data_6QM1 # _entry.id 6QM1 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.302 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 6QM1 WWPDB D_1292100264 BMRB 34360 # loop_ _pdbx_database_related.db_name _pdbx_database_related.details _pdbx_database_related.db_id _pdbx_database_related.content_type PDB 'DMSO solution NMR of the full length WT peptide in complex with lipid II' 1WCO unspecified BMRB 'Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B (Lan8,11) analogue' 34360 unspecified # _pdbx_database_status.status_code AUTH _pdbx_database_status.status_code_sf ? _pdbx_database_status.status_code_mr AUTH _pdbx_database_status.entry_id 6QM1 _pdbx_database_status.recvd_initial_deposition_date 2019-02-01 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site PDBE _pdbx_database_status.process_site PDBE _pdbx_database_status.status_code_cs AUTH _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal _audit_author.identifier_ORCID 'Dickman, R.' 1 0000-0003-3139-5423 'Mitchell, S.A.' 2 ? 'Figueiredo, A.' 3 0000-0001-7039-5341 'Hansen, D.F.' 4 0000-0003-0891-220X 'Tabor, A.B.' 5 0000-0001-8216-0347 # loop_ _citation.abstract _citation.abstract_id_CAS _citation.book_id_ISBN _citation.book_publisher _citation.book_publisher_city _citation.book_title _citation.coordinate_linkage _citation.country _citation.database_id_Medline _citation.details _citation.id _citation.journal_abbrev _citation.journal_id_ASTM _citation.journal_id_CSD _citation.journal_id_ISSN _citation.journal_full _citation.journal_issue _citation.journal_volume _citation.language _citation.page_first _citation.page_last _citation.title _citation.year _citation.database_id_CSD _citation.pdbx_database_id_DOI _citation.pdbx_database_id_PubMed _citation.unpublished_flag ? ? ? ? ? ? ? ? ? ? primary 'To Be Published' ? 0353 ? ? ? ? ? ? ? ;Towards understanding the molecular recognition of lipid II by nisin: Solid-phase synthesis and conformational studies of analogues of nisin and mutacin ring A and ring B. ; ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 1 'To Be Published' ? 0353 ? ? ? ? ? ? ? ;A chemical biology approach to understanding molecular recognition of lipid II by nisin: Solid-phase synthesis and NMR ensemble analysis of nisin(1-12) and a synthetic ana-logue. ; ? ? ? ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Dickman, R.' 1 0000-0003-3139-5423 primary 'Mitchell, S.A.' 2 ? primary 'Figueiredo, A.' 3 0000-0001-7039-5341 primary 'Hansen, D.F.' 4 0000-0003-0891-220X primary 'Tabor, A.B.' 5 0000-0001-8216-0347 1 'Dickman, R.' 6 0000-0003-3139-5423 1 'Danelius, E.' 7 0000-0002-7322-9661 1 'Mitchell, S.A.' 8 ? 1 'Hansen, D.F.' 9 0000-0003-0891-220X 1 'Erdelyi, M.' 10 0000-0003-0359-5970 1 'Tabor, A.B.' 11 0000-0001-8216-0347 # _entity.id 1 _entity.type polymer _entity.src_method syn _entity.pdbx_description DAL-PRO-GLY-CYS-LYS _entity.formula_weight 475.582 _entity.pdbx_number_of_molecules 1 _entity.pdbx_ec ? _entity.pdbx_mutation ? _entity.pdbx_fragment ? _entity.details ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer yes _entity_poly.pdbx_seq_one_letter_code '(DAL)PGCK' _entity_poly.pdbx_seq_one_letter_code_can APGCK _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 DAL n 1 2 PRO n 1 3 GLY n 1 4 CYS n 1 5 LYS 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 1 _pdbx_entity_src_syn.pdbx_end_seq_num 5 _pdbx_entity_src_syn.organism_scientific 'Lactococcus lactis' _pdbx_entity_src_syn.organism_common_name ? _pdbx_entity_src_syn.ncbi_taxonomy_id 1358 _pdbx_entity_src_syn.details ? # _struct_ref.id 1 _struct_ref.db_name PDB _struct_ref.db_code 6QM1 _struct_ref.pdbx_db_accession 6QM1 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_align_begin 1 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 6QM1 _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 5 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession 6QM1 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 5 _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 5 # 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 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 DAL 'D-peptide linking' . D-ALANINE ? 'C3 H7 N O2' 89.093 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 # loop_ _pdbx_nmr_exptl.experiment_id _pdbx_nmr_exptl.conditions_id _pdbx_nmr_exptl.solution_id _pdbx_nmr_exptl.type _pdbx_nmr_exptl.spectrometer_id _pdbx_nmr_exptl.sample_state 1 1 1 '2D 1H-1H COSY' 1 isotropic 2 1 1 '2D 1H-13C HSQC' 1 isotropic 4 1 1 '2D 1H-1H NOESY' 1 isotropic 5 1 1 '2D 1H-13C HMBC' 1 isotropic # _pdbx_nmr_exptl_sample_conditions.conditions_id 1 _pdbx_nmr_exptl_sample_conditions.temperature 298 _pdbx_nmr_exptl_sample_conditions.pressure_units atm _pdbx_nmr_exptl_sample_conditions.pressure 1 _pdbx_nmr_exptl_sample_conditions.pH 5.0 _pdbx_nmr_exptl_sample_conditions.ionic_strength 'TFA salt' _pdbx_nmr_exptl_sample_conditions.details ? _pdbx_nmr_exptl_sample_conditions.ionic_strength_err ? _pdbx_nmr_exptl_sample_conditions.ionic_strength_units 'Not defined' _pdbx_nmr_exptl_sample_conditions.label DMSO_rt _pdbx_nmr_exptl_sample_conditions.pH_err ? _pdbx_nmr_exptl_sample_conditions.pH_units pH _pdbx_nmr_exptl_sample_conditions.pressure_err ? _pdbx_nmr_exptl_sample_conditions.temperature_err ? _pdbx_nmr_exptl_sample_conditions.temperature_units K # _pdbx_nmr_sample_details.solution_id 1 _pdbx_nmr_sample_details.contents '2.0 mg/mL NA- Nisin Ring B (Lan8,11) analogue, DMSO' _pdbx_nmr_sample_details.solvent_system DMSO _pdbx_nmr_sample_details.label sample_1 _pdbx_nmr_sample_details.type 'lyophilized powder' _pdbx_nmr_sample_details.details 'HPLC purified peptide (TFA salt) was dissolved directly in DMSO' # _pdbx_nmr_spectrometer.spectrometer_id 1 _pdbx_nmr_spectrometer.model Avance _pdbx_nmr_spectrometer.type ? _pdbx_nmr_spectrometer.manufacturer Bruker _pdbx_nmr_spectrometer.field_strength 600 _pdbx_nmr_spectrometer.details ? # _pdbx_nmr_refine.entry_id 6QM1 _pdbx_nmr_refine.method 'simulated annealing' _pdbx_nmr_refine.details ? _pdbx_nmr_refine.software_ordinal 2 # _pdbx_nmr_ensemble.entry_id 6QM1 _pdbx_nmr_ensemble.conformers_calculated_total_number 100 _pdbx_nmr_ensemble.conformers_submitted_total_number 15 _pdbx_nmr_ensemble.conformer_selection_criteria 'structures with the lowest energy' _pdbx_nmr_ensemble.representative_conformer ? _pdbx_nmr_ensemble.average_constraints_per_residue ? _pdbx_nmr_ensemble.average_constraint_violations_per_residue ? _pdbx_nmr_ensemble.maximum_distance_constraint_violation ? _pdbx_nmr_ensemble.average_distance_constraint_violation ? _pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation ? _pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ? _pdbx_nmr_ensemble.distance_constraint_violation_method ? _pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ? _pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ? _pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ? # _pdbx_nmr_representative.entry_id 6QM1 _pdbx_nmr_representative.conformer_id 1 _pdbx_nmr_representative.selection_criteria 'closest to the average' # loop_ _pdbx_nmr_software.ordinal _pdbx_nmr_software.classification _pdbx_nmr_software.name _pdbx_nmr_software.version _pdbx_nmr_software.authors 1 'structure calculation' 'X-PLOR NIH' 2.45 'Schwieters, Kuszewski, Tjandra and Clore' 2 refinement 'X-PLOR NIH' 2.45 'Schwieters, Kuszewski, Tjandra and Clore' 3 'chemical shift assignment' CcpNMR ? CCPN 4 'peak picking' CcpNMR ? CCPN # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 6QM1 _exptl.crystals_number ? _exptl.details ? _exptl.method 'SOLUTION NMR' _exptl.method_details ? # _struct.entry_id 6QM1 _struct.title 'Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Nisin Ring B (Lan8,11) analogue' _struct.pdbx_descriptor DAL-PRO-GLY-CYS-LYS _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 6QM1 _struct_keywords.text 'PEPTIDE ANTIBIOTIC, LANTIBIOTIC, ANTIMICROBIAL, BACTERIOCIN, THIOESTER, ANTIBIOTIC' _struct_keywords.pdbx_keywords ANTIBIOTIC # _struct_asym.id A _struct_asym.pdbx_blank_PDB_chainid_flag N _struct_asym.pdbx_modified N _struct_asym.entity_id 1 _struct_asym.details ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order covale1 covale none ? A DAL 1 CB ? ? ? 1_555 A CYS 4 SG ? ? A DAL 1 A CYS 4 1_555 ? ? ? ? ? ? ? 1.813 ? covale2 covale both ? A DAL 1 C ? ? ? 1_555 A PRO 2 N ? ? A DAL 1 A PRO 2 1_555 ? ? ? ? ? ? ? 1.308 ? # _struct_conn_type.id covale _struct_conn_type.criteria ? _struct_conn_type.reference ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 1 -0.38 2 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 2 -0.38 3 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 3 -0.23 4 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 4 -0.28 5 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 5 -0.14 6 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 6 -0.39 7 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 7 -0.22 8 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 8 -0.36 9 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 9 -0.30 10 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 10 -0.37 11 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 11 -0.16 12 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 12 -0.25 13 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 13 -0.32 14 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 14 -0.34 15 DAL 1 A . ? DAL 1 A PRO 2 A ? PRO 2 A 15 -0.27 # _atom_sites.entry_id 6QM1 _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 HETATM 1 N N . DAL A 1 1 ? 10.148 3.587 3.482 1.00 0.00 1 1 DAL A N 1 HETATM 2 C CA . DAL A 1 1 ? 9.334 4.149 4.596 1.00 0.00 ? 1 DAL A CA 1 HETATM 3 C CB . DAL A 1 1 ? 9.994 5.430 5.108 1.00 0.00 ? 1 DAL A CB 1 HETATM 4 C C . DAL A 1 1 ? 9.242 3.118 5.722 1.00 0.00 ? 1 DAL A C 1 HETATM 5 O O . DAL A 1 1 ? 10.072 3.107 6.630 1.00 0.00 ? 1 DAL A O 1 HETATM 6 H H1 . DAL A 1 1 ? 9.576 3.557 2.614 1.00 0.00 ? 1 DAL A H1 1 HETATM 7 H H2 . DAL A 1 1 ? 10.456 2.624 3.729 1.00 0.00 ? 1 DAL A H2 1 HETATM 8 H H3 . DAL A 1 1 ? 10.981 4.188 3.324 1.00 0.00 ? 1 DAL A H3 1 HETATM 9 H HA . DAL A 1 1 ? 8.345 4.378 4.234 1.00 0.00 ? 1 DAL A HA 1 HETATM 10 H HB1 . DAL A 1 1 ? 10.294 6.041 4.270 1.00 0.00 ? 1 DAL A HB1 1 HETATM 11 H HB2 . DAL A 1 1 ? 10.863 5.176 5.697 1.00 0.00 ? 1 DAL A HB2 1 ATOM 12 N N . PRO A 1 2 ? 8.259 2.256 5.672 1.00 0.00 ? 2 PRO A N 1 ATOM 13 C CA . PRO A 1 2 ? 7.240 2.243 4.588 1.00 0.00 ? 2 PRO A CA 1 ATOM 14 C C . PRO A 1 2 ? 6.111 3.232 4.854 1.00 0.00 ? 2 PRO A C 1 ATOM 15 O O . PRO A 1 2 ? 5.751 4.016 3.977 1.00 0.00 ? 2 PRO A O 1 ATOM 16 C CB . PRO A 1 2 ? 6.740 0.801 4.605 1.00 0.00 ? 2 PRO A CB 1 ATOM 17 C CG . PRO A 1 2 ? 6.874 0.360 6.028 1.00 0.00 ? 2 PRO A CG 1 ATOM 18 C CD . PRO A 1 2 ? 8.012 1.184 6.650 1.00 0.00 ? 2 PRO A CD 1 ATOM 19 H HA . PRO A 1 2 ? 7.699 2.456 3.640 1.00 0.00 ? 2 PRO A HA 1 ATOM 20 H HB2 . PRO A 1 2 ? 5.706 0.757 4.287 1.00 0.00 ? 2 PRO A HB2 1 ATOM 21 H HB3 . PRO A 1 2 ? 7.355 0.183 3.968 1.00 0.00 ? 2 PRO A HB3 1 ATOM 22 H HG2 . PRO A 1 2 ? 5.949 0.543 6.559 1.00 0.00 ? 2 PRO A HG2 1 ATOM 23 H HG3 . PRO A 1 2 ? 7.123 -0.688 6.068 1.00 0.00 ? 2 PRO A HG3 1 ATOM 24 H HD2 . PRO A 1 2 ? 7.702 1.598 7.599 1.00 0.00 ? 2 PRO A HD2 1 ATOM 25 H HD3 . PRO A 1 2 ? 8.897 0.578 6.770 1.00 0.00 ? 2 PRO A HD3 1 ATOM 26 N N . GLY A 1 3 ? 5.564 3.209 6.067 1.00 0.00 ? 3 GLY A N 1 ATOM 27 C CA . GLY A 1 3 ? 4.495 4.138 6.402 1.00 0.00 ? 3 GLY A CA 1 ATOM 28 C C . GLY A 1 3 ? 4.762 5.471 5.709 1.00 0.00 ? 3 GLY A C 1 ATOM 29 O O . GLY A 1 3 ? 3.867 6.060 5.103 1.00 0.00 ? 3 GLY A O 1 ATOM 30 H H . GLY A 1 3 ? 5.891 2.577 6.741 1.00 0.00 ? 3 GLY A H 1 ATOM 31 H HA2 . GLY A 1 3 ? 3.539 3.731 6.071 1.00 0.00 ? 3 GLY A HA2 1 ATOM 32 H HA3 . GLY A 1 3 ? 4.471 4.290 7.471 1.00 0.00 ? 3 GLY A HA3 1 ATOM 33 N N . CYS A 1 4 ? 6.015 5.936 5.792 1.00 0.00 ? 4 CYS A N 1 ATOM 34 C CA . CYS A 1 4 ? 6.400 7.186 5.158 1.00 0.00 ? 4 CYS A CA 1 ATOM 35 C C . CYS A 1 4 ? 5.566 7.425 3.903 1.00 0.00 ? 4 CYS A C 1 ATOM 36 O O . CYS A 1 4 ? 5.306 6.501 3.134 1.00 0.00 ? 4 CYS A O 1 ATOM 37 C CB . CYS A 1 4 ? 7.887 7.141 4.792 1.00 0.00 ? 4 CYS A CB 1 ATOM 38 S SG . CYS A 1 4 ? 8.816 6.350 6.134 1.00 0.00 ? 4 CYS A SG 1 ATOM 39 H H . CYS A 1 4 ? 6.695 5.425 6.282 1.00 0.00 ? 4 CYS A H 1 ATOM 40 H HA . CYS A 1 4 ? 6.235 7.992 5.849 1.00 0.00 ? 4 CYS A HA 1 ATOM 41 H HB2 . CYS A 1 4 ? 8.018 6.575 3.881 1.00 0.00 ? 4 CYS A HB2 1 ATOM 42 H HB3 . CYS A 1 4 ? 8.252 8.147 4.646 1.00 0.00 ? 4 CYS A HB3 1 ATOM 43 N N . LYS A 1 5 ? 5.145 8.668 3.706 1.00 0.00 ? 5 LYS A N 1 ATOM 44 C CA . LYS A 1 5 ? 4.336 9.012 2.543 1.00 0.00 ? 5 LYS A CA 1 ATOM 45 C C . LYS A 1 5 ? 4.967 10.168 1.773 1.00 0.00 ? 5 LYS A C 1 ATOM 46 O O . LYS A 1 5 ? 4.299 10.712 0.910 1.00 0.00 ? 5 LYS A O 1 ATOM 47 C CB . LYS A 1 5 ? 2.927 9.402 2.989 1.00 0.00 ? 5 LYS A CB 1 ATOM 48 C CG . LYS A 1 5 ? 2.946 10.831 3.532 1.00 0.00 ? 5 LYS A CG 1 ATOM 49 C CD . LYS A 1 5 ? 1.657 11.106 4.309 1.00 0.00 ? 5 LYS A CD 1 ATOM 50 C CE . LYS A 1 5 ? 2.003 11.705 5.674 1.00 0.00 ? 5 LYS A CE 1 ATOM 51 N NZ . LYS A 1 5 ? 2.494 13.100 5.492 1.00 0.00 1 5 LYS A NZ 1 ATOM 52 O OXT . LYS A 1 5 ? 6.107 10.491 2.061 1.00 0.00 ? 5 LYS A OXT 1 ATOM 53 H H . LYS A 1 5 ? 5.378 9.365 4.354 1.00 0.00 ? 5 LYS A H 1 ATOM 54 H HA . LYS A 1 5 ? 4.272 8.152 1.894 1.00 0.00 ? 5 LYS A HA 1 ATOM 55 H HB2 . LYS A 1 5 ? 2.253 9.344 2.146 1.00 0.00 ? 5 LYS A HB2 1 ATOM 56 H HB3 . LYS A 1 5 ? 2.596 8.728 3.763 1.00 0.00 ? 5 LYS A HB3 1 ATOM 57 H HG2 . LYS A 1 5 ? 3.796 10.954 4.188 1.00 0.00 ? 5 LYS A HG2 1 ATOM 58 H HG3 . LYS A 1 5 ? 3.023 11.527 2.710 1.00 0.00 ? 5 LYS A HG3 1 ATOM 59 H HD2 . LYS A 1 5 ? 1.045 11.803 3.754 1.00 0.00 ? 5 LYS A HD2 1 ATOM 60 H HD3 . LYS A 1 5 ? 1.115 10.184 4.450 1.00 0.00 ? 5 LYS A HD3 1 ATOM 61 H HE2 . LYS A 1 5 ? 1.121 11.712 6.298 1.00 0.00 ? 5 LYS A HE2 1 ATOM 62 H HE3 . LYS A 1 5 ? 2.772 11.111 6.143 1.00 0.00 ? 5 LYS A HE3 1 ATOM 63 H HZ1 . LYS A 1 5 ? 2.283 13.656 6.346 1.00 0.00 ? 5 LYS A HZ1 1 ATOM 64 H HZ2 . LYS A 1 5 ? 2.020 13.530 4.672 1.00 0.00 ? 5 LYS A HZ2 1 ATOM 65 H HZ3 . LYS A 1 5 ? 3.521 13.088 5.335 1.00 0.00 ? 5 LYS A HZ3 1 HETATM 66 N N . DAL A 1 1 ? 10.196 3.488 3.638 1.00 0.00 1 1 DAL A N 2 HETATM 67 C CA . DAL A 1 1 ? 9.369 4.076 4.729 1.00 0.00 ? 1 DAL A CA 2 HETATM 68 C CB . DAL A 1 1 ? 10.082 5.306 5.294 1.00 0.00 ? 1 DAL A CB 2 HETATM 69 C C . DAL A 1 1 ? 9.167 3.036 5.829 1.00 0.00 ? 1 DAL A C 2 HETATM 70 O O . DAL A 1 1 ? 9.935 2.976 6.789 1.00 0.00 ? 1 DAL A O 2 HETATM 71 H H1 . DAL A 1 1 ? 11.202 3.566 3.883 1.00 0.00 ? 1 DAL A H1 2 HETATM 72 H H2 . DAL A 1 1 ? 10.013 3.999 2.750 1.00 0.00 ? 1 DAL A H2 2 HETATM 73 H H3 . DAL A 1 1 ? 9.947 2.485 3.517 1.00 0.00 ? 1 DAL A H3 2 HETATM 74 H HA . DAL A 1 1 ? 8.411 4.372 4.330 1.00 0.00 ? 1 DAL A HA 2 HETATM 75 H HB1 . DAL A 1 1 ? 10.478 5.897 4.482 1.00 0.00 ? 1 DAL A HB1 2 HETATM 76 H HB2 . DAL A 1 1 ? 10.892 4.988 5.936 1.00 0.00 ? 1 DAL A HB2 2 ATOM 77 N N . PRO A 1 2 ? 8.155 2.217 5.698 1.00 0.00 ? 2 PRO A N 2 ATOM 78 C CA . PRO A 1 2 ? 7.214 2.267 4.550 1.00 0.00 ? 2 PRO A CA 2 ATOM 79 C C . PRO A 1 2 ? 6.121 3.309 4.752 1.00 0.00 ? 2 PRO A C 2 ATOM 80 O O . PRO A 1 2 ? 5.853 4.114 3.859 1.00 0.00 ? 2 PRO A O 2 ATOM 81 C CB . PRO A 1 2 ? 6.645 0.852 4.509 1.00 0.00 ? 2 PRO A CB 2 ATOM 82 C CG . PRO A 1 2 ? 6.672 0.380 5.928 1.00 0.00 ? 2 PRO A CG 2 ATOM 83 C CD . PRO A 1 2 ? 7.799 1.143 6.637 1.00 0.00 ? 2 PRO A CD 2 ATOM 84 H HA . PRO A 1 2 ? 7.748 2.472 3.639 1.00 0.00 ? 2 PRO A HA 2 ATOM 85 H HB2 . PRO A 1 2 ? 5.631 0.865 4.130 1.00 0.00 ? 2 PRO A HB2 2 ATOM 86 H HB3 . PRO A 1 2 ? 7.267 0.213 3.898 1.00 0.00 ? 2 PRO A HB3 2 ATOM 87 H HG2 . PRO A 1 2 ? 5.722 0.592 6.403 1.00 0.00 ? 2 PRO A HG2 2 ATOM 88 H HG3 . PRO A 1 2 ? 6.874 -0.679 5.962 1.00 0.00 ? 2 PRO A HG3 2 ATOM 89 H HD2 . PRO A 1 2 ? 7.444 1.555 7.573 1.00 0.00 ? 2 PRO A HD2 2 ATOM 90 H HD3 . PRO A 1 2 ? 8.647 0.497 6.804 1.00 0.00 ? 2 PRO A HD3 2 ATOM 91 N N . GLY A 1 3 ? 5.501 3.310 5.929 1.00 0.00 ? 3 GLY A N 2 ATOM 92 C CA . GLY A 1 3 ? 4.460 4.289 6.202 1.00 0.00 ? 3 GLY A CA 2 ATOM 93 C C . GLY A 1 3 ? 4.840 5.611 5.542 1.00 0.00 ? 3 GLY A C 2 ATOM 94 O O . GLY A 1 3 ? 4.016 6.252 4.888 1.00 0.00 ? 3 GLY A O 2 ATOM 95 H H . GLY A 1 3 ? 5.755 2.662 6.618 1.00 0.00 ? 3 GLY A H 2 ATOM 96 H HA2 . GLY A 1 3 ? 3.509 3.933 5.805 1.00 0.00 ? 3 GLY A HA2 2 ATOM 97 H HA3 . GLY A 1 3 ? 4.374 4.435 7.268 1.00 0.00 ? 3 GLY A HA3 2 ATOM 98 N N . CYS A 1 4 ? 6.108 6.009 5.708 1.00 0.00 ? 4 CYS A N 2 ATOM 99 C CA . CYS A 1 4 ? 6.598 7.241 5.115 1.00 0.00 ? 4 CYS A CA 2 ATOM 100 C C . CYS A 1 4 ? 5.867 7.539 3.813 1.00 0.00 ? 4 CYS A C 2 ATOM 101 O O . CYS A 1 4 ? 6.142 6.928 2.779 1.00 0.00 ? 4 CYS A O 2 ATOM 102 C CB . CYS A 1 4 ? 8.103 7.126 4.848 1.00 0.00 ? 4 CYS A CB 2 ATOM 103 S SG . CYS A 1 4 ? 8.905 6.301 6.249 1.00 0.00 ? 4 CYS A SG 2 ATOM 104 H H . CYS A 1 4 ? 6.728 5.458 6.234 1.00 0.00 ? 4 CYS A H 2 ATOM 105 H HA . CYS A 1 4 ? 6.428 8.049 5.804 1.00 0.00 ? 4 CYS A HA 2 ATOM 106 H HB2 . CYS A 1 4 ? 8.265 6.549 3.949 1.00 0.00 ? 4 CYS A HB2 2 ATOM 107 H HB3 . CYS A 1 4 ? 8.523 8.113 4.723 1.00 0.00 ? 4 CYS A HB3 2 ATOM 108 N N . LYS A 1 5 ? 4.933 8.480 3.871 1.00 0.00 ? 5 LYS A N 2 ATOM 109 C CA . LYS A 1 5 ? 4.163 8.854 2.692 1.00 0.00 ? 5 LYS A CA 2 ATOM 110 C C . LYS A 1 5 ? 4.707 10.143 2.083 1.00 0.00 ? 5 LYS A C 2 ATOM 111 O O . LYS A 1 5 ? 5.058 11.031 2.841 1.00 0.00 ? 5 LYS A O 2 ATOM 112 C CB . LYS A 1 5 ? 2.693 9.046 3.069 1.00 0.00 ? 5 LYS A CB 2 ATOM 113 C CG . LYS A 1 5 ? 1.862 9.229 1.799 1.00 0.00 ? 5 LYS A CG 2 ATOM 114 C CD . LYS A 1 5 ? 0.447 9.675 2.174 1.00 0.00 ? 5 LYS A CD 2 ATOM 115 C CE . LYS A 1 5 ? -0.429 8.444 2.417 1.00 0.00 ? 5 LYS A CE 2 ATOM 116 N NZ . LYS A 1 5 ? 0.107 7.676 3.576 1.00 0.00 1 5 LYS A NZ 2 ATOM 117 O OXT . LYS A 1 5 ? 4.764 10.221 0.866 1.00 0.00 ? 5 LYS A OXT 2 ATOM 118 H H . LYS A 1 5 ? 4.759 8.931 4.723 1.00 0.00 ? 5 LYS A H 2 ATOM 119 H HA . LYS A 1 5 ? 4.234 8.063 1.961 1.00 0.00 ? 5 LYS A HA 2 ATOM 120 H HB2 . LYS A 1 5 ? 2.343 8.177 3.608 1.00 0.00 ? 5 LYS A HB2 2 ATOM 121 H HB3 . LYS A 1 5 ? 2.591 9.921 3.692 1.00 0.00 ? 5 LYS A HB3 2 ATOM 122 H HG2 . LYS A 1 5 ? 2.323 9.979 1.173 1.00 0.00 ? 5 LYS A HG2 2 ATOM 123 H HG3 . LYS A 1 5 ? 1.812 8.293 1.263 1.00 0.00 ? 5 LYS A HG3 2 ATOM 124 H HD2 . LYS A 1 5 ? 0.485 10.274 3.072 1.00 0.00 ? 5 LYS A HD2 2 ATOM 125 H HD3 . LYS A 1 5 ? 0.028 10.259 1.369 1.00 0.00 ? 5 LYS A HD3 2 ATOM 126 H HE2 . LYS A 1 5 ? -1.440 8.758 2.629 1.00 0.00 ? 5 LYS A HE2 2 ATOM 127 H HE3 . LYS A 1 5 ? -0.423 7.818 1.537 1.00 0.00 ? 5 LYS A HE3 2 ATOM 128 H HZ1 . LYS A 1 5 ? 0.671 6.874 3.231 1.00 0.00 ? 5 LYS A HZ1 2 ATOM 129 H HZ2 . LYS A 1 5 ? -0.684 7.322 4.152 1.00 0.00 ? 5 LYS A HZ2 2 ATOM 130 H HZ3 . LYS A 1 5 ? 0.708 8.295 4.155 1.00 0.00 ? 5 LYS A HZ3 2 HETATM 131 N N . DAL A 1 1 ? 10.151 3.538 3.488 1.00 0.00 1 1 DAL A N 3 HETATM 132 C CA . DAL A 1 1 ? 9.336 4.140 4.580 1.00 0.00 ? 1 DAL A CA 3 HETATM 133 C CB . DAL A 1 1 ? 9.989 5.446 5.036 1.00 0.00 ? 1 DAL A CB 3 HETATM 134 C C . DAL A 1 1 ? 9.254 3.160 5.750 1.00 0.00 ? 1 DAL A C 3 HETATM 135 O O . DAL A 1 1 ? 10.079 3.200 6.663 1.00 0.00 ? 1 DAL A O 3 HETATM 136 H H1 . DAL A 1 1 ? 9.533 3.289 2.690 1.00 0.00 ? 1 DAL A H1 3 HETATM 137 H H2 . DAL A 1 1 ? 10.625 2.682 3.841 1.00 0.00 ? 1 DAL A H2 3 HETATM 138 H H3 . DAL A 1 1 ? 10.865 4.223 3.169 1.00 0.00 ? 1 DAL A H3 3 HETATM 139 H HA . DAL A 1 1 ? 8.344 4.348 4.212 1.00 0.00 ? 1 DAL A HA 3 HETATM 140 H HB1 . DAL A 1 1 ? 10.252 6.038 4.173 1.00 0.00 ? 1 DAL A HB1 3 HETATM 141 H HB2 . DAL A 1 1 ? 10.881 5.222 5.604 1.00 0.00 ? 1 DAL A HB2 3 ATOM 142 N N . PRO A 1 2 ? 8.281 2.284 5.733 1.00 0.00 ? 2 PRO A N 3 ATOM 143 C CA . PRO A 1 2 ? 7.271 2.209 4.647 1.00 0.00 ? 2 PRO A CA 3 ATOM 144 C C . PRO A 1 2 ? 6.122 3.187 4.864 1.00 0.00 ? 2 PRO A C 3 ATOM 145 O O . PRO A 1 2 ? 5.747 3.924 3.952 1.00 0.00 ? 2 PRO A O 3 ATOM 146 C CB . PRO A 1 2 ? 6.796 0.759 4.719 1.00 0.00 ? 2 PRO A CB 3 ATOM 147 C CG . PRO A 1 2 ? 6.933 0.377 6.158 1.00 0.00 ? 2 PRO A CG 3 ATOM 148 C CD . PRO A 1 2 ? 8.042 1.256 6.757 1.00 0.00 ? 2 PRO A CD 3 ATOM 149 H HA . PRO A 1 2 ? 7.732 2.394 3.694 1.00 0.00 ? 2 PRO A HA 3 ATOM 150 H HB2 . PRO A 1 2 ? 5.765 0.685 4.401 1.00 0.00 ? 2 PRO A HB2 3 ATOM 151 H HB3 . PRO A 1 2 ? 7.425 0.128 4.109 1.00 0.00 ? 2 PRO A HB3 3 ATOM 152 H HG2 . PRO A 1 2 ? 5.999 0.552 6.676 1.00 0.00 ? 2 PRO A HG2 3 ATOM 153 H HG3 . PRO A 1 2 ? 7.213 -0.661 6.239 1.00 0.00 ? 2 PRO A HG3 3 ATOM 154 H HD2 . PRO A 1 2 ? 7.707 1.708 7.680 1.00 0.00 ? 2 PRO A HD2 3 ATOM 155 H HD3 . PRO A 1 2 ? 8.938 0.676 6.920 1.00 0.00 ? 2 PRO A HD3 3 ATOM 156 N N . GLY A 1 3 ? 5.576 3.210 6.077 1.00 0.00 ? 3 GLY A N 3 ATOM 157 C CA . GLY A 1 3 ? 4.488 4.129 6.373 1.00 0.00 ? 3 GLY A CA 3 ATOM 158 C C . GLY A 1 3 ? 4.756 5.462 5.679 1.00 0.00 ? 3 GLY A C 3 ATOM 159 O O . GLY A 1 3 ? 3.857 6.052 5.078 1.00 0.00 ? 3 GLY A O 3 ATOM 160 H H . GLY A 1 3 ? 5.917 2.615 6.778 1.00 0.00 ? 3 GLY A H 3 ATOM 161 H HA2 . GLY A 1 3 ? 3.546 3.707 6.018 1.00 0.00 ? 3 GLY A HA2 3 ATOM 162 H HA3 . GLY A 1 3 ? 4.432 4.288 7.439 1.00 0.00 ? 3 GLY A HA3 3 ATOM 163 N N . CYS A 1 4 ? 6.008 5.928 5.758 1.00 0.00 ? 4 CYS A N 3 ATOM 164 C CA . CYS A 1 4 ? 6.390 7.180 5.128 1.00 0.00 ? 4 CYS A CA 3 ATOM 165 C C . CYS A 1 4 ? 5.539 7.442 3.890 1.00 0.00 ? 4 CYS A C 3 ATOM 166 O O . CYS A 1 4 ? 5.251 6.529 3.117 1.00 0.00 ? 4 CYS A O 3 ATOM 167 C CB . CYS A 1 4 ? 7.870 7.132 4.735 1.00 0.00 ? 4 CYS A CB 3 ATOM 168 S SG . CYS A 1 4 ? 8.827 6.371 6.073 1.00 0.00 ? 4 CYS A SG 3 ATOM 169 H H . CYS A 1 4 ? 6.690 5.416 6.247 1.00 0.00 ? 4 CYS A H 3 ATOM 170 H HA . CYS A 1 4 ? 6.244 7.980 5.830 1.00 0.00 ? 4 CYS A HA 3 ATOM 171 H HB2 . CYS A 1 4 ? 7.985 6.550 3.834 1.00 0.00 ? 4 CYS A HB2 3 ATOM 172 H HB3 . CYS A 1 4 ? 8.229 8.136 4.563 1.00 0.00 ? 4 CYS A HB3 3 ATOM 173 N N . LYS A 1 5 ? 5.139 8.698 3.709 1.00 0.00 ? 5 LYS A N 3 ATOM 174 C CA . LYS A 1 5 ? 4.320 9.069 2.560 1.00 0.00 ? 5 LYS A CA 3 ATOM 175 C C . LYS A 1 5 ? 5.076 8.822 1.259 1.00 0.00 ? 5 LYS A C 3 ATOM 176 O O . LYS A 1 5 ? 5.571 9.782 0.693 1.00 0.00 ? 5 LYS A O 3 ATOM 177 C CB . LYS A 1 5 ? 3.932 10.546 2.653 1.00 0.00 ? 5 LYS A CB 3 ATOM 178 C CG . LYS A 1 5 ? 5.038 11.322 3.370 1.00 0.00 ? 5 LYS A CG 3 ATOM 179 C CD . LYS A 1 5 ? 4.687 11.460 4.853 1.00 0.00 ? 5 LYS A CD 3 ATOM 180 C CE . LYS A 1 5 ? 3.934 12.774 5.079 1.00 0.00 ? 5 LYS A CE 3 ATOM 181 N NZ . LYS A 1 5 ? 2.650 12.747 4.323 1.00 0.00 1 5 LYS A NZ 3 ATOM 182 O OXT . LYS A 1 5 ? 5.150 7.675 0.850 1.00 0.00 ? 5 LYS A OXT 3 ATOM 183 H H . LYS A 1 5 ? 5.398 9.384 4.357 1.00 0.00 ? 5 LYS A H 3 ATOM 184 H HA . LYS A 1 5 ? 3.421 8.473 2.563 1.00 0.00 ? 5 LYS A HA 3 ATOM 185 H HB2 . LYS A 1 5 ? 3.797 10.946 1.658 1.00 0.00 ? 5 LYS A HB2 3 ATOM 186 H HB3 . LYS A 1 5 ? 3.010 10.643 3.207 1.00 0.00 ? 5 LYS A HB3 3 ATOM 187 H HG2 . LYS A 1 5 ? 5.973 10.790 3.269 1.00 0.00 ? 5 LYS A HG2 3 ATOM 188 H HG3 . LYS A 1 5 ? 5.133 12.303 2.931 1.00 0.00 ? 5 LYS A HG3 3 ATOM 189 H HD2 . LYS A 1 5 ? 4.064 10.631 5.154 1.00 0.00 ? 5 LYS A HD2 3 ATOM 190 H HD3 . LYS A 1 5 ? 5.593 11.462 5.439 1.00 0.00 ? 5 LYS A HD3 3 ATOM 191 H HE2 . LYS A 1 5 ? 3.730 12.894 6.132 1.00 0.00 ? 5 LYS A HE2 3 ATOM 192 H HE3 . LYS A 1 5 ? 4.539 13.599 4.732 1.00 0.00 ? 5 LYS A HE3 3 ATOM 193 H HZ1 . LYS A 1 5 ? 1.978 13.408 4.758 1.00 0.00 ? 5 LYS A HZ1 3 ATOM 194 H HZ2 . LYS A 1 5 ? 2.255 11.784 4.346 1.00 0.00 ? 5 LYS A HZ2 3 ATOM 195 H HZ3 . LYS A 1 5 ? 2.822 13.028 3.337 1.00 0.00 ? 5 LYS A HZ3 3 HETATM 196 N N . DAL A 1 1 ? 10.228 3.502 3.656 1.00 0.00 1 1 DAL A N 4 HETATM 197 C CA . DAL A 1 1 ? 9.372 4.065 4.738 1.00 0.00 ? 1 DAL A CA 4 HETATM 198 C CB . DAL A 1 1 ? 10.071 5.276 5.356 1.00 0.00 ? 1 DAL A CB 4 HETATM 199 C C . DAL A 1 1 ? 9.135 2.996 5.803 1.00 0.00 ? 1 DAL A C 4 HETATM 200 O O . DAL A 1 1 ? 9.892 2.892 6.769 1.00 0.00 ? 1 DAL A O 4 HETATM 201 H H1 . DAL A 1 1 ? 10.780 2.705 4.030 1.00 0.00 ? 1 DAL A H1 4 HETATM 202 H H2 . DAL A 1 1 ? 10.874 4.240 3.306 1.00 0.00 ? 1 DAL A H2 4 HETATM 203 H H3 . DAL A 1 1 ? 9.627 3.168 2.875 1.00 0.00 ? 1 DAL A H3 4 HETATM 204 H HA . DAL A 1 1 ? 8.427 4.374 4.320 1.00 0.00 ? 1 DAL A HA 4 HETATM 205 H HB1 . DAL A 1 1 ? 10.465 5.904 4.570 1.00 0.00 ? 1 DAL A HB1 4 HETATM 206 H HB2 . DAL A 1 1 ? 10.881 4.939 5.988 1.00 0.00 ? 1 DAL A HB2 4 ATOM 207 N N . PRO A 1 2 ? 8.107 2.203 5.641 1.00 0.00 ? 2 PRO A N 4 ATOM 208 C CA . PRO A 1 2 ? 7.176 2.304 4.487 1.00 0.00 ? 2 PRO A CA 4 ATOM 209 C C . PRO A 1 2 ? 6.103 3.363 4.708 1.00 0.00 ? 2 PRO A C 4 ATOM 210 O O . PRO A 1 2 ? 5.857 4.193 3.835 1.00 0.00 ? 2 PRO A O 4 ATOM 211 C CB . PRO A 1 2 ? 6.575 0.901 4.407 1.00 0.00 ? 2 PRO A CB 4 ATOM 212 C CG . PRO A 1 2 ? 6.583 0.392 5.814 1.00 0.00 ? 2 PRO A CG 4 ATOM 213 C CD . PRO A 1 2 ? 7.722 1.111 6.549 1.00 0.00 ? 2 PRO A CD 4 ATOM 214 H HA . PRO A 1 2 ? 7.720 2.518 3.586 1.00 0.00 ? 2 PRO A HA 4 ATOM 215 H HB2 . PRO A 1 2 ? 5.564 0.947 4.025 1.00 0.00 ? 2 PRO A HB2 4 ATOM 216 H HB3 . PRO A 1 2 ? 7.186 0.266 3.782 1.00 0.00 ? 2 PRO A HB3 4 ATOM 217 H HG2 . PRO A 1 2 ? 5.636 0.610 6.289 1.00 0.00 ? 2 PRO A HG2 4 ATOM 218 H HG3 . PRO A 1 2 ? 6.764 -0.672 5.820 1.00 0.00 ? 2 PRO A HG3 4 ATOM 219 H HD2 . PRO A 1 2 ? 7.372 1.505 7.493 1.00 0.00 ? 2 PRO A HD2 4 ATOM 220 H HD3 . PRO A 1 2 ? 8.556 0.443 6.701 1.00 0.00 ? 2 PRO A HD3 4 ATOM 221 N N . GLY A 1 3 ? 5.477 3.349 5.882 1.00 0.00 ? 3 GLY A N 4 ATOM 222 C CA . GLY A 1 3 ? 4.455 4.341 6.176 1.00 0.00 ? 3 GLY A CA 4 ATOM 223 C C . GLY A 1 3 ? 4.861 5.675 5.554 1.00 0.00 ? 3 GLY A C 4 ATOM 224 O O . GLY A 1 3 ? 4.053 6.342 4.907 1.00 0.00 ? 3 GLY A O 4 ATOM 225 H H . GLY A 1 3 ? 5.715 2.678 6.556 1.00 0.00 ? 3 GLY A H 4 ATOM 226 H HA2 . GLY A 1 3 ? 3.498 4.015 5.765 1.00 0.00 ? 3 GLY A HA2 4 ATOM 227 H HA3 . GLY A 1 3 ? 4.366 4.460 7.245 1.00 0.00 ? 3 GLY A HA3 4 ATOM 228 N N . CYS A 1 4 ? 6.132 6.051 5.745 1.00 0.00 ? 4 CYS A N 4 ATOM 229 C CA . CYS A 1 4 ? 6.645 7.293 5.190 1.00 0.00 ? 4 CYS A CA 4 ATOM 230 C C . CYS A 1 4 ? 5.973 7.604 3.855 1.00 0.00 ? 4 CYS A C 4 ATOM 231 O O . CYS A 1 4 ? 6.434 7.166 2.800 1.00 0.00 ? 4 CYS A O 4 ATOM 232 C CB . CYS A 1 4 ? 8.160 7.186 4.991 1.00 0.00 ? 4 CYS A CB 4 ATOM 233 S SG . CYS A 1 4 ? 8.881 6.221 6.344 1.00 0.00 ? 4 CYS A SG 4 ATOM 234 H H . CYS A 1 4 ? 6.738 5.480 6.264 1.00 0.00 ? 4 CYS A H 4 ATOM 235 H HA . CYS A 1 4 ? 6.440 8.091 5.879 1.00 0.00 ? 4 CYS A HA 4 ATOM 236 H HB2 . CYS A 1 4 ? 8.364 6.695 4.050 1.00 0.00 ? 4 CYS A HB2 4 ATOM 237 H HB3 . CYS A 1 4 ? 8.592 8.175 4.982 1.00 0.00 ? 4 CYS A HB3 4 ATOM 238 N N . LYS A 1 5 ? 4.883 8.362 3.908 1.00 0.00 ? 5 LYS A N 4 ATOM 239 C CA . LYS A 1 5 ? 4.158 8.724 2.696 1.00 0.00 ? 5 LYS A CA 4 ATOM 240 C C . LYS A 1 5 ? 4.294 10.218 2.415 1.00 0.00 ? 5 LYS A C 4 ATOM 241 O O . LYS A 1 5 ? 4.741 10.559 1.332 1.00 0.00 ? 5 LYS A O 4 ATOM 242 C CB . LYS A 1 5 ? 2.678 8.365 2.846 1.00 0.00 ? 5 LYS A CB 4 ATOM 243 C CG . LYS A 1 5 ? 2.164 8.870 4.195 1.00 0.00 ? 5 LYS A CG 4 ATOM 244 C CD . LYS A 1 5 ? 0.763 8.311 4.450 1.00 0.00 ? 5 LYS A CD 4 ATOM 245 C CE . LYS A 1 5 ? 0.166 8.976 5.692 1.00 0.00 ? 5 LYS A CE 4 ATOM 246 N NZ . LYS A 1 5 ? -1.234 9.401 5.403 1.00 0.00 1 5 LYS A NZ 4 ATOM 247 O OXT . LYS A 1 5 ? 3.949 10.998 3.287 1.00 0.00 ? 5 LYS A OXT 4 ATOM 248 H H . LYS A 1 5 ? 4.561 8.684 4.777 1.00 0.00 ? 5 LYS A H 4 ATOM 249 H HA . LYS A 1 5 ? 4.567 8.173 1.864 1.00 0.00 ? 5 LYS A HA 4 ATOM 250 H HB2 . LYS A 1 5 ? 2.113 8.826 2.049 1.00 0.00 ? 5 LYS A HB2 4 ATOM 251 H HB3 . LYS A 1 5 ? 2.561 7.293 2.798 1.00 0.00 ? 5 LYS A HB3 4 ATOM 252 H HG2 . LYS A 1 5 ? 2.831 8.544 4.980 1.00 0.00 ? 5 LYS A HG2 4 ATOM 253 H HG3 . LYS A 1 5 ? 2.122 9.949 4.184 1.00 0.00 ? 5 LYS A HG3 4 ATOM 254 H HD2 . LYS A 1 5 ? 0.134 8.512 3.595 1.00 0.00 ? 5 LYS A HD2 4 ATOM 255 H HD3 . LYS A 1 5 ? 0.824 7.244 4.609 1.00 0.00 ? 5 LYS A HD3 4 ATOM 256 H HE2 . LYS A 1 5 ? 0.166 8.272 6.511 1.00 0.00 ? 5 LYS A HE2 4 ATOM 257 H HE3 . LYS A 1 5 ? 0.757 9.839 5.958 1.00 0.00 ? 5 LYS A HE3 4 ATOM 258 H HZ1 . LYS A 1 5 ? -1.315 10.430 5.525 1.00 0.00 ? 5 LYS A HZ1 4 ATOM 259 H HZ2 . LYS A 1 5 ? -1.883 8.921 6.059 1.00 0.00 ? 5 LYS A HZ2 4 ATOM 260 H HZ3 . LYS A 1 5 ? -1.478 9.150 4.424 1.00 0.00 ? 5 LYS A HZ3 4 HETATM 261 N N . DAL A 1 1 ? 10.169 3.626 3.576 1.00 0.00 1 1 DAL A N 5 HETATM 262 C CA . DAL A 1 1 ? 9.324 4.110 4.704 1.00 0.00 ? 1 DAL A CA 5 HETATM 263 C CB . DAL A 1 1 ? 10.009 5.301 5.376 1.00 0.00 ? 1 DAL A CB 5 HETATM 264 C C . DAL A 1 1 ? 9.132 2.980 5.714 1.00 0.00 ? 1 DAL A C 5 HETATM 265 O O . DAL A 1 1 ? 9.917 2.833 6.651 1.00 0.00 ? 1 DAL A O 5 HETATM 266 H H1 . DAL A 1 1 ? 9.614 2.984 2.977 1.00 0.00 ? 1 DAL A H1 5 HETATM 267 H H2 . DAL A 1 1 ? 10.996 3.121 3.955 1.00 0.00 ? 1 DAL A H2 5 HETATM 268 H H3 . DAL A 1 1 ? 10.487 4.437 3.009 1.00 0.00 ? 1 DAL A H3 5 HETATM 269 H HA . DAL A 1 1 ? 8.365 4.421 4.322 1.00 0.00 ? 1 DAL A HA 5 HETATM 270 H HB1 . DAL A 1 1 ? 10.380 5.977 4.619 1.00 0.00 ? 1 DAL A HB1 5 HETATM 271 H HB2 . DAL A 1 1 ? 10.835 4.948 5.978 1.00 0.00 ? 1 DAL A HB2 5 ATOM 272 N N . PRO A 1 2 ? 8.108 2.183 5.538 1.00 0.00 ? 2 PRO A N 5 ATOM 273 C CA . PRO A 1 2 ? 7.143 2.335 4.417 1.00 0.00 ? 2 PRO A CA 5 ATOM 274 C C . PRO A 1 2 ? 6.082 3.389 4.712 1.00 0.00 ? 2 PRO A C 5 ATOM 275 O O . PRO A 1 2 ? 5.815 4.254 3.879 1.00 0.00 ? 2 PRO A O 5 ATOM 276 C CB . PRO A 1 2 ? 6.534 0.941 4.293 1.00 0.00 ? 2 PRO A CB 5 ATOM 277 C CG . PRO A 1 2 ? 6.584 0.370 5.674 1.00 0.00 ? 2 PRO A CG 5 ATOM 278 C CD . PRO A 1 2 ? 7.762 1.039 6.395 1.00 0.00 ? 2 PRO A CD 5 ATOM 279 H HA . PRO A 1 2 ? 7.663 2.588 3.510 1.00 0.00 ? 2 PRO A HA 5 ATOM 280 H HB2 . PRO A 1 2 ? 5.512 1.006 3.944 1.00 0.00 ? 2 PRO A HB2 5 ATOM 281 H HB3 . PRO A 1 2 ? 7.122 0.332 3.621 1.00 0.00 ? 2 PRO A HB3 5 ATOM 282 H HG2 . PRO A 1 2 ? 5.659 0.583 6.193 1.00 0.00 ? 2 PRO A HG2 5 ATOM 283 H HG3 . PRO A 1 2 ? 6.747 -0.696 5.628 1.00 0.00 ? 2 PRO A HG3 5 ATOM 284 H HD2 . PRO A 1 2 ? 7.460 1.376 7.377 1.00 0.00 ? 2 PRO A HD2 5 ATOM 285 H HD3 . PRO A 1 2 ? 8.597 0.361 6.465 1.00 0.00 ? 2 PRO A HD3 5 ATOM 286 N N . GLY A 1 3 ? 5.491 3.332 5.901 1.00 0.00 ? 3 GLY A N 5 ATOM 287 C CA . GLY A 1 3 ? 4.482 4.315 6.262 1.00 0.00 ? 3 GLY A CA 5 ATOM 288 C C . GLY A 1 3 ? 4.859 5.663 5.652 1.00 0.00 ? 3 GLY A C 5 ATOM 289 O O . GLY A 1 3 ? 4.031 6.328 5.029 1.00 0.00 ? 3 GLY A O 5 ATOM 290 H H . GLY A 1 3 ? 5.744 2.634 6.542 1.00 0.00 ? 3 GLY A H 5 ATOM 291 H HA2 . GLY A 1 3 ? 3.509 3.996 5.885 1.00 0.00 ? 3 GLY A HA2 5 ATOM 292 H HA3 . GLY A 1 3 ? 4.439 4.411 7.336 1.00 0.00 ? 3 GLY A HA3 5 ATOM 293 N N . CYS A 1 4 ? 6.128 6.054 5.826 1.00 0.00 ? 4 CYS A N 5 ATOM 294 C CA . CYS A 1 4 ? 6.612 7.311 5.278 1.00 0.00 ? 4 CYS A CA 5 ATOM 295 C C . CYS A 1 4 ? 6.000 7.571 3.904 1.00 0.00 ? 4 CYS A C 5 ATOM 296 O O . CYS A 1 4 ? 6.500 7.085 2.890 1.00 0.00 ? 4 CYS A O 5 ATOM 297 C CB . CYS A 1 4 ? 8.139 7.273 5.163 1.00 0.00 ? 4 CYS A CB 5 ATOM 298 S SG . CYS A 1 4 ? 8.815 6.167 6.429 1.00 0.00 ? 4 CYS A SG 5 ATOM 299 H H . CYS A 1 4 ? 6.751 5.485 6.326 1.00 0.00 ? 4 CYS A H 5 ATOM 300 H HA . CYS A 1 4 ? 6.334 8.108 5.941 1.00 0.00 ? 4 CYS A HA 5 ATOM 301 H HB2 . CYS A 1 4 ? 8.417 6.911 4.183 1.00 0.00 ? 4 CYS A HB2 5 ATOM 302 H HB3 . CYS A 1 4 ? 8.535 8.267 5.304 1.00 0.00 ? 4 CYS A HB3 5 ATOM 303 N N . LYS A 1 5 ? 4.916 8.339 3.881 1.00 0.00 ? 5 LYS A N 5 ATOM 304 C CA . LYS A 1 5 ? 4.244 8.656 2.626 1.00 0.00 ? 5 LYS A CA 5 ATOM 305 C C . LYS A 1 5 ? 5.182 9.415 1.692 1.00 0.00 ? 5 LYS A C 5 ATOM 306 O O . LYS A 1 5 ? 4.684 10.096 0.811 1.00 0.00 ? 5 LYS A O 5 ATOM 307 C CB . LYS A 1 5 ? 2.999 9.502 2.898 1.00 0.00 ? 5 LYS A CB 5 ATOM 308 C CG . LYS A 1 5 ? 1.755 8.614 2.835 1.00 0.00 ? 5 LYS A CG 5 ATOM 309 C CD . LYS A 1 5 ? 1.256 8.537 1.390 1.00 0.00 ? 5 LYS A CD 5 ATOM 310 C CE . LYS A 1 5 ? 0.686 7.144 1.121 1.00 0.00 ? 5 LYS A CE 5 ATOM 311 N NZ . LYS A 1 5 ? -0.076 6.680 2.315 1.00 0.00 1 5 LYS A NZ 5 ATOM 312 O OXT . LYS A 1 5 ? 6.383 9.305 1.874 1.00 0.00 ? 5 LYS A OXT 5 ATOM 313 H H . LYS A 1 5 ? 4.562 8.699 4.721 1.00 0.00 ? 5 LYS A H 5 ATOM 314 H HA . LYS A 1 5 ? 3.943 7.737 2.147 1.00 0.00 ? 5 LYS A HA 5 ATOM 315 H HB2 . LYS A 1 5 ? 3.074 9.948 3.879 1.00 0.00 ? 5 LYS A HB2 5 ATOM 316 H HB3 . LYS A 1 5 ? 2.922 10.280 2.154 1.00 0.00 ? 5 LYS A HB3 5 ATOM 317 H HG2 . LYS A 1 5 ? 2.002 7.622 3.184 1.00 0.00 ? 5 LYS A HG2 5 ATOM 318 H HG3 . LYS A 1 5 ? 0.980 9.034 3.459 1.00 0.00 ? 5 LYS A HG3 5 ATOM 319 H HD2 . LYS A 1 5 ? 0.484 9.278 1.236 1.00 0.00 ? 5 LYS A HD2 5 ATOM 320 H HD3 . LYS A 1 5 ? 2.076 8.725 0.715 1.00 0.00 ? 5 LYS A HD3 5 ATOM 321 H HE2 . LYS A 1 5 ? 0.027 7.183 0.267 1.00 0.00 ? 5 LYS A HE2 5 ATOM 322 H HE3 . LYS A 1 5 ? 1.495 6.457 0.920 1.00 0.00 ? 5 LYS A HE3 5 ATOM 323 H HZ1 . LYS A 1 5 ? -0.547 5.778 2.098 1.00 0.00 ? 5 LYS A HZ1 5 ATOM 324 H HZ2 . LYS A 1 5 ? -0.791 7.393 2.568 1.00 0.00 ? 5 LYS A HZ2 5 ATOM 325 H HZ3 . LYS A 1 5 ? 0.577 6.544 3.113 1.00 0.00 ? 5 LYS A HZ3 5 HETATM 326 N N . DAL A 1 1 ? 10.258 3.516 3.661 1.00 0.00 1 1 DAL A N 6 HETATM 327 C CA . DAL A 1 1 ? 9.375 4.065 4.728 1.00 0.00 ? 1 DAL A CA 6 HETATM 328 C CB . DAL A 1 1 ? 10.056 5.271 5.376 1.00 0.00 ? 1 DAL A CB 6 HETATM 329 C C . DAL A 1 1 ? 9.117 2.983 5.777 1.00 0.00 ? 1 DAL A C 6 HETATM 330 O O . DAL A 1 1 ? 9.869 2.855 6.744 1.00 0.00 ? 1 DAL A O 6 HETATM 331 H H1 . DAL A 1 1 ? 11.189 3.290 4.063 1.00 0.00 ? 1 DAL A H1 6 HETATM 332 H H2 . DAL A 1 1 ? 10.368 4.225 2.906 1.00 0.00 ? 1 DAL A H2 6 HETATM 333 H H3 . DAL A 1 1 ? 9.833 2.653 3.269 1.00 0.00 ? 1 DAL A H3 6 HETATM 334 H HA . DAL A 1 1 ? 8.440 4.377 4.292 1.00 0.00 ? 1 DAL A HA 6 HETATM 335 H HB1 . DAL A 1 1 ? 10.432 5.928 4.607 1.00 0.00 ? 1 DAL A HB1 6 HETATM 336 H HB2 . DAL A 1 1 ? 10.877 4.932 5.993 1.00 0.00 ? 1 DAL A HB2 6 ATOM 337 N N . PRO A 1 2 ? 8.078 2.206 5.601 1.00 0.00 ? 2 PRO A N 6 ATOM 338 C CA . PRO A 1 2 ? 7.147 2.332 4.449 1.00 0.00 ? 2 PRO A CA 6 ATOM 339 C C . PRO A 1 2 ? 6.086 3.399 4.684 1.00 0.00 ? 2 PRO A C 6 ATOM 340 O O . PRO A 1 2 ? 5.848 4.244 3.821 1.00 0.00 ? 2 PRO A O 6 ATOM 341 C CB . PRO A 1 2 ? 6.530 0.938 4.350 1.00 0.00 ? 2 PRO A CB 6 ATOM 342 C CG . PRO A 1 2 ? 6.523 0.418 5.752 1.00 0.00 ? 2 PRO A CG 6 ATOM 343 C CD . PRO A 1 2 ? 7.677 1.106 6.495 1.00 0.00 ? 2 PRO A CD 6 ATOM 344 H HA . PRO A 1 2 ? 7.694 2.551 3.548 1.00 0.00 ? 2 PRO A HA 6 ATOM 345 H HB2 . PRO A 1 2 ? 5.523 1.001 3.961 1.00 0.00 ? 2 PRO A HB2 6 ATOM 346 H HB3 . PRO A 1 2 ? 7.138 0.301 3.724 1.00 0.00 ? 2 PRO A HB3 6 ATOM 347 H HG2 . PRO A 1 2 ? 5.580 0.654 6.227 1.00 0.00 ? 2 PRO A HG2 6 ATOM 348 H HG3 . PRO A 1 2 ? 6.679 -0.650 5.751 1.00 0.00 ? 2 PRO A HG3 6 ATOM 349 H HD2 . PRO A 1 2 ? 7.336 1.492 7.445 1.00 0.00 ? 2 PRO A HD2 6 ATOM 350 H HD3 . PRO A 1 2 ? 8.499 0.422 6.635 1.00 0.00 ? 2 PRO A HD3 6 ATOM 351 N N . GLY A 1 3 ? 5.461 3.374 5.857 1.00 0.00 ? 3 GLY A N 6 ATOM 352 C CA . GLY A 1 3 ? 4.448 4.371 6.167 1.00 0.00 ? 3 GLY A CA 6 ATOM 353 C C . GLY A 1 3 ? 4.869 5.713 5.573 1.00 0.00 ? 3 GLY A C 6 ATOM 354 O O . GLY A 1 3 ? 4.069 6.399 4.935 1.00 0.00 ? 3 GLY A O 6 ATOM 355 H H . GLY A 1 3 ? 5.693 2.692 6.521 1.00 0.00 ? 3 GLY A H 6 ATOM 356 H HA2 . GLY A 1 3 ? 3.491 4.062 5.746 1.00 0.00 ? 3 GLY A HA2 6 ATOM 357 H HA3 . GLY A 1 3 ? 4.356 4.470 7.237 1.00 0.00 ? 3 GLY A HA3 6 ATOM 358 N N . CYS A 1 4 ? 6.141 6.077 5.778 1.00 0.00 ? 4 CYS A N 6 ATOM 359 C CA . CYS A 1 4 ? 6.662 7.327 5.249 1.00 0.00 ? 4 CYS A CA 6 ATOM 360 C C . CYS A 1 4 ? 6.033 7.641 3.896 1.00 0.00 ? 4 CYS A C 6 ATOM 361 O O . CYS A 1 4 ? 6.592 7.312 2.850 1.00 0.00 ? 4 CYS A O 6 ATOM 362 C CB . CYS A 1 4 ? 8.184 7.233 5.101 1.00 0.00 ? 4 CYS A CB 6 ATOM 363 S SG . CYS A 1 4 ? 8.856 6.164 6.400 1.00 0.00 ? 4 CYS A SG 6 ATOM 364 H H . CYS A 1 4 ? 6.741 5.492 6.290 1.00 0.00 ? 4 CYS A H 6 ATOM 365 H HA . CYS A 1 4 ? 6.428 8.118 5.937 1.00 0.00 ? 4 CYS A HA 6 ATOM 366 H HB2 . CYS A 1 4 ? 8.426 6.820 4.133 1.00 0.00 ? 4 CYS A HB2 6 ATOM 367 H HB3 . CYS A 1 4 ? 8.615 8.220 5.188 1.00 0.00 ? 4 CYS A HB3 6 ATOM 368 N N . LYS A 1 5 ? 4.868 8.280 3.925 1.00 0.00 ? 5 LYS A N 6 ATOM 369 C CA . LYS A 1 5 ? 4.172 8.633 2.694 1.00 0.00 ? 5 LYS A CA 6 ATOM 370 C C . LYS A 1 5 ? 4.571 10.032 2.235 1.00 0.00 ? 5 LYS A C 6 ATOM 371 O O . LYS A 1 5 ? 5.760 10.298 2.178 1.00 0.00 ? 5 LYS A O 6 ATOM 372 C CB . LYS A 1 5 ? 2.658 8.578 2.914 1.00 0.00 ? 5 LYS A CB 6 ATOM 373 C CG . LYS A 1 5 ? 2.276 9.513 4.064 1.00 0.00 ? 5 LYS A CG 6 ATOM 374 C CD . LYS A 1 5 ? 0.762 9.745 4.055 1.00 0.00 ? 5 LYS A CD 6 ATOM 375 C CE . LYS A 1 5 ? 0.472 11.239 3.895 1.00 0.00 ? 5 LYS A CE 6 ATOM 376 N NZ . LYS A 1 5 ? 0.908 11.963 5.122 1.00 0.00 1 5 LYS A NZ 6 ATOM 377 O OXT . LYS A 1 5 ? 3.682 10.815 1.947 1.00 0.00 ? 5 LYS A OXT 6 ATOM 378 H H . LYS A 1 5 ? 4.470 8.516 4.789 1.00 0.00 ? 5 LYS A H 6 ATOM 379 H HA . LYS A 1 5 ? 4.437 7.923 1.925 1.00 0.00 ? 5 LYS A HA 6 ATOM 380 H HB2 . LYS A 1 5 ? 2.152 8.890 2.013 1.00 0.00 ? 5 LYS A HB2 6 ATOM 381 H HB3 . LYS A 1 5 ? 2.366 7.569 3.161 1.00 0.00 ? 5 LYS A HB3 6 ATOM 382 H HG2 . LYS A 1 5 ? 2.565 9.063 5.004 1.00 0.00 ? 5 LYS A HG2 6 ATOM 383 H HG3 . LYS A 1 5 ? 2.785 10.457 3.945 1.00 0.00 ? 5 LYS A HG3 6 ATOM 384 H HD2 . LYS A 1 5 ? 0.318 9.202 3.232 1.00 0.00 ? 5 LYS A HD2 6 ATOM 385 H HD3 . LYS A 1 5 ? 0.338 9.397 4.984 1.00 0.00 ? 5 LYS A HD3 6 ATOM 386 H HE2 . LYS A 1 5 ? 1.012 11.621 3.041 1.00 0.00 ? 5 LYS A HE2 6 ATOM 387 H HE3 . LYS A 1 5 ? -0.588 11.387 3.746 1.00 0.00 ? 5 LYS A HE3 6 ATOM 388 H HZ1 . LYS A 1 5 ? 0.474 11.523 5.958 1.00 0.00 ? 5 LYS A HZ1 6 ATOM 389 H HZ2 . LYS A 1 5 ? 0.611 12.959 5.060 1.00 0.00 ? 5 LYS A HZ2 6 ATOM 390 H HZ3 . LYS A 1 5 ? 1.942 11.915 5.205 1.00 0.00 ? 5 LYS A HZ3 6 HETATM 391 N N . DAL A 1 1 ? 10.217 3.501 3.660 1.00 0.00 1 1 DAL A N 7 HETATM 392 C CA . DAL A 1 1 ? 9.370 4.062 4.751 1.00 0.00 ? 1 DAL A CA 7 HETATM 393 C CB . DAL A 1 1 ? 10.082 5.264 5.378 1.00 0.00 ? 1 DAL A CB 7 HETATM 394 C C . DAL A 1 1 ? 9.126 2.987 5.809 1.00 0.00 ? 1 DAL A C 7 HETATM 395 O O . DAL A 1 1 ? 9.878 2.874 6.777 1.00 0.00 ? 1 DAL A O 7 HETATM 396 H H1 . DAL A 1 1 ? 10.259 4.176 2.872 1.00 0.00 ? 1 DAL A H1 7 HETATM 397 H H2 . DAL A 1 1 ? 9.805 2.604 3.330 1.00 0.00 ? 1 DAL A H2 7 HETATM 398 H H3 . DAL A 1 1 ? 11.177 3.331 4.020 1.00 0.00 ? 1 DAL A H3 7 HETATM 399 H HA . DAL A 1 1 ? 8.427 4.384 4.339 1.00 0.00 ? 1 DAL A HA 7 HETATM 400 H HB1 . DAL A 1 1 ? 10.495 5.884 4.596 1.00 0.00 ? 1 DAL A HB1 7 HETATM 401 H HB2 . DAL A 1 1 ? 10.879 4.914 6.019 1.00 0.00 ? 1 DAL A HB2 7 ATOM 402 N N . PRO A 1 2 ? 8.096 2.199 5.637 1.00 0.00 ? 2 PRO A N 7 ATOM 403 C CA . PRO A 1 2 ? 7.172 2.311 4.479 1.00 0.00 ? 2 PRO A CA 7 ATOM 404 C C . PRO A 1 2 ? 6.105 3.376 4.702 1.00 0.00 ? 2 PRO A C 7 ATOM 405 O O . PRO A 1 2 ? 5.870 4.215 3.833 1.00 0.00 ? 2 PRO A O 7 ATOM 406 C CB . PRO A 1 2 ? 6.564 0.914 4.384 1.00 0.00 ? 2 PRO A CB 7 ATOM 407 C CG . PRO A 1 2 ? 6.562 0.394 5.786 1.00 0.00 ? 2 PRO A CG 7 ATOM 408 C CD . PRO A 1 2 ? 7.701 1.103 6.535 1.00 0.00 ? 2 PRO A CD 7 ATOM 409 H HA . PRO A 1 2 ? 7.722 2.531 3.582 1.00 0.00 ? 2 PRO A HA 7 ATOM 410 H HB2 . PRO A 1 2 ? 5.555 0.968 3.997 1.00 0.00 ? 2 PRO A HB2 7 ATOM 411 H HB3 . PRO A 1 2 ? 7.175 0.280 3.757 1.00 0.00 ? 2 PRO A HB3 7 ATOM 412 H HG2 . PRO A 1 2 ? 5.614 0.613 6.258 1.00 0.00 ? 2 PRO A HG2 7 ATOM 413 H HG3 . PRO A 1 2 ? 6.739 -0.671 5.786 1.00 0.00 ? 2 PRO A HG3 7 ATOM 414 H HD2 . PRO A 1 2 ? 7.346 1.493 7.479 1.00 0.00 ? 2 PRO A HD2 7 ATOM 415 H HD3 . PRO A 1 2 ? 8.530 0.430 6.689 1.00 0.00 ? 2 PRO A HD3 7 ATOM 416 N N . GLY A 1 3 ? 5.471 3.356 5.871 1.00 0.00 ? 3 GLY A N 7 ATOM 417 C CA . GLY A 1 3 ? 4.454 4.354 6.163 1.00 0.00 ? 3 GLY A CA 7 ATOM 418 C C . GLY A 1 3 ? 4.871 5.683 5.541 1.00 0.00 ? 3 GLY A C 7 ATOM 419 O O . GLY A 1 3 ? 4.072 6.350 4.882 1.00 0.00 ? 3 GLY A O 7 ATOM 420 H H . GLY A 1 3 ? 5.699 2.680 6.542 1.00 0.00 ? 3 GLY A H 7 ATOM 421 H HA2 . GLY A 1 3 ? 3.497 4.032 5.751 1.00 0.00 ? 3 GLY A HA2 7 ATOM 422 H HA3 . GLY A 1 3 ? 4.364 4.475 7.233 1.00 0.00 ? 3 GLY A HA3 7 ATOM 423 N N . CYS A 1 4 ? 6.141 6.057 5.743 1.00 0.00 ? 4 CYS A N 7 ATOM 424 C CA . CYS A 1 4 ? 6.661 7.295 5.186 1.00 0.00 ? 4 CYS A CA 7 ATOM 425 C C . CYS A 1 4 ? 5.988 7.611 3.855 1.00 0.00 ? 4 CYS A C 7 ATOM 426 O O . CYS A 1 4 ? 6.462 7.199 2.795 1.00 0.00 ? 4 CYS A O 7 ATOM 427 C CB . CYS A 1 4 ? 8.176 7.174 4.983 1.00 0.00 ? 4 CYS A CB 7 ATOM 428 S SG . CYS A 1 4 ? 8.896 6.228 6.351 1.00 0.00 ? 4 CYS A SG 7 ATOM 429 H H . CYS A 1 4 ? 6.741 5.486 6.270 1.00 0.00 ? 4 CYS A H 7 ATOM 430 H HA . CYS A 1 4 ? 6.467 8.094 5.876 1.00 0.00 ? 4 CYS A HA 7 ATOM 431 H HB2 . CYS A 1 4 ? 8.375 6.665 4.051 1.00 0.00 ? 4 CYS A HB2 7 ATOM 432 H HB3 . CYS A 1 4 ? 8.615 8.159 4.956 1.00 0.00 ? 4 CYS A HB3 7 ATOM 433 N N . LYS A 1 5 ? 4.880 8.343 3.916 1.00 0.00 ? 5 LYS A N 7 ATOM 434 C CA . LYS A 1 5 ? 4.148 8.706 2.708 1.00 0.00 ? 5 LYS A CA 7 ATOM 435 C C . LYS A 1 5 ? 4.223 10.211 2.466 1.00 0.00 ? 5 LYS A C 7 ATOM 436 O O . LYS A 1 5 ? 3.990 10.622 1.342 1.00 0.00 ? 5 LYS A O 7 ATOM 437 C CB . LYS A 1 5 ? 2.684 8.280 2.837 1.00 0.00 ? 5 LYS A CB 7 ATOM 438 C CG . LYS A 1 5 ? 2.125 8.772 4.175 1.00 0.00 ? 5 LYS A CG 7 ATOM 439 C CD . LYS A 1 5 ? 0.797 8.070 4.468 1.00 0.00 ? 5 LYS A CD 7 ATOM 440 C CE . LYS A 1 5 ? -0.352 9.068 4.316 1.00 0.00 ? 5 LYS A CE 7 ATOM 441 N NZ . LYS A 1 5 ? -0.172 9.846 3.057 1.00 0.00 1 5 LYS A NZ 7 ATOM 442 O OXT . LYS A 1 5 ? 4.511 10.928 3.409 1.00 0.00 ? 5 LYS A OXT 7 ATOM 443 H H . LYS A 1 5 ? 4.548 8.642 4.788 1.00 0.00 ? 5 LYS A H 7 ATOM 444 H HA . LYS A 1 5 ? 4.586 8.194 1.865 1.00 0.00 ? 5 LYS A HA 7 ATOM 445 H HB2 . LYS A 1 5 ? 2.112 8.709 2.027 1.00 0.00 ? 5 LYS A HB2 7 ATOM 446 H HB3 . LYS A 1 5 ? 2.618 7.203 2.795 1.00 0.00 ? 5 LYS A HB3 7 ATOM 447 H HG2 . LYS A 1 5 ? 2.832 8.549 4.962 1.00 0.00 ? 5 LYS A HG2 7 ATOM 448 H HG3 . LYS A 1 5 ? 1.964 9.839 4.127 1.00 0.00 ? 5 LYS A HG3 7 ATOM 449 H HD2 . LYS A 1 5 ? 0.660 7.253 3.775 1.00 0.00 ? 5 LYS A HD2 7 ATOM 450 H HD3 . LYS A 1 5 ? 0.807 7.687 5.478 1.00 0.00 ? 5 LYS A HD3 7 ATOM 451 H HE2 . LYS A 1 5 ? -1.290 8.534 4.277 1.00 0.00 ? 5 LYS A HE2 7 ATOM 452 H HE3 . LYS A 1 5 ? -0.357 9.743 5.159 1.00 0.00 ? 5 LYS A HE3 7 ATOM 453 H HZ1 . LYS A 1 5 ? -1.090 9.956 2.582 1.00 0.00 ? 5 LYS A HZ1 7 ATOM 454 H HZ2 . LYS A 1 5 ? 0.486 9.340 2.430 1.00 0.00 ? 5 LYS A HZ2 7 ATOM 455 H HZ3 . LYS A 1 5 ? 0.214 10.784 3.282 1.00 0.00 ? 5 LYS A HZ3 7 HETATM 456 N N . DAL A 1 1 ? 10.142 3.683 3.517 1.00 0.00 1 1 DAL A N 8 HETATM 457 C CA . DAL A 1 1 ? 9.302 4.146 4.657 1.00 0.00 ? 1 DAL A CA 8 HETATM 458 C CB . DAL A 1 1 ? 9.964 5.359 5.312 1.00 0.00 ? 1 DAL A CB 8 HETATM 459 C C . DAL A 1 1 ? 9.162 3.014 5.675 1.00 0.00 ? 1 DAL A C 8 HETATM 460 O O . DAL A 1 1 ? 9.976 2.887 6.590 1.00 0.00 ? 1 DAL A O 8 HETATM 461 H H1 . DAL A 1 1 ? 9.546 3.560 2.675 1.00 0.00 ? 1 DAL A H1 8 HETATM 462 H H2 . DAL A 1 1 ? 10.589 2.776 3.762 1.00 0.00 ? 1 DAL A H2 8 HETATM 463 H H3 . DAL A 1 1 ? 10.877 4.391 3.318 1.00 0.00 ? 1 DAL A H3 8 HETATM 464 H HA . DAL A 1 1 ? 8.328 4.426 4.292 1.00 0.00 ? 1 DAL A HA 8 HETATM 465 H HB1 . DAL A 1 1 ? 10.293 6.046 4.548 1.00 0.00 ? 1 DAL A HB1 8 HETATM 466 H HB2 . DAL A 1 1 ? 10.815 5.032 5.893 1.00 0.00 ? 1 DAL A HB2 8 ATOM 467 N N . PRO A 1 2 ? 8.155 2.191 5.527 1.00 0.00 ? 2 PRO A N 8 ATOM 468 C CA . PRO A 1 2 ? 7.155 2.315 4.433 1.00 0.00 ? 2 PRO A CA 8 ATOM 469 C C . PRO A 1 2 ? 6.076 3.341 4.757 1.00 0.00 ? 2 PRO A C 8 ATOM 470 O O . PRO A 1 2 ? 5.754 4.190 3.926 1.00 0.00 ? 2 PRO A O 8 ATOM 471 C CB . PRO A 1 2 ? 6.576 0.905 4.331 1.00 0.00 ? 2 PRO A CB 8 ATOM 472 C CG . PRO A 1 2 ? 6.682 0.339 5.710 1.00 0.00 ? 2 PRO A CG 8 ATOM 473 C CD . PRO A 1 2 ? 7.862 1.040 6.397 1.00 0.00 ? 2 PRO A CD 8 ATOM 474 H HA . PRO A 1 2 ? 7.641 2.576 3.511 1.00 0.00 ? 2 PRO A HA 8 ATOM 475 H HB2 . PRO A 1 2 ? 5.542 0.946 4.015 1.00 0.00 ? 2 PRO A HB2 8 ATOM 476 H HB3 . PRO A 1 2 ? 7.157 0.309 3.642 1.00 0.00 ? 2 PRO A HB3 8 ATOM 477 H HG2 . PRO A 1 2 ? 5.767 0.527 6.256 1.00 0.00 ? 2 PRO A HG2 8 ATOM 478 H HG3 . PRO A 1 2 ? 6.872 -0.722 5.661 1.00 0.00 ? 2 PRO A HG3 8 ATOM 479 H HD2 . PRO A 1 2 ? 7.579 1.373 7.386 1.00 0.00 ? 2 PRO A HD2 8 ATOM 480 H HD3 . PRO A 1 2 ? 8.716 0.384 6.446 1.00 0.00 ? 2 PRO A HD3 8 ATOM 481 N N . GLY A 1 3 ? 5.531 3.278 5.967 1.00 0.00 ? 3 GLY A N 8 ATOM 482 C CA . GLY A 1 3 ? 4.510 4.238 6.358 1.00 0.00 ? 3 GLY A CA 8 ATOM 483 C C . GLY A 1 3 ? 4.828 5.589 5.724 1.00 0.00 ? 3 GLY A C 8 ATOM 484 O O . GLY A 1 3 ? 3.964 6.223 5.120 1.00 0.00 ? 3 GLY A O 8 ATOM 485 H H . GLY A 1 3 ? 5.828 2.595 6.604 1.00 0.00 ? 3 GLY A H 8 ATOM 486 H HA2 . GLY A 1 3 ? 3.532 3.889 6.021 1.00 0.00 ? 3 GLY A HA2 8 ATOM 487 H HA3 . GLY A 1 3 ? 4.504 4.342 7.432 1.00 0.00 ? 3 GLY A HA3 8 ATOM 488 N N . CYS A 1 4 ? 6.090 6.017 5.856 1.00 0.00 ? 4 CYS A N 8 ATOM 489 C CA . CYS A 1 4 ? 6.523 7.281 5.283 1.00 0.00 ? 4 CYS A CA 8 ATOM 490 C C . CYS A 1 4 ? 5.896 7.492 3.908 1.00 0.00 ? 4 CYS A C 8 ATOM 491 O O . CYS A 1 4 ? 6.232 6.796 2.949 1.00 0.00 ? 4 CYS A O 8 ATOM 492 C CB . CYS A 1 4 ? 8.050 7.297 5.160 1.00 0.00 ? 4 CYS A CB 8 ATOM 493 S SG . CYS A 1 4 ? 8.770 6.185 6.398 1.00 0.00 ? 4 CYS A SG 8 ATOM 494 H H . CYS A 1 4 ? 6.744 5.471 6.344 1.00 0.00 ? 4 CYS A H 8 ATOM 495 H HA . CYS A 1 4 ? 6.217 8.080 5.933 1.00 0.00 ? 4 CYS A HA 8 ATOM 496 H HB2 . CYS A 1 4 ? 8.334 6.969 4.171 1.00 0.00 ? 4 CYS A HB2 8 ATOM 497 H HB3 . CYS A 1 4 ? 8.414 8.301 5.323 1.00 0.00 ? 4 CYS A HB3 8 ATOM 498 N N . LYS A 1 5 ? 4.984 8.454 3.820 1.00 0.00 ? 5 LYS A N 8 ATOM 499 C CA . LYS A 1 5 ? 4.316 8.748 2.556 1.00 0.00 ? 5 LYS A CA 8 ATOM 500 C C . LYS A 1 5 ? 5.307 8.680 1.398 1.00 0.00 ? 5 LYS A C 8 ATOM 501 O O . LYS A 1 5 ? 5.375 7.641 0.762 1.00 0.00 ? 5 LYS A O 8 ATOM 502 C CB . LYS A 1 5 ? 3.684 10.140 2.609 1.00 0.00 ? 5 LYS A CB 8 ATOM 503 C CG . LYS A 1 5 ? 2.218 10.021 3.029 1.00 0.00 ? 5 LYS A CG 8 ATOM 504 C CD . LYS A 1 5 ? 2.140 9.617 4.503 1.00 0.00 ? 5 LYS A CD 8 ATOM 505 C CE . LYS A 1 5 ? 1.005 8.610 4.698 1.00 0.00 ? 5 LYS A CE 8 ATOM 506 N NZ . LYS A 1 5 ? 1.319 7.357 3.955 1.00 0.00 1 5 LYS A NZ 8 ATOM 507 O OXT . LYS A 1 5 ? 5.982 9.669 1.164 1.00 0.00 ? 5 LYS A OXT 8 ATOM 508 H H . LYS A 1 5 ? 4.756 8.977 4.617 1.00 0.00 ? 5 LYS A H 8 ATOM 509 H HA . LYS A 1 5 ? 3.538 8.017 2.394 1.00 0.00 ? 5 LYS A HA 8 ATOM 510 H HB2 . LYS A 1 5 ? 4.217 10.749 3.324 1.00 0.00 ? 5 LYS A HB2 8 ATOM 511 H HB3 . LYS A 1 5 ? 3.740 10.597 1.633 1.00 0.00 ? 5 LYS A HB3 8 ATOM 512 H HG2 . LYS A 1 5 ? 1.726 10.973 2.890 1.00 0.00 ? 5 LYS A HG2 8 ATOM 513 H HG3 . LYS A 1 5 ? 1.729 9.271 2.426 1.00 0.00 ? 5 LYS A HG3 8 ATOM 514 H HD2 . LYS A 1 5 ? 3.076 9.168 4.803 1.00 0.00 ? 5 LYS A HD2 8 ATOM 515 H HD3 . LYS A 1 5 ? 1.951 10.491 5.107 1.00 0.00 ? 5 LYS A HD3 8 ATOM 516 H HE2 . LYS A 1 5 ? 0.897 8.388 5.749 1.00 0.00 ? 5 LYS A HE2 8 ATOM 517 H HE3 . LYS A 1 5 ? 0.083 9.029 4.322 1.00 0.00 ? 5 LYS A HE3 8 ATOM 518 H HZ1 . LYS A 1 5 ? 0.486 6.736 3.953 1.00 0.00 ? 5 LYS A HZ1 8 ATOM 519 H HZ2 . LYS A 1 5 ? 2.114 6.871 4.417 1.00 0.00 ? 5 LYS A HZ2 8 ATOM 520 H HZ3 . LYS A 1 5 ? 1.577 7.589 2.974 1.00 0.00 ? 5 LYS A HZ3 8 HETATM 521 N N . DAL A 1 1 ? 10.270 3.417 3.713 1.00 0.00 1 1 DAL A N 9 HETATM 522 C CA . DAL A 1 1 ? 9.403 4.039 4.754 1.00 0.00 ? 1 DAL A CA 9 HETATM 523 C CB . DAL A 1 1 ? 10.111 5.266 5.331 1.00 0.00 ? 1 DAL A CB 9 HETATM 524 C C . DAL A 1 1 ? 9.134 3.021 5.862 1.00 0.00 ? 1 DAL A C 9 HETATM 525 O O . DAL A 1 1 ? 9.870 2.954 6.847 1.00 0.00 ? 1 DAL A O 9 HETATM 526 H H1 . DAL A 1 1 ? 9.918 3.674 2.770 1.00 0.00 ? 1 DAL A H1 9 HETATM 527 H H2 . DAL A 1 1 ? 10.251 2.382 3.821 1.00 0.00 ? 1 DAL A H2 9 HETATM 528 H H3 . DAL A 1 1 ? 11.245 3.759 3.824 1.00 0.00 ? 1 DAL A H3 9 HETATM 529 H HA . DAL A 1 1 ? 8.471 4.343 4.307 1.00 0.00 ? 1 DAL A HA 9 HETATM 530 H HB1 . DAL A 1 1 ? 10.510 5.864 4.524 1.00 0.00 ? 1 DAL A HB1 9 HETATM 531 H HB2 . DAL A 1 1 ? 10.919 4.946 5.975 1.00 0.00 ? 1 DAL A HB2 9 ATOM 532 N N . PRO A 1 2 ? 8.102 2.230 5.715 1.00 0.00 ? 2 PRO A N 9 ATOM 533 C CA . PRO A 1 2 ? 7.194 2.285 4.539 1.00 0.00 ? 2 PRO A CA 9 ATOM 534 C C . PRO A 1 2 ? 6.114 3.348 4.702 1.00 0.00 ? 2 PRO A C 9 ATOM 535 O O . PRO A 1 2 ? 5.884 4.150 3.796 1.00 0.00 ? 2 PRO A O 9 ATOM 536 C CB . PRO A 1 2 ? 6.598 0.879 4.500 1.00 0.00 ? 2 PRO A CB 9 ATOM 537 C CG . PRO A 1 2 ? 6.568 0.430 5.928 1.00 0.00 ? 2 PRO A CG 9 ATOM 538 C CD . PRO A 1 2 ? 7.688 1.183 6.662 1.00 0.00 ? 2 PRO A CD 9 ATOM 539 H HA . PRO A 1 2 ? 7.755 2.468 3.641 1.00 0.00 ? 2 PRO A HA 9 ATOM 540 H HB2 . PRO A 1 2 ? 5.598 0.906 4.088 1.00 0.00 ? 2 PRO A HB2 9 ATOM 541 H HB3 . PRO A 1 2 ? 7.229 0.221 3.921 1.00 0.00 ? 2 PRO A HB3 9 ATOM 542 H HG2 . PRO A 1 2 ? 5.609 0.669 6.367 1.00 0.00 ? 2 PRO A HG2 9 ATOM 543 H HG3 . PRO A 1 2 ? 6.748 -0.631 5.985 1.00 0.00 ? 2 PRO A HG3 9 ATOM 544 H HD2 . PRO A 1 2 ? 7.311 1.622 7.575 1.00 0.00 ? 2 PRO A HD2 9 ATOM 545 H HD3 . PRO A 1 2 ? 8.515 0.522 6.870 1.00 0.00 ? 2 PRO A HD3 9 ATOM 546 N N . GLY A 1 3 ? 5.464 3.369 5.862 1.00 0.00 ? 3 GLY A N 9 ATOM 547 C CA . GLY A 1 3 ? 4.433 4.367 6.104 1.00 0.00 ? 3 GLY A CA 9 ATOM 548 C C . GLY A 1 3 ? 4.864 5.691 5.480 1.00 0.00 ? 3 GLY A C 9 ATOM 549 O O . GLY A 1 3 ? 4.075 6.363 4.818 1.00 0.00 ? 3 GLY A O 9 ATOM 550 H H . GLY A 1 3 ? 5.691 2.722 6.562 1.00 0.00 ? 3 GLY A H 9 ATOM 551 H HA2 . GLY A 1 3 ? 3.493 4.035 5.662 1.00 0.00 ? 3 GLY A HA2 9 ATOM 552 H HA3 . GLY A 1 3 ? 4.304 4.499 7.168 1.00 0.00 ? 3 GLY A HA3 9 ATOM 553 N N . CYS A 1 4 ? 6.136 6.053 5.689 1.00 0.00 ? 4 CYS A N 9 ATOM 554 C CA . CYS A 1 4 ? 6.672 7.285 5.136 1.00 0.00 ? 4 CYS A CA 9 ATOM 555 C C . CYS A 1 4 ? 5.973 7.638 3.828 1.00 0.00 ? 4 CYS A C 9 ATOM 556 O O . CYS A 1 4 ? 6.433 7.270 2.747 1.00 0.00 ? 4 CYS A O 9 ATOM 557 C CB . CYS A 1 4 ? 8.176 7.133 4.891 1.00 0.00 ? 4 CYS A CB 9 ATOM 558 S SG . CYS A 1 4 ? 8.929 6.253 6.285 1.00 0.00 ? 4 CYS A SG 9 ATOM 559 H H . CYS A 1 4 ? 6.728 5.477 6.222 1.00 0.00 ? 4 CYS A H 9 ATOM 560 H HA . CYS A 1 4 ? 6.514 8.080 5.843 1.00 0.00 ? 4 CYS A HA 9 ATOM 561 H HB2 . CYS A 1 4 ? 8.337 6.573 3.983 1.00 0.00 ? 4 CYS A HB2 9 ATOM 562 H HB3 . CYS A 1 4 ? 8.626 8.111 4.797 1.00 0.00 ? 4 CYS A HB3 9 ATOM 563 N N . LYS A 1 5 ? 4.859 8.353 3.934 1.00 0.00 ? 5 LYS A N 9 ATOM 564 C CA . LYS A 1 5 ? 4.103 8.752 2.753 1.00 0.00 ? 5 LYS A CA 9 ATOM 565 C C . LYS A 1 5 ? 4.237 10.252 2.511 1.00 0.00 ? 5 LYS A C 9 ATOM 566 O O . LYS A 1 5 ? 4.378 10.637 1.362 1.00 0.00 ? 5 LYS A O 9 ATOM 567 C CB . LYS A 1 5 ? 2.626 8.391 2.932 1.00 0.00 ? 5 LYS A CB 9 ATOM 568 C CG . LYS A 1 5 ? 1.983 9.354 3.931 1.00 0.00 ? 5 LYS A CG 9 ATOM 569 C CD . LYS A 1 5 ? 0.619 8.810 4.361 1.00 0.00 ? 5 LYS A CD 9 ATOM 570 C CE . LYS A 1 5 ? 0.279 9.322 5.761 1.00 0.00 ? 5 LYS A CE 9 ATOM 571 N NZ . LYS A 1 5 ? -0.114 10.758 5.684 1.00 0.00 1 5 LYS A NZ 9 ATOM 572 O OXT . LYS A 1 5 ? 4.196 10.993 3.480 1.00 0.00 ? 5 LYS A OXT 9 ATOM 573 H H . LYS A 1 5 ? 4.541 8.618 4.822 1.00 0.00 ? 5 LYS A H 9 ATOM 574 H HA . LYS A 1 5 ? 4.488 8.222 1.894 1.00 0.00 ? 5 LYS A HA 9 ATOM 575 H HB2 . LYS A 1 5 ? 2.119 8.466 1.980 1.00 0.00 ? 5 LYS A HB2 9 ATOM 576 H HB3 . LYS A 1 5 ? 2.545 7.382 3.305 1.00 0.00 ? 5 LYS A HB3 9 ATOM 577 H HG2 . LYS A 1 5 ? 2.622 9.454 4.796 1.00 0.00 ? 5 LYS A HG2 9 ATOM 578 H HG3 . LYS A 1 5 ? 1.852 10.321 3.467 1.00 0.00 ? 5 LYS A HG3 9 ATOM 579 H HD2 . LYS A 1 5 ? -0.137 9.139 3.662 1.00 0.00 ? 5 LYS A HD2 9 ATOM 580 H HD3 . LYS A 1 5 ? 0.651 7.730 4.373 1.00 0.00 ? 5 LYS A HD3 9 ATOM 581 H HE2 . LYS A 1 5 ? -0.541 8.747 6.166 1.00 0.00 ? 5 LYS A HE2 9 ATOM 582 H HE3 . LYS A 1 5 ? 1.142 9.219 6.403 1.00 0.00 ? 5 LYS A HE3 9 ATOM 583 H HZ1 . LYS A 1 5 ? -0.494 10.963 4.739 1.00 0.00 ? 5 LYS A HZ1 9 ATOM 584 H HZ2 . LYS A 1 5 ? 0.721 11.355 5.860 1.00 0.00 ? 5 LYS A HZ2 9 ATOM 585 H HZ3 . LYS A 1 5 ? -0.842 10.958 6.399 1.00 0.00 ? 5 LYS A HZ3 9 HETATM 586 N N . DAL A 1 1 ? 10.194 3.552 3.577 1.00 0.00 1 1 DAL A N 10 HETATM 587 C CA . DAL A 1 1 ? 9.352 4.104 4.675 1.00 0.00 ? 1 DAL A CA 10 HETATM 588 C CB . DAL A 1 1 ? 10.026 5.353 5.248 1.00 0.00 ? 1 DAL A CB 10 HETATM 589 C C . DAL A 1 1 ? 9.191 3.050 5.769 1.00 0.00 ? 1 DAL A C 10 HETATM 590 O O . DAL A 1 1 ? 9.986 2.990 6.708 1.00 0.00 ? 1 DAL A O 10 HETATM 591 H H1 . DAL A 1 1 ? 11.171 3.440 3.911 1.00 0.00 ? 1 DAL A H1 10 HETATM 592 H H2 . DAL A 1 1 ? 10.175 4.205 2.766 1.00 0.00 ? 1 DAL A H2 10 HETATM 593 H H3 . DAL A 1 1 ? 9.821 2.627 3.286 1.00 0.00 ? 1 DAL A H3 10 HETATM 594 H HA . DAL A 1 1 ? 8.383 4.372 4.284 1.00 0.00 ? 1 DAL A HA 10 HETATM 595 H HB1 . DAL A 1 1 ? 10.365 5.982 4.439 1.00 0.00 ? 1 DAL A HB1 10 HETATM 596 H HB2 . DAL A 1 1 ? 10.870 5.059 5.855 1.00 0.00 ? 1 DAL A HB2 10 ATOM 597 N N . PRO A 1 2 ? 8.186 2.218 5.660 1.00 0.00 ? 2 PRO A N 10 ATOM 598 C CA . PRO A 1 2 ? 7.210 2.263 4.540 1.00 0.00 ? 2 PRO A CA 10 ATOM 599 C C . PRO A 1 2 ? 6.110 3.288 4.780 1.00 0.00 ? 2 PRO A C 10 ATOM 600 O O . PRO A 1 2 ? 5.806 4.095 3.901 1.00 0.00 ? 2 PRO A O 10 ATOM 601 C CB . PRO A 1 2 ? 6.656 0.840 4.509 1.00 0.00 ? 2 PRO A CB 10 ATOM 602 C CG . PRO A 1 2 ? 6.728 0.364 5.926 1.00 0.00 ? 2 PRO A CG 10 ATOM 603 C CD . PRO A 1 2 ? 7.873 1.132 6.601 1.00 0.00 ? 2 PRO A CD 10 ATOM 604 H HA . PRO A 1 2 ? 7.714 2.477 3.614 1.00 0.00 ? 2 PRO A HA 10 ATOM 605 H HB2 . PRO A 1 2 ? 5.632 0.842 4.159 1.00 0.00 ? 2 PRO A HB2 10 ATOM 606 H HB3 . PRO A 1 2 ? 7.268 0.212 3.879 1.00 0.00 ? 2 PRO A HB3 10 ATOM 607 H HG2 . PRO A 1 2 ? 5.793 0.569 6.430 1.00 0.00 ? 2 PRO A HG2 10 ATOM 608 H HG3 . PRO A 1 2 ? 6.939 -0.694 5.950 1.00 0.00 ? 2 PRO A HG3 10 ATOM 609 H HD2 . PRO A 1 2 ? 7.548 1.533 7.552 1.00 0.00 ? 2 PRO A HD2 10 ATOM 610 H HD3 . PRO A 1 2 ? 8.732 0.493 6.733 1.00 0.00 ? 2 PRO A HD3 10 ATOM 611 N N . GLY A 1 3 ? 5.526 3.274 5.974 1.00 0.00 ? 3 GLY A N 10 ATOM 612 C CA . GLY A 1 3 ? 4.480 4.237 6.286 1.00 0.00 ? 3 GLY A CA 10 ATOM 613 C C . GLY A 1 3 ? 4.816 5.570 5.625 1.00 0.00 ? 3 GLY A C 10 ATOM 614 O O . GLY A 1 3 ? 3.964 6.195 4.995 1.00 0.00 ? 3 GLY A O 10 ATOM 615 H H . GLY A 1 3 ? 5.808 2.624 6.651 1.00 0.00 ? 3 GLY A H 10 ATOM 616 H HA2 . GLY A 1 3 ? 3.522 3.868 5.915 1.00 0.00 ? 3 GLY A HA2 10 ATOM 617 H HA3 . GLY A 1 3 ? 4.424 4.373 7.355 1.00 0.00 ? 3 GLY A HA3 10 ATOM 618 N N . CYS A 1 4 ? 6.079 5.994 5.764 1.00 0.00 ? 4 CYS A N 10 ATOM 619 C CA . CYS A 1 4 ? 6.527 7.242 5.167 1.00 0.00 ? 4 CYS A CA 10 ATOM 620 C C . CYS A 1 4 ? 5.806 7.497 3.848 1.00 0.00 ? 4 CYS A C 10 ATOM 621 O O . CYS A 1 4 ? 5.993 6.767 2.875 1.00 0.00 ? 4 CYS A O 10 ATOM 622 C CB . CYS A 1 4 ? 8.039 7.190 4.926 1.00 0.00 ? 4 CYS A CB 10 ATOM 623 S SG . CYS A 1 4 ? 8.836 6.266 6.266 1.00 0.00 ? 4 CYS A SG 10 ATOM 624 H H . CYS A 1 4 ? 6.723 5.455 6.273 1.00 0.00 ? 4 CYS A H 10 ATOM 625 H HA . CYS A 1 4 ? 6.311 8.047 5.846 1.00 0.00 ? 4 CYS A HA 10 ATOM 626 H HB2 . CYS A 1 4 ? 8.235 6.699 3.984 1.00 0.00 ? 4 CYS A HB2 10 ATOM 627 H HB3 . CYS A 1 4 ? 8.433 8.195 4.897 1.00 0.00 ? 4 CYS A HB3 10 ATOM 628 N N . LYS A 1 5 ? 4.982 8.538 3.824 1.00 0.00 ? 5 LYS A N 10 ATOM 629 C CA . LYS A 1 5 ? 4.235 8.882 2.618 1.00 0.00 ? 5 LYS A CA 10 ATOM 630 C C . LYS A 1 5 ? 5.108 9.689 1.661 1.00 0.00 ? 5 LYS A C 10 ATOM 631 O O . LYS A 1 5 ? 5.127 10.902 1.789 1.00 0.00 ? 5 LYS A O 10 ATOM 632 C CB . LYS A 1 5 ? 2.993 9.695 2.987 1.00 0.00 ? 5 LYS A CB 10 ATOM 633 C CG . LYS A 1 5 ? 2.023 9.715 1.803 1.00 0.00 ? 5 LYS A CG 10 ATOM 634 C CD . LYS A 1 5 ? 1.072 10.905 1.942 1.00 0.00 ? 5 LYS A CD 10 ATOM 635 C CE . LYS A 1 5 ? 0.234 11.044 0.669 1.00 0.00 ? 5 LYS A CE 10 ATOM 636 N NZ . LYS A 1 5 ? 0.476 12.382 0.059 1.00 0.00 1 5 LYS A NZ 10 ATOM 637 O OXT . LYS A 1 5 ? 5.743 9.081 0.816 1.00 0.00 ? 5 LYS A OXT 10 ATOM 638 H H . LYS A 1 5 ? 4.873 9.084 4.630 1.00 0.00 ? 5 LYS A H 10 ATOM 639 H HA . LYS A 1 5 ? 3.924 7.973 2.128 1.00 0.00 ? 5 LYS A HA 10 ATOM 640 H HB2 . LYS A 1 5 ? 2.509 9.245 3.842 1.00 0.00 ? 5 LYS A HB2 10 ATOM 641 H HB3 . LYS A 1 5 ? 3.282 10.706 3.229 1.00 0.00 ? 5 LYS A HB3 10 ATOM 642 H HG2 . LYS A 1 5 ? 2.582 9.804 0.883 1.00 0.00 ? 5 LYS A HG2 10 ATOM 643 H HG3 . LYS A 1 5 ? 1.452 8.799 1.791 1.00 0.00 ? 5 LYS A HG3 10 ATOM 644 H HD2 . LYS A 1 5 ? 0.419 10.747 2.788 1.00 0.00 ? 5 LYS A HD2 10 ATOM 645 H HD3 . LYS A 1 5 ? 1.645 11.807 2.093 1.00 0.00 ? 5 LYS A HD3 10 ATOM 646 H HE2 . LYS A 1 5 ? 0.513 10.273 -0.033 1.00 0.00 ? 5 LYS A HE2 10 ATOM 647 H HE3 . LYS A 1 5 ? -0.814 10.945 0.915 1.00 0.00 ? 5 LYS A HE3 10 ATOM 648 H HZ1 . LYS A 1 5 ? 0.711 12.267 -0.947 1.00 0.00 ? 5 LYS A HZ1 10 ATOM 649 H HZ2 . LYS A 1 5 ? 1.266 12.849 0.550 1.00 0.00 ? 5 LYS A HZ2 10 ATOM 650 H HZ3 . LYS A 1 5 ? -0.381 12.964 0.148 1.00 0.00 ? 5 LYS A HZ3 10 HETATM 651 N N . DAL A 1 1 ? 10.098 3.718 3.413 1.00 0.00 1 1 DAL A N 11 HETATM 652 C CA . DAL A 1 1 ? 9.278 4.193 4.564 1.00 0.00 ? 1 DAL A CA 11 HETATM 653 C CB . DAL A 1 1 ? 9.910 5.460 5.143 1.00 0.00 ? 1 DAL A CB 11 HETATM 654 C C . DAL A 1 1 ? 9.223 3.101 5.631 1.00 0.00 ? 1 DAL A C 11 HETATM 655 O O . DAL A 1 1 ? 10.077 3.045 6.517 1.00 0.00 ? 1 DAL A O 11 HETATM 656 H H1 . DAL A 1 1 ? 10.658 4.509 3.036 1.00 0.00 ? 1 DAL A H1 11 HETATM 657 H H2 . DAL A 1 1 ? 9.469 3.353 2.668 1.00 0.00 ? 1 DAL A H2 11 HETATM 658 H H3 . DAL A 1 1 ? 10.737 2.963 3.730 1.00 0.00 ? 1 DAL A H3 11 HETATM 659 H HA . DAL A 1 1 ? 8.281 4.419 4.222 1.00 0.00 ? 1 DAL A HA 11 HETATM 660 H HB1 . DAL A 1 1 ? 10.158 6.138 4.340 1.00 0.00 ? 1 DAL A HB1 11 HETATM 661 H HB2 . DAL A 1 1 ? 10.809 5.197 5.683 1.00 0.00 ? 1 DAL A HB2 11 ATOM 662 N N . PRO A 1 2 ? 8.242 2.236 5.561 1.00 0.00 ? 2 PRO A N 11 ATOM 663 C CA . PRO A 1 2 ? 7.195 2.274 4.506 1.00 0.00 ? 2 PRO A CA 11 ATOM 664 C C . PRO A 1 2 ? 6.083 3.259 4.839 1.00 0.00 ? 2 PRO A C 11 ATOM 665 O O . PRO A 1 2 ? 5.695 4.070 4.000 1.00 0.00 ? 2 PRO A O 11 ATOM 666 C CB . PRO A 1 2 ? 6.681 0.836 4.479 1.00 0.00 ? 2 PRO A CB 11 ATOM 667 C CG . PRO A 1 2 ? 6.857 0.335 5.877 1.00 0.00 ? 2 PRO A CG 11 ATOM 668 C CD . PRO A 1 2 ? 8.030 1.114 6.489 1.00 0.00 ? 2 PRO A CD 11 ATOM 669 H HA . PRO A 1 2 ? 7.630 2.522 3.555 1.00 0.00 ? 2 PRO A HA 11 ATOM 670 H HB2 . PRO A 1 2 ? 5.636 0.815 4.196 1.00 0.00 ? 2 PRO A HB2 11 ATOM 671 H HB3 . PRO A 1 2 ? 7.268 0.238 3.797 1.00 0.00 ? 2 PRO A HB3 11 ATOM 672 H HG2 . PRO A 1 2 ? 5.955 0.511 6.447 1.00 0.00 ? 2 PRO A HG2 11 ATOM 673 H HG3 . PRO A 1 2 ? 7.089 -0.718 5.866 1.00 0.00 ? 2 PRO A HG3 11 ATOM 674 H HD2 . PRO A 1 2 ? 7.768 1.477 7.474 1.00 0.00 ? 2 PRO A HD2 11 ATOM 675 H HD3 . PRO A 1 2 ? 8.913 0.495 6.534 1.00 0.00 ? 2 PRO A HD3 11 ATOM 676 N N . GLY A 1 3 ? 5.581 3.205 6.070 1.00 0.00 ? 3 GLY A N 11 ATOM 677 C CA . GLY A 1 3 ? 4.531 4.127 6.471 1.00 0.00 ? 3 GLY A CA 11 ATOM 678 C C . GLY A 1 3 ? 4.773 5.478 5.806 1.00 0.00 ? 3 GLY A C 11 ATOM 679 O O . GLY A 1 3 ? 3.859 6.071 5.232 1.00 0.00 ? 3 GLY A O 11 ATOM 680 H H . GLY A 1 3 ? 5.930 2.552 6.713 1.00 0.00 ? 3 GLY A H 11 ATOM 681 H HA2 . GLY A 1 3 ? 3.561 3.730 6.167 1.00 0.00 ? 3 GLY A HA2 11 ATOM 682 H HA3 . GLY A 1 3 ? 4.549 4.249 7.544 1.00 0.00 ? 3 GLY A HA3 11 ATOM 683 N N . CYS A 1 4 ? 6.021 5.957 5.878 1.00 0.00 ? 4 CYS A N 11 ATOM 684 C CA . CYS A 1 4 ? 6.379 7.228 5.269 1.00 0.00 ? 4 CYS A CA 11 ATOM 685 C C . CYS A 1 4 ? 5.651 7.409 3.941 1.00 0.00 ? 4 CYS A C 11 ATOM 686 O O . CYS A 1 4 ? 5.558 6.480 3.141 1.00 0.00 ? 4 CYS A O 11 ATOM 687 C CB . CYS A 1 4 ? 7.892 7.286 5.037 1.00 0.00 ? 4 CYS A CB 11 ATOM 688 S SG . CYS A 1 4 ? 8.735 6.258 6.269 1.00 0.00 ? 4 CYS A SG 11 ATOM 689 H H . CYS A 1 4 ? 6.716 5.443 6.345 1.00 0.00 ? 4 CYS A H 11 ATOM 690 H HA . CYS A 1 4 ? 6.098 8.023 5.935 1.00 0.00 ? 4 CYS A HA 11 ATOM 691 H HB2 . CYS A 1 4 ? 8.118 6.920 4.047 1.00 0.00 ? 4 CYS A HB2 11 ATOM 692 H HB3 . CYS A 1 4 ? 8.231 8.308 5.129 1.00 0.00 ? 4 CYS A HB3 11 ATOM 693 N N . LYS A 1 5 ? 5.138 8.615 3.713 1.00 0.00 ? 5 LYS A N 11 ATOM 694 C CA . LYS A 1 5 ? 4.422 8.907 2.477 1.00 0.00 ? 5 LYS A CA 11 ATOM 695 C C . LYS A 1 5 ? 5.072 10.077 1.745 1.00 0.00 ? 5 LYS A C 11 ATOM 696 O O . LYS A 1 5 ? 4.343 10.876 1.181 1.00 0.00 ? 5 LYS A O 11 ATOM 697 C CB . LYS A 1 5 ? 2.962 9.242 2.785 1.00 0.00 ? 5 LYS A CB 11 ATOM 698 C CG . LYS A 1 5 ? 2.247 7.990 3.297 1.00 0.00 ? 5 LYS A CG 11 ATOM 699 C CD . LYS A 1 5 ? 1.383 8.352 4.505 1.00 0.00 ? 5 LYS A CD 11 ATOM 700 C CE . LYS A 1 5 ? 0.171 9.163 4.041 1.00 0.00 ? 5 LYS A CE 11 ATOM 701 N NZ . LYS A 1 5 ? -0.678 9.507 5.217 1.00 0.00 1 5 LYS A NZ 11 ATOM 702 O OXT . LYS A 1 5 ? 6.289 10.158 1.761 1.00 0.00 ? 5 LYS A OXT 11 ATOM 703 H H . LYS A 1 5 ? 5.244 9.318 4.387 1.00 0.00 ? 5 LYS A H 11 ATOM 704 H HA . LYS A 1 5 ? 4.452 8.035 1.840 1.00 0.00 ? 5 LYS A HA 11 ATOM 705 H HB2 . LYS A 1 5 ? 2.922 10.015 3.540 1.00 0.00 ? 5 LYS A HB2 11 ATOM 706 H HB3 . LYS A 1 5 ? 2.475 9.590 1.887 1.00 0.00 ? 5 LYS A HB3 11 ATOM 707 H HG2 . LYS A 1 5 ? 1.623 7.587 2.514 1.00 0.00 ? 5 LYS A HG2 11 ATOM 708 H HG3 . LYS A 1 5 ? 2.979 7.252 3.590 1.00 0.00 ? 5 LYS A HG3 11 ATOM 709 H HD2 . LYS A 1 5 ? 1.046 7.448 4.991 1.00 0.00 ? 5 LYS A HD2 11 ATOM 710 H HD3 . LYS A 1 5 ? 1.962 8.941 5.201 1.00 0.00 ? 5 LYS A HD3 11 ATOM 711 H HE2 . LYS A 1 5 ? 0.508 10.071 3.563 1.00 0.00 ? 5 LYS A HE2 11 ATOM 712 H HE3 . LYS A 1 5 ? -0.405 8.580 3.338 1.00 0.00 ? 5 LYS A HE3 11 ATOM 713 H HZ1 . LYS A 1 5 ? -1.254 8.683 5.480 1.00 0.00 ? 5 LYS A HZ1 11 ATOM 714 H HZ2 . LYS A 1 5 ? -1.301 10.304 4.973 1.00 0.00 ? 5 LYS A HZ2 11 ATOM 715 H HZ3 . LYS A 1 5 ? -0.070 9.772 6.018 1.00 0.00 ? 5 LYS A HZ3 11 HETATM 716 N N . DAL A 1 1 ? 10.181 3.551 3.570 1.00 0.00 1 1 DAL A N 12 HETATM 717 C CA . DAL A 1 1 ? 9.348 4.108 4.674 1.00 0.00 ? 1 DAL A CA 12 HETATM 718 C CB . DAL A 1 1 ? 10.026 5.356 5.239 1.00 0.00 ? 1 DAL A CB 12 HETATM 719 C C . DAL A 1 1 ? 9.193 3.055 5.771 1.00 0.00 ? 1 DAL A C 12 HETATM 720 O O . DAL A 1 1 ? 9.989 3.003 6.710 1.00 0.00 ? 1 DAL A O 12 HETATM 721 H H1 . DAL A 1 1 ? 10.668 2.695 3.901 1.00 0.00 ? 1 DAL A H1 12 HETATM 722 H H2 . DAL A 1 1 ? 10.884 4.260 3.276 1.00 0.00 ? 1 DAL A H2 12 HETATM 723 H H3 . DAL A 1 1 ? 9.571 3.310 2.763 1.00 0.00 ? 1 DAL A H3 12 HETATM 724 H HA . DAL A 1 1 ? 8.377 4.374 4.288 1.00 0.00 ? 1 DAL A HA 12 HETATM 725 H HB1 . DAL A 1 1 ? 10.367 5.980 4.425 1.00 0.00 ? 1 DAL A HB1 12 HETATM 726 H HB2 . DAL A 1 1 ? 10.870 5.062 5.846 1.00 0.00 ? 1 DAL A HB2 12 ATOM 727 N N . PRO A 1 2 ? 8.192 2.220 5.666 1.00 0.00 ? 2 PRO A N 12 ATOM 728 C CA . PRO A 1 2 ? 7.215 2.258 4.546 1.00 0.00 ? 2 PRO A CA 12 ATOM 729 C C . PRO A 1 2 ? 6.112 3.282 4.784 1.00 0.00 ? 2 PRO A C 12 ATOM 730 O O . PRO A 1 2 ? 5.802 4.083 3.903 1.00 0.00 ? 2 PRO A O 12 ATOM 731 C CB . PRO A 1 2 ? 6.667 0.834 4.518 1.00 0.00 ? 2 PRO A CB 12 ATOM 732 C CG . PRO A 1 2 ? 6.742 0.359 5.935 1.00 0.00 ? 2 PRO A CG 12 ATOM 733 C CD . PRO A 1 2 ? 7.882 1.136 6.610 1.00 0.00 ? 2 PRO A CD 12 ATOM 734 H HA . PRO A 1 2 ? 7.717 2.473 3.619 1.00 0.00 ? 2 PRO A HA 12 ATOM 735 H HB2 . PRO A 1 2 ? 5.642 0.832 4.171 1.00 0.00 ? 2 PRO A HB2 12 ATOM 736 H HB3 . PRO A 1 2 ? 7.280 0.207 3.887 1.00 0.00 ? 2 PRO A HB3 12 ATOM 737 H HG2 . PRO A 1 2 ? 5.807 0.559 6.440 1.00 0.00 ? 2 PRO A HG2 12 ATOM 738 H HG3 . PRO A 1 2 ? 6.960 -0.696 5.961 1.00 0.00 ? 2 PRO A HG3 12 ATOM 739 H HD2 . PRO A 1 2 ? 7.554 1.538 7.559 1.00 0.00 ? 2 PRO A HD2 12 ATOM 740 H HD3 . PRO A 1 2 ? 8.745 0.501 6.744 1.00 0.00 ? 2 PRO A HD3 12 ATOM 741 N N . GLY A 1 3 ? 5.530 3.269 5.981 1.00 0.00 ? 3 GLY A N 12 ATOM 742 C CA . GLY A 1 3 ? 4.482 4.230 6.291 1.00 0.00 ? 3 GLY A CA 12 ATOM 743 C C . GLY A 1 3 ? 4.816 5.563 5.626 1.00 0.00 ? 3 GLY A C 12 ATOM 744 O O . GLY A 1 3 ? 3.959 6.184 4.996 1.00 0.00 ? 3 GLY A O 12 ATOM 745 H H . GLY A 1 3 ? 5.818 2.623 6.659 1.00 0.00 ? 3 GLY A H 12 ATOM 746 H HA2 . GLY A 1 3 ? 3.524 3.858 5.922 1.00 0.00 ? 3 GLY A HA2 12 ATOM 747 H HA3 . GLY A 1 3 ? 4.427 4.369 7.360 1.00 0.00 ? 3 GLY A HA3 12 ATOM 748 N N . CYS A 1 4 ? 6.077 5.989 5.760 1.00 0.00 ? 4 CYS A N 12 ATOM 749 C CA . CYS A 1 4 ? 6.521 7.236 5.159 1.00 0.00 ? 4 CYS A CA 12 ATOM 750 C C . CYS A 1 4 ? 5.789 7.490 3.846 1.00 0.00 ? 4 CYS A C 12 ATOM 751 O O . CYS A 1 4 ? 5.944 6.740 2.882 1.00 0.00 ? 4 CYS A O 12 ATOM 752 C CB . CYS A 1 4 ? 8.031 7.181 4.905 1.00 0.00 ? 4 CYS A CB 12 ATOM 753 S SG . CYS A 1 4 ? 8.841 6.279 6.252 1.00 0.00 ? 4 CYS A SG 12 ATOM 754 H H . CYS A 1 4 ? 6.724 5.452 6.269 1.00 0.00 ? 4 CYS A H 12 ATOM 755 H HA . CYS A 1 4 ? 6.312 8.041 5.838 1.00 0.00 ? 4 CYS A HA 12 ATOM 756 H HB2 . CYS A 1 4 ? 8.220 6.676 3.969 1.00 0.00 ? 4 CYS A HB2 12 ATOM 757 H HB3 . CYS A 1 4 ? 8.424 8.186 4.857 1.00 0.00 ? 4 CYS A HB3 12 ATOM 758 N N . LYS A 1 5 ? 4.991 8.551 3.817 1.00 0.00 ? 5 LYS A N 12 ATOM 759 C CA . LYS A 1 5 ? 4.238 8.897 2.617 1.00 0.00 ? 5 LYS A CA 12 ATOM 760 C C . LYS A 1 5 ? 4.593 10.304 2.149 1.00 0.00 ? 5 LYS A C 12 ATOM 761 O O . LYS A 1 5 ? 3.909 11.232 2.552 1.00 0.00 ? 5 LYS A O 12 ATOM 762 C CB . LYS A 1 5 ? 2.737 8.813 2.900 1.00 0.00 ? 5 LYS A CB 12 ATOM 763 C CG . LYS A 1 5 ? 1.965 8.887 1.582 1.00 0.00 ? 5 LYS A CG 12 ATOM 764 C CD . LYS A 1 5 ? 0.521 8.439 1.810 1.00 0.00 ? 5 LYS A CD 12 ATOM 765 C CE . LYS A 1 5 ? -0.250 8.505 0.489 1.00 0.00 ? 5 LYS A CE 12 ATOM 766 N NZ . LYS A 1 5 ? -1.712 8.420 0.763 1.00 0.00 1 5 LYS A NZ 12 ATOM 767 O OXT . LYS A 1 5 ? 5.543 10.435 1.394 1.00 0.00 ? 5 LYS A OXT 12 ATOM 768 H H . LYS A 1 5 ? 4.908 9.112 4.616 1.00 0.00 ? 5 LYS A H 12 ATOM 769 H HA . LYS A 1 5 ? 4.484 8.195 1.835 1.00 0.00 ? 5 LYS A HA 12 ATOM 770 H HB2 . LYS A 1 5 ? 2.516 7.880 3.396 1.00 0.00 ? 5 LYS A HB2 12 ATOM 771 H HB3 . LYS A 1 5 ? 2.444 9.637 3.534 1.00 0.00 ? 5 LYS A HB3 12 ATOM 772 H HG2 . LYS A 1 5 ? 1.973 9.905 1.217 1.00 0.00 ? 5 LYS A HG2 12 ATOM 773 H HG3 . LYS A 1 5 ? 2.431 8.240 0.854 1.00 0.00 ? 5 LYS A HG3 12 ATOM 774 H HD2 . LYS A 1 5 ? 0.514 7.424 2.181 1.00 0.00 ? 5 LYS A HD2 12 ATOM 775 H HD3 . LYS A 1 5 ? 0.050 9.090 2.531 1.00 0.00 ? 5 LYS A HD3 12 ATOM 776 H HE2 . LYS A 1 5 ? -0.030 9.438 -0.009 1.00 0.00 ? 5 LYS A HE2 12 ATOM 777 H HE3 . LYS A 1 5 ? 0.048 7.680 -0.143 1.00 0.00 ? 5 LYS A HE3 12 ATOM 778 H HZ1 . LYS A 1 5 ? -1.953 9.043 1.559 1.00 0.00 ? 5 LYS A HZ1 12 ATOM 779 H HZ2 . LYS A 1 5 ? -1.963 7.438 1.000 1.00 0.00 ? 5 LYS A HZ2 12 ATOM 780 H HZ3 . LYS A 1 5 ? -2.240 8.719 -0.081 1.00 0.00 ? 5 LYS A HZ3 12 HETATM 781 N N . DAL A 1 1 ? 10.198 3.436 3.647 1.00 0.00 1 1 DAL A N 13 HETATM 782 C CA . DAL A 1 1 ? 9.375 4.069 4.716 1.00 0.00 ? 1 DAL A CA 13 HETATM 783 C CB . DAL A 1 1 ? 10.089 5.322 5.228 1.00 0.00 ? 1 DAL A CB 13 HETATM 784 C C . DAL A 1 1 ? 9.179 3.077 5.859 1.00 0.00 ? 1 DAL A C 13 HETATM 785 O O . DAL A 1 1 ? 9.943 3.066 6.824 1.00 0.00 ? 1 DAL A O 13 HETATM 786 H H1 . DAL A 1 1 ? 9.686 2.621 3.253 1.00 0.00 ? 1 DAL A H1 13 HETATM 787 H H2 . DAL A 1 1 ? 11.102 3.116 4.050 1.00 0.00 ? 1 DAL A H2 13 HETATM 788 H H3 . DAL A 1 1 ? 10.378 4.127 2.892 1.00 0.00 ? 1 DAL A H3 13 HETATM 789 H HA . DAL A 1 1 ? 8.415 4.348 4.309 1.00 0.00 ? 1 DAL A HA 13 HETATM 790 H HB1 . DAL A 1 1 ? 10.457 5.895 4.389 1.00 0.00 ? 1 DAL A HB1 13 HETATM 791 H HB2 . DAL A 1 1 ? 10.919 5.031 5.856 1.00 0.00 ? 1 DAL A HB2 13 ATOM 792 N N . PRO A 1 2 ? 8.176 2.245 5.760 1.00 0.00 ? 2 PRO A N 13 ATOM 793 C CA . PRO A 1 2 ? 7.241 2.237 4.607 1.00 0.00 ? 2 PRO A CA 13 ATOM 794 C C . PRO A 1 2 ? 6.131 3.268 4.764 1.00 0.00 ? 2 PRO A C 13 ATOM 795 O O . PRO A 1 2 ? 5.852 4.031 3.840 1.00 0.00 ? 2 PRO A O 13 ATOM 796 C CB . PRO A 1 2 ? 6.693 0.812 4.619 1.00 0.00 ? 2 PRO A CB 13 ATOM 797 C CG . PRO A 1 2 ? 6.714 0.400 6.057 1.00 0.00 ? 2 PRO A CG 13 ATOM 798 C CD . PRO A 1 2 ? 7.826 1.208 6.743 1.00 0.00 ? 2 PRO A CD 13 ATOM 799 H HA . PRO A 1 2 ? 7.776 2.414 3.692 1.00 0.00 ? 2 PRO A HA 13 ATOM 800 H HB2 . PRO A 1 2 ? 5.682 0.794 4.234 1.00 0.00 ? 2 PRO A HB2 13 ATOM 801 H HB3 . PRO A 1 2 ? 7.329 0.159 4.040 1.00 0.00 ? 2 PRO A HB3 13 ATOM 802 H HG2 . PRO A 1 2 ? 5.759 0.617 6.516 1.00 0.00 ? 2 PRO A HG2 13 ATOM 803 H HG3 . PRO A 1 2 ? 6.933 -0.654 6.137 1.00 0.00 ? 2 PRO A HG3 13 ATOM 804 H HD2 . PRO A 1 2 ? 7.458 1.658 7.656 1.00 0.00 ? 2 PRO A HD2 13 ATOM 805 H HD3 . PRO A 1 2 ? 8.680 0.582 6.945 1.00 0.00 ? 2 PRO A HD3 13 ATOM 806 N N . GLY A 1 3 ? 5.510 3.305 5.938 1.00 0.00 ? 3 GLY A N 13 ATOM 807 C CA . GLY A 1 3 ? 4.454 4.277 6.174 1.00 0.00 ? 3 GLY A CA 13 ATOM 808 C C . GLY A 1 3 ? 4.835 5.599 5.511 1.00 0.00 ? 3 GLY A C 13 ATOM 809 O O . GLY A 1 3 ? 4.009 6.238 4.858 1.00 0.00 ? 3 GLY A O 13 ATOM 810 H H . GLY A 1 3 ? 5.774 2.689 6.653 1.00 0.00 ? 3 GLY A H 13 ATOM 811 H HA2 . GLY A 1 3 ? 3.516 3.907 5.756 1.00 0.00 ? 3 GLY A HA2 13 ATOM 812 H HA3 . GLY A 1 3 ? 4.338 4.434 7.235 1.00 0.00 ? 3 GLY A HA3 13 ATOM 813 N N . CYS A 1 4 ? 6.102 5.997 5.674 1.00 0.00 ? 4 CYS A N 13 ATOM 814 C CA . CYS A 1 4 ? 6.589 7.232 5.080 1.00 0.00 ? 4 CYS A CA 13 ATOM 815 C C . CYS A 1 4 ? 5.834 7.546 3.795 1.00 0.00 ? 4 CYS A C 13 ATOM 816 O O . CYS A 1 4 ? 6.062 6.921 2.759 1.00 0.00 ? 4 CYS A O 13 ATOM 817 C CB . CYS A 1 4 ? 8.086 7.110 4.780 1.00 0.00 ? 4 CYS A CB 13 ATOM 818 S SG . CYS A 1 4 ? 8.926 6.330 6.184 1.00 0.00 ? 4 CYS A SG 13 ATOM 819 H H . CYS A 1 4 ? 6.724 5.448 6.202 1.00 0.00 ? 4 CYS A H 13 ATOM 820 H HA . CYS A 1 4 ? 6.440 8.034 5.779 1.00 0.00 ? 4 CYS A HA 13 ATOM 821 H HB2 . CYS A 1 4 ? 8.228 6.507 3.896 1.00 0.00 ? 4 CYS A HB2 13 ATOM 822 H HB3 . CYS A 1 4 ? 8.500 8.094 4.615 1.00 0.00 ? 4 CYS A HB3 13 ATOM 823 N N . LYS A 1 5 ? 4.933 8.519 3.872 1.00 0.00 ? 5 LYS A N 13 ATOM 824 C CA . LYS A 1 5 ? 4.146 8.913 2.710 1.00 0.00 ? 5 LYS A CA 13 ATOM 825 C C . LYS A 1 5 ? 4.654 10.236 2.143 1.00 0.00 ? 5 LYS A C 13 ATOM 826 O O . LYS A 1 5 ? 4.249 10.583 1.046 1.00 0.00 ? 5 LYS A O 13 ATOM 827 C CB . LYS A 1 5 ? 2.673 9.057 3.101 1.00 0.00 ? 5 LYS A CB 13 ATOM 828 C CG . LYS A 1 5 ? 1.877 7.876 2.541 1.00 0.00 ? 5 LYS A CG 13 ATOM 829 C CD . LYS A 1 5 ? 0.441 7.933 3.066 1.00 0.00 ? 5 LYS A CD 13 ATOM 830 C CE . LYS A 1 5 ? -0.264 6.609 2.769 1.00 0.00 ? 5 LYS A CE 13 ATOM 831 N NZ . LYS A 1 5 ? -0.706 6.590 1.345 1.00 0.00 1 5 LYS A NZ 13 ATOM 832 O OXT . LYS A 1 5 ? 5.440 10.882 2.816 1.00 0.00 ? 5 LYS A OXT 13 ATOM 833 H H . LYS A 1 5 ? 4.798 8.978 4.726 1.00 0.00 ? 5 LYS A H 13 ATOM 834 H HA . LYS A 1 5 ? 4.233 8.151 1.951 1.00 0.00 ? 5 LYS A HA 13 ATOM 835 H HB2 . LYS A 1 5 ? 2.587 9.073 4.178 1.00 0.00 ? 5 LYS A HB2 13 ATOM 836 H HB3 . LYS A 1 5 ? 2.281 9.978 2.695 1.00 0.00 ? 5 LYS A HB3 13 ATOM 837 H HG2 . LYS A 1 5 ? 1.869 7.928 1.461 1.00 0.00 ? 5 LYS A HG2 13 ATOM 838 H HG3 . LYS A 1 5 ? 2.337 6.951 2.854 1.00 0.00 ? 5 LYS A HG3 13 ATOM 839 H HD2 . LYS A 1 5 ? 0.455 8.102 4.134 1.00 0.00 ? 5 LYS A HD2 13 ATOM 840 H HD3 . LYS A 1 5 ? -0.089 8.738 2.580 1.00 0.00 ? 5 LYS A HD3 13 ATOM 841 H HE2 . LYS A 1 5 ? 0.419 5.790 2.944 1.00 0.00 ? 5 LYS A HE2 13 ATOM 842 H HE3 . LYS A 1 5 ? -1.123 6.505 3.414 1.00 0.00 ? 5 LYS A HE3 13 ATOM 843 H HZ1 . LYS A 1 5 ? -1.699 6.892 1.287 1.00 0.00 ? 5 LYS A HZ1 13 ATOM 844 H HZ2 . LYS A 1 5 ? -0.614 5.624 0.966 1.00 0.00 ? 5 LYS A HZ2 13 ATOM 845 H HZ3 . LYS A 1 5 ? -0.115 7.239 0.789 1.00 0.00 ? 5 LYS A HZ3 13 HETATM 846 N N . DAL A 1 1 ? 10.065 3.715 3.369 1.00 0.00 1 1 DAL A N 14 HETATM 847 C CA . DAL A 1 1 ? 9.264 4.208 4.524 1.00 0.00 ? 1 DAL A CA 14 HETATM 848 C CB . DAL A 1 1 ? 9.889 5.496 5.061 1.00 0.00 ? 1 DAL A CB 14 HETATM 849 C C . DAL A 1 1 ? 9.243 3.141 5.619 1.00 0.00 ? 1 DAL A C 14 HETATM 850 O O . DAL A 1 1 ? 10.110 3.121 6.494 1.00 0.00 ? 1 DAL A O 14 HETATM 851 H H1 . DAL A 1 1 ? 10.865 3.150 3.717 1.00 0.00 ? 1 DAL A H1 14 HETATM 852 H H2 . DAL A 1 1 ? 10.422 4.527 2.825 1.00 0.00 ? 1 DAL A H2 14 HETATM 853 H H3 . DAL A 1 1 ? 9.465 3.124 2.759 1.00 0.00 ? 1 DAL A H3 14 HETATM 854 H HA . DAL A 1 1 ? 8.257 4.412 4.198 1.00 0.00 ? 1 DAL A HA 14 HETATM 855 H HB1 . DAL A 1 1 ? 10.104 6.163 4.238 1.00 0.00 ? 1 DAL A HB1 14 HETATM 856 H HB2 . DAL A 1 1 ? 10.806 5.260 5.581 1.00 0.00 ? 1 DAL A HB2 14 ATOM 857 N N . PRO A 1 2 ? 8.278 2.257 5.582 1.00 0.00 ? 2 PRO A N 14 ATOM 858 C CA . PRO A 1 2 ? 7.216 2.253 4.541 1.00 0.00 ? 2 PRO A CA 14 ATOM 859 C C . PRO A 1 2 ? 6.089 3.224 4.868 1.00 0.00 ? 2 PRO A C 14 ATOM 860 O O . PRO A 1 2 ? 5.677 4.011 4.016 1.00 0.00 ? 2 PRO A O 14 ATOM 861 C CB . PRO A 1 2 ? 6.732 0.804 4.549 1.00 0.00 ? 2 PRO A CB 14 ATOM 862 C CG . PRO A 1 2 ? 6.939 0.332 5.953 1.00 0.00 ? 2 PRO A CG 14 ATOM 863 C CD . PRO A 1 2 ? 8.098 1.152 6.537 1.00 0.00 ? 2 PRO A CD 14 ATOM 864 H HA . PRO A 1 2 ? 7.634 2.490 3.580 1.00 0.00 ? 2 PRO A HA 14 ATOM 865 H HB2 . PRO A 1 2 ? 5.684 0.756 4.281 1.00 0.00 ? 2 PRO A HB2 14 ATOM 866 H HB3 . PRO A 1 2 ? 7.322 0.206 3.870 1.00 0.00 ? 2 PRO A HB3 14 ATOM 867 H HG2 . PRO A 1 2 ? 6.039 0.495 6.532 1.00 0.00 ? 2 PRO A HG2 14 ATOM 868 H HG3 . PRO A 1 2 ? 7.197 -0.714 5.958 1.00 0.00 ? 2 PRO A HG3 14 ATOM 869 H HD2 . PRO A 1 2 ? 7.836 1.532 7.515 1.00 0.00 ? 2 PRO A HD2 14 ATOM 870 H HD3 . PRO A 1 2 ? 8.995 0.555 6.589 1.00 0.00 ? 2 PRO A HD3 14 ATOM 871 N N . GLY A 1 3 ? 5.602 3.184 6.105 1.00 0.00 ? 3 GLY A N 14 ATOM 872 C CA . GLY A 1 3 ? 4.537 4.092 6.501 1.00 0.00 ? 3 GLY A CA 14 ATOM 873 C C . GLY A 1 3 ? 4.755 5.446 5.829 1.00 0.00 ? 3 GLY A C 14 ATOM 874 O O . GLY A 1 3 ? 3.826 6.026 5.266 1.00 0.00 ? 3 GLY A O 14 ATOM 875 H H . GLY A 1 3 ? 5.969 2.550 6.755 1.00 0.00 ? 3 GLY A H 14 ATOM 876 H HA2 . GLY A 1 3 ? 3.573 3.679 6.200 1.00 0.00 ? 3 GLY A HA2 14 ATOM 877 H HA3 . GLY A 1 3 ? 4.554 4.221 7.573 1.00 0.00 ? 3 GLY A HA3 14 ATOM 878 N N . CYS A 1 4 ? 5.997 5.940 5.883 1.00 0.00 ? 4 CYS A N 14 ATOM 879 C CA . CYS A 1 4 ? 6.328 7.215 5.266 1.00 0.00 ? 4 CYS A CA 14 ATOM 880 C C . CYS A 1 4 ? 5.547 7.406 3.971 1.00 0.00 ? 4 CYS A C 14 ATOM 881 O O . CYS A 1 4 ? 5.259 6.443 3.261 1.00 0.00 ? 4 CYS A O 14 ATOM 882 C CB . CYS A 1 4 ? 7.830 7.278 4.972 1.00 0.00 ? 4 CYS A CB 14 ATOM 883 S SG . CYS A 1 4 ? 8.731 6.299 6.202 1.00 0.00 ? 4 CYS A SG 14 ATOM 884 H H . CYS A 1 4 ? 6.706 5.437 6.341 1.00 0.00 ? 4 CYS A H 14 ATOM 885 H HA . CYS A 1 4 ? 6.075 8.005 5.947 1.00 0.00 ? 4 CYS A HA 14 ATOM 886 H HB2 . CYS A 1 4 ? 8.021 6.882 3.986 1.00 0.00 ? 4 CYS A HB2 14 ATOM 887 H HB3 . CYS A 1 4 ? 8.162 8.305 5.017 1.00 0.00 ? 4 CYS A HB3 14 ATOM 888 N N . LYS A 1 5 ? 5.207 8.654 3.669 1.00 0.00 ? 5 LYS A N 14 ATOM 889 C CA . LYS A 1 5 ? 4.459 8.960 2.455 1.00 0.00 ? 5 LYS A CA 14 ATOM 890 C C . LYS A 1 5 ? 5.312 8.690 1.219 1.00 0.00 ? 5 LYS A C 14 ATOM 891 O O . LYS A 1 5 ? 6.366 9.292 1.108 1.00 0.00 ? 5 LYS A O 14 ATOM 892 C CB . LYS A 1 5 ? 4.024 10.426 2.466 1.00 0.00 ? 5 LYS A CB 14 ATOM 893 C CG . LYS A 1 5 ? 3.020 10.668 1.337 1.00 0.00 ? 5 LYS A CG 14 ATOM 894 C CD . LYS A 1 5 ? 3.053 12.143 0.932 1.00 0.00 ? 5 LYS A CD 14 ATOM 895 C CE . LYS A 1 5 ? 4.298 12.412 0.085 1.00 0.00 ? 5 LYS A CE 14 ATOM 896 N NZ . LYS A 1 5 ? 4.078 13.628 -0.748 1.00 0.00 1 5 LYS A NZ 14 ATOM 897 O OXT . LYS A 1 5 ? 4.898 7.882 0.403 1.00 0.00 ? 5 LYS A OXT 14 ATOM 898 H H . LYS A 1 5 ? 5.464 9.383 4.273 1.00 0.00 ? 5 LYS A H 14 ATOM 899 H HA . LYS A 1 5 ? 3.580 8.336 2.419 1.00 0.00 ? 5 LYS A HA 14 ATOM 900 H HB2 . LYS A 1 5 ? 3.564 10.658 3.415 1.00 0.00 ? 5 LYS A HB2 14 ATOM 901 H HB3 . LYS A 1 5 ? 4.886 11.059 2.319 1.00 0.00 ? 5 LYS A HB3 14 ATOM 902 H HG2 . LYS A 1 5 ? 3.278 10.053 0.488 1.00 0.00 ? 5 LYS A HG2 14 ATOM 903 H HG3 . LYS A 1 5 ? 2.026 10.414 1.678 1.00 0.00 ? 5 LYS A HG3 14 ATOM 904 H HD2 . LYS A 1 5 ? 2.169 12.378 0.357 1.00 0.00 ? 5 LYS A HD2 14 ATOM 905 H HD3 . LYS A 1 5 ? 3.082 12.760 1.817 1.00 0.00 ? 5 LYS A HD3 14 ATOM 906 H HE2 . LYS A 1 5 ? 5.148 12.569 0.734 1.00 0.00 ? 5 LYS A HE2 14 ATOM 907 H HE3 . LYS A 1 5 ? 4.488 11.565 -0.557 1.00 0.00 ? 5 LYS A HE3 14 ATOM 908 H HZ1 . LYS A 1 5 ? 3.059 13.774 -0.885 1.00 0.00 ? 5 LYS A HZ1 14 ATOM 909 H HZ2 . LYS A 1 5 ? 4.540 13.502 -1.673 1.00 0.00 ? 5 LYS A HZ2 14 ATOM 910 H HZ3 . LYS A 1 5 ? 4.484 14.456 -0.267 1.00 0.00 ? 5 LYS A HZ3 14 HETATM 911 N N . DAL A 1 1 ? 10.205 3.564 3.618 1.00 0.00 1 1 DAL A N 15 HETATM 912 C CA . DAL A 1 1 ? 9.351 4.087 4.722 1.00 0.00 ? 1 DAL A CA 15 HETATM 913 C CB . DAL A 1 1 ? 10.041 5.290 5.367 1.00 0.00 ? 1 DAL A CB 15 HETATM 914 C C . DAL A 1 1 ? 9.136 2.987 5.761 1.00 0.00 ? 1 DAL A C 15 HETATM 915 O O . DAL A 1 1 ? 9.908 2.862 6.712 1.00 0.00 ? 1 DAL A O 15 HETATM 916 H H1 . DAL A 1 1 ? 9.865 2.624 3.333 1.00 0.00 ? 1 DAL A H1 15 HETATM 917 H H2 . DAL A 1 1 ? 11.190 3.492 3.947 1.00 0.00 ? 1 DAL A H2 15 HETATM 918 H H3 . DAL A 1 1 ? 10.156 4.209 2.805 1.00 0.00 ? 1 DAL A H3 15 HETATM 919 H HA . DAL A 1 1 ? 8.400 4.396 4.320 1.00 0.00 ? 1 DAL A HA 15 HETATM 920 H HB1 . DAL A 1 1 ? 10.428 5.940 4.595 1.00 0.00 ? 1 DAL A HB1 15 HETATM 921 H HB2 . DAL A 1 1 ? 10.855 4.946 5.989 1.00 0.00 ? 1 DAL A HB2 15 ATOM 922 N N . PRO A 1 2 ? 8.111 2.191 5.592 1.00 0.00 ? 2 PRO A N 15 ATOM 923 C CA . PRO A 1 2 ? 7.163 2.316 4.455 1.00 0.00 ? 2 PRO A CA 15 ATOM 924 C C . PRO A 1 2 ? 6.092 3.369 4.716 1.00 0.00 ? 2 PRO A C 15 ATOM 925 O O . PRO A 1 2 ? 5.828 4.216 3.862 1.00 0.00 ? 2 PRO A O 15 ATOM 926 C CB . PRO A 1 2 ? 6.561 0.917 4.350 1.00 0.00 ? 2 PRO A CB 15 ATOM 927 C CG . PRO A 1 2 ? 6.594 0.372 5.742 1.00 0.00 ? 2 PRO A CG 15 ATOM 928 C CD . PRO A 1 2 ? 7.747 1.072 6.475 1.00 0.00 ? 2 PRO A CD 15 ATOM 929 H HA . PRO A 1 2 ? 7.693 2.553 3.550 1.00 0.00 ? 2 PRO A HA 15 ATOM 930 H HB2 . PRO A 1 2 ? 5.544 0.971 3.987 1.00 0.00 ? 2 PRO A HB2 15 ATOM 931 H HB3 . PRO A 1 2 ? 7.162 0.297 3.699 1.00 0.00 ? 2 PRO A HB3 15 ATOM 932 H HG2 . PRO A 1 2 ? 5.656 0.580 6.240 1.00 0.00 ? 2 PRO A HG2 15 ATOM 933 H HG3 . PRO A 1 2 ? 6.773 -0.691 5.719 1.00 0.00 ? 2 PRO A HG3 15 ATOM 934 H HD2 . PRO A 1 2 ? 7.416 1.438 7.437 1.00 0.00 ? 2 PRO A HD2 15 ATOM 935 H HD3 . PRO A 1 2 ? 8.584 0.402 6.591 1.00 0.00 ? 2 PRO A HD3 15 ATOM 936 N N . GLY A 1 3 ? 5.489 3.333 5.900 1.00 0.00 ? 3 GLY A N 15 ATOM 937 C CA . GLY A 1 3 ? 4.471 4.318 6.231 1.00 0.00 ? 3 GLY A CA 15 ATOM 938 C C . GLY A 1 3 ? 4.855 5.657 5.607 1.00 0.00 ? 3 GLY A C 15 ATOM 939 O O . GLY A 1 3 ? 4.033 6.317 4.972 1.00 0.00 ? 3 GLY A O 15 ATOM 940 H H . GLY A 1 3 ? 5.741 2.650 6.558 1.00 0.00 ? 3 GLY A H 15 ATOM 941 H HA2 . GLY A 1 3 ? 3.506 3.990 5.844 1.00 0.00 ? 3 GLY A HA2 15 ATOM 942 H HA3 . GLY A 1 3 ? 4.411 4.429 7.303 1.00 0.00 ? 3 GLY A HA3 15 ATOM 943 N N . CYS A 1 4 ? 6.124 6.046 5.784 1.00 0.00 ? 4 CYS A N 15 ATOM 944 C CA . CYS A 1 4 ? 6.618 7.295 5.225 1.00 0.00 ? 4 CYS A CA 15 ATOM 945 C C . CYS A 1 4 ? 5.967 7.574 3.873 1.00 0.00 ? 4 CYS A C 15 ATOM 946 O O . CYS A 1 4 ? 6.418 7.075 2.842 1.00 0.00 ? 4 CYS A O 15 ATOM 947 C CB . CYS A 1 4 ? 8.139 7.220 5.058 1.00 0.00 ? 4 CYS A CB 15 ATOM 948 S SG . CYS A 1 4 ? 8.846 6.201 6.380 1.00 0.00 ? 4 CYS A SG 15 ATOM 949 H H . CYS A 1 4 ? 6.743 5.480 6.295 1.00 0.00 ? 4 CYS A H 15 ATOM 950 H HA . CYS A 1 4 ? 6.382 8.095 5.901 1.00 0.00 ? 4 CYS A HA 15 ATOM 951 H HB2 . CYS A 1 4 ? 8.375 6.780 4.100 1.00 0.00 ? 4 CYS A HB2 15 ATOM 952 H HB3 . CYS A 1 4 ? 8.556 8.215 5.109 1.00 0.00 ? 4 CYS A HB3 15 ATOM 953 N N . LYS A 1 5 ? 4.906 8.374 3.886 1.00 0.00 ? 5 LYS A N 15 ATOM 954 C CA . LYS A 1 5 ? 4.202 8.712 2.654 1.00 0.00 ? 5 LYS A CA 15 ATOM 955 C C . LYS A 1 5 ? 4.721 10.030 2.086 1.00 0.00 ? 5 LYS A C 15 ATOM 956 O O . LYS A 1 5 ? 5.239 10.013 0.981 1.00 0.00 ? 5 LYS A O 15 ATOM 957 C CB . LYS A 1 5 ? 2.699 8.824 2.925 1.00 0.00 ? 5 LYS A CB 15 ATOM 958 C CG . LYS A 1 5 ? 1.965 7.664 2.248 1.00 0.00 ? 5 LYS A CG 15 ATOM 959 C CD . LYS A 1 5 ? 0.610 7.453 2.926 1.00 0.00 ? 5 LYS A CD 15 ATOM 960 C CE . LYS A 1 5 ? 0.712 6.294 3.920 1.00 0.00 ? 5 LYS A CE 15 ATOM 961 N NZ . LYS A 1 5 ? -0.601 6.104 4.599 1.00 0.00 1 5 LYS A NZ 15 ATOM 962 O OXT . LYS A 1 5 ? 4.592 11.036 2.764 1.00 0.00 ? 5 LYS A OXT 15 ATOM 963 H H . LYS A 1 5 ? 4.592 8.743 4.737 1.00 0.00 ? 5 LYS A H 15 ATOM 964 H HA . LYS A 1 5 ? 4.370 7.929 1.929 1.00 0.00 ? 5 LYS A HA 15 ATOM 965 H HB2 . LYS A 1 5 ? 2.523 8.789 3.991 1.00 0.00 ? 5 LYS A HB2 15 ATOM 966 H HB3 . LYS A 1 5 ? 2.331 9.760 2.530 1.00 0.00 ? 5 LYS A HB3 15 ATOM 967 H HG2 . LYS A 1 5 ? 1.813 7.895 1.203 1.00 0.00 ? 5 LYS A HG2 15 ATOM 968 H HG3 . LYS A 1 5 ? 2.553 6.764 2.337 1.00 0.00 ? 5 LYS A HG3 15 ATOM 969 H HD2 . LYS A 1 5 ? 0.325 8.354 3.450 1.00 0.00 ? 5 LYS A HD2 15 ATOM 970 H HD3 . LYS A 1 5 ? -0.134 7.219 2.180 1.00 0.00 ? 5 LYS A HD3 15 ATOM 971 H HE2 . LYS A 1 5 ? 0.979 5.390 3.392 1.00 0.00 ? 5 LYS A HE2 15 ATOM 972 H HE3 . LYS A 1 5 ? 1.469 6.517 4.656 1.00 0.00 ? 5 LYS A HE3 15 ATOM 973 H HZ1 . LYS A 1 5 ? -0.568 6.532 5.545 1.00 0.00 ? 5 LYS A HZ1 15 ATOM 974 H HZ2 . LYS A 1 5 ? -0.802 5.086 4.684 1.00 0.00 ? 5 LYS A HZ2 15 ATOM 975 H HZ3 . LYS A 1 5 ? -1.350 6.559 4.040 1.00 0.00 ? 5 LYS A HZ3 15 # 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 DAL 1 1 1 DAL DAL A . n A 1 2 PRO 2 2 2 PRO PRO A . n A 1 3 GLY 3 3 3 GLY GLY A . n A 1 4 CYS 4 4 4 CYS CYS A . n A 1 5 LYS 5 5 5 LYS LYS A . n # _pdbx_nmr_exptl_sample.solution_id 1 _pdbx_nmr_exptl_sample.component 'Nisin Ring B (Lan8,11) analogue' _pdbx_nmr_exptl_sample.concentration 2.0 _pdbx_nmr_exptl_sample.concentration_range ? _pdbx_nmr_exptl_sample.concentration_units mg/mL _pdbx_nmr_exptl_sample.isotopic_labeling NA- # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 CYS A 4 ? ? -30.61 138.75 2 2 CYS A 4 ? ? -30.76 103.14 3 3 CYS A 4 ? ? -29.65 139.42 4 4 CYS A 4 ? ? -33.19 91.82 5 5 CYS A 4 ? ? -38.00 95.39 6 6 CYS A 4 ? ? -35.15 85.63 7 7 CYS A 4 ? ? -32.31 89.80 8 8 CYS A 4 ? ? -39.66 110.59 9 9 CYS A 4 ? ? -30.11 87.32 10 10 CYS A 4 ? ? -33.57 113.40 11 11 CYS A 4 ? ? -37.85 136.99 12 12 CYS A 4 ? ? -33.22 115.04 13 13 CYS A 4 ? ? -29.60 104.90 14 14 CYS A 4 ? ? -36.07 147.22 15 15 CYS A 4 ? ? -35.37 95.89 # _pdbx_audit_support.funding_organization 'Engineering and Physical Sciences Research Council' _pdbx_audit_support.country 'United Kingdom' _pdbx_audit_support.grant_number EP/L504889/1 _pdbx_audit_support.ordinal 1 # _pdbx_struct_assembly_auth_evidence.id 1 _pdbx_struct_assembly_auth_evidence.assembly_id 1 _pdbx_struct_assembly_auth_evidence.experimental_support none _pdbx_struct_assembly_auth_evidence.details ? # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _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 # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'SSA (A^2)' 640 ? 1 'ABSA (A^2)' 0 ? 1 MORE 0 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _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 #