 6.033 1.00 0.00 ? 16 VAL A CG2 19 ATOM 10188 H H . VAL A 1 16 ? 6.552 1.981 4.386 1.00 0.00 ? 16 VAL A H 19 ATOM 10189 H HA . VAL A 1 16 ? 5.692 -0.723 3.507 1.00 0.00 ? 16 VAL A HA 19 ATOM 10190 H HB . VAL A 1 16 ? 4.379 1.527 5.071 1.00 0.00 ? 16 VAL A HB 19 ATOM 10191 H HG11 . VAL A 1 16 ? 2.552 0.521 3.781 1.00 0.00 ? 16 VAL A HG11 19 ATOM 10192 H HG12 . VAL A 1 16 ? 3.079 -1.110 4.267 1.00 0.00 ? 16 VAL A HG12 19 ATOM 10193 H HG13 . VAL A 1 16 ? 2.455 0.041 5.470 1.00 0.00 ? 16 VAL A HG13 19 ATOM 10194 H HG21 . VAL A 1 16 ? 4.333 -0.150 6.879 1.00 0.00 ? 16 VAL A HG21 19 ATOM 10195 H HG22 . VAL A 1 16 ? 5.082 -1.349 5.808 1.00 0.00 ? 16 VAL A HG22 19 ATOM 10196 H HG23 . VAL A 1 16 ? 5.992 0.097 6.307 1.00 0.00 ? 16 VAL A HG23 19 ATOM 10197 N N . TYR A 1 17 ? 4.170 -0.140 1.591 1.00 0.00 ? 17 TYR A N 19 ATOM 10198 C CA . TYR A 1 17 ? 3.423 0.077 0.348 1.00 0.00 ? 17 TYR A CA 19 ATOM 10199 C C . TYR A 1 17 ? 2.332 -1.008 0.214 1.00 0.00 ? 17 TYR A C 19 ATOM 10200 O O . TYR A 1 17 ? 2.175 -1.871 1.083 1.00 0.00 ? 17 TYR A O 19 ATOM 10201 C CB . TYR A 1 17 ? 4.413 0.061 -0.835 1.00 0.00 ? 17 TYR A CB 19 ATOM 10202 C CG . TYR A 1 17 ? 5.087 -1.265 -1.157 1.00 0.00 ? 17 TYR A CG 19 ATOM 10203 C CD1 . TYR A 1 17 ? 6.203 -1.696 -0.413 1.00 0.00 ? 17 TYR A CD1 19 ATOM 10204 C CD2 . TYR A 1 17 ? 4.644 -2.028 -2.258 1.00 0.00 ? 17 TYR A CD2 19 ATOM 10205 C CE1 . TYR A 1 17 ? 6.895 -2.865 -0.788 1.00 0.00 ? 17 TYR A CE1 19 ATOM 10206 C CE2 . TYR A 1 17 ? 5.320 -3.207 -2.623 1.00 0.00 ? 17 TYR A CE2 19 ATOM 10207 C CZ . TYR A 1 17 ? 6.462 -3.616 -1.902 1.00 0.00 ? 17 TYR A CZ 19 ATOM 10208 O OH . TYR A 1 17 ? 7.140 -4.733 -2.280 1.00 0.00 ? 17 TYR A OH 19 ATOM 10209 H H . TYR A 1 17 ? 4.179 -1.089 1.952 1.00 0.00 ? 17 TYR A H 19 ATOM 10210 H HA . TYR A 1 17 ? 2.929 1.050 0.377 1.00 0.00 ? 17 TYR A HA 19 ATOM 10211 H HB2 . TYR A 1 17 ? 3.889 0.404 -1.726 1.00 0.00 ? 17 TYR A HB2 19 ATOM 10212 H HB3 . TYR A 1 17 ? 5.192 0.802 -0.645 1.00 0.00 ? 17 TYR A HB3 19 ATOM 10213 H HD1 . TYR A 1 17 ? 6.559 -1.106 0.420 1.00 0.00 ? 17 TYR A HD1 19 ATOM 10214 H HD2 . TYR A 1 17 ? 3.795 -1.695 -2.840 1.00 0.00 ? 17 TYR A HD2 19 ATOM 10215 H HE1 . TYR A 1 17 ? 7.776 -3.170 -0.245 1.00 0.00 ? 17 TYR A HE1 19 ATOM 10216 H HE2 . TYR A 1 17 ? 4.981 -3.797 -3.463 1.00 0.00 ? 17 TYR A HE2 19 ATOM 10217 H HH . TYR A 1 17 ? 7.964 -4.832 -1.789 1.00 0.00 ? 17 TYR A HH 19 ATOM 10218 N N . TYR A 1 18 ? 1.552 -0.961 -0.866 1.00 0.00 ? 18 TYR A N 19 ATOM 10219 C CA . TYR A 1 18 ? 0.482 -1.914 -1.179 1.00 0.00 ? 18 TYR A CA 19 ATOM 10220 C C . TYR A 1 18 ? 0.834 -2.772 -2.399 1.00 0.00 ? 18 TYR A C 19 ATOM 10221 O O . TYR A 1 18 ? 1.373 -2.259 -3.384 1.00 0.00 ? 18 TYR A O 19 ATOM 10222 C CB . TYR A 1 18 ? -0.838 -1.160 -1.382 1.00 0.00 ? 18 TYR A CB 19 ATOM 10223 C CG . TYR A 1 18 ? -1.279 -0.375 -0.160 1.00 0.00 ? 18 TYR A CG 19 ATOM 10224 C CD1 . TYR A 1 18 ? -1.995 -1.012 0.873 1.00 0.00 ? 18 TYR A CD1 19 ATOM 10225 C CD2 . TYR A 1 18 ? -0.939 0.989 -0.043 1.00 0.00 ? 18 TYR A CD2 19 ATOM 10226 C CE1 . TYR A 1 18 ? -2.374 -0.285 2.018 1.00 0.00 ? 18 TYR A CE1 19 ATOM 10227 C CE2 . TYR A 1 18 ? -1.309 1.716 1.104 1.00 0.00 ? 18 TYR A CE2 19 ATOM 10228 C CZ . TYR A 1 18 ? -2.030 1.078 2.139 1.00 0.00 ? 18 TYR A CZ 19 ATOM 10229 O OH . TYR A 1 18 ? -2.389 1.769 3.254 1.00 0.00 ? 18 TYR A OH 19 ATOM 10230 H H . TYR A 1 18 ? 1.716 -0.222 -1.542 1.00 0.00 ? 18 TYR A H 19 ATOM 10231 H HA . TYR A 1 18 ? 0.340 -2.591 -0.336 1.00 0.00 ? 18 TYR A HA 19 ATOM 10232 H HB2 . TYR A 1 18 ? -0.733 -0.477 -2.230 1.00 0.00 ? 18 TYR A HB2 19 ATOM 10233 H HB3 . TYR A 1 18 ? -1.619 -1.885 -1.625 1.00 0.00 ? 18 TYR A HB3 19 ATOM 10234 H HD1 . TYR A 1 18 ? -2.245 -2.062 0.791 1.00 0.00 ? 18 TYR A HD1 19 ATOM 10235 H HD2 . TYR A 1 18 ? -0.384 1.475 -0.836 1.00 0.00 ? 18 TYR A HD2 19 ATOM 10236 H HE1 . TYR A 1 18 ? -2.918 -0.766 2.817 1.00 0.00 ? 18 TYR A HE1 19 ATOM 10237 H HE2 . TYR A 1 18 ? -1.041 2.760 1.193 1.00 0.00 ? 18 TYR A HE2 19 ATOM 10238 H HH . TYR A 1 18 ? -2.082 2.682 3.222 1.00 0.00 ? 18 TYR A HH 19 ATOM 10239 N N . PHE A 1 19 ? 0.517 -4.067 -2.355 1.00 0.00 ? 19 PHE A N 19 ATOM 10240 C CA . PHE A 1 19 ? 0.864 -5.033 -3.400 1.00 0.00 ? 19 PHE A CA 19 ATOM 10241 C C . PHE A 1 19 ? -0.266 -6.015 -3.732 1.00 0.00 ? 19 PHE A C 19 ATOM 10242 O O . PHE A 1 19 ? -0.901 -6.552 -2.823 1.00 0.00 ? 19 PHE A O 19 ATOM 10243 C CB . PHE A 1 19 ? 2.166 -5.751 -3.023 1.00 0.00 ? 19 PHE A CB 19 ATOM 10244 C CG . PHE A 1 19 ? 2.569 -6.819 -4.016 1.00 0.00 ? 19 PHE A CG 19 ATOM 10245 C CD1 . PHE A 1 19 ? 3.082 -6.399 -5.252 1.00 0.00 ? 19 PHE A CD1 19 ATOM 10246 C CD2 . PHE A 1 19 ? 2.401 -8.193 -3.755 1.00 0.00 ? 19 PHE A CD2 19 ATOM 10247 C CE1 . PHE A 1 19 ? 3.422 -7.335 -6.236 1.00 0.00 ? 19 PHE A CE1 19 ATOM 10248 C CE2 . PHE A 1 19 ? 2.770 -9.137 -4.731 1.00 0.00 ? 19 PHE A CE2 19 ATOM 10249 C CZ . PHE A 1 19 ? 3.277 -8.710 -5.973 1.00 0.00 ? 19 PHE A CZ 19 ATOM 10250 H H . PHE A 1 19 ? 0.076 -4.431 -1.514 1.00 0.00 ? 19 PHE A H 19 ATOM 10251 H HA . PHE A 1 19 ? 1.074 -4.497 -4.327 1.00 0.00 ? 19 PHE A HA 19 ATOM 10252 H HB2 . PHE A 1 19 ? 2.968 -5.013 -2.953 1.00 0.00 ? 19 PHE A HB2 19 ATOM 10253 H HB3 . PHE A 1 19 ? 2.041 -6.216 -2.044 1.00 0.00 ? 19 PHE A HB3 19 ATOM 10254 H HD1 . PHE A 1 19 ? 3.192 -5.346 -5.458 1.00 0.00 ? 19 PHE A HD1 19 ATOM 10255 H HD2 . PHE A 1 19 ? 1.980 -8.532 -2.817 1.00 0.00 ? 19 PHE A HD2 19 ATOM 10256 H HE1 . PHE A 1 19 ? 3.779 -6.975 -7.188 1.00 0.00 ? 19 PHE A HE1 19 ATOM 10257 H HE2 . PHE A 1 19 ? 2.653 -10.193 -4.532 1.00 0.00 ? 19 PHE A HE2 19 ATOM 10258 H HZ . PHE A 1 19 ? 3.545 -9.437 -6.729 1.00 0.00 ? 19 PHE A HZ 19 ATOM 10259 N N . ASN A 1 20 ? -0.517 -6.263 -5.020 1.00 0.00 ? 20 ASN A N 19 ATOM 10260 C CA . ASN A 1 20 ? -1.511 -7.228 -5.483 1.00 0.00 ? 20 ASN A CA 19 ATOM 10261 C C . ASN A 1 20 ? -0.842 -8.562 -5.856 1.00 0.00 ? 20 ASN A C 19 ATOM 10262 O O . ASN A 1 20 ? -0.069 -8.632 -6.814 1.00 0.00 ? 20 ASN A O 19 ATOM 10263 C CB . ASN A 1 20 ? -2.296 -6.623 -6.652 1.00 0.00 ? 20 ASN A CB 19 ATOM 10264 C CG . ASN A 1 20 ? -3.546 -7.434 -6.940 1.00 0.00 ? 20 ASN A CG 19 ATOM 10265 O OD1 . ASN A 1 20 ? -3.497 -8.637 -7.144 1.00 0.00 ? 20 ASN A OD1 19 ATOM 10266 N ND2 . ASN A 1 20 ? -4.698 -6.812 -6.971 1.00 0.00 ? 20 ASN A ND2 19 ATOM 10267 H H . ASN A 1 20 ? 0.046 -5.794 -5.721 1.00 0.00 ? 20 ASN A H 19 ATOM 10268 H HA . ASN A 1 20 ? -2.217 -7.415 -4.680 1.00 0.00 ? 20 ASN A HA 19 ATOM 10269 H HB2 . ASN A 1 20 ? -2.584 -5.604 -6.398 1.00 0.00 ? 20 ASN A HB2 19 ATOM 10270 H HB3 . ASN A 1 20 ? -1.674 -6.598 -7.547 1.00 0.00 ? 20 ASN A HB3 19 ATOM 10271 H HD21 . ASN A 1 20 ? -4.747 -5.831 -6.740 1.00 0.00 ? 20 ASN A HD21 19 ATOM 10272 H HD22 . ASN A 1 20 ? -5.544 -7.355 -7.079 1.00 0.00 ? 20 ASN A HD22 19 ATOM 10273 N N . HIS A 1 21 ? -1.162 -9.636 -5.131 1.00 0.00 ? 21 HIS A N 19 ATOM 10274 C CA . HIS A 1 21 ? -0.551 -10.957 -5.343 1.00 0.00 ? 21 HIS A CA 19 ATOM 10275 C C . HIS A 1 21 ? -1.066 -11.675 -6.607 1.00 0.00 ? 21 HIS A C 19 ATOM 10276 O O . HIS A 1 21 ? -0.367 -12.526 -7.161 1.00 0.00 ? 21 HIS A O 19 ATOM 10277 C CB . HIS A 1 21 ? -0.726 -11.805 -4.069 1.00 0.00 ? 21 HIS A CB 19 ATOM 10278 C CG . HIS A 1 21 ? -1.977 -12.658 -4.021 1.00 0.00 ? 21 HIS A CG 19 ATOM 10279 N ND1 . HIS A 1 21 ? -2.107 -13.937 -4.574 1.00 0.00 ? 21 HIS A ND1 19 ATOM 10280 C CD2 . HIS A 1 21 ? -3.132 -12.351 -3.363 1.00 0.00 ? 21 HIS A CD2 19 ATOM 10281 C CE1 . HIS A 1 21 ? -3.341 -14.360 -4.252 1.00 0.00 ? 21 HIS A CE1 19 ATOM 10282 N NE2 . HIS A 1 21 ? -3.980 -13.426 -3.526 1.00 0.00 ? 21 HIS A NE2 19 ATOM 10283 H H . HIS A 1 21 ? -1.844 -9.528 -4.386 1.00 0.00 ? 21 HIS A H 19 ATOM 10284 H HA . HIS A 1 21 ? 0.519 -10.809 -5.492 1.00 0.00 ? 21 HIS A HA 19 ATOM 10285 H HB2 . HIS A 1 21 ? 0.136 -12.473 -4.000 1.00 0.00 ? 21 HIS A HB2 19 ATOM 10286 H HB3 . HIS A 1 21 ? -0.704 -11.154 -3.190 1.00 0.00 ? 21 HIS A HB3 19 ATOM 10287 H HD2 . HIS A 1 21 ? -3.335 -11.443 -2.815 1.00 0.00 ? 21 HIS A HD2 19 ATOM 10288 H HE1 . HIS A 1 21 ? -3.763 -15.321 -4.529 1.00 0.00 ? 21 HIS A HE1 19 ATOM 10289 H HE2 . HIS A 1 21 ? -4.919 -13.521 -3.150 1.00 0.00 ? 21 HIS A HE2 19 ATOM 10290 N N . ILE A 1 22 ? -2.267 -11.320 -7.086 1.00 0.00 ? 22 ILE A N 19 ATOM 10291 C CA . ILE A 1 22 ? -2.927 -11.918 -8.257 1.00 0.00 ? 22 ILE A CA 19 ATOM 10292 C C . ILE A 1 22 ? -2.404 -11.298 -9.563 1.00 0.00 ? 22 ILE A C 19 ATOM 10293 O O . ILE A 1 22 ? -2.175 -12.006 -10.548 1.00 0.00 ? 22 ILE A O 19 ATOM 10294 C CB . ILE A 1 22 ? -4.463 -11.725 -8.135 1.00 0.00 ? 22 ILE A CB 19 ATOM 10295 C CG1 . ILE A 1 22 ? -4.981 -12.295 -6.789 1.00 0.00 ? 22 ILE A CG1 19 ATOM 10296 C CG2 . ILE A 1 22 ? -5.186 -12.382 -9.323 1.00 0.00 ? 22 ILE A CG2 19 ATOM 10297 C CD1 . ILE A 1 22 ? -6.500 -12.222 -6.584 1.00 0.00 ? 22 ILE A CD1 19 ATOM 10298 H H . ILE A 1 22 ? -2.763 -10.575 -6.614 1.00 0.00 ? 22 ILE A H 19 ATOM 10299 H HA . ILE A 1 22 ? -2.714 -12.987 -8.281 1.00 0.00 ? 22 ILE A HA 19 ATOM 10300 H HB . ILE A 1 22 ? -4.683 -10.653 -8.164 1.00 0.00 ? 22 ILE A HB 19 ATOM 10301 H HG12 . ILE A 1 22 ? -4.671 -13.338 -6.695 1.00 0.00 ? 22 ILE A HG12 19 ATOM 10302 H HG13 . ILE A 1 22 ? -4.527 -11.732 -5.972 1.00 0.00 ? 22 ILE A HG13 19 ATOM 10303 H HG21 . ILE A 1 22 ? -4.840 -11.956 -10.265 1.00 0.00 ? 22 ILE A HG21 19 ATOM 10304 H HG22 . ILE A 1 22 ? -5.003 -13.456 -9.322 1.00 0.00 ? 22 ILE A HG22 19 ATOM 10305 H HG23 . ILE A 1 22 ? -6.257 -12.195 -9.266 1.00 0.00 ? 22 ILE A HG23 19 ATOM 10306 H HD11 . ILE A 1 22 ? -6.857 -11.213 -6.792 1.00 0.00 ? 22 ILE A HD11 19 ATOM 10307 H HD12 . ILE A 1 22 ? -7.007 -12.933 -7.237 1.00 0.00 ? 22 ILE A HD12 19 ATOM 10308 H HD13 . ILE A 1 22 ? -6.733 -12.476 -5.550 1.00 0.00 ? 22 ILE A HD13 19 ATOM 10309 N N . THR A 1 23 ? -2.190 -9.980 -9.563 1.00 0.00 ? 23 THR A N 19 ATOM 10310 C CA . THR A 1 23 ? -1.862 -9.161 -10.747 1.00 0.00 ? 23 THR A CA 19 ATOM 10311 C C . THR A 1 23 ? -0.431 -8.622 -10.817 1.00 0.00 ? 23 THR A C 19 ATOM 10312 O O . THR A 1 23 ? -0.024 -8.079 -11.848 1.00 0.00 ? 23 THR A O 19 ATOM 10313 C CB . THR A 1 23 ? -2.886 -8.030 -10.938 1.00 0.00 ? 23 THR A CB 19 ATOM 10314 O OG1 . THR A 1 23 ? -2.602 -6.985 -10.037 1.00 0.00 ? 23 THR A OG1 19 ATOM 10315 C CG2 . THR A 1 23 ? -4.342 -8.427 -10.692 1.00 0.00 ? 23 THR A CG2 19 ATOM 10316 H H . THR A 1 23 ? -2.429 -9.481 -8.712 1.00 0.00 ? 23 THR A H 19 ATOM 10317 H HA . THR A 1 23 ? -1.967 -9.797 -11.626 1.00 0.00 ? 23 THR A HA 19 ATOM 10318 H HB . THR A 1 23 ? -2.798 -7.645 -11.955 1.00 0.00 ? 23 THR A HB 19 ATOM 10319 H HG1 . THR A 1 23 ? -3.455 -6.593 -9.815 1.00 0.00 ? 23 THR A HG1 19 ATOM 10320 H HG21 . THR A 1 23 ? -4.584 -9.305 -11.291 1.00 0.00 ? 23 THR A HG21 19 ATOM 10321 H HG22 . THR A 1 23 ? -4.510 -8.648 -9.639 1.00 0.00 ? 23 THR A HG22 19 ATOM 10322 H HG23 . THR A 1 23 ? -4.996 -7.607 -10.990 1.00 0.00 ? 23 THR A HG23 19 ATOM 10323 N N . ASN A 1 24 ? 0.340 -8.771 -9.735 1.00 0.00 ? 24 ASN A N 19 ATOM 10324 C CA . ASN A 1 24 ? 1.673 -8.190 -9.521 1.00 0.00 ? 24 ASN A CA 19 ATOM 10325 C C . ASN A 1 24 ? 1.725 -6.643 -9.556 1.00 0.00 ? 24 ASN A C 19 ATOM 10326 O O . ASN A 1 24 ? 2.815 -6.063 -9.614 1.00 0.00 ? 24 ASN A O 19 ATOM 10327 C CB . ASN A 1 24 ? 2.724 -8.884 -10.413 1.00 0.00 ? 24 ASN A CB 19 ATOM 10328 C CG . ASN A 1 24 ? 2.796 -10.384 -10.175 1.00 0.00 ? 24 ASN A CG 19 ATOM 10329 O OD1 . ASN A 1 24 ? 3.121 -10.854 -9.093 1.00 0.00 ? 24 ASN A OD1 19 ATOM 10330 N ND2 . ASN A 1 24 ? 2.543 -11.188 -11.184 1.00 0.00 ? 24 ASN A ND2 19 ATOM 10331 H H . ASN A 1 24 ? -0.084 -9.213 -8.928 1.00 0.00 ? 24 ASN A H 19 ATOM 10332 H HA . ASN A 1 24 ? 1.938 -8.438 -8.492 1.00 0.00 ? 24 ASN A HA 19 ATOM 10333 H HB2 . ASN A 1 24 ? 2.504 -8.685 -11.463 1.00 0.00 ? 24 ASN A HB2 19 ATOM 10334 H HB3 . ASN A 1 24 ? 3.711 -8.477 -10.187 1.00 0.00 ? 24 ASN A HB3 19 ATOM 10335 H HD21 . ASN A 1 24 ? 2.288 -10.804 -12.085 1.00 0.00 ? 24 ASN A HD21 19 ATOM 10336 H HD22 . ASN A 1 24 ? 2.604 -12.186 -11.029 1.00 0.00 ? 24 ASN A HD22 19 ATOM 10337 N N . ALA A 1 25 ? 0.575 -5.958 -9.503 1.00 0.00 ? 25 ALA A N 19 ATOM 10338 C CA . ALA A 1 25 ? 0.509 -4.501 -9.361 1.00 0.00 ? 25 ALA A CA 19 ATOM 10339 C C . ALA A 1 25 ? 1.026 -4.028 -7.983 1.00 0.00 ? 25 ALA A C 19 ATOM 10340 O O . ALA A 1 25 ? 0.942 -4.755 -6.990 1.00 0.00 ? 25 ALA A O 19 ATOM 10341 C CB . ALA A 1 25 ? -0.933 -4.044 -9.615 1.00 0.00 ? 25 ALA A CB 19 ATOM 10342 H H . ALA A 1 25 ? -0.296 -6.474 -9.486 1.00 0.00 ? 25 ALA A H 19 ATOM 10343 H HA . ALA A 1 25 ? 1.143 -4.052 -10.127 1.00 0.00 ? 25 ALA A HA 19 ATOM 10344 H HB1 . ALA A 1 25 ? -1.260 -4.382 -10.599 1.00 0.00 ? 25 ALA A HB1 19 ATOM 10345 H HB2 . ALA A 1 25 ? -1.596 -4.456 -8.854 1.00 0.00 ? 25 ALA A HB2 19 ATOM 10346 H HB3 . ALA A 1 25 ? -0.985 -2.956 -9.583 1.00 0.00 ? 25 ALA A HB3 19 ATOM 10347 N N . SER A 1 26 ? 1.534 -2.794 -7.910 1.00 0.00 ? 26 SER A N 19 ATOM 10348 C CA . SER A 1 26 ? 2.030 -2.170 -6.671 1.00 0.00 ? 26 SER A CA 19 ATOM 10349 C C . SER A 1 26 ? 1.717 -0.665 -6.616 1.00 0.00 ? 26 SER A C 19 ATOM 10350 O O . SER A 1 26 ? 1.679 0.003 -7.654 1.00 0.00 ? 26 SER A O 19 ATOM 10351 C CB . SER A 1 26 ? 3.534 -2.416 -6.488 1.00 0.00 ? 26 SER A CB 19 ATOM 10352 O OG . SER A 1 26 ? 4.304 -1.854 -7.539 1.00 0.00 ? 26 SER A OG 19 ATOM 10353 H H . SER A 1 26 ? 1.544 -2.229 -8.749 1.00 0.00 ? 26 SER A H 19 ATOM 10354 H HA . SER A 1 26 ? 1.534 -2.652 -5.831 1.00 0.00 ? 26 SER A HA 19 ATOM 10355 H HB2 . SER A 1 26 ? 3.850 -1.978 -5.539 1.00 0.00 ? 26 SER A HB2 19 ATOM 10356 H HB3 . SER A 1 26 ? 3.722 -3.488 -6.445 1.00 0.00 ? 26 SER A HB3 19 ATOM 10357 H HG . SER A 1 26 ? 4.166 -2.395 -8.329 1.00 0.00 ? 26 SER A HG 19 ATOM 10358 N N . GLN A 1 27 ? 1.498 -0.123 -5.412 1.00 0.00 ? 27 GLN A N 19 ATOM 10359 C CA . GLN A 1 27 ? 1.212 1.302 -5.173 1.00 0.00 ? 27 GLN A CA 19 ATOM 10360 C C . GLN A 1 27 ? 1.739 1.821 -3.828 1.00 0.00 ? 27 GLN A C 19 ATOM 10361 O O . GLN A 1 27 ? 1.662 1.134 -2.809 1.00 0.00 ? 27 GLN A O 19 ATOM 10362 C CB . GLN A 1 27 ? -0.303 1.580 -5.191 1.00 0.00 ? 27 GLN A CB 19 ATOM 10363 C CG . GLN A 1 27 ? -0.966 1.550 -6.573 1.00 0.00 ? 27 GLN A CG 19 ATOM 10364 C CD . GLN A 1 27 ? -2.463 1.887 -6.567 1.00 0.00 ? 27 GLN A CD 19 ATOM 10365 O OE1 . GLN A 1 27 ? -3.154 1.719 -7.565 1.00 0.00 ? 27 GLN A OE1 19 ATOM 10366 N NE2 . GLN A 1 27 ? -3.026 2.440 -5.511 1.00 0.00 ? 27 GLN A NE2 19 ATOM 10367 H H . GLN A 1 27 ? 1.526 -0.735 -4.601 1.00 0.00 ? 27 GLN A H 19 ATOM 10368 H HA . GLN A 1 27 ? 1.681 1.896 -5.958 1.00 0.00 ? 27 GLN A HA 19 ATOM 10369 H HB2 . GLN A 1 27 ? -0.810 0.876 -4.528 1.00 0.00 ? 27 GLN A HB2 19 ATOM 10370 H HB3 . GLN A 1 27 ? -0.445 2.589 -4.805 1.00 0.00 ? 27 GLN A HB3 19 ATOM 10371 H HG2 . GLN A 1 27 ? -0.459 2.289 -7.193 1.00 0.00 ? 27 GLN A HG2 19 ATOM 10372 H HG3 . GLN A 1 27 ? -0.844 0.561 -7.008 1.00 0.00 ? 27 GLN A HG3 19 ATOM 10373 H HE21 . GLN A 1 27 ? -2.496 2.583 -4.653 1.00 0.00 ? 27 GLN A HE21 19 ATOM 10374 H HE22 . GLN A 1 27 ? -3.997 2.709 -5.572 1.00 0.00 ? 27 GLN A HE22 19 ATOM 10375 N N . PHE A 1 28 ? 2.205 3.074 -3.810 1.00 0.00 ? 28 PHE A N 19 ATOM 10376 C CA . PHE A 1 28 ? 2.536 3.809 -2.580 1.00 0.00 ? 28 PHE A CA 19 ATOM 10377 C C . PHE A 1 28 ? 1.332 4.422 -1.835 1.00 0.00 ? 28 PHE A C 19 ATOM 10378 O O . PHE A 1 28 ? 1.410 4.730 -0.644 1.00 0.00 ? 28 PHE A O 19 ATOM 10379 C CB . PHE A 1 28 ? 3.663 4.821 -2.832 1.00 0.00 ? 28 PHE A CB 19 ATOM 10380 C CG . PHE A 1 28 ? 5.042 4.199 -2.964 1.00 0.00 ? 28 PHE A CG 19 ATOM 10381 C CD1 . PHE A 1 28 ? 5.793 3.892 -1.813 1.00 0.00 ? 28 PHE A CD1 19 ATOM 10382 C CD2 . PHE A 1 28 ? 5.582 3.940 -4.239 1.00 0.00 ? 28 PHE A CD2 19 ATOM 10383 C CE1 . PHE A 1 28 ? 7.083 3.342 -1.936 1.00 0.00 ? 28 PHE A CE1 19 ATOM 10384 C CE2 . PHE A 1 28 ? 6.869 3.384 -4.361 1.00 0.00 ? 28 PHE A CE2 19 ATOM 10385 C CZ . PHE A 1 28 ? 7.621 3.091 -3.211 1.00 0.00 ? 28 PHE A CZ 19 ATOM 10386 H H . PHE A 1 28 ? 2.272 3.573 -4.687 1.00 0.00 ? 28 PHE A H 19 ATOM 10387 H HA . PHE A 1 28 ? 2.944 3.086 -1.873 1.00 0.00 ? 28 PHE A HA 19 ATOM 10388 H HB2 . PHE A 1 28 ? 3.432 5.402 -3.729 1.00 0.00 ? 28 PHE A HB2 19 ATOM 10389 H HB3 . PHE A 1 28 ? 3.700 5.514 -1.987 1.00 0.00 ? 28 PHE A HB3 19 ATOM 10390 H HD1 . PHE A 1 28 ? 5.384 4.085 -0.830 1.00 0.00 ? 28 PHE A HD1 19 ATOM 10391 H HD2 . PHE A 1 28 ? 5.012 4.171 -5.128 1.00 0.00 ? 28 PHE A HD2 19 ATOM 10392 H HE1 . PHE A 1 28 ? 7.660 3.115 -1.051 1.00 0.00 ? 28 PHE A HE1 19 ATOM 10393 H HE2 . PHE A 1 28 ? 7.282 3.188 -5.343 1.00 0.00 ? 28 PHE A HE2 19 ATOM 10394 H HZ . PHE A 1 28 ? 8.613 2.667 -3.307 1.00 0.00 ? 28 PHE A HZ 19 ATOM 10395 N N . GLU A 1 29 ? 0.209 4.575 -2.545 1.00 0.00 ? 29 GLU A N 19 ATOM 10396 C CA . GLU A 1 29 ? -1.101 5.020 -2.042 1.00 0.00 ? 29 GLU A CA 19 ATOM 10397 C C . GLU A 1 29 ? -2.114 3.860 -2.050 1.00 0.00 ? 29 GLU A C 19 ATOM 10398 O O . GLU A 1 29 ? -1.985 2.936 -2.859 1.00 0.00 ? 29 GLU A O 19 ATOM 10399 C CB . GLU A 1 29 ? -1.563 6.233 -2.879 1.00 0.00 ? 29 GLU A CB 19 ATOM 10400 C CG . GLU A 1 29 ? -3.033 6.689 -2.782 1.00 0.00 ? 29 GLU A CG 19 ATOM 10401 C CD . GLU A 1 29 ? -3.529 7.105 -1.379 1.00 0.00 ? 29 GLU A CD 19 ATOM 10402 O OE1 . GLU A 1 29 ? -4.582 7.782 -1.298 1.00 0.00 ? 29 GLU A OE1 19 ATOM 10403 O OE2 . GLU A 1 29 ? -2.906 6.745 -0.351 1.00 0.00 ? 29 GLU A OE2 19 ATOM 10404 H H . GLU A 1 29 ? 0.231 4.252 -3.505 1.00 0.00 ? 29 GLU A H 19 ATOM 10405 H HA . GLU A 1 29 ? -0.993 5.345 -1.007 1.00 0.00 ? 29 GLU A HA 19 ATOM 10406 H HB2 . GLU A 1 29 ? -0.923 7.082 -2.629 1.00 0.00 ? 29 GLU A HB2 19 ATOM 10407 H HB3 . GLU A 1 29 ? -1.383 5.995 -3.930 1.00 0.00 ? 29 GLU A HB3 19 ATOM 10408 H HG2 . GLU A 1 29 ? -3.156 7.536 -3.462 1.00 0.00 ? 29 GLU A HG2 19 ATOM 10409 H HG3 . GLU A 1 29 ? -3.671 5.887 -3.159 1.00 0.00 ? 29 GLU A HG3 19 ATOM 10410 N N . ARG A 1 30 ? -3.119 3.882 -1.165 1.00 0.00 ? 30 ARG A N 19 ATOM 10411 C CA . ARG A 1 30 ? -4.049 2.750 -1.007 1.00 0.00 ? 30 ARG A CA 19 ATOM 10412 C C . ARG A 1 30 ? -4.813 2.400 -2.306 1.00 0.00 ? 30 ARG A C 19 ATOM 10413 O O . ARG A 1 30 ? -5.237 3.302 -3.035 1.00 0.00 ? 30 ARG A O 19 ATOM 10414 C CB . ARG A 1 30 ? -4.950 2.902 0.236 1.00 0.00 ? 30 ARG A CB 19 ATOM 10415 C CG . ARG A 1 30 ? -5.851 4.149 0.361 1.00 0.00 ? 30 ARG A CG 19 ATOM 10416 C CD . ARG A 1 30 ? -7.027 4.268 -0.624 1.00 0.00 ? 30 ARG A CD 19 ATOM 10417 N NE . ARG A 1 30 ? -7.799 3.015 -0.764 1.00 0.00 ? 30 ARG A NE 19 ATOM 10418 C CZ . ARG A 1 30 ? -8.777 2.576 0.005 1.00 0.00 ? 30 ARG A CZ 19 ATOM 10419 N NH1 . ARG A 1 30 ? -9.205 3.227 1.051 1.00 0.00 ? 30 ARG A NH1 19 ATOM 10420 N NH2 . ARG A 1 30 ? -9.342 1.441 -0.280 1.00 0.00 ? 30 ARG A NH2 19 ATOM 10421 H H . ARG A 1 30 ? -3.196 4.684 -0.545 1.00 0.00 ? 30 ARG A H 19 ATOM 10422 H HA . ARG A 1 30 ? -3.408 1.899 -0.792 1.00 0.00 ? 30 ARG A HA 19 ATOM 10423 H HB2 . ARG A 1 30 ? -5.567 2.008 0.331 1.00 0.00 ? 30 ARG A HB2 19 ATOM 10424 H HB3 . ARG A 1 30 ? -4.291 2.907 1.105 1.00 0.00 ? 30 ARG A HB3 19 ATOM 10425 H HG2 . ARG A 1 30 ? -6.275 4.134 1.369 1.00 0.00 ? 30 ARG A HG2 19 ATOM 10426 H HG3 . ARG A 1 30 ? -5.235 5.046 0.273 1.00 0.00 ? 30 ARG A HG3 19 ATOM 10427 H HD2 . ARG A 1 30 ? -7.683 5.074 -0.288 1.00 0.00 ? 30 ARG A HD2 19 ATOM 10428 H HD3 . ARG A 1 30 ? -6.649 4.572 -1.597 1.00 0.00 ? 30 ARG A HD3 19 ATOM 10429 H HE . ARG A 1 30 ? -7.590 2.422 -1.559 1.00 0.00 ? 30 ARG A HE 19 ATOM 10430 H HH11 . ARG A 1 30 ? -8.785 4.108 1.290 1.00 0.00 ? 30 ARG A HH11 19 ATOM 10431 H HH12 . ARG A 1 30 ? -9.956 2.855 1.609 1.00 0.00 ? 30 ARG A HH12 19 ATOM 10432 H HH21 . ARG A 1 30 ? -10.094 1.081 0.283 1.00 0.00 ? 30 ARG A HH21 19 ATOM 10433 H HH22 . ARG A 1 30 ? -8.999 0.932 -1.088 1.00 0.00 ? 30 ARG A HH22 19 ATOM 10434 N N . PRO A 1 31 ? -4.991 1.106 -2.627 1.00 0.00 ? 31 PRO A N 19 ATOM 10435 C CA . PRO A 1 31 ? -5.721 0.642 -3.809 1.00 0.00 ? 31 PRO A CA 19 ATOM 10436 C C . PRO A 1 31 ? -7.245 0.735 -3.647 1.00 0.00 ? 31 PRO A C 19 ATOM 10437 O O . PRO A 1 31 ? -7.764 0.719 -2.528 1.00 0.00 ? 31 PRO A O 19 ATOM 10438 C CB . PRO A 1 31 ? -5.287 -0.812 -3.994 1.00 0.00 ? 31 PRO A CB 19 ATOM 10439 C CG . PRO A 1 31 ? -5.019 -1.269 -2.563 1.00 0.00 ? 31 PRO A CG 19 ATOM 10440 C CD . PRO A 1 31 ? -4.417 -0.029 -1.921 1.00 0.00 ? 31 PRO A CD 19 ATOM 10441 H HA . PRO A 1 31 ? -5.425 1.216 -4.686 1.00 0.00 ? 31 PRO A HA 19 ATOM 10442 H HB2 . PRO A 1 31 ? -6.066 -1.409 -4.464 1.00 0.00 ? 31 PRO A HB2 19 ATOM 10443 H HB3 . PRO A 1 31 ? -4.362 -0.848 -4.572 1.00 0.00 ? 31 PRO A HB3 19 ATOM 10444 H HG2 . PRO A 1 31 ? -5.962 -1.508 -2.073 1.00 0.00 ? 31 PRO A HG2 19 ATOM 10445 H HG3 . PRO A 1 31 ? -4.330 -2.109 -2.513 1.00 0.00 ? 31 PRO A HG3 19 ATOM 10446 H HD2 . PRO A 1 31 ? -4.652 0.001 -0.857 1.00 0.00 ? 31 PRO A HD2 19 ATOM 10447 H HD3 . PRO A 1 31 ? -3.338 -0.030 -2.075 1.00 0.00 ? 31 PRO A HD3 19 ATOM 10448 N N . SER A 1 32 ? -7.966 0.763 -4.773 1.00 0.00 ? 32 SER A N 19 ATOM 10449 C CA . SER A 1 32 ? -9.441 0.836 -4.822 1.00 0.00 ? 32 SER A CA 19 ATOM 10450 C C . SER A 1 32 ? -10.102 -0.155 -5.803 1.00 0.00 ? 32 SER A C 19 ATOM 10451 O O . SER A 1 32 ? -11.330 -0.161 -5.936 1.00 0.00 ? 32 SER A O 19 ATOM 10452 C CB . SER A 1 32 ? -9.884 2.277 -5.122 1.00 0.00 ? 32 SER A CB 19 ATOM 10453 O OG . SER A 1 32 ? -9.509 3.150 -4.066 1.00 0.00 ? 32 SER A OG 19 ATOM 10454 H H . SER A 1 32 ? -7.462 0.818 -5.647 1.00 0.00 ? 32 SER A H 19 ATOM 10455 H HA . SER A 1 32 ? -9.839 0.578 -3.841 1.00 0.00 ? 32 SER A HA 19 ATOM 10456 H HB2 . SER A 1 32 ? -9.432 2.610 -6.058 1.00 0.00 ? 32 SER A HB2 19 ATOM 10457 H HB3 . SER A 1 32 ? -10.970 2.308 -5.230 1.00 0.00 ? 32 SER A HB3 19 ATOM 10458 H HG . SER A 1 32 ? -9.798 4.043 -4.302 1.00 0.00 ? 32 SER A HG 19 ATOM 10459 N N . GLY A 1 33 ? -9.315 -1.002 -6.485 1.00 0.00 ? 33 GLY A N 19 ATOM 10460 C CA . GLY A 1 33 ? -9.785 -2.031 -7.430 1.00 0.00 ? 33 GLY A CA 19 ATOM 10461 C C . GLY A 1 33 ? -8.675 -2.559 -8.337 1.00 0.00 ? 33 GLY A C 19 ATOM 10462 O O . GLY A 1 33 ? -8.758 -2.328 -9.564 1.00 0.00 ? 33 GLY A O 19 ATOM 10463 O OXT . GLY A 1 33 ? -7.734 -3.192 -7.813 1.00 0.00 ? 33 GLY A OXT 19 ATOM 10464 H H . GLY A 1 33 ? -8.321 -0.965 -6.308 1.00 0.00 ? 33 GLY A H 19 ATOM 10465 H HA2 . GLY A 1 33 ? -10.194 -2.875 -6.876 1.00 0.00 ? 33 GLY A HA2 19 ATOM 10466 H HA3 . GLY A 1 33 ? -10.576 -1.621 -8.059 1.00 0.00 ? 33 GLY A HA3 19 HETATM 10467 C C1 . GAL B 2 . ? 12.781 2.079 0.212 1.00 0.00 ? 101 GAL A C1 19 HETATM 10468 C C2 . GAL B 2 . ? 12.545 3.568 -0.120 1.00 0.00 ? 101 GAL A C2 19 HETATM 10469 C C3 . GAL B 2 . ? 11.511 3.670 -1.255 1.00 0.00 ? 101 GAL A C3 19 HETATM 10470 C C4 . GAL B 2 . ? 11.962 2.868 -2.490 1.00 0.00 ? 101 GAL A C4 19 HETATM 10471 C C5 . GAL B 2 . ? 12.276 1.406 -2.110 1.00 0.00 ? 101 GAL A C5 19 HETATM 10472 C C6 . GAL B 2 . ? 12.787 0.532 -3.267 1.00 0.00 ? 101 GAL A C6 19 HETATM 10473 O O2 . GAL B 2 . ? 12.045 4.270 1.053 1.00 0.00 ? 101 GAL A O2 19 HETATM 10474 O O3 . GAL B 2 . ? 11.332 5.060 -1.639 1.00 0.00 ? 101 GAL A O3 19 HETATM 10475 O O4 . GAL B 2 . ? 13.145 3.502 -3.041 1.00 0.00 ? 101 GAL A O4 19 HETATM 10476 O O5 . GAL B 2 . ? 13.245 1.369 -0.983 1.00 0.00 ? 101 GAL A O5 19 HETATM 10477 O O6 . GAL B 2 . ? 14.083 0.995 -3.695 1.00 0.00 ? 101 GAL A O6 19 HETATM 10478 H H1 . GAL B 2 . ? 11.848 1.625 0.547 1.00 0.00 ? 101 GAL A H1 19 HETATM 10479 H H2 . GAL B 2 . ? 13.483 4.029 -0.430 1.00 0.00 ? 101 GAL A H2 19 HETATM 10480 H H3 . GAL B 2 . ? 10.554 3.277 -0.907 1.00 0.00 ? 101 GAL A H3 19 HETATM 10481 H H4 . GAL B 2 . ? 11.173 2.886 -3.244 1.00 0.00 ? 101 GAL A H4 19 HETATM 10482 H H5 . GAL B 2 . ? 11.346 0.961 -1.761 1.00 0.00 ? 101 GAL A H5 19 HETATM 10483 H H61 . GAL B 2 . ? 12.869 -0.508 -2.946 1.00 0.00 ? 101 GAL A H61 19 HETATM 10484 H H62 . GAL B 2 . ? 12.089 0.587 -4.106 1.00 0.00 ? 101 GAL A H62 19 HETATM 10485 H HO2 . GAL B 2 . ? 12.811 4.464 1.617 1.00 0.00 ? 101 GAL A HO2 19 HETATM 10486 H HO3 . GAL B 2 . ? 11.140 5.561 -0.830 1.00 0.00 ? 101 GAL A HO3 19 HETATM 10487 H HO4 . GAL B 2 . ? 12.943 4.448 -3.129 1.00 0.00 ? 101 GAL A HO4 19 HETATM 10488 H HO6 . GAL B 2 . ? 14.053 1.964 -3.588 1.00 0.00 ? 101 GAL A HO6 19 ATOM 10489 N N . LYS A 1 1 ? -11.436 -4.227 4.276 1.00 0.00 ? 1 LYS A N 20 ATOM 10490 C CA . LYS A 1 1 ? -9.951 -4.256 4.208 1.00 0.00 ? 1 LYS A CA 20 ATOM 10491 C C . LYS A 1 1 ? -9.450 -3.615 2.906 1.00 0.00 ? 1 LYS A C 20 ATOM 10492 O O . LYS A 1 1 ? -9.275 -2.395 2.863 1.00 0.00 ? 1 LYS A O 20 ATOM 10493 C CB . LYS A 1 1 ? -9.399 -5.674 4.506 1.00 0.00 ? 1 LYS A CB 20 ATOM 10494 C CG . LYS A 1 1 ? -7.866 -5.815 4.425 1.00 0.00 ? 1 LYS A CG 20 ATOM 10495 C CD . LYS A 1 1 ? -7.417 -7.234 4.816 1.00 0.00 ? 1 LYS A CD 20 ATOM 10496 C CE . LYS A 1 1 ? -5.989 -7.550 4.347 1.00 0.00 ? 1 LYS A CE 20 ATOM 10497 N NZ . LYS A 1 1 ? -4.961 -6.703 5.004 1.00 0.00 ? 1 LYS A NZ 20 ATOM 10498 H H1 . LYS A 1 1 ? -11.779 -3.283 4.159 1.00 0.00 ? 1 LYS A H1 20 ATOM 10499 H H2 . LYS A 1 1 ? -11.753 -4.566 5.173 1.00 0.00 ? 1 LYS A H2 20 ATOM 10500 H H3 . LYS A 1 1 ? -11.843 -4.807 3.557 1.00 0.00 ? 1 LYS A H3 20 ATOM 10501 H HA . LYS A 1 1 ? -9.578 -3.606 5.001 1.00 0.00 ? 1 LYS A HA 20 ATOM 10502 H HB2 . LYS A 1 1 ? -9.713 -5.957 5.513 1.00 0.00 ? 1 LYS A HB2 20 ATOM 10503 H HB3 . LYS A 1 1 ? -9.849 -6.386 3.811 1.00 0.00 ? 1 LYS A HB3 20 ATOM 10504 H HG2 . LYS A 1 1 ? -7.536 -5.629 3.405 1.00 0.00 ? 1 LYS A HG2 20 ATOM 10505 H HG3 . LYS A 1 1 ? -7.396 -5.088 5.088 1.00 0.00 ? 1 LYS A HG3 20 ATOM 10506 H HD2 . LYS A 1 1 ? -7.491 -7.360 5.898 1.00 0.00 ? 1 LYS A HD2 20 ATOM 10507 H HD3 . LYS A 1 1 ? -8.081 -7.960 4.344 1.00 0.00 ? 1 LYS A HD3 20 ATOM 10508 H HE2 . LYS A 1 1 ? -5.777 -8.603 4.557 1.00 0.00 ? 1 LYS A HE2 20 ATOM 10509 H HE3 . LYS A 1 1 ? -5.938 -7.415 3.264 1.00 0.00 ? 1 LYS A HE3 20 ATOM 10510 H HZ1 . LYS A 1 1 ? -4.043 -6.908 4.603 1.00 0.00 ? 1 LYS A HZ1 20 ATOM 10511 H HZ2 . LYS A 1 1 ? -5.138 -5.720 4.862 1.00 0.00 ? 1 LYS A HZ2 20 ATOM 10512 H HZ3 . LYS A 1 1 ? -4.911 -6.885 5.996 1.00 0.00 ? 1 LYS A HZ3 20 ATOM 10513 N N . LEU A 1 2 ? -9.245 -4.395 1.838 1.00 0.00 ? 2 LEU A N 20 ATOM 10514 C CA . LEU A 1 2 ? -8.611 -4.005 0.568 1.00 0.00 ? 2 LEU A CA 20 ATOM 10515 C C . LEU A 1 2 ? -9.345 -4.632 -0.645 1.00 0.00 ? 2 LEU A C 20 ATOM 10516 O O . LEU A 1 2 ? -10.085 -5.606 -0.460 1.00 0.00 ? 2 LEU A O 20 ATOM 10517 C CB . LEU A 1 2 ? -7.128 -4.440 0.604 1.00 0.00 ? 2 LEU A CB 20 ATOM 10518 C CG . LEU A 1 2 ? -6.226 -3.637 1.560 1.00 0.00 ? 2 LEU A CG 20 ATOM 10519 C CD1 . LEU A 1 2 ? -4.880 -4.336 1.737 1.00 0.00 ? 2 LEU A CD1 20 ATOM 10520 C CD2 . LEU A 1 2 ? -5.945 -2.242 1.015 1.00 0.00 ? 2 LEU A CD2 20 ATOM 10521 H H . LEU A 1 2 ? -9.456 -5.377 1.929 1.00 0.00 ? 2 LEU A H 20 ATOM 10522 H HA . LEU A 1 2 ? -8.669 -2.926 0.461 1.00 0.00 ? 2 LEU A HA 20 ATOM 10523 H HB2 . LEU A 1 2 ? -7.090 -5.497 0.880 1.00 0.00 ? 2 LEU A HB2 20 ATOM 10524 H HB3 . LEU A 1 2 ? -6.709 -4.338 -0.395 1.00 0.00 ? 2 LEU A HB3 20 ATOM 10525 H HG . LEU A 1 2 ? -6.695 -3.551 2.537 1.00 0.00 ? 2 LEU A HG 20 ATOM 10526 H HD11 . LEU A 1 2 ? -4.373 -4.408 0.775 1.00 0.00 ? 2 LEU A HD11 20 ATOM 10527 H HD12 . LEU A 1 2 ? -4.258 -3.770 2.430 1.00 0.00 ? 2 LEU A HD12 20 ATOM 10528 H HD13 . LEU A 1 2 ? -5.037 -5.337 2.136 1.00 0.00 ? 2 LEU A HD13 20 ATOM 10529 H HD21 . LEU A 1 2 ? -5.340 -2.316 0.112 1.00 0.00 ? 2 LEU A HD21 20 ATOM 10530 H HD22 . LEU A 1 2 ? -6.879 -1.740 0.785 1.00 0.00 ? 2 LEU A HD22 20 ATOM 10531 H HD23 . LEU A 1 2 ? -5.413 -1.658 1.763 1.00 0.00 ? 2 LEU A HD23 20 ATOM 10532 N N . PRO A 1 3 ? -9.165 -4.110 -1.879 1.00 0.00 ? 3 PRO A N 20 ATOM 10533 C CA . PRO A 1 3 ? -9.784 -4.668 -3.088 1.00 0.00 ? 3 PRO A CA 20 ATOM 10534 C C . PRO A 1 3 ? -9.199 -6.049 -3.473 1.00 0.00 ? 3 PRO A C 20 ATOM 10535 O O . PRO A 1 3 ? -8.187 -6.467 -2.899 1.00 0.00 ? 3 PRO A O 20 ATOM 10536 C CB . PRO A 1 3 ? -9.581 -3.620 -4.196 1.00 0.00 ? 3 PRO A CB 20 ATOM 10537 C CG . PRO A 1 3 ? -9.060 -2.375 -3.482 1.00 0.00 ? 3 PRO A CG 20 ATOM 10538 C CD . PRO A 1 3 ? -8.387 -2.932 -2.235 1.00 0.00 ? 3 PRO A CD 20 ATOM 10539 H HA . PRO A 1 3 ? -10.854 -4.777 -2.904 1.00 0.00 ? 3 PRO A HA 20 ATOM 10540 H HB2 . PRO A 1 3 ? -8.838 -3.961 -4.917 1.00 0.00 ? 3 PRO A HB2 20 ATOM 10541 H HB3 . PRO A 1 3 ? -10.520 -3.404 -4.708 1.00 0.00 ? 3 PRO A HB3 20 ATOM 10542 H HG2 . PRO A 1 3 ? -8.351 -1.833 -4.106 1.00 0.00 ? 3 PRO A HG2 20 ATOM 10543 H HG3 . PRO A 1 3 ? -9.896 -1.737 -3.193 1.00 0.00 ? 3 PRO A HG3 20 ATOM 10544 H HD2 . PRO A 1 3 ? -7.368 -3.232 -2.478 1.00 0.00 ? 3 PRO A HD2 20 ATOM 10545 H HD3 . PRO A 1 3 ? -8.380 -2.178 -1.449 1.00 0.00 ? 3 PRO A HD3 20 ATOM 10546 N N . PRO A 1 4 ? -9.785 -6.767 -4.454 1.00 0.00 ? 4 PRO A N 20 ATOM 10547 C CA . PRO A 1 4 ? -9.383 -8.132 -4.813 1.00 0.00 ? 4 PRO A CA 20 ATOM 10548 C C . PRO A 1 4 ? -7.879 -8.298 -5.098 1.00 0.00 ? 4 PRO A C 20 ATOM 10549 O O . PRO A 1 4 ? -7.315 -7.656 -5.989 1.00 0.00 ? 4 PRO A O 20 ATOM 10550 C CB . PRO A 1 4 ? -10.249 -8.513 -6.019 1.00 0.00 ? 4 PRO A CB 20 ATOM 10551 C CG . PRO A 1 4 ? -11.522 -7.700 -5.789 1.00 0.00 ? 4 PRO A CG 20 ATOM 10552 C CD . PRO A 1 4 ? -10.984 -6.399 -5.196 1.00 0.00 ? 4 PRO A CD 20 ATOM 10553 H HA . PRO A 1 4 ? -9.658 -8.784 -3.982 1.00 0.00 ? 4 PRO A HA 20 ATOM 10554 H HB2 . PRO A 1 4 ? -9.777 -8.186 -6.948 1.00 0.00 ? 4 PRO A HB2 20 ATOM 10555 H HB3 . PRO A 1 4 ? -10.453 -9.584 -6.047 1.00 0.00 ? 4 PRO A HB3 20 ATOM 10556 H HG2 . PRO A 1 4 ? -12.067 -7.528 -6.717 1.00 0.00 ? 4 PRO A HG2 20 ATOM 10557 H HG3 . PRO A 1 4 ? -12.153 -8.205 -5.055 1.00 0.00 ? 4 PRO A HG3 20 ATOM 10558 H HD2 . PRO A 1 4 ? -10.714 -5.714 -6.002 1.00 0.00 ? 4 PRO A HD2 20 ATOM 10559 H HD3 . PRO A 1 4 ? -11.741 -5.949 -4.553 1.00 0.00 ? 4 PRO A HD3 20 ATOM 10560 N N . GLY A 1 5 ? -7.232 -9.180 -4.331 1.00 0.00 ? 5 GLY A N 20 ATOM 10561 C CA . GLY A 1 5 ? -5.809 -9.520 -4.437 1.00 0.00 ? 5 GLY A CA 20 ATOM 10562 C C . GLY A 1 5 ? -4.827 -8.584 -3.719 1.00 0.00 ? 5 GLY A C 20 ATOM 10563 O O . GLY A 1 5 ? -3.663 -8.958 -3.559 1.00 0.00 ? 5 GLY A O 20 ATOM 10564 H H . GLY A 1 5 ? -7.768 -9.654 -3.616 1.00 0.00 ? 5 GLY A H 20 ATOM 10565 H HA2 . GLY A 1 5 ? -5.665 -10.524 -4.030 1.00 0.00 ? 5 GLY A HA2 20 ATOM 10566 H HA3 . GLY A 1 5 ? -5.531 -9.527 -5.492 1.00 0.00 ? 5 GLY A HA3 20 ATOM 10567 N N . TRP A 1 6 ? -5.254 -7.401 -3.266 1.00 0.00 ? 6 TRP A N 20 ATOM 10568 C CA . TRP A 1 6 ? -4.394 -6.434 -2.571 1.00 0.00 ? 6 TRP A CA 20 ATOM 10569 C C . TRP A 1 6 ? -4.073 -6.798 -1.112 1.00 0.00 ? 6 TRP A C 20 ATOM 10570 O O . TRP A 1 6 ? -4.947 -7.231 -0.356 1.00 0.00 ? 6 TRP A O 20 ATOM 10571 C CB . TRP A 1 6 ? -4.991 -5.025 -2.658 1.00 0.00 ? 6 TRP A CB 20 ATOM 10572 C CG . TRP A 1 6 ? -4.971 -4.378 -4.008 1.00 0.00 ? 6 TRP A CG 20 ATOM 10573 C CD1 . TRP A 1 6 ? -5.949 -4.480 -4.935 1.00 0.00 ? 6 TRP A CD1 20 ATOM 10574 C CD2 . TRP A 1 6 ? -3.849 -3.745 -4.698 1.00 0.00 ? 6 TRP A CD2 20 ATOM 10575 N NE1 . TRP A 1 6 ? -5.564 -3.848 -6.099 1.00 0.00 ? 6 TRP A NE1 20 ATOM 10576 C CE2 . TRP A 1 6 ? -4.258 -3.420 -6.025 1.00 0.00 ? 6 TRP A CE2 20 ATOM 10577 C CE3 . TRP A 1 6 ? -2.527 -3.413 -4.333 1.00 0.00 ? 6 TRP A CE3 20 ATOM 10578 C CZ2 . TRP A 1 6 ? -3.394 -2.828 -6.955 1.00 0.00 ? 6 TRP A CZ2 20 ATOM 10579 C CZ3 . TRP A 1 6 ? -1.655 -2.797 -5.253 1.00 0.00 ? 6 TRP A CZ3 20 ATOM 10580 C CH2 . TRP A 1 6 ? -2.082 -2.511 -6.563 1.00 0.00 ? 6 TRP A CH2 20 ATOM 10581 H H . TRP A 1 6 ? -6.232 -7.168 -3.378 1.00 0.00 ? 6 TRP A H 20 ATOM 10582 H HA . TRP A 1 6 ? -3.441 -6.396 -3.097 1.00 0.00 ? 6 TRP A HA 20 ATOM 10583 H HB2 . TRP A 1 6 ? -6.025 -5.076 -2.319 1.00 0.00 ? 6 TRP A HB2 20 ATOM 10584 H HB3 . TRP A 1 6 ? -4.438 -4.373 -1.977 1.00 0.00 ? 6 TRP A HB3 20 ATOM 10585 H HD1 . TRP A 1 6 ? -6.899 -4.973 -4.774 1.00 0.00 ? 6 TRP A HD1 20 ATOM 10586 H HE1 . TRP A 1 6 ? -6.176 -3.733 -6.903 1.00 0.00 ? 6 TRP A HE1 20 ATOM 10587 H HE3 . TRP A 1 6 ? -2.194 -3.633 -3.328 1.00 0.00 ? 6 TRP A HE3 20 ATOM 10588 H HZ2 . TRP A 1 6 ? -3.737 -2.635 -7.961 1.00 0.00 ? 6 TRP A HZ2 20 ATOM 10589 H HZ3 . TRP A 1 6 ? -0.648 -2.546 -4.954 1.00 0.00 ? 6 TRP A HZ3 20 ATOM 10590 H HH2 . TRP A 1 6 ? -1.401 -2.050 -7.267 1.00 0.00 ? 6 TRP A HH2 20 ATOM 10591 N N . GLU A 1 7 ? -2.826 -6.568 -0.696 1.00 0.00 ? 7 GLU A N 20 ATOM 10592 C CA . GLU A 1 7 ? -2.318 -6.743 0.673 1.00 0.00 ? 7 GLU A CA 20 ATOM 10593 C C . GLU A 1 7 ? -1.125 -5.803 0.951 1.00 0.00 ? 7 GLU A C 20 ATOM 10594 O O . GLU A 1 7 ? -0.395 -5.418 0.031 1.00 0.00 ? 7 GLU A O 20 ATOM 10595 C CB . GLU A 1 7 ? -1.983 -8.234 0.895 1.00 0.00 ? 7 GLU A CB 20 ATOM 10596 C CG . GLU A 1 7 ? -1.222 -8.658 2.166 1.00 0.00 ? 7 GLU A CG 20 ATOM 10597 C CD . GLU A 1 7 ? -1.846 -8.250 3.520 1.00 0.00 ? 7 GLU A CD 20 ATOM 10598 O OE1 . GLU A 1 7 ? -2.638 -7.278 3.593 1.00 0.00 ? 7 GLU A OE1 20 ATOM 10599 O OE2 . GLU A 1 7 ? -1.529 -8.901 4.545 1.00 0.00 ? 7 GLU A OE2 20 ATOM 10600 H H . GLU A 1 7 ? -2.140 -6.290 -1.393 1.00 0.00 ? 7 GLU A H 20 ATOM 10601 H HA . GLU A 1 7 ? -3.110 -6.468 1.366 1.00 0.00 ? 7 GLU A HA 20 ATOM 10602 H HB2 . GLU A 1 7 ? -2.918 -8.798 0.867 1.00 0.00 ? 7 GLU A HB2 20 ATOM 10603 H HB3 . GLU A 1 7 ? -1.385 -8.572 0.046 1.00 0.00 ? 7 GLU A HB3 20 ATOM 10604 H HG2 . GLU A 1 7 ? -1.123 -9.746 2.138 1.00 0.00 ? 7 GLU A HG2 20 ATOM 10605 H HG3 . GLU A 1 7 ? -0.213 -8.252 2.107 1.00 0.00 ? 7 GLU A HG3 20 ATOM 10606 N N . LYS A 1 8 ? -0.914 -5.410 2.214 1.00 0.00 ? 8 LYS A N 20 ATOM 10607 C CA . LYS A 1 8 ? 0.248 -4.601 2.635 1.00 0.00 ? 8 LYS A CA 20 ATOM 10608 C C . LYS A 1 8 ? 1.574 -5.360 2.560 1.00 0.00 ? 8 LYS A C 20 ATOM 10609 O O . LYS A 1 8 ? 1.648 -6.558 2.847 1.00 0.00 ? 8 LYS A O 20 ATOM 10610 C CB . LYS A 1 8 ? 0.041 -3.992 4.030 1.00 0.00 ? 8 LYS A CB 20 ATOM 10611 C CG . LYS A 1 8 ? -0.889 -2.776 3.947 1.00 0.00 ? 8 LYS A CG 20 ATOM 10612 C CD . LYS A 1 8 ? -1.213 -2.167 5.319 1.00 0.00 ? 8 LYS A CD 20 ATOM 10613 C CE . LYS A 1 8 ? 0.007 -1.474 5.941 1.00 0.00 ? 8 LYS A CE 20 ATOM 10614 N NZ . LYS A 1 8 ? -0.327 -0.874 7.259 1.00 0.00 ? 8 LYS A NZ 20 ATOM 10615 H H . LYS A 1 8 ? -1.535 -5.782 2.928 1.00 0.00 ? 8 LYS A H 20 ATOM 10616 H HA . LYS A 1 8 ? 0.343 -3.773 1.929 1.00 0.00 ? 8 LYS A HA 20 ATOM 10617 H HB2 . LYS A 1 8 ? -0.373 -4.744 4.705 1.00 0.00 ? 8 LYS A HB2 20 ATOM 10618 H HB3 . LYS A 1 8 ? 1.005 -3.664 4.425 1.00 0.00 ? 8 LYS A HB3 20 ATOM 10619 H HG2 . LYS A 1 8 ? -0.423 -2.012 3.321 1.00 0.00 ? 8 LYS A HG2 20 ATOM 10620 H HG3 . LYS A 1 8 ? -1.819 -3.096 3.477 1.00 0.00 ? 8 LYS A HG3 20 ATOM 10621 H HD2 . LYS A 1 8 ? -2.007 -1.430 5.186 1.00 0.00 ? 8 LYS A HD2 20 ATOM 10622 H HD3 . LYS A 1 8 ? -1.578 -2.951 5.985 1.00 0.00 ? 8 LYS A HD3 20 ATOM 10623 H HE2 . LYS A 1 8 ? 0.820 -2.194 6.059 1.00 0.00 ? 8 LYS A HE2 20 ATOM 10624 H HE3 . LYS A 1 8 ? 0.350 -0.693 5.257 1.00 0.00 ? 8 LYS A HE3 20 ATOM 10625 H HZ1 . LYS A 1 8 ? -0.639 -1.579 7.915 1.00 0.00 ? 8 LYS A HZ1 20 ATOM 10626 H HZ2 . LYS A 1 8 ? 0.477 -0.414 7.665 1.00 0.00 ? 8 LYS A HZ2 20 ATOM 10627 H HZ3 . LYS A 1 8 ? -1.063 -0.185 7.173 1.00 0.00 ? 8 LYS A HZ3 20 ATOM 10628 N N . ARG A 1 9 ? 2.633 -4.630 2.209 1.00 0.00 ? 9 ARG A N 20 ATOM 10629 C CA . ARG A 1 9 ? 4.016 -5.113 2.042 1.00 0.00 ? 9 ARG A CA 20 ATOM 10630 C C . ARG A 1 9 ? 5.015 -4.025 2.470 1.00 0.00 ? 9 ARG A C 20 ATOM 10631 O O . ARG A 1 9 ? 4.616 -2.892 2.750 1.00 0.00 ? 9 ARG A O 20 ATOM 10632 C CB . ARG A 1 9 ? 4.170 -5.586 0.579 1.00 0.00 ? 9 ARG A CB 20 ATOM 10633 C CG . ARG A 1 9 ? 5.428 -6.434 0.323 1.00 0.00 ? 9 ARG A CG 20 ATOM 10634 C CD . ARG A 1 9 ? 5.334 -7.225 -0.989 1.00 0.00 ? 9 ARG A CD 20 ATOM 10635 N NE . ARG A 1 9 ? 4.424 -8.384 -0.869 1.00 0.00 ? 9 ARG A NE 20 ATOM 10636 C CZ . ARG A 1 9 ? 4.482 -9.511 -1.556 1.00 0.00 ? 9 ARG A CZ 20 ATOM 10637 N NH1 . ARG A 1 9 ? 3.652 -10.481 -1.296 1.00 0.00 ? 9 ARG A NH1 20 ATOM 10638 N NH2 . ARG A 1 9 ? 5.349 -9.707 -2.509 1.00 0.00 ? 9 ARG A NH2 20 ATOM 10639 H H . ARG A 1 9 ? 2.455 -3.646 2.020 1.00 0.00 ? 9 ARG A H 20 ATOM 10640 H HA . ARG A 1 9 ? 4.176 -5.967 2.704 1.00 0.00 ? 9 ARG A HA 20 ATOM 10641 H HB2 . ARG A 1 9 ? 3.298 -6.193 0.330 1.00 0.00 ? 9 ARG A HB2 20 ATOM 10642 H HB3 . ARG A 1 9 ? 4.170 -4.722 -0.088 1.00 0.00 ? 9 ARG A HB3 20 ATOM 10643 H HG2 . ARG A 1 9 ? 6.295 -5.774 0.265 1.00 0.00 ? 9 ARG A HG2 20 ATOM 10644 H HG3 . ARG A 1 9 ? 5.573 -7.138 1.145 1.00 0.00 ? 9 ARG A HG3 20 ATOM 10645 H HD2 . ARG A 1 9 ? 4.988 -6.565 -1.788 1.00 0.00 ? 9 ARG A HD2 20 ATOM 10646 H HD3 . ARG A 1 9 ? 6.341 -7.577 -1.229 1.00 0.00 ? 9 ARG A HD3 20 ATOM 10647 H HE . ARG A 1 9 ? 3.705 -8.332 -0.165 1.00 0.00 ? 9 ARG A HE 20 ATOM 10648 H HH11 . ARG A 1 9 ? 2.975 -10.384 -0.557 1.00 0.00 ? 9 ARG A HH11 20 ATOM 10649 H HH12 . ARG A 1 9 ? 3.707 -11.343 -1.812 1.00 0.00 ? 9 ARG A HH12 20 ATOM 10650 H HH21 . ARG A 1 9 ? 5.979 -8.964 -2.759 1.00 0.00 ? 9 ARG A HH21 20 ATOM 10651 H HH22 . ARG A 1 9 ? 5.357 -10.571 -3.023 1.00 0.00 ? 9 ARG A HH22 20 ATOM 10652 N N . MET A 1 10 ? 6.307 -4.345 2.549 1.00 0.00 ? 10 MET A N 20 ATOM 10653 C CA . MET A 1 10 ? 7.328 -3.451 3.109 1.00 0.00 ? 10 MET A CA 20 ATOM 10654 C C . MET A 1 10 ? 8.723 -3.749 2.539 1.00 0.00 ? 10 MET A C 20 ATOM 10655 O O . MET A 1 10 ? 9.144 -4.905 2.439 1.00 0.00 ? 10 MET A O 20 ATOM 10656 C CB . MET A 1 10 ? 7.327 -3.575 4.647 1.00 0.00 ? 10 MET A CB 20 ATOM 10657 C CG . MET A 1 10 ? 8.249 -2.569 5.353 1.00 0.00 ? 10 MET A CG 20 ATOM 10658 S SD . MET A 1 10 ? 8.621 -2.955 7.089 1.00 0.00 ? 10 MET A SD 20 ATOM 10659 C CE . MET A 1 10 ? 7.000 -2.708 7.865 1.00 0.00 ? 10 MET A CE 20 ATOM 10660 H H . MET A 1 10 ? 6.585 -5.284 2.306 1.00 0.00 ? 10 MET A H 20 ATOM 10661 H HA . MET A 1 10 ? 7.067 -2.427 2.847 1.00 0.00 ? 10 MET A HA 20 ATOM 10662 H HB2 . MET A 1 10 ? 6.313 -3.432 5.020 1.00 0.00 ? 10 MET A HB2 20 ATOM 10663 H HB3 . MET A 1 10 ? 7.645 -4.584 4.912 1.00 0.00 ? 10 MET A HB3 20 ATOM 10664 H HG2 . MET A 1 10 ? 9.202 -2.531 4.830 1.00 0.00 ? 10 MET A HG2 20 ATOM 10665 H HG3 . MET A 1 10 ? 7.799 -1.578 5.299 1.00 0.00 ? 10 MET A HG3 20 ATOM 10666 H HE1 . MET A 1 10 ? 6.258 -3.359 7.403 1.00 0.00 ? 10 MET A HE1 20 ATOM 10667 H HE2 . MET A 1 10 ? 7.066 -2.944 8.928 1.00 0.00 ? 10 MET A HE2 20 ATOM 10668 H HE3 . MET A 1 10 ? 6.695 -1.668 7.754 1.00 0.00 ? 10 MET A HE3 20 ATOM 10669 N N . PHE A 1 11 ? 9.429 -2.685 2.160 1.00 0.00 ? 11 PHE A N 20 ATOM 10670 C CA . PHE A 1 11 ? 10.811 -2.692 1.676 1.00 0.00 ? 11 PHE A CA 20 ATOM 10671 C C . PHE A 1 11 ? 11.882 -2.966 2.747 1.00 0.00 ? 11 PHE A C 20 ATOM 10672 O O . PHE A 1 11 ? 11.643 -2.762 3.941 1.00 0.00 ? 11 PHE A O 20 ATOM 10673 C CB . PHE A 1 11 ? 11.082 -1.380 0.926 1.00 0.00 ? 11 PHE A CB 20 ATOM 10674 C CG . PHE A 1 11 ? 10.339 -1.219 -0.386 1.00 0.00 ? 11 PHE A CG 20 ATOM 10675 C CD1 . PHE A 1 11 ? 10.715 -1.966 -1.519 1.00 0.00 ? 11 PHE A CD1 20 ATOM 10676 C CD2 . PHE A 1 11 ? 9.284 -0.292 -0.482 1.00 0.00 ? 11 PHE A CD2 20 ATOM 10677 C CE1 . PHE A 1 11 ? 10.038 -1.787 -2.739 1.00 0.00 ? 11 PHE A CE1 20 ATOM 10678 C CE2 . PHE A 1 11 ? 8.609 -0.112 -1.701 1.00 0.00 ? 11 PHE A CE2 20 ATOM 10679 C CZ . PHE A 1 11 ? 8.984 -0.859 -2.831 1.00 0.00 ? 11 PHE A CZ 20 ATOM 10680 H H . PHE A 1 11 ? 8.998 -1.776 2.290 1.00 0.00 ? 11 PHE A H 20 ATOM 10681 H HA . PHE A 1 11 ? 10.901 -3.501 0.948 1.00 0.00 ? 11 PHE A HA 20 ATOM 10682 H HB2 . PHE A 1 11 ? 10.810 -0.553 1.585 1.00 0.00 ? 11 PHE A HB2 20 ATOM 10683 H HB3 . PHE A 1 11 ? 12.150 -1.306 0.707 1.00 0.00 ? 11 PHE A HB3 20 ATOM 10684 H HD1 . PHE A 1 11 ? 11.531 -2.673 -1.456 1.00 0.00 ? 11 PHE A HD1 20 ATOM 10685 H HD2 . PHE A 1 11 ? 8.983 0.280 0.384 1.00 0.00 ? 11 PHE A HD2 20 ATOM 10686 H HE1 . PHE A 1 11 ? 10.328 -2.362 -3.609 1.00 0.00 ? 11 PHE A HE1 20 ATOM 10687 H HE2 . PHE A 1 11 ? 7.786 0.586 -1.761 1.00 0.00 ? 11 PHE A HE2 20 ATOM 10688 H HZ . PHE A 1 11 ? 8.458 -0.727 -3.767 1.00 0.00 ? 11 PHE A HZ 20 ATOM 10689 N N . ALA A 1 12 ? 13.093 -3.359 2.336 1.00 0.00 ? 12 ALA A N 20 ATOM 10690 C CA . ALA A 1 12 ? 14.219 -3.626 3.244 1.00 0.00 ? 12 ALA A CA 20 ATOM 10691 C C . ALA A 1 12 ? 14.683 -2.389 4.055 1.00 0.00 ? 12 ALA A C 20 ATOM 10692 O O . ALA A 1 12 ? 15.274 -2.535 5.128 1.00 0.00 ? 12 ALA A O 20 ATOM 10693 C CB . ALA A 1 12 ? 15.370 -4.199 2.406 1.00 0.00 ? 12 ALA A CB 20 ATOM 10694 H H . ALA A 1 12 ? 13.239 -3.509 1.347 1.00 0.00 ? 12 ALA A H 20 ATOM 10695 H HA . ALA A 1 12 ? 13.910 -4.386 3.963 1.00 0.00 ? 12 ALA A HA 20 ATOM 10696 H HB1 . ALA A 1 12 ? 16.204 -4.458 3.059 1.00 0.00 ? 12 ALA A HB1 20 ATOM 10697 H HB2 . ALA A 1 12 ? 15.039 -5.100 1.888 1.00 0.00 ? 12 ALA A HB2 20 ATOM 10698 H HB3 . ALA A 1 12 ? 15.706 -3.463 1.675 1.00 0.00 ? 12 ALA A HB3 20 ATOM 10699 N N . ASN A 1 13 ? 14.392 -1.176 3.569 1.00 0.00 ? 13 ASN A N 20 ATOM 10700 C CA . ASN A 1 13 ? 14.627 0.101 4.261 1.00 0.00 ? 13 ASN A CA 20 ATOM 10701 C C . ASN A 1 13 ? 13.558 0.461 5.327 1.00 0.00 ? 13 ASN A C 20 ATOM 10702 O O . ASN A 1 13 ? 13.706 1.469 6.023 1.00 0.00 ? 13 ASN A O 20 ATOM 10703 C CB . ASN A 1 13 ? 14.783 1.219 3.205 1.00 0.00 ? 13 ASN A CB 20 ATOM 10704 C CG . ASN A 1 13 ? 13.569 1.403 2.305 1.00 0.00 ? 13 ASN A CG 20 ATOM 10705 O OD1 . ASN A 1 13 ? 12.470 0.973 2.641 1.00 0.00 ? 13 ASN A OD1 20 ATOM 10706 N ND2 . ASN A 1 13 ? 13.756 2.049 1.163 1.00 0.00 ? 13 ASN A ND2 20 ATOM 10707 H H . ASN A 1 13 ? 13.911 -1.143 2.681 1.00 0.00 ? 13 ASN A H 20 ATOM 10708 H HA . ASN A 1 13 ? 15.574 0.026 4.799 1.00 0.00 ? 13 ASN A HA 20 ATOM 10709 H HB2 . ASN A 1 13 ? 14.983 2.169 3.706 1.00 0.00 ? 13 ASN A HB2 20 ATOM 10710 H HB3 . ASN A 1 13 ? 15.644 0.977 2.575 1.00 0.00 ? 13 ASN A HB3 20 ATOM 10711 H HD21 . ASN A 1 13 ? 14.684 2.374 0.936 1.00 0.00 ? 13 ASN A HD21 20 ATOM 10712 N N . GLY A 1 14 ? 12.488 -0.335 5.463 1.00 0.00 ? 14 GLY A N 20 ATOM 10713 C CA . GLY A 1 14 ? 11.392 -0.114 6.417 1.00 0.00 ? 14 GLY A CA 20 ATOM 10714 C C . GLY A 1 14 ? 10.209 0.721 5.898 1.00 0.00 ? 14 GLY A C 20 ATOM 10715 O O . GLY A 1 14 ? 9.388 1.166 6.704 1.00 0.00 ? 14 GLY A O 20 ATOM 10716 H H . GLY A 1 14 ? 12.421 -1.148 4.862 1.00 0.00 ? 14 GLY A H 20 ATOM 10717 H HA2 . GLY A 1 14 ? 10.997 -1.092 6.700 1.00 0.00 ? 14 GLY A HA2 20 ATOM 10718 H HA3 . GLY A 1 14 ? 11.781 0.372 7.314 1.00 0.00 ? 14 GLY A HA3 20 ATOM 10719 N N . THR A 1 15 ? 10.081 0.929 4.582 1.00 0.00 ? 15 THR A N 20 ATOM 10720 C CA . THR A 1 15 ? 8.992 1.724 3.973 1.00 0.00 ? 15 THR A CA 20 ATOM 10721 C C . THR A 1 15 ? 7.868 0.771 3.558 1.00 0.00 ? 15 THR A C 20 ATOM 10722 O O . THR A 1 15 ? 8.113 -0.246 2.908 1.00 0.00 ? 15 THR A O 20 ATOM 10723 C CB . THR A 1 15 ? 9.514 2.462 2.724 1.00 0.00 ? 15 THR A CB 20 ATOM 10724 O OG1 . THR A 1 15 ? 10.347 3.524 3.132 1.00 0.00 ? 15 THR A OG1 20 ATOM 10725 C CG2 . THR A 1 15 ? 8.428 3.078 1.840 1.00 0.00 ? 15 THR A CG2 20 ATOM 10726 H H . THR A 1 15 ? 10.815 0.590 3.970 1.00 0.00 ? 15 THR A H 20 ATOM 10727 H HA . THR A 1 15 ? 8.604 2.459 4.678 1.00 0.00 ? 15 THR A HA 20 ATOM 10728 H HB . THR A 1 15 ? 10.091 1.769 2.112 1.00 0.00 ? 15 THR A HB 20 ATOM 10729 H HG1 . THR A 1 15 ? 10.793 3.841 2.326 1.00 0.00 ? 15 THR A HG1 20 ATOM 10730 H HG21 . THR A 1 15 ? 7.766 3.703 2.438 1.00 0.00 ? 15 THR A HG21 20 ATOM 10731 H HG22 . THR A 1 15 ? 8.889 3.687 1.061 1.00 0.00 ? 15 THR A HG22 20 ATOM 10732 H HG23 . THR A 1 15 ? 7.847 2.294 1.353 1.00 0.00 ? 15 THR A HG23 20 ATOM 10733 N N . VAL A 1 16 ? 6.622 1.117 3.898 1.00 0.00 ? 16 VAL A N 20 ATOM 10734 C CA . VAL A 1 16 ? 5.417 0.303 3.646 1.00 0.00 ? 16 VAL A CA 20 ATOM 10735 C C . VAL A 1 16 ? 4.763 0.750 2.333 1.00 0.00 ? 16 VAL A C 20 ATOM 10736 O O . VAL A 1 16 ? 4.755 1.936 1.993 1.00 0.00 ? 16 VAL A O 20 ATOM 10737 C CB . VAL A 1 16 ? 4.418 0.459 4.817 1.00 0.00 ? 16 VAL A CB 20 ATOM 10738 C CG1 . VAL A 1 16 ? 3.013 -0.096 4.545 1.00 0.00 ? 16 VAL A CG1 20 ATOM 10739 C CG2 . VAL A 1 16 ? 4.942 -0.264 6.062 1.00 0.00 ? 16 VAL A CG2 20 ATOM 10740 H H . VAL A 1 16 ? 6.496 1.991 4.390 1.00 0.00 ? 16 VAL A H 20 ATOM 10741 H HA . VAL A 1 16 ? 5.687 -0.748 3.560 1.00 0.00 ? 16 VAL A HA 20 ATOM 10742 H HB . VAL A 1 16 ? 4.314 1.520 5.051 1.00 0.00 ? 16 VAL A HB 20 ATOM 10743 H HG11 . VAL A 1 16 ? 3.069 -1.149 4.266 1.00 0.00 ? 16 VAL A HG11 20 ATOM 10744 H HG12 . VAL A 1 16 ? 2.406 0.008 5.444 1.00 0.00 ? 16 VAL A HG12 20 ATOM 10745 H HG13 . VAL A 1 16 ? 2.524 0.468 3.751 1.00 0.00 ? 16 VAL A HG13 20 ATOM 10746 H HG21 . VAL A 1 16 ? 4.245 -0.123 6.890 1.00 0.00 ? 16 VAL A HG21 20 ATOM 10747 H HG22 . VAL A 1 16 ? 5.032 -1.331 5.857 1.00 0.00 ? 16 VAL A HG22 20 ATOM 10748 H HG23 . VAL A 1 16 ? 5.914 0.138 6.349 1.00 0.00 ? 16 VAL A HG23 20 ATOM 10749 N N . TYR A 1 17 ? 4.188 -0.211 1.610 1.00 0.00 ? 17 TYR A N 20 ATOM 10750 C CA . TYR A 1 17 ? 3.440 -0.003 0.366 1.00 0.00 ? 17 TYR A CA 20 ATOM 10751 C C . TYR A 1 17 ? 2.367 -1.106 0.227 1.00 0.00 ? 17 TYR A C 20 ATOM 10752 O O . TYR A 1 17 ? 2.226 -1.986 1.083 1.00 0.00 ? 17 TYR A O 20 ATOM 10753 C CB . TYR A 1 17 ? 4.439 -0.020 -0.809 1.00 0.00 ? 17 TYR A CB 20 ATOM 10754 C CG . TYR A 1 17 ? 5.095 -1.354 -1.134 1.00 0.00 ? 17 TYR A CG 20 ATOM 10755 C CD1 . TYR A 1 17 ? 6.181 -1.821 -0.366 1.00 0.00 ? 17 TYR A CD1 20 ATOM 10756 C CD2 . TYR A 1 17 ? 4.666 -2.092 -2.257 1.00 0.00 ? 17 TYR A CD2 20 ATOM 10757 C CE1 . TYR A 1 17 ? 6.856 -3.000 -0.741 1.00 0.00 ? 17 TYR A CE1 20 ATOM 10758 C CE2 . TYR A 1 17 ? 5.328 -3.278 -2.626 1.00 0.00 ? 17 TYR A CE2 20 ATOM 10759 C CZ . TYR A 1 17 ? 6.443 -3.720 -1.881 1.00 0.00 ? 17 TYR A CZ 20 ATOM 10760 O OH . TYR A 1 17 ? 7.129 -4.829 -2.267 1.00 0.00 ? 17 TYR A OH 20 ATOM 10761 H H . TYR A 1 17 ? 4.212 -1.159 1.973 1.00 0.00 ? 17 TYR A H 20 ATOM 10762 H HA . TYR A 1 17 ? 2.936 0.964 0.389 1.00 0.00 ? 17 TYR A HA 20 ATOM 10763 H HB2 . TYR A 1 17 ? 3.924 0.335 -1.700 1.00 0.00 ? 17 TYR A HB2 20 ATOM 10764 H HB3 . TYR A 1 17 ? 5.226 0.709 -0.610 1.00 0.00 ? 17 TYR A HB3 20 ATOM 10765 H HD1 . TYR A 1 17 ? 6.530 -1.249 0.484 1.00 0.00 ? 17 TYR A HD1 20 ATOM 10766 H HD2 . TYR A 1 17 ? 3.842 -1.732 -2.857 1.00 0.00 ? 17 TYR A HD2 20 ATOM 10767 H HE1 . TYR A 1 17 ? 7.717 -3.338 -0.185 1.00 0.00 ? 17 TYR A HE1 20 ATOM 10768 H HE2 . TYR A 1 17 ? 4.993 -3.840 -3.486 1.00 0.00 ? 17 TYR A HE2 20 ATOM 10769 H HH . TYR A 1 17 ? 6.873 -5.115 -3.151 1.00 0.00 ? 17 TYR A HH 20 ATOM 10770 N N . TYR A 1 18 ? 1.597 -1.053 -0.858 1.00 0.00 ? 18 TYR A N 20 ATOM 10771 C CA . TYR A 1 18 ? 0.535 -2.001 -1.198 1.00 0.00 ? 18 TYR A CA 20 ATOM 10772 C C . TYR A 1 18 ? 0.888 -2.858 -2.418 1.00 0.00 ? 18 TYR A C 20 ATOM 10773 O O . TYR A 1 18 ? 1.438 -2.345 -3.396 1.00 0.00 ? 18 TYR A O 20 ATOM 10774 C CB . TYR A 1 18 ? -0.799 -1.260 -1.369 1.00 0.00 ? 18 TYR A CB 20 ATOM 10775 C CG . TYR A 1 18 ? -1.301 -0.608 -0.092 1.00 0.00 ? 18 TYR A CG 20 ATOM 10776 C CD1 . TYR A 1 18 ? -2.168 -1.305 0.771 1.00 0.00 ? 18 TYR A CD1 20 ATOM 10777 C CD2 . TYR A 1 18 ? -0.877 0.696 0.240 1.00 0.00 ? 18 TYR A CD2 20 ATOM 10778 C CE1 . TYR A 1 18 ? -2.607 -0.699 1.966 1.00 0.00 ? 18 TYR A CE1 20 ATOM 10779 C CE2 . TYR A 1 18 ? -1.297 1.295 1.443 1.00 0.00 ? 18 TYR A CE2 20 ATOM 10780 C CZ . TYR A 1 18 ? -2.164 0.595 2.310 1.00 0.00 ? 18 TYR A CZ 20 ATOM 10781 O OH . TYR A 1 18 ? -2.572 1.159 3.478 1.00 0.00 ? 18 TYR A OH 20 ATOM 10782 H H . TYR A 1 18 ? 1.763 -0.306 -1.523 1.00 0.00 ? 18 TYR A H 20 ATOM 10783 H HA . TYR A 1 18 ? 0.399 -2.693 -0.365 1.00 0.00 ? 18 TYR A HA 20 ATOM 10784 H HB2 . TYR A 1 18 ? -0.689 -0.496 -2.144 1.00 0.00 ? 18 TYR A HB2 20 ATOM 10785 H HB3 . TYR A 1 18 ? -1.553 -1.975 -1.705 1.00 0.00 ? 18 TYR A HB3 20 ATOM 10786 H HD1 . TYR A 1 18 ? -2.492 -2.308 0.524 1.00 0.00 ? 18 TYR A HD1 20 ATOM 10787 H HD2 . TYR A 1 18 ? -0.216 1.233 -0.429 1.00 0.00 ? 18 TYR A HD2 20 ATOM 10788 H HE1 . TYR A 1 18 ? -3.264 -1.229 2.639 1.00 0.00 ? 18 TYR A HE1 20 ATOM 10789 H HE2 . TYR A 1 18 ? -0.959 2.289 1.699 1.00 0.00 ? 18 TYR A HE2 20 ATOM 10790 H HH . TYR A 1 18 ? -2.185 2.032 3.608 1.00 0.00 ? 18 TYR A HH 20 ATOM 10791 N N . PHE A 1 19 ? 0.566 -4.151 -2.383 1.00 0.00 ? 19 PHE A N 20 ATOM 10792 C CA . PHE A 1 19 ? 0.908 -5.114 -3.432 1.00 0.00 ? 19 PHE A CA 20 ATOM 10793 C C . PHE A 1 19 ? -0.237 -6.079 -3.764 1.00 0.00 ? 19 PHE A C 20 ATOM 10794 O O . PHE A 1 19 ? -0.893 -6.594 -2.857 1.00 0.00 ? 19 PHE A O 20 ATOM 10795 C CB . PHE A 1 19 ? 2.205 -5.842 -3.058 1.00 0.00 ? 19 PHE A CB 20 ATOM 10796 C CG . PHE A 1 19 ? 2.594 -6.898 -4.068 1.00 0.00 ? 19 PHE A CG 20 ATOM 10797 C CD1 . PHE A 1 19 ? 3.178 -6.470 -5.270 1.00 0.00 ? 19 PHE A CD1 20 ATOM 10798 C CD2 . PHE A 1 19 ? 2.327 -8.266 -3.865 1.00 0.00 ? 19 PHE A CD2 20 ATOM 10799 C CE1 . PHE A 1 19 ? 3.494 -7.394 -6.273 1.00 0.00 ? 19 PHE A CE1 20 ATOM 10800 C CE2 . PHE A 1 19 ? 2.679 -9.199 -4.857 1.00 0.00 ? 19 PHE A CE2 20 ATOM 10801 C CZ . PHE A 1 19 ? 3.261 -8.765 -6.063 1.00 0.00 ? 19 PHE A CZ 20 ATOM 10802 H H . PHE A 1 19 ? 0.129 -4.522 -1.544 1.00 0.00 ? 19 PHE A H 20 ATOM 10803 H HA . PHE A 1 19 ? 1.122 -4.577 -4.358 1.00 0.00 ? 19 PHE A HA 20 ATOM 10804 H HB2 . PHE A 1 19 ? 3.011 -5.110 -2.983 1.00 0.00 ? 19 PHE A HB2 20 ATOM 10805 H HB3 . PHE A 1 19 ? 2.085 -6.313 -2.080 1.00 0.00 ? 19 PHE A HB3 20 ATOM 10806 H HD1 . PHE A 1 19 ? 3.356 -5.419 -5.439 1.00 0.00 ? 19 PHE A HD1 20 ATOM 10807 H HD2 . PHE A 1 19 ? 1.845 -8.608 -2.957 1.00 0.00 ? 19 PHE A HD2 20 ATOM 10808 H HE1 . PHE A 1 19 ? 3.902 -7.028 -7.204 1.00 0.00 ? 19 PHE A HE1 20 ATOM 10809 H HE2 . PHE A 1 19 ? 2.488 -10.252 -4.700 1.00 0.00 ? 19 PHE A HE2 20 ATOM 10810 H HZ . PHE A 1 19 ? 3.513 -9.483 -6.832 1.00 0.00 ? 19 PHE A HZ 20 ATOM 10811 N N . ASN A 1 20 ? -0.487 -6.334 -5.050 1.00 0.00 ? 20 ASN A N 20 ATOM 10812 C CA . ASN A 1 20 ? -1.516 -7.265 -5.504 1.00 0.00 ? 20 ASN A CA 20 ATOM 10813 C C . ASN A 1 20 ? -0.902 -8.631 -5.856 1.00 0.00 ? 20 ASN A C 20 ATOM 10814 O O . ASN A 1 20 ? -0.137 -8.748 -6.816 1.00 0.00 ? 20 ASN A O 20 ATOM 10815 C CB . ASN A 1 20 ? -2.273 -6.643 -6.683 1.00 0.00 ? 20 ASN A CB 20 ATOM 10816 C CG . ASN A 1 20 ? -3.555 -7.406 -6.955 1.00 0.00 ? 20 ASN A CG 20 ATOM 10817 O OD1 . ASN A 1 20 ? -3.558 -8.614 -7.136 1.00 0.00 ? 20 ASN A OD1 20 ATOM 10818 N ND2 . ASN A 1 20 ? -4.678 -6.735 -6.992 1.00 0.00 ? 20 ASN A ND2 20 ATOM 10819 H H . ASN A 1 20 ? 0.092 -5.887 -5.753 1.00 0.00 ? 20 ASN A H 20 ATOM 10820 H HA . ASN A 1 20 ? -2.234 -7.411 -4.702 1.00 0.00 ? 20 ASN A HA 20 ATOM 10821 H HB2 . ASN A 1 20 ? -2.518 -5.609 -6.442 1.00 0.00 ? 20 ASN A HB2 20 ATOM 10822 H HB3 . ASN A 1 20 ? -1.650 -6.657 -7.577 1.00 0.00 ? 20 ASN A HB3 20 ATOM 10823 H HD21 . ASN A 1 20 ? -4.675 -5.750 -6.772 1.00 0.00 ? 20 ASN A HD21 20 ATOM 10824 H HD22 . ASN A 1 20 ? -5.553 -7.245 -7.041 1.00 0.00 ? 20 ASN A HD22 20 ATOM 10825 N N . HIS A 1 21 ? -1.263 -9.680 -5.112 1.00 0.00 ? 21 HIS A N 20 ATOM 10826 C CA . HIS A 1 21 ? -0.708 -11.028 -5.306 1.00 0.00 ? 21 HIS A CA 20 ATOM 10827 C C . HIS A 1 21 ? -1.250 -11.739 -6.564 1.00 0.00 ? 21 HIS A C 20 ATOM 10828 O O . HIS A 1 21 ? -0.585 -12.626 -7.104 1.00 0.00 ? 21 HIS A O 20 ATOM 10829 C CB . HIS A 1 21 ? -0.921 -11.852 -4.023 1.00 0.00 ? 21 HIS A CB 20 ATOM 10830 C CG . HIS A 1 21 ? -2.205 -12.655 -3.968 1.00 0.00 ? 21 HIS A CG 20 ATOM 10831 N ND1 . HIS A 1 21 ? -2.382 -13.936 -4.503 1.00 0.00 ? 21 HIS A ND1 20 ATOM 10832 C CD2 . HIS A 1 21 ? -3.348 -12.295 -3.318 1.00 0.00 ? 21 HIS A CD2 20 ATOM 10833 C CE1 . HIS A 1 21 ? -3.633 -14.306 -4.178 1.00 0.00 ? 21 HIS A CE1 20 ATOM 10834 N NE2 . HIS A 1 21 ? -4.236 -13.339 -3.467 1.00 0.00 ? 21 HIS A NE2 20 ATOM 10835 H H . HIS A 1 21 ? -1.936 -9.530 -4.367 1.00 0.00 ? 21 HIS A H 20 ATOM 10836 H HA . HIS A 1 21 ? 0.367 -10.927 -5.454 1.00 0.00 ? 21 HIS A HA 20 ATOM 10837 H HB2 . HIS A 1 21 ? -0.087 -12.554 -3.944 1.00 0.00 ? 21 HIS A HB2 20 ATOM 10838 H HB3 . HIS A 1 21 ? -0.876 -11.193 -3.152 1.00 0.00 ? 21 HIS A HB3 20 ATOM 10839 H HD2 . HIS A 1 21 ? -3.516 -11.372 -2.781 1.00 0.00 ? 21 HIS A HD2 20 ATOM 10840 H HE1 . HIS A 1 21 ? -4.090 -15.255 -4.443 1.00 0.00 ? 21 HIS A HE1 20 ATOM 10841 H HE2 . HIS A 1 21 ? -5.178 -13.392 -3.090 1.00 0.00 ? 21 HIS A HE2 20 ATOM 10842 N N . ILE A 1 22 ? -2.432 -11.340 -7.051 1.00 0.00 ? 22 ILE A N 20 ATOM 10843 C CA . ILE A 1 22 ? -3.112 -11.921 -8.218 1.00 0.00 ? 22 ILE A CA 20 ATOM 10844 C C . ILE A 1 22 ? -2.567 -11.332 -9.529 1.00 0.00 ? 22 ILE A C 20 ATOM 10845 O O . ILE A 1 22 ? -2.365 -12.054 -10.508 1.00 0.00 ? 22 ILE A O 20 ATOM 10846 C CB . ILE A 1 22 ? -4.641 -11.675 -8.095 1.00 0.00 ? 22 ILE A CB 20 ATOM 10847 C CG1 . ILE A 1 22 ? -5.175 -12.227 -6.749 1.00 0.00 ? 22 ILE A CG1 20 ATOM 10848 C CG2 . ILE A 1 22 ? -5.387 -12.306 -9.284 1.00 0.00 ? 22 ILE A CG2 20 ATOM 10849 C CD1 . ILE A 1 22 ? -6.692 -12.110 -6.547 1.00 0.00 ? 22 ILE A CD1 20 ATOM 10850 H H . ILE A 1 22 ? -2.897 -10.568 -6.590 1.00 0.00 ? 22 ILE A H 20 ATOM 10851 H HA . ILE A 1 22 ? -2.937 -12.998 -8.234 1.00 0.00 ? 22 ILE A HA 20 ATOM 10852 H HB . ILE A 1 22 ? -4.823 -10.595 -8.124 1.00 0.00 ? 22 ILE A HB 20 ATOM 10853 H HG12 . ILE A 1 22 ? -4.895 -13.279 -6.651 1.00 0.00 ? 22 ILE A HG12 20 ATOM 10854 H HG13 . ILE A 1 22 ? -4.705 -11.676 -5.934 1.00 0.00 ? 22 ILE A HG13 20 ATOM 10855 H HG21 . ILE A 1 22 ? -5.028 -11.892 -10.225 1.00 0.00 ? 22 ILE A HG21 20 ATOM 10856 H HG22 . ILE A 1 22 ? -5.241 -13.386 -9.284 1.00 0.00 ? 22 ILE A HG22 20 ATOM 10857 H HG23 . ILE A 1 22 ? -6.451 -12.082 -9.226 1.00 0.00 ? 22 ILE A HG23 20 ATOM 10858 H HD11 . ILE A 1 22 ? -7.020 -11.092 -6.761 1.00 0.00 ? 22 ILE A HD11 20 ATOM 10859 H HD12 . ILE A 1 22 ? -7.218 -12.809 -7.197 1.00 0.00 ? 22 ILE A HD12 20 ATOM 10860 H HD13 . ILE A 1 22 ? -6.934 -12.353 -5.512 1.00 0.00 ? 22 ILE A HD13 20 ATOM 10861 N N . THR A 1 23 ? -2.305 -10.022 -9.539 1.00 0.00 ? 23 THR A N 20 ATOM 10862 C CA . THR A 1 23 ? -1.956 -9.223 -10.733 1.00 0.00 ? 23 THR A CA 20 ATOM 10863 C C . THR A 1 23 ? -0.512 -8.723 -10.812 1.00 0.00 ? 23 THR A C 20 ATOM 10864 O O . THR A 1 23 ? -0.095 -8.199 -11.848 1.00 0.00 ? 23 THR A O 20 ATOM 10865 C CB . THR A 1 23 ? -2.952 -8.069 -10.936 1.00 0.00 ? 23 THR A CB 20 ATOM 10866 O OG1 . THR A 1 23 ? -2.638 -7.019 -10.053 1.00 0.00 ? 23 THR A OG1 20 ATOM 10867 C CG2 . THR A 1 23 ? -4.417 -8.424 -10.681 1.00 0.00 ? 23 THR A CG2 20 ATOM 10868 H H . THR A 1 23 ? -2.524 -9.508 -8.692 1.00 0.00 ? 23 THR A H 20 ATOM 10869 H HA . THR A 1 23 ? -2.079 -9.866 -11.604 1.00 0.00 ? 23 THR A HA 20 ATOM 10870 H HB . THR A 1 23 ? -2.858 -7.703 -11.959 1.00 0.00 ? 23 THR A HB 20 ATOM 10871 H HG1 . THR A 1 23 ? -3.480 -6.598 -9.837 1.00 0.00 ? 23 THR A HG1 20 ATOM 10872 H HG21 . THR A 1 23 ? -4.685 -9.304 -11.264 1.00 0.00 ? 23 THR A HG21 20 ATOM 10873 H HG22 . THR A 1 23 ? -4.587 -8.624 -9.623 1.00 0.00 ? 23 THR A HG22 20 ATOM 10874 H HG23 . THR A 1 23 ? -5.050 -7.592 -10.989 1.00 0.00 ? 23 THR A HG23 20 ATOM 10875 N N . ASN A 1 24 ? 0.258 -8.880 -9.730 1.00 0.00 ? 24 ASN A N 20 ATOM 10876 C CA . ASN A 1 24 ? 1.607 -8.334 -9.526 1.00 0.00 ? 24 ASN A CA 20 ATOM 10877 C C . ASN A 1 24 ? 1.701 -6.789 -9.574 1.00 0.00 ? 24 ASN A C 20 ATOM 10878 O O . ASN A 1 24 ? 2.804 -6.238 -9.641 1.00 0.00 ? 24 ASN A O 20 ATOM 10879 C CB . ASN A 1 24 ? 2.636 -9.062 -10.418 1.00 0.00 ? 24 ASN A CB 20 ATOM 10880 C CG . ASN A 1 24 ? 2.667 -10.562 -10.172 1.00 0.00 ? 24 ASN A CG 20 ATOM 10881 O OD1 . ASN A 1 24 ? 2.978 -11.035 -9.087 1.00 0.00 ? 24 ASN A OD1 20 ATOM 10882 N ND2 . ASN A 1 24 ? 2.391 -11.364 -11.177 1.00 0.00 ? 24 ASN A ND2 20 ATOM 10883 H H . ASN A 1 24 ? -0.173 -9.305 -8.918 1.00 0.00 ? 24 ASN A H 20 ATOM 10884 H HA . ASN A 1 24 ? 1.870 -8.578 -8.497 1.00 0.00 ? 24 ASN A HA 20 ATOM 10885 H HB2 . ASN A 1 24 ? 2.420 -8.861 -11.468 1.00 0.00 ? 24 ASN A HB2 20 ATOM 10886 H HB3 . ASN A 1 24 ? 3.635 -8.681 -10.196 1.00 0.00 ? 24 ASN A HB3 20 ATOM 10887 H HD21 . ASN A 1 24 ? 2.146 -10.978 -12.080 1.00 0.00 ? 24 ASN A HD21 20 ATOM 10888 H HD22 . ASN A 1 24 ? 2.424 -12.361 -11.018 1.00 0.00 ? 24 ASN A HD22 20 ATOM 10889 N N . ALA A 1 25 ? 0.569 -6.074 -9.527 1.00 0.00 ? 25 ALA A N 20 ATOM 10890 C CA . ALA A 1 25 ? 0.539 -4.616 -9.394 1.00 0.00 ? 25 ALA A CA 20 ATOM 10891 C C . ALA A 1 25 ? 1.062 -4.144 -8.019 1.00 0.00 ? 25 ALA A C 20 ATOM 10892 O O . ALA A 1 25 ? 1.002 -4.877 -7.029 1.00 0.00 ? 25 ALA A O 20 ATOM 10893 C CB . ALA A 1 25 ? -0.892 -4.126 -9.654 1.00 0.00 ? 25 ALA A CB 20 ATOM 10894 H H . ALA A 1 25 ? -0.314 -6.568 -9.506 1.00 0.00 ? 25 ALA A H 20 ATOM 10895 H HA . ALA A 1 25 ? 1.185 -4.186 -10.161 1.00 0.00 ? 25 ALA A HA 20 ATOM 10896 H HB1 . ALA A 1 25 ? -1.566 -4.516 -8.892 1.00 0.00 ? 25 ALA A HB1 20 ATOM 10897 H HB2 . ALA A 1 25 ? -0.920 -3.036 -9.631 1.00 0.00 ? 25 ALA A HB2 20 ATOM 10898 H HB3 . ALA A 1 25 ? -1.226 -4.464 -10.637 1.00 0.00 ? 25 ALA A HB3 20 ATOM 10899 N N . SER A 1 26 ? 1.546 -2.900 -7.942 1.00 0.00 ? 26 SER A N 20 ATOM 10900 C CA . SER A 1 26 ? 2.021 -2.264 -6.701 1.00 0.00 ? 26 SER A CA 20 ATOM 10901 C C . SER A 1 26 ? 1.648 -0.776 -6.632 1.00 0.00 ? 26 SER A C 20 ATOM 10902 O O . SER A 1 26 ? 1.544 -0.108 -7.666 1.00 0.00 ? 26 SER A O 20 ATOM 10903 C CB . SER A 1 26 ? 3.533 -2.457 -6.517 1.00 0.00 ? 26 SER A CB 20 ATOM 10904 O OG . SER A 1 26 ? 4.279 -1.869 -7.571 1.00 0.00 ? 26 SER A OG 20 ATOM 10905 H H . SER A 1 26 ? 1.538 -2.331 -8.777 1.00 0.00 ? 26 SER A H 20 ATOM 10906 H HA . SER A 1 26 ? 1.544 -2.769 -5.862 1.00 0.00 ? 26 SER A HA 20 ATOM 10907 H HB2 . SER A 1 26 ? 3.834 -2.002 -5.571 1.00 0.00 ? 26 SER A HB2 20 ATOM 10908 H HB3 . SER A 1 26 ? 3.759 -3.521 -6.468 1.00 0.00 ? 26 SER A HB3 20 ATOM 10909 H HG . SER A 1 26 ? 4.162 -2.420 -8.360 1.00 0.00 ? 26 SER A HG 20 ATOM 10910 N N . GLN A 1 27 ? 1.448 -0.250 -5.419 1.00 0.00 ? 27 GLN A N 20 ATOM 10911 C CA . GLN A 1 27 ? 1.102 1.156 -5.157 1.00 0.00 ? 27 GLN A CA 20 ATOM 10912 C C . GLN A 1 27 ? 1.683 1.696 -3.844 1.00 0.00 ? 27 GLN A C 20 ATOM 10913 O O . GLN A 1 27 ? 1.669 1.017 -2.818 1.00 0.00 ? 27 GLN A O 20 ATOM 10914 C CB . GLN A 1 27 ? -0.426 1.349 -5.090 1.00 0.00 ? 27 GLN A CB 20 ATOM 10915 C CG . GLN A 1 27 ? -1.136 1.332 -6.448 1.00 0.00 ? 27 GLN A CG 20 ATOM 10916 C CD . GLN A 1 27 ? -2.635 1.652 -6.388 1.00 0.00 ? 27 GLN A CD 20 ATOM 10917 O OE1 . GLN A 1 27 ? -3.357 1.480 -7.362 1.00 0.00 ? 27 GLN A OE1 20 ATOM 10918 N NE2 . GLN A 1 27 ? -3.168 2.206 -5.316 1.00 0.00 ? 27 GLN A NE2 20 ATOM 10919 H H . GLN A 1 27 ? 1.532 -0.864 -4.615 1.00 0.00 ? 27 GLN A H 20 ATOM 10920 H HA . GLN A 1 27 ? 1.493 1.776 -5.966 1.00 0.00 ? 27 GLN A HA 20 ATOM 10921 H HB2 . GLN A 1 27 ? -0.864 0.592 -4.437 1.00 0.00 ? 27 GLN A HB2 20 ATOM 10922 H HB3 . GLN A 1 27 ? -0.607 2.329 -4.649 1.00 0.00 ? 27 GLN A HB3 20 ATOM 10923 H HG2 . GLN A 1 27 ? -0.662 2.081 -7.083 1.00 0.00 ? 27 GLN A HG2 20 ATOM 10924 H HG3 . GLN A 1 27 ? -1.015 0.350 -6.902 1.00 0.00 ? 27 GLN A HG3 20 ATOM 10925 H HE21 . GLN A 1 27 ? -2.617 2.356 -4.472 1.00 0.00 ? 27 GLN A HE21 20 ATOM 10926 H HE22 . GLN A 1 27 ? -4.141 2.465 -5.359 1.00 0.00 ? 27 GLN A HE22 20 ATOM 10927 N N . PHE A 1 28 ? 2.129 2.955 -3.861 1.00 0.00 ? 28 PHE A N 20 ATOM 10928 C CA . PHE A 1 28 ? 2.503 3.703 -2.654 1.00 0.00 ? 28 PHE A CA 20 ATOM 10929 C C . PHE A 1 28 ? 1.327 4.304 -1.860 1.00 0.00 ? 28 PHE A C 20 ATOM 10930 O O . PHE A 1 28 ? 1.465 4.653 -0.687 1.00 0.00 ? 28 PHE A O 20 ATOM 10931 C CB . PHE A 1 28 ? 3.622 4.713 -2.949 1.00 0.00 ? 28 PHE A CB 20 ATOM 10932 C CG . PHE A 1 28 ? 5.000 4.089 -3.084 1.00 0.00 ? 28 PHE A CG 20 ATOM 10933 C CD1 . PHE A 1 28 ? 5.502 3.745 -4.355 1.00 0.00 ? 28 PHE A CD1 20 ATOM 10934 C CD2 . PHE A 1 28 ? 5.787 3.859 -1.939 1.00 0.00 ? 28 PHE A CD2 20 ATOM 10935 C CE1 . PHE A 1 28 ? 6.786 3.182 -4.479 1.00 0.00 ? 28 PHE A CE1 20 ATOM 10936 C CE2 . PHE A 1 28 ? 7.073 3.303 -2.064 1.00 0.00 ? 28 PHE A CE2 20 ATOM 10937 C CZ . PHE A 1 28 ? 7.573 2.965 -3.334 1.00 0.00 ? 28 PHE A CZ 20 ATOM 10938 H H . PHE A 1 28 ? 2.144 3.449 -4.744 1.00 0.00 ? 28 PHE A H 20 ATOM 10939 H HA . PHE A 1 28 ? 2.943 2.985 -1.959 1.00 0.00 ? 28 PHE A HA 20 ATOM 10940 H HB2 . PHE A 1 28 ? 3.377 5.267 -3.860 1.00 0.00 ? 28 PHE A HB2 20 ATOM 10941 H HB3 . PHE A 1 28 ? 3.669 5.430 -2.126 1.00 0.00 ? 28 PHE A HB3 20 ATOM 10942 H HD1 . PHE A 1 28 ? 4.903 3.915 -5.240 1.00 0.00 ? 28 PHE A HD1 20 ATOM 10943 H HD2 . PHE A 1 28 ? 5.406 4.116 -0.958 1.00 0.00 ? 28 PHE A HD2 20 ATOM 10944 H HE1 . PHE A 1 28 ? 7.169 2.920 -5.456 1.00 0.00 ? 28 PHE A HE1 20 ATOM 10945 H HE2 . PHE A 1 28 ? 7.676 3.134 -1.182 1.00 0.00 ? 28 PHE A HE2 20 ATOM 10946 H HZ . PHE A 1 28 ? 8.562 2.535 -3.431 1.00 0.00 ? 28 PHE A HZ 20 ATOM 10947 N N . GLU A 1 29 ? 0.159 4.403 -2.506 1.00 0.00 ? 29 GLU A N 20 ATOM 10948 C CA . GLU A 1 29 ? -1.112 4.873 -1.938 1.00 0.00 ? 29 GLU A CA 20 ATOM 10949 C C . GLU A 1 29 ? -2.127 3.720 -1.796 1.00 0.00 ? 29 GLU A C 20 ATOM 10950 O O . GLU A 1 29 ? -2.143 2.788 -2.608 1.00 0.00 ? 29 GLU A O 20 ATOM 10951 C CB . GLU A 1 29 ? -1.649 6.026 -2.810 1.00 0.00 ? 29 GLU A CB 20 ATOM 10952 C CG . GLU A 1 29 ? -2.943 6.688 -2.309 1.00 0.00 ? 29 GLU A CG 20 ATOM 10953 C CD . GLU A 1 29 ? -2.782 7.287 -0.898 1.00 0.00 ? 29 GLU A CD 20 ATOM 10954 O OE1 . GLU A 1 29 ? -2.983 6.551 0.096 1.00 0.00 ? 29 GLU A OE1 20 ATOM 10955 O OE2 . GLU A 1 29 ? -2.443 8.491 -0.781 1.00 0.00 ? 29 GLU A OE2 20 ATOM 10956 H H . GLU A 1 29 ? 0.130 4.065 -3.458 1.00 0.00 ? 29 GLU A H 20 ATOM 10957 H HA . GLU A 1 29 ? -0.926 5.267 -0.938 1.00 0.00 ? 29 GLU A HA 20 ATOM 10958 H HB2 . GLU A 1 29 ? -0.879 6.796 -2.879 1.00 0.00 ? 29 GLU A HB2 20 ATOM 10959 H HB3 . GLU A 1 29 ? -1.830 5.646 -3.817 1.00 0.00 ? 29 GLU A HB3 20 ATOM 10960 H HG2 . GLU A 1 29 ? -3.219 7.476 -3.013 1.00 0.00 ? 29 GLU A HG2 20 ATOM 10961 H HG3 . GLU A 1 29 ? -3.754 5.957 -2.316 1.00 0.00 ? 29 GLU A HG3 20 ATOM 10962 N N . ARG A 1 30 ? -2.989 3.788 -0.774 1.00 0.00 ? 30 ARG A N 20 ATOM 10963 C CA . ARG A 1 30 ? -3.961 2.744 -0.413 1.00 0.00 ? 30 ARG A CA 20 ATOM 10964 C C . ARG A 1 30 ? -4.993 2.494 -1.543 1.00 0.00 ? 30 ARG A C 20 ATOM 10965 O O . ARG A 1 30 ? -5.683 3.437 -1.944 1.00 0.00 ? 30 ARG A O 20 ATOM 10966 C CB . ARG A 1 30 ? -4.575 3.124 0.950 1.00 0.00 ? 30 ARG A CB 20 ATOM 10967 C CG . ARG A 1 30 ? -5.641 2.145 1.468 1.00 0.00 ? 30 ARG A CG 20 ATOM 10968 C CD . ARG A 1 30 ? -7.064 2.597 1.102 1.00 0.00 ? 30 ARG A CD 20 ATOM 10969 N NE . ARG A 1 30 ? -7.899 1.477 0.650 1.00 0.00 ? 30 ARG A NE 20 ATOM 10970 C CZ . ARG A 1 30 ? -8.489 0.548 1.374 1.00 0.00 ? 30 ARG A CZ 20 ATOM 10971 N NH1 . ARG A 1 30 ? -8.375 0.464 2.668 1.00 0.00 ? 30 ARG A NH1 20 ATOM 10972 N NH2 . ARG A 1 30 ? -9.215 -0.351 0.785 1.00 0.00 ? 30 ARG A NH2 20 ATOM 10973 H H . ARG A 1 30 ? -2.971 4.635 -0.209 1.00 0.00 ? 30 ARG A H 20 ATOM 10974 H HA . ARG A 1 30 ? -3.399 1.827 -0.259 1.00 0.00 ? 30 ARG A HA 20 ATOM 10975 H HB2 . ARG A 1 30 ? -3.765 3.149 1.680 1.00 0.00 ? 30 ARG A HB2 20 ATOM 10976 H HB3 . ARG A 1 30 ? -4.993 4.132 0.903 1.00 0.00 ? 30 ARG A HB3 20 ATOM 10977 H HG2 . ARG A 1 30 ? -5.439 1.147 1.072 1.00 0.00 ? 30 ARG A HG2 20 ATOM 10978 H HG3 . ARG A 1 30 ? -5.574 2.101 2.558 1.00 0.00 ? 30 ARG A HG3 20 ATOM 10979 H HD2 . ARG A 1 30 ? -7.521 3.092 1.962 1.00 0.00 ? 30 ARG A HD2 20 ATOM 10980 H HD3 . ARG A 1 30 ? -7.023 3.330 0.294 1.00 0.00 ? 30 ARG A HD3 20 ATOM 10981 H HE . ARG A 1 30 ? -7.980 1.348 -0.351 1.00 0.00 ? 30 ARG A HE 20 ATOM 10982 H HH11 . ARG A 1 30 ? -7.820 1.139 3.164 1.00 0.00 ? 30 ARG A HH11 20 ATOM 10983 H HH12 . ARG A 1 30 ? -8.774 -0.333 3.142 1.00 0.00 ? 30 ARG A HH12 20 ATOM 10984 H HH21 . ARG A 1 30 ? -9.311 -0.326 -0.219 1.00 0.00 ? 30 ARG A HH21 20 ATOM 10985 H HH22 . ARG A 1 30 ? -9.627 -1.083 1.345 1.00 0.00 ? 30 ARG A HH22 20 ATOM 10986 N N . PRO A 1 31 ? -5.111 1.261 -2.080 1.00 0.00 ? 31 PRO A N 20 ATOM 10987 C CA . PRO A 1 31 ? -5.903 0.962 -3.279 1.00 0.00 ? 31 PRO A CA 20 ATOM 10988 C C . PRO A 1 31 ? -7.414 0.951 -3.001 1.00 0.00 ? 31 PRO A C 20 ATOM 10989 O O . PRO A 1 31 ? -7.867 0.469 -1.961 1.00 0.00 ? 31 PRO A O 20 ATOM 10990 C CB . PRO A 1 31 ? -5.393 -0.396 -3.778 1.00 0.00 ? 31 PRO A CB 20 ATOM 10991 C CG . PRO A 1 31 ? -4.958 -1.084 -2.488 1.00 0.00 ? 31 PRO A CG 20 ATOM 10992 C CD . PRO A 1 31 ? -4.390 0.067 -1.664 1.00 0.00 ? 31 PRO A CD 20 ATOM 10993 H HA . PRO A 1 31 ? -5.699 1.711 -4.044 1.00 0.00 ? 31 PRO A HA 20 ATOM 10994 H HB2 . PRO A 1 31 ? -6.158 -0.966 -4.305 1.00 0.00 ? 31 PRO A HB2 20 ATOM 10995 H HB3 . PRO A 1 31 ? -4.521 -0.249 -4.417 1.00 0.00 ? 31 PRO A HB3 20 ATOM 10996 H HG2 . PRO A 1 31 ? -5.831 -1.500 -1.986 1.00 0.00 ? 31 PRO A HG2 20 ATOM 10997 H HG3 . PRO A 1 31 ? -4.206 -1.852 -2.661 1.00 0.00 ? 31 PRO A HG3 20 ATOM 10998 H HD2 . PRO A 1 31 ? -4.523 -0.131 -0.601 1.00 0.00 ? 31 PRO A HD2 20 ATOM 10999 H HD3 . PRO A 1 31 ? -3.334 0.196 -1.899 1.00 0.00 ? 31 PRO A HD3 20 ATOM 11000 N N . SER A 1 32 ? -8.204 1.477 -3.941 1.00 0.00 ? 32 SER A N 20 ATOM 11001 C CA . SER A 1 32 ? -9.654 1.716 -3.777 1.00 0.00 ? 32 SER A CA 20 ATOM 11002 C C . SER A 1 32 ? -10.539 1.048 -4.849 1.00 0.00 ? 32 SER A C 20 ATOM 11003 O O . SER A 1 32 ? -11.742 1.315 -4.919 1.00 0.00 ? 32 SER A O 20 ATOM 11004 C CB . SER A 1 32 ? -9.924 3.226 -3.684 1.00 0.00 ? 32 SER A CB 20 ATOM 11005 O OG . SER A 1 32 ? -9.292 3.780 -2.537 1.00 0.00 ? 32 SER A OG 20 ATOM 11006 H H . SER A 1 32 ? -7.764 1.839 -4.778 1.00 0.00 ? 32 SER A H 20 ATOM 11007 H HA . SER A 1 32 ? -9.979 1.281 -2.832 1.00 0.00 ? 32 SER A HA 20 ATOM 11008 H HB2 . SER A 1 32 ? -9.561 3.722 -4.585 1.00 0.00 ? 32 SER A HB2 20 ATOM 11009 H HB3 . SER A 1 32 ? -10.999 3.398 -3.601 1.00 0.00 ? 32 SER A HB3 20 ATOM 11010 H HG . SER A 1 32 ? -8.335 3.736 -2.672 1.00 0.00 ? 32 SER A HG 20 ATOM 11011 N N . GLY A 1 33 ? -9.962 0.173 -5.684 1.00 0.00 ? 33 GLY A N 20 ATOM 11012 C CA . GLY A 1 33 ? -10.646 -0.572 -6.755 1.00 0.00 ? 33 GLY A CA 20 ATOM 11013 C C . GLY A 1 33 ? -9.753 -1.594 -7.462 1.00 0.00 ? 33 GLY A C 20 ATOM 11014 O O . GLY A 1 33 ? -8.519 -1.386 -7.510 1.00 0.00 ? 33 GLY A O 20 ATOM 11015 O OXT . GLY A 1 33 ? -10.304 -2.591 -7.976 1.00 0.00 ? 33 GLY A OXT 20 ATOM 11016 H H . GLY A 1 33 ? -8.971 0.005 -5.573 1.00 0.00 ? 33 GLY A H 20 ATOM 11017 H HA2 . GLY A 1 33 ? -11.501 -1.103 -6.337 1.00 0.00 ? 33 GLY A HA2 20 ATOM 11018 H HA3 . GLY A 1 33 ? -11.013 0.126 -7.508 1.00 0.00 ? 33 GLY A HA3 20 HETATM 11019 C C1 . GAL B 2 . ? 12.736 2.123 0.132 1.00 0.00 ? 101 GAL A C1 20 HETATM 11020 C C2 . GAL B 2 . ? 12.373 3.574 -0.247 1.00 0.00 ? 101 GAL A C2 20 HETATM 11021 C C3 . GAL B 2 . ? 11.325 3.529 -1.372 1.00 0.00 ? 101 GAL A C3 20 HETATM 11022 C C4 . GAL B 2 . ? 11.851 2.740 -2.588 1.00 0.00 ? 101 GAL A C4 20 HETATM 11023 C C5 . GAL B 2 . ? 12.346 1.339 -2.177 1.00 0.00 ? 101 GAL A C5 20 HETATM 11024 C C6 . GAL B 2 . ? 13.014 0.554 -3.315 1.00 0.00 ? 101 GAL A C6 20 HETATM 11025 O O2 . GAL B 2 . ? 11.830 4.277 0.904 1.00 0.00 ? 101 GAL A O2 20 HETATM 11026 O O3 . GAL B 2 . ? 10.996 4.880 -1.796 1.00 0.00 ? 101 GAL A O3 20 HETATM 11027 O O4 . GAL B 2 . ? 12.941 3.488 -3.179 1.00 0.00 ? 101 GAL A O4 20 HETATM 11028 O O5 . GAL B 2 . ? 13.295 1.437 -1.034 1.00 0.00 ? 101 GAL A O5 20 HETATM 11029 O O6 . GAL B 2 . ? 13.578 -0.652 -2.766 1.00 0.00 ? 101 GAL A O6 20 HETATM 11030 H H1 . GAL B 2 . ? 11.842 1.592 0.457 1.00 0.00 ? 101 GAL A H1 20 HETATM 11031 H H2 . GAL B 2 . ? 13.266 4.100 -0.588 1.00 0.00 ? 101 GAL A H2 20 HETATM 11032 H H3 . GAL B 2 . ? 10.418 3.049 -1.002 1.00 0.00 ? 101 GAL A H3 20 HETATM 11033 H H4 . GAL B 2 . ? 11.056 2.640 -3.328 1.00 0.00 ? 101 GAL A H4 20 HETATM 11034 H H5 . GAL B 2 . ? 11.481 0.771 -1.842 1.00 0.00 ? 101 GAL A H5 20 HETATM 11035 H H61 . GAL B 2 . ? 12.283 0.301 -4.085 1.00 0.00 ? 101 GAL A H61 20 HETATM 11036 H H62 . GAL B 2 . ? 13.818 1.139 -3.766 1.00 0.00 ? 101 GAL A H62 20 HETATM 11037 H HO2 . GAL B 2 . ? 12.584 4.557 1.447 1.00 0.00 ? 101 GAL A HO2 20 HETATM 11038 H HO3 . GAL B 2 . ? 10.769 5.386 -1.000 1.00 0.00 ? 101 GAL A HO3 20 HETATM 11039 H HO4 . GAL B 2 . ? 12.630 4.402 -3.289 1.00 0.00 ? 101 GAL A HO4 20 HETATM 11040 H HO6 . GAL B 2 . ? 14.011 -0.392 -1.938 1.00 0.00 ? 101 GAL A HO6 20 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 LYS 1 1 1 LYS LYS A . n A 1 2 LEU 2 2 2 LEU LEU A . n A 1 3 PRO 3 3 3 PRO PRO A . n A 1 4 PRO 4 4 4 PRO PRO A . n A 1 5 GLY 5 5 5 GLY GLY A . n A 1 6 TRP 6 6 6 TRP TRP A . n A 1 7 GLU 7 7 7 GLU GLU A . n A 1 8 LYS 8 8 8 LYS LYS A . n A 1 9 ARG 9 9 9 ARG ARG A . n A 1 10 MET 10 10 10 MET MET A . n A 1 11 PHE 11 11 11 PHE PHE A . n A 1 12 ALA 12 12 12 ALA ALA A . n A 1 13 ASN 13 13 13 ASN ASN A . n A 1 14 GLY 14 14 14 GLY GLY A . n A 1 15 THR 15 15 15 THR THR A . n A 1 16 VAL 16 16 16 VAL VAL A . n A 1 17 TYR 17 17 17 TYR TYR A . n A 1 18 TYR 18 18 18 TYR TYR A . n A 1 19 PHE 19 19 19 PHE PHE A . n A 1 20 ASN 20 20 20 ASN ASN A . n A 1 21 HIS 21 21 21 HIS HIS A . n A 1 22 ILE 22 22 22 ILE ILE A . n A 1 23 THR 23 23 23 THR THR A . n A 1 24 ASN 24 24 24 ASN ASN A . n A 1 25 ALA 25 25 25 ALA ALA A . n A 1 26 SER 26 26 26 SER SER A . n A 1 27 GLN 27 27 27 GLN GLN A . n A 1 28 PHE 28 28 28 PHE PHE A . n A 1 29 GLU 29 29 29 GLU GLU A . n A 1 30 ARG 30 30 30 ARG ARG A . n A 1 31 PRO 31 31 31 PRO PRO A . n A 1 32 SER 32 32 32 SER SER A . n A 1 33 GLY 33 33 33 GLY GLY A . n # _pdbx_nonpoly_scheme.asym_id B _pdbx_nonpoly_scheme.entity_id 2 _pdbx_nonpoly_scheme.mon_id GAL _pdbx_nonpoly_scheme.ndb_seq_num 1 _pdbx_nonpoly_scheme.pdb_seq_num 101 _pdbx_nonpoly_scheme.auth_seq_num 34 _pdbx_nonpoly_scheme.pdb_mon_id GAL _pdbx_nonpoly_scheme.auth_mon_id GAL _pdbx_nonpoly_scheme.pdb_strand_id A _pdbx_nonpoly_scheme.pdb_ins_code . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 13 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 13 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2016-06-08 2 'Structure model' 1 1 2016-07-13 # _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_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # _pdbx_nmr_ensemble_rms.atom_type ? _pdbx_nmr_ensemble_rms.bond_angle_rms_dev ? _pdbx_nmr_ensemble_rms.bond_angle_rms_dev_error ? _pdbx_nmr_ensemble_rms.chain_range_begin ? _pdbx_nmr_ensemble_rms.chain_range_end ? _pdbx_nmr_ensemble_rms.coord_average_rmsd_method ? _pdbx_nmr_ensemble_rms.covalent_bond_rms_dev ? _pdbx_nmr_ensemble_rms.covalent_bond_rms_dev_error ? _pdbx_nmr_ensemble_rms.dihedral_angles_rms_dev ? _pdbx_nmr_ensemble_rms.dihedral_angles_rms_dev_error ? _pdbx_nmr_ensemble_rms.distance_rms_dev 0.204 _pdbx_nmr_ensemble_rms.distance_rms_dev_error ? _pdbx_nmr_ensemble_rms.entry_id 2NC4 _pdbx_nmr_ensemble_rms.improper_torsion_angle_rms_dev ? _pdbx_nmr_ensemble_rms.improper_torsion_angle_rms_dev_error ? _pdbx_nmr_ensemble_rms.peptide_planarity_rms_dev ? _pdbx_nmr_ensemble_rms.peptide_planarity_rms_dev_error ? _pdbx_nmr_ensemble_rms.residue_range_begin ? _pdbx_nmr_ensemble_rms.residue_range_end ? # _pdbx_nmr_exptl_sample.component 'Pin WW Domain Peptide-1' _pdbx_nmr_exptl_sample.concentration 1.5 _pdbx_nmr_exptl_sample.concentration_range ? _pdbx_nmr_exptl_sample.concentration_units uM _pdbx_nmr_exptl_sample.isotopic_labeling ? _pdbx_nmr_exptl_sample.solution_id 1 # _pdbx_nmr_constraints.disulfide_bond_constraints_total_count ? _pdbx_nmr_constraints.entry_id 2NC4 _pdbx_nmr_constraints.hydrogen_bond_constraints_total_count ? _pdbx_nmr_constraints.NA_alpha-angle_constraints_total_count ? _pdbx_nmr_constraints.NA_beta-angle_constraints_total_count ? _pdbx_nmr_constraints.NA_chi-angle_constraints_total_count ? _pdbx_nmr_constraints.NA_delta-angle_constraints_total_count ? _pdbx_nmr_constraints.NA_epsilon-angle_constraints_total_count ? _pdbx_nmr_constraints.NA_gamma-angle_constraints_total_count ? _pdbx_nmr_constraints.NA_other-angle_constraints_total_count ? _pdbx_nmr_constraints.NA_sugar_pucker_constraints_total_count ? _pdbx_nmr_constraints.NOE_constraints_total 630 _pdbx_nmr_constraints.NOE_interentity_total_count ? _pdbx_nmr_constraints.NOE_interproton_distance_evaluation ? _pdbx_nmr_constraints.NOE_intraresidue_total_count 334 _pdbx_nmr_constraints.NOE_long_range_total_count 124 _pdbx_nmr_constraints.NOE_medium_range_total_count 50 _pdbx_nmr_constraints.NOE_motional_averaging_correction ? _pdbx_nmr_constraints.NOE_pseudoatom_corrections ? _pdbx_nmr_constraints.NOE_sequential_total_count 122 _pdbx_nmr_constraints.protein_chi_angle_constraints_total_count 0 _pdbx_nmr_constraints.protein_other_angle_constraints_total_count ? _pdbx_nmr_constraints.protein_phi_angle_constraints_total_count 29 _pdbx_nmr_constraints.protein_psi_angle_constraints_total_count 29 # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 4 NE A ARG 9 ? ? CZ A ARG 9 ? ? NH1 A ARG 9 ? ? 123.30 120.30 3.00 0.50 N 2 4 NE A ARG 30 ? ? CZ A ARG 30 ? ? NH2 A ARG 30 ? ? 123.43 120.30 3.13 0.50 N 3 6 NE A ARG 9 ? ? CZ A ARG 9 ? ? NH2 A ARG 9 ? ? 123.33 120.30 3.03 0.50 N 4 6 NE A ARG 30 ? ? CZ A ARG 30 ? ? NH2 A ARG 30 ? ? 123.51 120.30 3.21 0.50 N 5 7 NE A ARG 30 ? ? CZ A ARG 30 ? ? NH1 A ARG 30 ? ? 123.35 120.30 3.05 0.50 N 6 8 NE A ARG 9 ? ? CZ A ARG 9 ? ? NH2 A ARG 9 ? ? 123.35 120.30 3.05 0.50 N 7 8 NE A ARG 30 ? ? CZ A ARG 30 ? ? NH1 A ARG 30 ? ? 123.52 120.30 3.22 0.50 N 8 9 NE A ARG 30 ? ? CZ A ARG 30 ? ? NH1 A ARG 30 ? ? 123.39 120.30 3.09 0.50 N 9 10 NE A ARG 30 ? ? CZ A ARG 30 ? ? NH1 A ARG 30 ? ? 123.67 120.30 3.37 0.50 N 10 11 NE A ARG 30 ? ? CZ A ARG 30 ? ? NH1 A ARG 30 ? ? 123.53 120.30 3.23 0.50 N 11 12 NE A ARG 30 ? ? CZ A ARG 30 ? ? NH1 A ARG 30 ? ? 123.52 120.30 3.22 0.50 N 12 16 NE A ARG 30 ? ? CZ A ARG 30 ? ? NH1 A ARG 30 ? ? 123.32 120.30 3.02 0.50 N 13 18 NE A ARG 9 ? ? CZ A ARG 9 ? ? NH1 A ARG 9 ? ? 123.32 120.30 3.02 0.50 N 14 20 NE A ARG 30 ? ? CZ A ARG 30 ? ? NH1 A ARG 30 ? ? 123.55 120.30 3.25 0.50 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 7 SER A 32 ? ? -143.04 26.21 2 10 ASN A 24 ? ? 53.24 19.06 3 16 SER A 32 ? ? 58.59 15.40 # _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name BETA-D-GALACTOSE _pdbx_entity_nonpoly.comp_id GAL #