data_SMS20112
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    1.0675 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_audit_author.address 
_audit_author.name 
_audit_author.pdbx_ordinal 
? 'Chillar, A.'   1 
? 'Wu, J.'        2 
? 'Cervantes, V.' 3 
? 'Ruan, K.-H.'   4 
# 
_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                    
;A 15-residue peptide corresponding to the C-terminal domain of the Gq protein alpha subunit (G q-Ct peptide) was synthesized and characterized using NMR spectroscopic studies.
;
_exptl.entry_id                   SMS20112 
_exptl.method                     'SOLUTION NMR' 
_exptl.method_details             ? 
# 
_pdbx_database_status.deposit_site     BMRB 
_pdbx_database_status.entry_id         SMS20112 
_pdbx_database_status.process_site     PDBJ 
_pdbx_database_status.SG_entry         ? 
_pdbx_database_status.status_code      HPUB 
_pdbx_database_status.status_code_mr   HPUB 
_pdbx_database_status.status_code_sf   ? 
# 
loop_
_pdbx_nmr_exptl.conditions_id 
_pdbx_nmr_exptl.experiment_id 
_pdbx_nmr_exptl.solution_id 
_pdbx_nmr_exptl.type 
1 1 1 '2D DQF-COSY'    
1 2 1 '2D 1H-1H TOCSY' 
1 3 1 '2D 1H-1H NOESY' 
# 
_pdbx_nmr_exptl_sample.component             'C-terminal domain of the Gq protein alpha subunit (Gaq-Ct peptide)' 
_pdbx_nmr_exptl_sample.concentration         2.2 
_pdbx_nmr_exptl_sample.concentration_range   ? 
_pdbx_nmr_exptl_sample.concentration_units   mM 
_pdbx_nmr_exptl_sample.isotopic_labeling     ? 
_pdbx_nmr_exptl_sample.solution_id           1 
# 
_pdbx_nmr_exptl_sample_conditions.conditions_id    1 
_pdbx_nmr_exptl_sample_conditions.ionic_strength   ? 
_pdbx_nmr_exptl_sample_conditions.pH               6.0 
_pdbx_nmr_exptl_sample_conditions.pressure         ? 
_pdbx_nmr_exptl_sample_conditions.pressure_units   ? 
_pdbx_nmr_exptl_sample_conditions.temperature      293 
# 
_pdbx_nmr_refine.entry_id   SMS20112 
_pdbx_nmr_refine.method     'distance geometry' 
_pdbx_nmr_refine.details    ? 
# 
_pdbx_nmr_representative.conformer_id         1 
_pdbx_nmr_representative.entry_id             SMS20112 
_pdbx_nmr_representative.selection_criteria   'closest to the average' 
# 
_pdbx_nmr_sample_details.contents         '2.2mM C-terminal domain of the Gq protein alpha subunit (Gaq-Ct peptide); 95% H2O/5% D2O' 
_pdbx_nmr_sample_details.solution_id      1 
_pdbx_nmr_sample_details.solvent_system   '95% H2O/5% D2O' 
# 
_pdbx_nmr_spectrometer.field_strength    600 
_pdbx_nmr_spectrometer.manufacturer      Bruker 
_pdbx_nmr_spectrometer.model             Avance 
_pdbx_nmr_spectrometer.spectrometer_id   1 
_pdbx_nmr_spectrometer.type              'Bruker Avance' 
# 
_struct_keywords.entry_id        SMS20112 
_struct_keywords.pdbx_keywords   'BLOOD CLOTTING' 
_struct_keywords.text            
;calcium binding proteins, calcium intracellular release, cyclooxygenase (COX) pathway, G protein coupled receptors (GPCR), membrane lipids, prostaglandins, protein-protein interactions, receptor modification, receptor structure-function, BLOOD CLOTTING
;
# 
loop_
_pdbx_nmr_software.authors 
_pdbx_nmr_software.classification 
_pdbx_nmr_software.name 
_pdbx_nmr_software.version 
_pdbx_nmr_software.ordinal 
'Accelrys Software Inc.' processing                   Felix 2000 1 
'Accelrys Software Inc.' 'peak picking'               Felix 2000 2 
'Accelrys Software Inc.' 'chemical shift assignment'  Felix 2000 3 
'Accelrys Software Inc.' 'data analysis'              Felix 2000 4 
'Accelrys Software Inc.' 'chemical shift calculation' Felix 2000 5 
'Accelrys Software Inc.' 'structure solution'         Felix 2000 6 
'Accelrys Software Inc.' refinement                   Felix 2000 7 
# 
_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            6 
_pdbx_nmr_ensemble.conformers_submitted_total_number             1 
_pdbx_nmr_ensemble.distance_constraint_violation_method          ? 
_pdbx_nmr_ensemble.entry_id                                      SMS20112 
_pdbx_nmr_ensemble.maximum_distance_constraint_violation         ? 
_pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation   ? 
_pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation    ? 
_pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation   ? 
_pdbx_nmr_ensemble.representative_conformer                      4 
_pdbx_nmr_ensemble.torsion_angle_constraint_violation_method     ? 
# 
loop_
_pdbx_database_related.db_id 
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.content_type 
20112 BMRB .                                          unspecified 
20109 BMRB 'the same peptide with different criteria' unspecified 
20118 BMRB 'the same peptide with different criteria' unspecified 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    GNAQ_HUMAN 
_struct_ref.pdbx_db_accession          P50148 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   KDTILQLNLKEYNLV 
_struct_ref.pdbx_align_begin           345 
_struct_ref.biol_id                    . 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              ? 
_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                 15 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P50148 
_struct_ref_seq.db_align_beg                  345 
_struct_ref_seq.db_align_end                  359 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       15 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             ? 
_struct_ref_seq_dif.mon_id                       NH2 
_struct_ref_seq_dif.pdbx_pdb_strand_id           A 
_struct_ref_seq_dif.seq_num                      16 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   P50148 
_struct_ref_seq_dif.db_mon_id                    ? 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          ? 
_struct_ref_seq_dif.details                      AMIDATION 
_struct_ref_seq_dif.pdbx_auth_seq_num            16 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
_entry.id   SMS20112 
# 
_struct_biol.id        1 
_struct_biol.details   ? 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
1 Y 1 1 A LYS 1  ? HZ2 ? 
2 Y 1 1 A LYS 10 ? HZ2 ? 
# 
_pdbx_version.entry_id        SMS20112 
_pdbx_version.revision_date   2010-10-28 
_pdbx_version.major_version   3 
_pdbx_version.minor_version   2 
_pdbx_version.details         'compliance with PDB format V.3.20' 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   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 
# 
_database_PDB_rev.num             ? 
_database_PDB_rev.date            ? 
_database_PDB_rev.date_original   2009-12-16 
_database_PDB_rev.mod_type        ? 
_database_PDB_rev.replaces        ? 
_database_PDB_rev.status          ? 
# 
_atom_sites.entry_id                    SMS20112 
_atom_sites.Cartn_transform_axes        ? 
_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 
# 
_citation.id                        primary 
_citation.title                     
'Structural and functional analysis of the C-terminus of Galphaq in complex with the human thromboxane A2 receptor provides evidence of constitutive activity' 
_citation.journal_abbrev            Biochemistry 
_citation.journal_volume            49 
_citation.page_first                6365 
_citation.page_last                 6374 
_citation.year                      2010 
_citation.journal_id_ASTM           BICHAW 
_citation.country                   US 
_citation.journal_id_ISSN           0006-2960 
_citation.journal_id_CSD            0033 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   20590159 
_citation.pdbx_database_id_DOI      10.1021/bi100047n 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
primary 'Chillar, A.'   1 
primary 'Wu, J.'        2 
primary 'Cervantes, V.' 3 
primary 'Ruan, K.-H.'   4 
# 
_database_2.database_id     BMRB 
_database_2.database_code   SMS20112 
# 
_entity.id                         1 
_entity.type                       polymer 
_entity.src_method                 syn 
_entity.pdbx_description           'Guanine nucleotide-binding protein G(q) subunit alpha' 
_entity.formula_weight             1804.134 
_entity.pdbx_number_of_molecules   1 
_entity.details                    'Gaq-Ct peptide' 
_entity.pdbx_mutation              ? 
_entity.pdbx_fragment              'C-terminal domain, UNP residues 345-359' 
_entity.pdbx_ec                    ? 
# 
_entity_keywords.entity_id   1 
_entity_keywords.text        ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Gq protein alpha subunit, Guanine nucleotide-binding protein alpha-q' 
# 
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  ASP n 
1 3  THR n 
1 4  ILE n 
1 5  LEU n 
1 6  GLN n 
1 7  LEU n 
1 8  ASN n 
1 9  LEU n 
1 10 LYS n 
1 11 GLU n 
1 12 TYR n 
1 13 ASN n 
1 14 LEU n 
1 15 VAL n 
1 16 NH2 n 
# 
_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       KDTILQLNLKEYNLV(NH2) 
_entity_poly.pdbx_seq_one_letter_code_can   KDTILQLNLKEYNLVX 
# 
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  ASP 2  2  2  ASP ASP A . n 
A 1 3  THR 3  3  3  THR THR A . n 
A 1 4  ILE 4  4  4  ILE ILE A . n 
A 1 5  LEU 5  5  5  LEU LEU A . n 
A 1 6  GLN 6  6  6  GLN GLN A . n 
A 1 7  LEU 7  7  7  LEU LEU A . n 
A 1 8  ASN 8  8  8  ASN ASN A . n 
A 1 9  LEU 9  9  9  LEU LEU A . n 
A 1 10 LYS 10 10 10 LYS LYS A . n 
A 1 11 GLU 11 11 11 GLU GLU A . n 
A 1 12 TYR 12 12 12 TYR TYR A . n 
A 1 13 ASN 13 13 13 ASN ASN A . n 
A 1 14 LEU 14 14 14 LEU LEU A . n 
A 1 15 VAL 15 15 15 VAL VAL A . n 
A 1 16 NH2 16 16 16 NH2 NH2 A . n 
# 
_pdbx_entity_src_syn.entity_id              1 
_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                'chemical synthesis' 
# 
_struct.entry_id                  SMS20112 
_struct.title                     
;Characterization of the ligand-free constitutive activity of the thromboxane A2 receptor by the integrated approaches of NMR spectroscopy and a recombinant receptor
;
_struct.pdbx_descriptor           'Guanine nucleotide-binding protein G(q) subunit alpha' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_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_
_atom_type.symbol 
N 
C 
O 
H 
# 
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 
LYS 'L-peptide linking' y LYSINE          ? 'C6 H15 N2 O2 1' 147.197 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.104 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.120 
ILE 'L-peptide linking' y ISOLEUCINE      ? 'C6 H13 N O2'    131.174 
LEU 'L-peptide linking' y LEUCINE         ? 'C6 H13 N O2'    131.174 
GLN 'L-peptide linking' y GLUTAMINE       ? 'C5 H10 N2 O3'   146.146 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.119 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.130 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.191 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.147 
NH2 NON-POLYMER         . 'AMINO GROUP'   ? 'H2 N'           16.022  
# 
_pdbx_prerelease_seq.entity_id             1 
_pdbx_prerelease_seq.seq_one_letter_code   KDTILQLNLKEYNLV(NH2) 
# 
_pdbx_validate_rmsd_bond.id               1 
_pdbx_validate_rmsd_bond.PDB_model_num    1 
_pdbx_validate_rmsd_bond.auth_atom_id_1   CD 
_pdbx_validate_rmsd_bond.auth_asym_id_1   A 
_pdbx_validate_rmsd_bond.auth_comp_id_1   GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_1    11 
_pdbx_validate_rmsd_bond.PDB_ins_code_1   ? 
_pdbx_validate_rmsd_bond.label_alt_id_1   ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2   OE2 
_pdbx_validate_rmsd_bond.auth_asym_id_2   A 
_pdbx_validate_rmsd_bond.auth_comp_id_2   GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_2    11 
_pdbx_validate_rmsd_bond.PDB_ins_code_2   ? 
_pdbx_validate_rmsd_bond.label_alt_id_2   ? 
_pdbx_validate_rmsd_bond.bond_deviation   0.108 
# 
_pdbx_validate_rmsd_angle.id                1 
_pdbx_validate_rmsd_angle.PDB_model_num     1 
_pdbx_validate_rmsd_angle.auth_atom_id_1    CB 
_pdbx_validate_rmsd_angle.auth_asym_id_1    A 
_pdbx_validate_rmsd_angle.auth_comp_id_1    ASP 
_pdbx_validate_rmsd_angle.auth_seq_id_1     2 
_pdbx_validate_rmsd_angle.PDB_ins_code_1    ? 
_pdbx_validate_rmsd_angle.label_alt_id_1    ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2    CG 
_pdbx_validate_rmsd_angle.auth_asym_id_2    A 
_pdbx_validate_rmsd_angle.auth_comp_id_2    ASP 
_pdbx_validate_rmsd_angle.auth_seq_id_2     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    OD2 
_pdbx_validate_rmsd_angle.auth_asym_id_3    A 
_pdbx_validate_rmsd_angle.auth_comp_id_3    ASP 
_pdbx_validate_rmsd_angle.auth_seq_id_3     2 
_pdbx_validate_rmsd_angle.PDB_ins_code_3    ? 
_pdbx_validate_rmsd_angle.label_alt_id_3    ? 
_pdbx_validate_rmsd_angle.angle_deviation   -5.9 
# 
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.phi 
_pdbx_validate_torsion.psi 
1 1 LEU A 5  ? 59.26   -0.04   
2 1 TYR A 12 ? -45.28  -156.45 
3 1 ASN A 13 ? -11.57  82.50   
4 1 LEU A 14 ? -155.48 -22.43  
# 
_pdbx_struct_assembly_prop.biol_id   ?
_pdbx_struct_assembly_prop.type      ?
_pdbx_struct_assembly_prop.value     ?
_pdbx_struct_assembly_prop.details   ?
# 
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.Cartn_x_esd 
_atom_site.Cartn_y_esd 
_atom_site.Cartn_z_esd 
_atom_site.occupancy_esd 
_atom_site.B_iso_or_equiv_esd 
_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  ? -15.262 -1.981 -8.578 1.00 0.00 ? ? ? ? ? ? 1  LYS A N    1 
ATOM 2   C CA   . LYS A 1 1  ? -14.489 -0.905 -7.910 1.00 0.00 ? ? ? ? ? ? 1  LYS A CA   1 
ATOM 3   C C    . LYS A 1 1  ? -13.024 -1.382 -7.590 1.00 0.00 ? ? ? ? ? ? 1  LYS A C    1 
ATOM 4   O O    . LYS A 1 1  ? -12.796 -2.587 -7.463 1.00 0.00 ? ? ? ? ? ? 1  LYS A O    1 
ATOM 5   C CB   . LYS A 1 1  ? -15.266 -0.454 -6.642 1.00 0.00 ? ? ? ? ? ? 1  LYS A CB   1 
ATOM 6   C CG   . LYS A 1 1  ? -15.293 1.078  -6.418 1.00 0.00 ? ? ? ? ? ? 1  LYS A CG   1 
ATOM 7   C CD   . LYS A 1 1  ? -16.557 1.537  -5.669 1.00 0.00 ? ? ? ? ? ? 1  LYS A CD   1 
ATOM 8   C CE   . LYS A 1 1  ? -17.841 1.012  -6.325 1.00 0.00 ? ? ? ? ? ? 1  LYS A CE   1 
ATOM 9   N NZ   . LYS A 1 1  ? -17.762 1.216  -7.785 1.00 0.00 ? ? ? ? ? ? 1  LYS A NZ   1 
ATOM 10  H H1   . LYS A 1 1  ? -14.628 -2.553 -9.153 1.00 0.00 ? ? ? ? ? ? 1  LYS A H1   1 
ATOM 11  H H2   . LYS A 1 1  ? -15.709 -2.575 -7.865 1.00 0.00 ? ? ? ? ? ? 1  LYS A H2   1 
ATOM 12  H HA   . LYS A 1 1  ? -14.446 -0.048 -8.611 1.00 0.00 ? ? ? ? ? ? 1  LYS A HA   1 
ATOM 13  H HB2  . LYS A 1 1  ? -16.314 -0.811 -6.701 1.00 0.00 ? ? ? ? ? ? 1  LYS A HB2  1 
ATOM 14  H HB3  . LYS A 1 1  ? -14.843 -0.959 -5.751 1.00 0.00 ? ? ? ? ? ? 1  LYS A HB3  1 
ATOM 15  H HG2  . LYS A 1 1  ? -14.398 1.399  -5.849 1.00 0.00 ? ? ? ? ? ? 1  LYS A HG2  1 
ATOM 16  H HG3  . LYS A 1 1  ? -15.229 1.598  -7.394 1.00 0.00 ? ? ? ? ? ? 1  LYS A HG3  1 
ATOM 17  H HD2  . LYS A 1 1  ? -16.514 1.197  -4.614 1.00 0.00 ? ? ? ? ? ? 1  LYS A HD2  1 
ATOM 18  H HD3  . LYS A 1 1  ? -16.576 2.643  -5.624 1.00 0.00 ? ? ? ? ? ? 1  LYS A HD3  1 
ATOM 19  H HE2  . LYS A 1 1  ? -17.996 -0.061 -6.096 1.00 0.00 ? ? ? ? ? ? 1  LYS A HE2  1 
ATOM 20  H HE3  . LYS A 1 1  ? -18.728 1.542  -5.921 1.00 0.00 ? ? ? ? ? ? 1  LYS A HE3  1 
ATOM 21  H HZ1  . LYS A 1 1  ? -17.484 2.178  -8.013 1.00 0.00 ? ? ? ? ? ? 1  LYS A HZ1  1 
ATOM 22  H HZ3  . LYS A 1 1  ? -17.054 0.610  -8.216 1.00 0.00 ? ? ? ? ? ? 1  LYS A HZ3  1 
ATOM 23  N N    . ASP A 1 2  ? -12.052 -0.467 -7.417 1.00 0.00 ? ? ? ? ? ? 2  ASP A N    1 
ATOM 24  C CA   . ASP A 1 2  ? -10.616 -0.829 -7.205 1.00 0.00 ? ? ? ? ? ? 2  ASP A CA   1 
ATOM 25  C C    . ASP A 1 2  ? -10.276 -1.619 -5.888 1.00 0.00 ? ? ? ? ? ? 2  ASP A C    1 
ATOM 26  O O    . ASP A 1 2  ? -10.835 -1.308 -4.835 1.00 0.00 ? ? ? ? ? ? 2  ASP A O    1 
ATOM 27  C CB   . ASP A 1 2  ? -9.778  0.465  -7.400 1.00 0.00 ? ? ? ? ? ? 2  ASP A CB   1 
ATOM 28  C CG   . ASP A 1 2  ? -10.509 1.705  -7.908 1.00 0.00 ? ? ? ? ? ? 2  ASP A CG   1 
ATOM 29  O OD1  . ASP A 1 2  ? -10.961 2.575  -7.172 1.00 0.00 ? ? ? ? ? ? 2  ASP A OD1  1 
ATOM 30  O OD2  . ASP A 1 2  ? -10.583 1.744  -9.265 1.00 0.00 ? ? ? ? ? ? 2  ASP A OD2  1 
ATOM 31  H H    . ASP A 1 2  ? -12.398 0.493  -7.293 1.00 0.00 ? ? ? ? ? ? 2  ASP A H    1 
ATOM 32  H HA   . ASP A 1 2  ? -10.337 -1.516 -8.034 1.00 0.00 ? ? ? ? ? ? 2  ASP A HA   1 
ATOM 33  H HB2  . ASP A 1 2  ? -9.275  0.741  -6.450 1.00 0.00 ? ? ? ? ? ? 2  ASP A HB2  1 
ATOM 34  H HB3  . ASP A 1 2  ? -8.949  0.276  -8.116 1.00 0.00 ? ? ? ? ? ? 2  ASP A HB3  1 
ATOM 35  H HD2  . ASP A 1 2  ? -10.984 2.585  -9.530 1.00 0.00 ? ? ? ? ? ? 2  ASP A HD2  1 
ATOM 36  N N    . THR A 1 3  ? -9.411  -2.649 -5.942 1.00 0.00 ? ? ? ? ? ? 3  THR A N    1 
ATOM 37  C CA   . THR A 1 3  ? -9.009  -3.450 -4.743 1.00 0.00 ? ? ? ? ? ? 3  THR A CA   1 
ATOM 38  C C    . THR A 1 3  ? -7.469  -3.540 -4.438 1.00 0.00 ? ? ? ? ? ? 3  THR A C    1 
ATOM 39  O O    . THR A 1 3  ? -7.080  -3.464 -3.270 1.00 0.00 ? ? ? ? ? ? 3  THR A O    1 
ATOM 40  C CB   . THR A 1 3  ? -9.674  -4.864 -4.833 1.00 0.00 ? ? ? ? ? ? 3  THR A CB   1 
ATOM 41  O OG1  . THR A 1 3  ? -10.993 -4.795 -5.367 1.00 0.00 ? ? ? ? ? ? 3  THR A OG1  1 
ATOM 42  C CG2  . THR A 1 3  ? -9.835  -5.590 -3.488 1.00 0.00 ? ? ? ? ? ? 3  THR A CG2  1 
ATOM 43  H H    . THR A 1 3  ? -8.948  -2.760 -6.853 1.00 0.00 ? ? ? ? ? ? 3  THR A H    1 
ATOM 44  H HA   . THR A 1 3  ? -9.449  -2.946 -3.857 1.00 0.00 ? ? ? ? ? ? 3  THR A HA   1 
ATOM 45  H HB   . THR A 1 3  ? -9.061  -5.497 -5.505 1.00 0.00 ? ? ? ? ? ? 3  THR A HB   1 
ATOM 46  H HG1  . THR A 1 3  ? -11.586 -4.777 -4.610 1.00 0.00 ? ? ? ? ? ? 3  THR A HG1  1 
ATOM 47  H HG21 . THR A 1 3  ? -10.430 -5.006 -2.761 1.00 0.00 ? ? ? ? ? ? 3  THR A HG21 1 
ATOM 48  H HG22 . THR A 1 3  ? -10.334 -6.570 -3.613 1.00 0.00 ? ? ? ? ? ? 3  THR A HG22 1 
ATOM 49  H HG23 . THR A 1 3  ? -8.857  -5.793 -3.011 1.00 0.00 ? ? ? ? ? ? 3  THR A HG23 1 
ATOM 50  N N    . ILE A 1 4  ? -6.591  -3.654 -5.454 1.00 0.00 ? ? ? ? ? ? 4  ILE A N    1 
ATOM 51  C CA   . ILE A 1 4  ? -5.109  -3.620 -5.250 1.00 0.00 ? ? ? ? ? ? 4  ILE A CA   1 
ATOM 52  C C    . ILE A 1 4  ? -4.567  -2.143 -5.227 1.00 0.00 ? ? ? ? ? ? 4  ILE A C    1 
ATOM 53  O O    . ILE A 1 4  ? -5.245  -1.219 -5.679 1.00 0.00 ? ? ? ? ? ? 4  ILE A O    1 
ATOM 54  C CB   . ILE A 1 4  ? -4.387  -4.587 -6.268 1.00 0.00 ? ? ? ? ? ? 4  ILE A CB   1 
ATOM 55  C CG1  . ILE A 1 4  ? -4.972  -6.036 -6.283 1.00 0.00 ? ? ? ? ? ? 4  ILE A CG1  1 
ATOM 56  C CG2  . ILE A 1 4  ? -2.856  -4.679 -6.013 1.00 0.00 ? ? ? ? ? ? 4  ILE A CG2  1 
ATOM 57  C CD1  . ILE A 1 4  ? -3.994  -7.135 -6.744 1.00 0.00 ? ? ? ? ? ? 4  ILE A CD1  1 
ATOM 58  H H    . ILE A 1 4  ? -7.018  -3.912 -6.352 1.00 0.00 ? ? ? ? ? ? 4  ILE A H    1 
ATOM 59  H HA   . ILE A 1 4  ? -4.881  -4.023 -4.239 1.00 0.00 ? ? ? ? ? ? 4  ILE A HA   1 
ATOM 60  H HB   . ILE A 1 4  ? -4.525  -4.153 -7.279 1.00 0.00 ? ? ? ? ? ? 4  ILE A HB   1 
ATOM 61  H HG12 . ILE A 1 4  ? -5.313  -6.315 -5.268 1.00 0.00 ? ? ? ? ? ? 4  ILE A HG12 1 
ATOM 62  H HG13 . ILE A 1 4  ? -5.893  -6.069 -6.898 1.00 0.00 ? ? ? ? ? ? 4  ILE A HG13 1 
ATOM 63  H HG21 . ILE A 1 4  ? -2.341  -5.326 -6.746 1.00 0.00 ? ? ? ? ? ? 4  ILE A HG21 1 
ATOM 64  H HG22 . ILE A 1 4  ? -2.360  -3.693 -6.092 1.00 0.00 ? ? ? ? ? ? 4  ILE A HG22 1 
ATOM 65  H HG23 . ILE A 1 4  ? -2.621  -5.074 -5.007 1.00 0.00 ? ? ? ? ? ? 4  ILE A HG23 1 
ATOM 66  H HD11 . ILE A 1 4  ? -3.295  -6.775 -7.521 1.00 0.00 ? ? ? ? ? ? 4  ILE A HD11 1 
ATOM 67  H HD12 . ILE A 1 4  ? -3.373  -7.499 -5.904 1.00 0.00 ? ? ? ? ? ? 4  ILE A HD12 1 
ATOM 68  H HD13 . ILE A 1 4  ? -4.523  -8.012 -7.160 1.00 0.00 ? ? ? ? ? ? 4  ILE A HD13 1 
ATOM 69  N N    . LEU A 1 5  ? -3.368  -1.907 -4.661 1.00 0.00 ? ? ? ? ? ? 5  LEU A N    1 
ATOM 70  C CA   . LEU A 1 5  ? -2.860  -0.556 -4.269 1.00 0.00 ? ? ? ? ? ? 5  LEU A CA   1 
ATOM 71  C C    . LEU A 1 5  ? -3.720  0.247  -3.225 1.00 0.00 ? ? ? ? ? ? 5  LEU A C    1 
ATOM 72  O O    . LEU A 1 5  ? -3.290  1.337  -2.819 1.00 0.00 ? ? ? ? ? ? 5  LEU A O    1 
ATOM 73  C CB   . LEU A 1 5  ? -2.560  0.279  -5.554 1.00 0.00 ? ? ? ? ? ? 5  LEU A CB   1 
ATOM 74  C CG   . LEU A 1 5  ? -2.835  1.807  -5.538 1.00 0.00 ? ? ? ? ? ? 5  LEU A CG   1 
ATOM 75  C CD1  . LEU A 1 5  ? -1.693  2.543  -4.819 1.00 0.00 ? ? ? ? ? ? 5  LEU A CD1  1 
ATOM 76  C CD2  . LEU A 1 5  ? -2.995  2.398  -6.950 1.00 0.00 ? ? ? ? ? ? 5  LEU A CD2  1 
ATOM 77  H H    . LEU A 1 5  ? -2.777  -2.751 -4.582 1.00 0.00 ? ? ? ? ? ? 5  LEU A H    1 
ATOM 78  H HA   . LEU A 1 5  ? -1.887  -0.701 -3.756 1.00 0.00 ? ? ? ? ? ? 5  LEU A HA   1 
ATOM 79  H HB2  . LEU A 1 5  ? -1.477  0.135  -5.793 1.00 0.00 ? ? ? ? ? ? 5  LEU A HB2  1 
ATOM 80  H HB3  . LEU A 1 5  ? -3.088  -0.186 -6.407 1.00 0.00 ? ? ? ? ? ? 5  LEU A HB3  1 
ATOM 81  H HG   . LEU A 1 5  ? -3.770  1.997  -4.971 1.00 0.00 ? ? ? ? ? ? 5  LEU A HG   1 
ATOM 82  H HD11 . LEU A 1 5  ? -1.322  3.400  -5.410 1.00 0.00 ? ? ? ? ? ? 5  LEU A HD11 1 
ATOM 83  H HD12 . LEU A 1 5  ? -2.016  2.952  -3.844 1.00 0.00 ? ? ? ? ? ? 5  LEU A HD12 1 
ATOM 84  H HD13 . LEU A 1 5  ? -0.827  1.882  -4.624 1.00 0.00 ? ? ? ? ? ? 5  LEU A HD13 1 
ATOM 85  H HD21 . LEU A 1 5  ? -4.056  2.451  -7.256 1.00 0.00 ? ? ? ? ? ? 5  LEU A HD21 1 
ATOM 86  H HD22 . LEU A 1 5  ? -2.603  3.430  -7.011 1.00 0.00 ? ? ? ? ? ? 5  LEU A HD22 1 
ATOM 87  H HD23 . LEU A 1 5  ? -2.464  1.801  -7.716 1.00 0.00 ? ? ? ? ? ? 5  LEU A HD23 1 
ATOM 88  N N    . GLN A 1 6  ? -4.853  -0.272 -2.722 1.00 0.00 ? ? ? ? ? ? 6  GLN A N    1 
ATOM 89  C CA   . GLN A 1 6  ? -5.466  0.210  -1.444 1.00 0.00 ? ? ? ? ? ? 6  GLN A CA   1 
ATOM 90  C C    . GLN A 1 6  ? -4.674  -0.216 -0.147 1.00 0.00 ? ? ? ? ? ? 6  GLN A C    1 
ATOM 91  O O    . GLN A 1 6  ? -4.702  0.474  0.871  1.00 0.00 ? ? ? ? ? ? 6  GLN A O    1 
ATOM 92  C CB   . GLN A 1 6  ? -6.961  -0.207 -1.470 1.00 0.00 ? ? ? ? ? ? 6  GLN A CB   1 
ATOM 93  C CG   . GLN A 1 6  ? -7.428  -1.288 -0.419 1.00 0.00 ? ? ? ? ? ? 6  GLN A CG   1 
ATOM 94  C CD   . GLN A 1 6  ? -8.320  -2.374 -1.011 1.00 0.00 ? ? ? ? ? ? 6  GLN A CD   1 
ATOM 95  O OE1  . GLN A 1 6  ? -8.126  -3.568 -0.793 1.00 0.00 ? ? ? ? ? ? 6  GLN A OE1  1 
ATOM 96  N NE2  . GLN A 1 6  ? -9.343  -2.026 -1.746 1.00 0.00 ? ? ? ? ? ? 6  GLN A NE2  1 
ATOM 97  H H    . GLN A 1 6  ? -5.189  -1.118 -3.196 1.00 0.00 ? ? ? ? ? ? 6  GLN A H    1 
ATOM 98  H HA   . GLN A 1 6  ? -5.442  1.317  -1.452 1.00 0.00 ? ? ? ? ? ? 6  GLN A HA   1 
ATOM 99  H HB2  . GLN A 1 6  ? -7.588  0.679  -1.291 1.00 0.00 ? ? ? ? ? ? 6  GLN A HB2  1 
ATOM 100 H HB3  . GLN A 1 6  ? -7.218  -0.633 -2.457 1.00 0.00 ? ? ? ? ? ? 6  GLN A HB3  1 
ATOM 101 H HG2  . GLN A 1 6  ? -6.507  -1.689 0.029  1.00 0.00 ? ? ? ? ? ? 6  GLN A HG2  1 
ATOM 102 H HG3  . GLN A 1 6  ? -7.977  -0.806 0.409  1.00 0.00 ? ? ? ? ? ? 6  GLN A HG3  1 
ATOM 103 H HE21 . GLN A 1 6  ? -9.520  -1.024 -1.841 1.00 0.00 ? ? ? ? ? ? 6  GLN A HE21 1 
ATOM 104 H HE22 . GLN A 1 6  ? -9.935  -2.811 -2.030 1.00 0.00 ? ? ? ? ? ? 6  GLN A HE22 1 
ATOM 105 N N    . LEU A 1 7  ? -3.918  -1.335 -0.205 1.00 0.00 ? ? ? ? ? ? 7  LEU A N    1 
ATOM 106 C CA   . LEU A 1 7  ? -2.838  -1.678 0.769  1.00 0.00 ? ? ? ? ? ? 7  LEU A CA   1 
ATOM 107 C C    . LEU A 1 7  ? -1.453  -2.081 0.143  1.00 0.00 ? ? ? ? ? ? 7  LEU A C    1 
ATOM 108 O O    . LEU A 1 7  ? -0.873  -3.097 0.545  1.00 0.00 ? ? ? ? ? ? 7  LEU A O    1 
ATOM 109 C CB   . LEU A 1 7  ? -3.347  -2.749 1.778  1.00 0.00 ? ? ? ? ? ? 7  LEU A CB   1 
ATOM 110 C CG   . LEU A 1 7  ? -3.034  -2.546 3.286  1.00 0.00 ? ? ? ? ? ? 7  LEU A CG   1 
ATOM 111 C CD1  . LEU A 1 7  ? -1.672  -1.874 3.545  1.00 0.00 ? ? ? ? ? ? 7  LEU A CD1  1 
ATOM 112 C CD2  . LEU A 1 7  ? -4.130  -1.682 3.934  1.00 0.00 ? ? ? ? ? ? 7  LEU A CD2  1 
ATOM 113 H H    . LEU A 1 7  ? -4.120  -1.923 -1.026 1.00 0.00 ? ? ? ? ? ? 7  LEU A H    1 
ATOM 114 H HA   . LEU A 1 7  ? -2.613  -0.767 1.355  1.00 0.00 ? ? ? ? ? ? 7  LEU A HA   1 
ATOM 115 H HB2  . LEU A 1 7  ? -4.445  -2.855 1.647  1.00 0.00 ? ? ? ? ? ? 7  LEU A HB2  1 
ATOM 116 H HB3  . LEU A 1 7  ? -2.944  -3.735 1.470  1.00 0.00 ? ? ? ? ? ? 7  LEU A HB3  1 
ATOM 117 H HG   . LEU A 1 7  ? -3.042  -3.537 3.784  1.00 0.00 ? ? ? ? ? ? 7  LEU A HG   1 
ATOM 118 H HD11 . LEU A 1 7  ? -1.640  -0.842 3.149  1.00 0.00 ? ? ? ? ? ? 7  LEU A HD11 1 
ATOM 119 H HD12 . LEU A 1 7  ? -1.451  -1.795 4.625  1.00 0.00 ? ? ? ? ? ? 7  LEU A HD12 1 
ATOM 120 H HD13 . LEU A 1 7  ? -0.838  -2.431 3.078  1.00 0.00 ? ? ? ? ? ? 7  LEU A HD13 1 
ATOM 121 H HD21 . LEU A 1 7  ? -3.809  -1.273 4.909  1.00 0.00 ? ? ? ? ? ? 7  LEU A HD21 1 
ATOM 122 H HD22 . LEU A 1 7  ? -4.393  -0.813 3.302  1.00 0.00 ? ? ? ? ? ? 7  LEU A HD22 1 
ATOM 123 H HD23 . LEU A 1 7  ? -5.064  -2.249 4.106  1.00 0.00 ? ? ? ? ? ? 7  LEU A HD23 1 
ATOM 124 N N    . ASN A 1 8  ? -0.892  -1.297 -0.790 1.00 0.00 ? ? ? ? ? ? 8  ASN A N    1 
ATOM 125 C CA   . ASN A 1 8  ? 0.483   -1.503 -1.382 1.00 0.00 ? ? ? ? ? ? 8  ASN A CA   1 
ATOM 126 C C    . ASN A 1 8  ? 1.463   -0.250 -1.368 1.00 0.00 ? ? ? ? ? ? 8  ASN A C    1 
ATOM 127 O O    . ASN A 1 8  ? 2.464   -0.182 -2.072 1.00 0.00 ? ? ? ? ? ? 8  ASN A O    1 
ATOM 128 C CB   . ASN A 1 8  ? 0.315   -2.009 -2.837 1.00 0.00 ? ? ? ? ? ? 8  ASN A CB   1 
ATOM 129 C CG   . ASN A 1 8  ? 1.506   -2.466 -3.672 1.00 0.00 ? ? ? ? ? ? 8  ASN A CG   1 
ATOM 130 O OD1  . ASN A 1 8  ? 2.336   -3.252 -3.235 1.00 0.00 ? ? ? ? ? ? 8  ASN A OD1  1 
ATOM 131 N ND2  . ASN A 1 8  ? 1.666   -2.008 -4.891 1.00 0.00 ? ? ? ? ? ? 8  ASN A ND2  1 
ATOM 132 H H    . ASN A 1 8  ? -1.366  -0.416 -0.996 1.00 0.00 ? ? ? ? ? ? 8  ASN A H    1 
ATOM 133 H HA   . ASN A 1 8  ? 0.971   -2.200 -0.691 1.00 0.00 ? ? ? ? ? ? 8  ASN A HA   1 
ATOM 134 H HB2  . ASN A 1 8  ? -0.506  -2.738 -2.913 1.00 0.00 ? ? ? ? ? ? 8  ASN A HB2  1 
ATOM 135 H HB3  . ASN A 1 8  ? -0.118  -1.081 -3.372 1.00 0.00 ? ? ? ? ? ? 8  ASN A HB3  1 
ATOM 136 H HD21 . ASN A 1 8  ? 1.044   -1.242 -5.165 1.00 0.00 ? ? ? ? ? ? 8  ASN A HD21 1 
ATOM 137 H HD22 . ASN A 1 8  ? 2.577   -2.254 -5.286 1.00 0.00 ? ? ? ? ? ? 8  ASN A HD22 1 
ATOM 138 N N    . LEU A 1 9  ? 1.151   0.715  -0.482 1.00 0.00 ? ? ? ? ? ? 9  LEU A N    1 
ATOM 139 C CA   . LEU A 1 9  ? 2.083   1.781  -0.005 1.00 0.00 ? ? ? ? ? ? 9  LEU A CA   1 
ATOM 140 C C    . LEU A 1 9  ? 2.152   1.956  1.562  1.00 0.00 ? ? ? ? ? ? 9  LEU A C    1 
ATOM 141 O O    . LEU A 1 9  ? 2.131   3.067  2.090  1.00 0.00 ? ? ? ? ? ? 9  LEU A O    1 
ATOM 142 C CB   . LEU A 1 9  ? 1.767   3.129  -0.719 1.00 0.00 ? ? ? ? ? ? 9  LEU A CB   1 
ATOM 143 C CG   . LEU A 1 9  ? 2.948   3.896  -1.379 1.00 0.00 ? ? ? ? ? ? 9  LEU A CG   1 
ATOM 144 C CD1  . LEU A 1 9  ? 3.738   2.962  -2.309 1.00 0.00 ? ? ? ? ? ? 9  LEU A CD1  1 
ATOM 145 C CD2  . LEU A 1 9  ? 2.477   5.120  -2.181 1.00 0.00 ? ? ? ? ? ? 9  LEU A CD2  1 
ATOM 146 H H    . LEU A 1 9  ? 0.284   0.522  0.022  1.00 0.00 ? ? ? ? ? ? 9  LEU A H    1 
ATOM 147 H HA   . LEU A 1 9  ? 3.089   1.439  -0.301 1.00 0.00 ? ? ? ? ? ? 9  LEU A HA   1 
ATOM 148 H HB2  . LEU A 1 9  ? 0.998   2.957  -1.497 1.00 0.00 ? ? ? ? ? ? 9  LEU A HB2  1 
ATOM 149 H HB3  . LEU A 1 9  ? 1.265   3.794  0.011  1.00 0.00 ? ? ? ? ? ? 9  LEU A HB3  1 
ATOM 150 H HG   . LEU A 1 9  ? 3.641   4.244  -0.585 1.00 0.00 ? ? ? ? ? ? 9  LEU A HG   1 
ATOM 151 H HD11 . LEU A 1 9  ? 4.597   3.478  -2.773 1.00 0.00 ? ? ? ? ? ? 9  LEU A HD11 1 
ATOM 152 H HD12 . LEU A 1 9  ? 4.152   2.097  -1.758 1.00 0.00 ? ? ? ? ? ? 9  LEU A HD12 1 
ATOM 153 H HD13 . LEU A 1 9  ? 3.112   2.561  -3.130 1.00 0.00 ? ? ? ? ? ? 9  LEU A HD13 1 
ATOM 154 H HD21 . LEU A 1 9  ? 1.992   5.871  -1.532 1.00 0.00 ? ? ? ? ? ? 9  LEU A HD21 1 
ATOM 155 H HD22 . LEU A 1 9  ? 3.319   5.639  -2.674 1.00 0.00 ? ? ? ? ? ? 9  LEU A HD22 1 
ATOM 156 H HD23 . LEU A 1 9  ? 1.749   4.852  -2.970 1.00 0.00 ? ? ? ? ? ? 9  LEU A HD23 1 
ATOM 157 N N    . LYS A 1 10 ? 2.306   0.844  2.313  1.00 0.00 ? ? ? ? ? ? 10 LYS A N    1 
ATOM 158 C CA   . LYS A 1 10 ? 2.777   0.818  3.745  1.00 0.00 ? ? ? ? ? ? 10 LYS A CA   1 
ATOM 159 C C    . LYS A 1 10 ? 4.078   -0.048 4.065  1.00 0.00 ? ? ? ? ? ? 10 LYS A C    1 
ATOM 160 O O    . LYS A 1 10 ? 4.416   -0.329 5.209  1.00 0.00 ? ? ? ? ? ? 10 LYS A O    1 
ATOM 161 C CB   . LYS A 1 10 ? 1.552   0.372  4.579  1.00 0.00 ? ? ? ? ? ? 10 LYS A CB   1 
ATOM 162 C CG   . LYS A 1 10 ? 0.261   1.199  4.440  1.00 0.00 ? ? ? ? ? ? 10 LYS A CG   1 
ATOM 163 C CD   . LYS A 1 10 ? 0.261   2.426  5.374  1.00 0.00 ? ? ? ? ? ? 10 LYS A CD   1 
ATOM 164 C CE   . LYS A 1 10 ? -0.732  3.501  4.912  1.00 0.00 ? ? ? ? ? ? 10 LYS A CE   1 
ATOM 165 N NZ   . LYS A 1 10 ? -1.938  2.851  4.361  1.00 0.00 ? ? ? ? ? ? 10 LYS A NZ   1 
ATOM 166 H H    . LYS A 1 10 ? 2.262   -0.032 1.790  1.00 0.00 ? ? ? ? ? ? 10 LYS A H    1 
ATOM 167 H HA   . LYS A 1 10 ? 3.129   1.844  3.909  1.00 0.00 ? ? ? ? ? ? 10 LYS A HA   1 
ATOM 168 H HB2  . LYS A 1 10 ? 1.358   -0.701 4.238  1.00 0.00 ? ? ? ? ? ? 10 LYS A HB2  1 
ATOM 169 H HB3  . LYS A 1 10 ? 1.813   0.265  5.648  1.00 0.00 ? ? ? ? ? ? 10 LYS A HB3  1 
ATOM 170 H HG2  . LYS A 1 10 ? 0.130   1.537  3.391  1.00 0.00 ? ? ? ? ? ? 10 LYS A HG2  1 
ATOM 171 H HG3  . LYS A 1 10 ? -0.624  0.564  4.655  1.00 0.00 ? ? ? ? ? ? 10 LYS A HG3  1 
ATOM 172 H HD2  . LYS A 1 10 ? 0.014   2.108  6.406  1.00 0.00 ? ? ? ? ? ? 10 LYS A HD2  1 
ATOM 173 H HD3  . LYS A 1 10 ? 1.284   2.849  5.427  1.00 0.00 ? ? ? ? ? ? 10 LYS A HD3  1 
ATOM 174 H HE2  . LYS A 1 10 ? -1.006  4.169  5.753  1.00 0.00 ? ? ? ? ? ? 10 LYS A HE2  1 
ATOM 175 H HE3  . LYS A 1 10 ? -0.269  4.151  4.141  1.00 0.00 ? ? ? ? ? ? 10 LYS A HE3  1 
ATOM 176 H HZ1  . LYS A 1 10 ? -2.592  2.600  5.111  1.00 0.00 ? ? ? ? ? ? 10 LYS A HZ1  1 
ATOM 177 H HZ3  . LYS A 1 10 ? -2.456  3.487  3.743  1.00 0.00 ? ? ? ? ? ? 10 LYS A HZ3  1 
ATOM 178 N N    . GLU A 1 11 ? 4.827   -0.375 2.995  1.00 0.00 ? ? ? ? ? ? 11 GLU A N    1 
ATOM 179 C CA   . GLU A 1 11 ? 6.265   -0.780 3.041  1.00 0.00 ? ? ? ? ? ? 11 GLU A CA   1 
ATOM 180 C C    . GLU A 1 11 ? 7.314   0.362  2.737  1.00 0.00 ? ? ? ? ? ? 11 GLU A C    1 
ATOM 181 O O    . GLU A 1 11 ? 8.511   0.163  2.939  1.00 0.00 ? ? ? ? ? ? 11 GLU A O    1 
ATOM 182 C CB   . GLU A 1 11 ? 6.468   -2.098 2.234  1.00 0.00 ? ? ? ? ? ? 11 GLU A CB   1 
ATOM 183 C CG   . GLU A 1 11 ? 7.922   -2.638 2.144  1.00 0.00 ? ? ? ? ? ? 11 GLU A CG   1 
ATOM 184 C CD   . GLU A 1 11 ? 8.173   -3.841 1.244  1.00 0.00 ? ? ? ? ? ? 11 GLU A CD   1 
ATOM 185 O OE1  . GLU A 1 11 ? 7.603   -4.022 0.171  1.00 0.00 ? ? ? ? ? ? 11 GLU A OE1  1 
ATOM 186 O OE2  . GLU A 1 11 ? 9.126   -4.675 1.740  1.00 0.00 ? ? ? ? ? ? 11 GLU A OE2  1 
ATOM 187 H H    . GLU A 1 11 ? 4.374   -0.136 2.113  1.00 0.00 ? ? ? ? ? ? 11 GLU A H    1 
ATOM 188 H HA   . GLU A 1 11 ? 6.434   -1.015 4.104  1.00 0.00 ? ? ? ? ? ? 11 GLU A HA   1 
ATOM 189 H HB2  . GLU A 1 11 ? 5.803   -2.886 2.645  1.00 0.00 ? ? ? ? ? ? 11 GLU A HB2  1 
ATOM 190 H HB3  . GLU A 1 11 ? 6.093   -1.941 1.204  1.00 0.00 ? ? ? ? ? ? 11 GLU A HB3  1 
ATOM 191 H HG2  . GLU A 1 11 ? 8.598   -1.834 1.806  1.00 0.00 ? ? ? ? ? ? 11 GLU A HG2  1 
ATOM 192 H HG3  . GLU A 1 11 ? 8.276   -2.894 3.155  1.00 0.00 ? ? ? ? ? ? 11 GLU A HG3  1 
ATOM 193 H HE2  . GLU A 1 11 ? 9.264   -5.383 1.110  1.00 0.00 ? ? ? ? ? ? 11 GLU A HE2  1 
ATOM 194 N N    . TYR A 1 12 ? 6.856   1.557  2.330  1.00 0.00 ? ? ? ? ? ? 12 TYR A N    1 
ATOM 195 C CA   . TYR A 1 12 ? 7.592   2.845  2.439  1.00 0.00 ? ? ? ? ? ? 12 TYR A CA   1 
ATOM 196 C C    . TYR A 1 12 ? 8.271   3.054  3.848  1.00 0.00 ? ? ? ? ? ? 12 TYR A C    1 
ATOM 197 O O    . TYR A 1 12 ? 8.520   2.120  4.609  1.00 0.00 ? ? ? ? ? ? 12 TYR A O    1 
ATOM 198 C CB   . TYR A 1 12 ? 6.651   4.050  2.083  1.00 0.00 ? ? ? ? ? ? 12 TYR A CB   1 
ATOM 199 C CG   . TYR A 1 12 ? 7.036   5.003  0.931  1.00 0.00 ? ? ? ? ? ? 12 TYR A CG   1 
ATOM 200 C CD1  . TYR A 1 12 ? 8.379   5.155  0.569  1.00 0.00 ? ? ? ? ? ? 12 TYR A CD1  1 
ATOM 201 C CD2  . TYR A 1 12 ? 6.059   5.741  0.248  1.00 0.00 ? ? ? ? ? ? 12 TYR A CD2  1 
ATOM 202 C CE1  . TYR A 1 12 ? 8.744   6.049  -0.435 1.00 0.00 ? ? ? ? ? ? 12 TYR A CE1  1 
ATOM 203 C CE2  . TYR A 1 12 ? 6.427   6.630  -0.762 1.00 0.00 ? ? ? ? ? ? 12 TYR A CE2  1 
ATOM 204 C CZ   . TYR A 1 12 ? 7.768   6.790  -1.094 1.00 0.00 ? ? ? ? ? ? 12 TYR A CZ   1 
ATOM 205 O OH   . TYR A 1 12 ? 8.128   7.672  -2.075 1.00 0.00 ? ? ? ? ? ? 12 TYR A OH   1 
ATOM 206 H H    . TYR A 1 12 ? 5.925   1.520  1.895  1.00 0.00 ? ? ? ? ? ? 12 TYR A H    1 
ATOM 207 H HA   . TYR A 1 12 ? 8.407   2.867  1.694  1.00 0.00 ? ? ? ? ? ? 12 TYR A HA   1 
ATOM 208 H HB2  . TYR A 1 12 ? 5.634   3.639  1.902  1.00 0.00 ? ? ? ? ? ? 12 TYR A HB2  1 
ATOM 209 H HB3  . TYR A 1 12 ? 6.518   4.667  2.992  1.00 0.00 ? ? ? ? ? ? 12 TYR A HB3  1 
ATOM 210 H HD1  . TYR A 1 12 ? 9.146   4.585  1.074  1.00 0.00 ? ? ? ? ? ? 12 TYR A HD1  1 
ATOM 211 H HD2  . TYR A 1 12 ? 5.016   5.637  0.508  1.00 0.00 ? ? ? ? ? ? 12 TYR A HD2  1 
ATOM 212 H HE1  . TYR A 1 12 ? 9.786   6.162  -0.698 1.00 0.00 ? ? ? ? ? ? 12 TYR A HE1  1 
ATOM 213 H HE2  . TYR A 1 12 ? 5.673   7.205  -1.281 1.00 0.00 ? ? ? ? ? ? 12 TYR A HE2  1 
ATOM 214 H HH   . TYR A 1 12 ? 8.753   8.299  -1.707 1.00 0.00 ? ? ? ? ? ? 12 TYR A HH   1 
ATOM 215 N N    . ASN A 1 13 ? 8.530   4.330  4.230  1.00 0.00 ? ? ? ? ? ? 13 ASN A N    1 
ATOM 216 C CA   . ASN A 1 13 ? 8.865   4.774  5.618  1.00 0.00 ? ? ? ? ? ? 13 ASN A CA   1 
ATOM 217 C C    . ASN A 1 13 ? 8.650   3.728  6.775  1.00 0.00 ? ? ? ? ? ? 13 ASN A C    1 
ATOM 218 O O    . ASN A 1 13 ? 7.626   3.784  7.458  1.00 0.00 ? ? ? ? ? ? 13 ASN A O    1 
ATOM 219 C CB   . ASN A 1 13 ? 8.124   6.111  5.924  1.00 0.00 ? ? ? ? ? ? 13 ASN A CB   1 
ATOM 220 C CG   . ASN A 1 13 ? 8.369   6.785  7.277  1.00 0.00 ? ? ? ? ? ? 13 ASN A CG   1 
ATOM 221 O OD1  . ASN A 1 13 ? 9.405   7.394  7.508  1.00 0.00 ? ? ? ? ? ? 13 ASN A OD1  1 
ATOM 222 N ND2  . ASN A 1 13 ? 7.445   6.749  8.203  1.00 0.00 ? ? ? ? ? ? 13 ASN A ND2  1 
ATOM 223 H H    . ASN A 1 13 ? 8.326   5.006  3.478  1.00 0.00 ? ? ? ? ? ? 13 ASN A H    1 
ATOM 224 H HA   . ASN A 1 13 ? 9.949   4.999  5.646  1.00 0.00 ? ? ? ? ? ? 13 ASN A HA   1 
ATOM 225 H HB2  . ASN A 1 13 ? 8.365   6.850  5.138  1.00 0.00 ? ? ? ? ? ? 13 ASN A HB2  1 
ATOM 226 H HB3  . ASN A 1 13 ? 7.035   5.956  5.823  1.00 0.00 ? ? ? ? ? ? 13 ASN A HB3  1 
ATOM 227 H HD21 . ASN A 1 13 ? 6.533   6.379  7.919  1.00 0.00 ? ? ? ? ? ? 13 ASN A HD21 1 
ATOM 228 H HD22 . ASN A 1 13 ? 7.651   7.373  8.986  1.00 0.00 ? ? ? ? ? ? 13 ASN A HD22 1 
ATOM 229 N N    . LEU A 1 14 ? 9.603   2.808  7.013  1.00 0.00 ? ? ? ? ? ? 14 LEU A N    1 
ATOM 230 C CA   . LEU A 1 14 ? 9.543   1.829  8.143  1.00 0.00 ? ? ? ? ? ? 14 LEU A CA   1 
ATOM 231 C C    . LEU A 1 14 ? 10.928  1.268  8.631  1.00 0.00 ? ? ? ? ? ? 14 LEU A C    1 
ATOM 232 O O    . LEU A 1 14 ? 11.032  0.827  9.778  1.00 0.00 ? ? ? ? ? ? 14 LEU A O    1 
ATOM 233 C CB   . LEU A 1 14 ? 8.551   0.682  7.782  1.00 0.00 ? ? ? ? ? ? 14 LEU A CB   1 
ATOM 234 C CG   . LEU A 1 14 ? 8.675   -0.665 8.547  1.00 0.00 ? ? ? ? ? ? 14 LEU A CG   1 
ATOM 235 C CD1  . LEU A 1 14 ? 7.889   -0.599 9.866  1.00 0.00 ? ? ? ? ? ? 14 LEU A CD1  1 
ATOM 236 C CD2  . LEU A 1 14 ? 8.170   -1.864 7.725  1.00 0.00 ? ? ? ? ? ? 14 LEU A CD2  1 
ATOM 237 H H    . LEU A 1 14 ? 10.353  2.789  6.311  1.00 0.00 ? ? ? ? ? ? 14 LEU A H    1 
ATOM 238 H HA   . LEU A 1 14 ? 9.125   2.350  9.028  1.00 0.00 ? ? ? ? ? ? 14 LEU A HA   1 
ATOM 239 H HB2  . LEU A 1 14 ? 7.520   1.068  7.899  1.00 0.00 ? ? ? ? ? ? 14 LEU A HB2  1 
ATOM 240 H HB3  . LEU A 1 14 ? 8.641   0.471  6.698  1.00 0.00 ? ? ? ? ? ? 14 LEU A HB3  1 
ATOM 241 H HG   . LEU A 1 14 ? 9.742   -0.837 8.798  1.00 0.00 ? ? ? ? ? ? 14 LEU A HG   1 
ATOM 242 H HD11 . LEU A 1 14 ? 6.976   0.018  9.767  1.00 0.00 ? ? ? ? ? ? 14 LEU A HD11 1 
ATOM 243 H HD12 . LEU A 1 14 ? 7.555   -1.599 10.197 1.00 0.00 ? ? ? ? ? ? 14 LEU A HD12 1 
ATOM 244 H HD13 . LEU A 1 14 ? 8.488   -0.166 10.689 1.00 0.00 ? ? ? ? ? ? 14 LEU A HD13 1 
ATOM 245 H HD21 . LEU A 1 14 ? 7.796   -2.678 8.373  1.00 0.00 ? ? ? ? ? ? 14 LEU A HD21 1 
ATOM 246 H HD22 . LEU A 1 14 ? 7.329   -1.585 7.063  1.00 0.00 ? ? ? ? ? ? 14 LEU A HD22 1 
ATOM 247 H HD23 . LEU A 1 14 ? 8.962   -2.295 7.084  1.00 0.00 ? ? ? ? ? ? 14 LEU A HD23 1 
ATOM 248 N N    . VAL A 1 15 ? 11.984  1.297  7.796  1.00 0.00 ? ? ? ? ? ? 15 VAL A N    1 
ATOM 249 C CA   . VAL A 1 15 ? 13.377  0.948  8.215  1.00 0.00 ? ? ? ? ? ? 15 VAL A CA   1 
ATOM 250 C C    . VAL A 1 15 ? 14.294  2.133  7.819  1.00 0.00 ? ? ? ? ? ? 15 VAL A C    1 
ATOM 251 O O    . VAL A 1 15 ? 13.896  3.098  7.161  1.00 0.00 ? ? ? ? ? ? 15 VAL A O    1 
ATOM 252 C CB   . VAL A 1 15 ? 13.808  -0.425 7.584  1.00 0.00 ? ? ? ? ? ? 15 VAL A CB   1 
ATOM 253 C CG1  . VAL A 1 15 ? 15.210  -0.906 8.029  1.00 0.00 ? ? ? ? ? ? 15 VAL A CG1  1 
ATOM 254 C CG2  . VAL A 1 15 ? 12.834  -1.589 7.896  1.00 0.00 ? ? ? ? ? ? 15 VAL A CG2  1 
ATOM 255 H H    . VAL A 1 15 ? 11.757  1.604  6.842  1.00 0.00 ? ? ? ? ? ? 15 VAL A H    1 
ATOM 256 H HA   . VAL A 1 15 ? 13.442  0.849  9.319  1.00 0.00 ? ? ? ? ? ? 15 VAL A HA   1 
ATOM 257 H HB   . VAL A 1 15 ? 13.834  -0.296 6.484  1.00 0.00 ? ? ? ? ? ? 15 VAL A HB   1 
ATOM 258 H HG11 . VAL A 1 15 ? 16.021  -0.368 7.501  1.00 0.00 ? ? ? ? ? ? 15 VAL A HG11 1 
ATOM 259 H HG12 . VAL A 1 15 ? 15.376  -0.773 9.114  1.00 0.00 ? ? ? ? ? ? 15 VAL A HG12 1 
ATOM 260 H HG13 . VAL A 1 15 ? 15.358  -1.983 7.824  1.00 0.00 ? ? ? ? ? ? 15 VAL A HG13 1 
ATOM 261 H HG21 . VAL A 1 15 ? 13.147  -2.536 7.418  1.00 0.00 ? ? ? ? ? ? 15 VAL A HG21 1 
ATOM 262 H HG22 . VAL A 1 15 ? 12.746  -1.777 8.982  1.00 0.00 ? ? ? ? ? ? 15 VAL A HG22 1 
ATOM 263 H HG23 . VAL A 1 15 ? 11.815  -1.377 7.523  1.00 0.00 ? ? ? ? ? ? 15 VAL A HG23 1 
ATOM 264 N N    . NH2 A 1 16 ? 15.684  2.014  8.312  1.00 0.00 ? ? ? ? ? ? 16 NH2 A N    1 
ATOM 265 H HN1  . NH2 A 1 16 ? 15.959  1.206  8.888  1.00 0.00 ? ? ? ? ? ? 16 NH2 A HN1  1 
ATOM 266 H HN2  . NH2 A 1 16 ? 16.377  2.740  8.079  1.00 0.00 ? ? ? ? ? ? 16 NH2 A HN2  1 
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