data_8W16
# 
_entry.id   8W16 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   8W16         pdb_00008w16 10.2210/pdb8w16/pdb 
WWPDB D_1000281611 ?            ?                   
BMRB  31147        ?            10.13018/BMR31147   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-05 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  ? 
_pdbx_database_status.status_code_mr                  . 
_pdbx_database_status.entry_id                        8W16 
_pdbx_database_status.recvd_initial_deposition_date   2024-02-15 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  . 
_pdbx_database_status.status_code_nmr_data            REL 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_database_related.db_name        BMRB 
_pdbx_database_related.details        'Lactam bridge synthetic analogue of RgIA' 
_pdbx_database_related.db_id          31147 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              akello.agwa@gmail.com 
_pdbx_contact_author.name_first         Akello 
_pdbx_contact_author.name_last          Agwa 
_pdbx_contact_author.name_mi            J 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-9295-5071 
# 
_audit_author.name               'Agwa, A.J.' 
_audit_author.pdbx_ordinal       1 
_audit_author.identifier_ORCID   0000-0001-9295-5071 
# 
_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                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'On-resin bicyclization improves synthesis of alpha-conotoxin RgIA4-6' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Giribaldi, J.'   1 0000-0002-4273-3080 
primary 'Agwa, A.J.'      2 0000-0001-9295-5071 
primary 'Schroeder, C.I.' 3 0000-0002-6737-6374 
# 
_entity.id                         1 
_entity.type                       polymer 
_entity.src_method                 syn 
_entity.pdbx_description           'Alpha-conotoxin RgIA' 
_entity.formula_weight             1935.983 
_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       '(PCA)GCCTDPRCR(IYR)QCYK' 
_entity_poly.pdbx_seq_one_letter_code_can   QGCCTDPRCRYQCYK 
_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  PCA n 
1 2  GLY n 
1 3  CYS n 
1 4  CYS n 
1 5  THR n 
1 6  ASP n 
1 7  PRO n 
1 8  ARG n 
1 9  CYS n 
1 10 ARG n 
1 11 IYR n 
1 12 GLN n 
1 13 CYS n 
1 14 TYR n 
1 15 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       15 
_pdbx_entity_src_syn.organism_scientific    'Conus regius' 
_pdbx_entity_src_syn.organism_common_name   'Crown cone' 
_pdbx_entity_src_syn.ncbi_taxonomy_id       101314 
_pdbx_entity_src_syn.details                ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ARG 'L-peptide linking' y ARGININE            ? 'C6 H15 N4 O2 1' 175.209 
ASP 'L-peptide linking' y 'ASPARTIC ACID'     ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE            ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE           ? 'C5 H10 N2 O3'   146.144 
GLY 'peptide linking'   y GLYCINE             ? 'C2 H5 N O2'     75.067  
IYR 'L-peptide linking' n 3-IODO-TYROSINE     ? 'C9 H10 I N O3'  307.085 
LYS 'L-peptide linking' y LYSINE              ? 'C6 H15 N2 O2 1' 147.195 
PCA 'L-peptide linking' n 'PYROGLUTAMIC ACID' ? 'C5 H7 N O3'     129.114 
PRO 'L-peptide linking' y PROLINE             ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE              ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE           ? 'C4 H9 N O3'     119.119 
TYR 'L-peptide linking' y TYROSINE            ? 'C9 H11 N O3'    181.189 
# 
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  PCA 1  1  1  PCA PCA A . n 
A 1 2  GLY 2  2  2  GLY GLY A . n 
A 1 3  CYS 3  3  3  CYS CYS A . n 
A 1 4  CYS 4  4  4  CYS CYS A . n 
A 1 5  THR 5  5  5  THR THR A . n 
A 1 6  ASP 6  6  6  ASP ASP A . n 
A 1 7  PRO 7  7  7  PRO PRO A . n 
A 1 8  ARG 8  8  8  ARG ARG A . n 
A 1 9  CYS 9  9  9  CYS CYS A . n 
A 1 10 ARG 10 10 10 ARG ARG A . n 
A 1 11 IYR 11 11 11 IYR IYR A . n 
A 1 12 GLN 12 12 12 GLN GLN A . n 
A 1 13 CYS 13 13 13 CYS CYS A . n 
A 1 14 TYR 14 14 14 TYR TYR A . n 
A 1 15 LYS 15 15 15 LYS LYS A . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 PCA ? ? PCA ? ? 'SUBJECT OF INVESTIGATION' ? 
2 IYR ? ? IYR ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
_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                   8W16 
_exptl.crystals_number            ? 
_exptl.details                    ? 
_exptl.method                     'SOLUTION NMR' 
_exptl.method_details             ? 
# 
_struct.entry_id                     8W16 
_struct.title                        'Pyroglutamaic acid position 1 synthetic analogue of RgIA' 
_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        8W16 
_struct_keywords.text            'STRUCTURAL PROTEIN' 
_struct_keywords.pdbx_keywords   'STRUCTURAL PROTEIN' 
# 
_struct_asym.id                            A 
_struct_asym.pdbx_blank_PDB_chainid_flag   N 
_struct_asym.pdbx_modified                 N 
_struct_asym.entity_id                     1 
_struct_asym.details                       ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    CA1A_CONRE 
_struct_ref.pdbx_db_accession          P0C1D0 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   RGCCSDPRCRYRCR 
_struct_ref.pdbx_align_begin           19 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8W16 
_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                 14 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P0C1D0 
_struct_ref_seq.db_align_beg                  19 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  32 
_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       14 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 8W16 PCA A 1  ? UNP P0C1D0 ARG 19 conflict         1  1 
1 8W16 THR A 5  ? UNP P0C1D0 SER 23 conflict         5  2 
1 8W16 GLN A 12 ? UNP P0C1D0 ARG 30 conflict         12 3 
1 8W16 TYR A 14 ? UNP P0C1D0 ARG 32 conflict         14 4 
1 8W16 LYS A 15 ? UNP P0C1D0 ?   ?  'expression tag' 15 5 
# 
_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_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'NMR Distance Restraints' 
_pdbx_struct_assembly_auth_evidence.details                'Assembly of PCA not rendering correctly' 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   ? 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       ASP 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        6 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       TYR 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        14 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        ASP 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         6 
_struct_conf.end_auth_comp_id        TYR 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         14 
_struct_conf.pdbx_PDB_helix_class    1 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   9 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ?    ? A CYS 3  SG ? ? ? 1_555 A CYS 9  SG ? ? A CYS 3  A CYS 9  1_555 ? ? ? ? ? ? ? 2.100 ? ? 
disulf2 disulf ?    ? A CYS 4  SG ? ? ? 1_555 A CYS 13 SG ? ? A CYS 4  A CYS 13 1_555 ? ? ? ? ? ? ? 2.003 ? ? 
covale1 covale both ? A PCA 1  C  ? ? ? 1_555 A GLY 2  N  ? ? A PCA 1  A GLY 2  1_555 ? ? ? ? ? ? ? 1.329 ? ? 
covale2 covale both ? A ARG 10 C  ? ? ? 1_555 A IYR 11 N  ? ? A ARG 10 A IYR 11 1_555 ? ? ? ? ? ? ? 1.328 ? ? 
covale3 covale both ? A IYR 11 C  ? ? ? 1_555 A GLN 12 N  ? ? A IYR 11 A GLN 12 1_555 ? ? ? ? ? ? ? 1.329 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 PCA A 1  ? .   . .  . PCA A 1  ? 1_555 .   . .  . .     .  .  GLN 1 PCA 'Pyrrolidone carboxylic acid' 
'Named protein modification' 
2 IYR A 11 ? .   . .  . IYR A 11 ? 1_555 .   . .  . .     .  .  TYR 1 IYR Iodination                    
'Named protein modification' 
3 CYS A 3  ? CYS A 9  ? CYS A 3  ? 1_555 CYS A 9  ? 1_555 SG SG .   . .   None                          'Disulfide bridge' 
4 CYS A 4  ? CYS A 13 ? CYS A 4  ? 1_555 CYS A 13 ? 1_555 SG SG .   . .   None                          'Disulfide bridge' 
# 
_pdbx_entry_details.entry_id                   8W16 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 7  TYR A 14 ? ? -54.07  107.45 
2 16 TYR A 14 ? ? -60.32  98.30  
3 18 IYR A 11 ? ? -57.86  -72.74 
4 18 TYR A 14 ? ? -68.46  91.01  
5 19 IYR A 11 ? ? -55.51  -71.74 
6 20 TYR A 14 ? ? -104.88 59.11  
# 
_pdbx_struct_mod_residue.id               1 
_pdbx_struct_mod_residue.label_asym_id    A 
_pdbx_struct_mod_residue.label_comp_id    IYR 
_pdbx_struct_mod_residue.label_seq_id     11 
_pdbx_struct_mod_residue.auth_asym_id     A 
_pdbx_struct_mod_residue.auth_comp_id     IYR 
_pdbx_struct_mod_residue.auth_seq_id      11 
_pdbx_struct_mod_residue.PDB_ins_code     ? 
_pdbx_struct_mod_residue.parent_comp_id   TYR 
_pdbx_struct_mod_residue.details          'modified residue' 
# 
_pdbx_nmr_ensemble.entry_id                                      8W16 
_pdbx_nmr_ensemble.conformers_calculated_total_number            20 
_pdbx_nmr_ensemble.conformers_submitted_total_number             20 
_pdbx_nmr_ensemble.conformer_selection_criteria                  'all calculated structures submitted' 
_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             8W16 
_pdbx_nmr_representative.conformer_id         1 
_pdbx_nmr_representative.selection_criteria   medoid 
# 
loop_
_pdbx_nmr_sample_details.solution_id 
_pdbx_nmr_sample_details.contents 
_pdbx_nmr_sample_details.solvent_system 
_pdbx_nmr_sample_details.label 
_pdbx_nmr_sample_details.type 
_pdbx_nmr_sample_details.details 
1 '1 mg/mL JG055, 90% H2O/10% D2O' '90% H2O/10% D2O' JG055     solution ? 
2 '1 mg/mL JG055, 100% D2O'        '100% D2O'        JG055-D2O solution ? 
# 
loop_
_pdbx_nmr_exptl_sample.solution_id 
_pdbx_nmr_exptl_sample.component 
_pdbx_nmr_exptl_sample.concentration 
_pdbx_nmr_exptl_sample.concentration_range 
_pdbx_nmr_exptl_sample.concentration_units 
_pdbx_nmr_exptl_sample.isotopic_labeling 
1 JG055 1 ? mg/mL 'natural abundance' 
2 JG055 1 ? mg/mL 'natural abundance' 
# 
_pdbx_nmr_exptl_sample_conditions.conditions_id          1 
_pdbx_nmr_exptl_sample_conditions.temperature            298 
_pdbx_nmr_exptl_sample_conditions.pressure_units         Pa 
_pdbx_nmr_exptl_sample_conditions.pressure               1 
_pdbx_nmr_exptl_sample_conditions.pH                     4 
_pdbx_nmr_exptl_sample_conditions.ionic_strength         na 
_pdbx_nmr_exptl_sample_conditions.details                ? 
_pdbx_nmr_exptl_sample_conditions.ionic_strength_err     ? 
_pdbx_nmr_exptl_sample_conditions.ionic_strength_units   M 
_pdbx_nmr_exptl_sample_conditions.label                  JG055 
_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 
# 
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 2 '2D 1H-13C HSQC' 1 anisotropic 
2 1 1 '2D 1H-15N HSQC' 1 anisotropic 
3 1 1 '2D 1H-1H NOESY' 1 anisotropic 
4 1 1 '2D 1H-1H TOCSY' 1 anisotropic 
# 
_pdbx_nmr_refine.entry_id           8W16 
_pdbx_nmr_refine.method             na 
_pdbx_nmr_refine.details            'no refinement was performed' 
_pdbx_nmr_refine.software_ordinal   2 
# 
loop_
_pdbx_nmr_software.ordinal 
_pdbx_nmr_software.classification 
_pdbx_nmr_software.name 
_pdbx_nmr_software.version 
_pdbx_nmr_software.authors 
1 'data analysis'         'CcpNmr Analysis' ? CCPN                                
2 refinement              CYANA             ? 'Guntert, Mumenthaler and Wuthrich' 
3 processing              TopSpin           ? 'Bruker Biospin'                    
4 'structure calculation' CYANA             ? 'Guntert, Mumenthaler and Wuthrich' 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ARG N    N N N 1   
ARG CA   C N S 2   
ARG C    C N N 3   
ARG O    O N N 4   
ARG CB   C N N 5   
ARG CG   C N N 6   
ARG CD   C N N 7   
ARG NE   N N N 8   
ARG CZ   C N N 9   
ARG NH1  N N N 10  
ARG NH2  N N N 11  
ARG OXT  O N N 12  
ARG H    H N N 13  
ARG H2   H N N 14  
ARG HA   H N N 15  
ARG HB2  H N N 16  
ARG HB3  H N N 17  
ARG HG2  H N N 18  
ARG HG3  H N N 19  
ARG HD2  H N N 20  
ARG HD3  H N N 21  
ARG HE   H N N 22  
ARG HH11 H N N 23  
ARG HH12 H N N 24  
ARG HH21 H N N 25  
ARG HH22 H N N 26  
ARG HXT  H N N 27  
ASP N    N N N 28  
ASP CA   C N S 29  
ASP C    C N N 30  
ASP O    O N N 31  
ASP CB   C N N 32  
ASP CG   C N N 33  
ASP OD1  O N N 34  
ASP OD2  O N N 35  
ASP OXT  O N N 36  
ASP H    H N N 37  
ASP H2   H N N 38  
ASP HA   H N N 39  
ASP HB2  H N N 40  
ASP HB3  H N N 41  
ASP HD2  H N N 42  
ASP HXT  H N N 43  
CYS N    N N N 44  
CYS CA   C N R 45  
CYS C    C N N 46  
CYS O    O N N 47  
CYS CB   C N N 48  
CYS SG   S N N 49  
CYS OXT  O N N 50  
CYS H    H N N 51  
CYS H2   H N N 52  
CYS HA   H N N 53  
CYS HB2  H N N 54  
CYS HB3  H N N 55  
CYS HG   H N N 56  
CYS HXT  H N N 57  
GLN N    N N N 58  
GLN CA   C N S 59  
GLN C    C N N 60  
GLN O    O N N 61  
GLN CB   C N N 62  
GLN CG   C N N 63  
GLN CD   C N N 64  
GLN OE1  O N N 65  
GLN NE2  N N N 66  
GLN OXT  O N N 67  
GLN H    H N N 68  
GLN H2   H N N 69  
GLN HA   H N N 70  
GLN HB2  H N N 71  
GLN HB3  H N N 72  
GLN HG2  H N N 73  
GLN HG3  H N N 74  
GLN HE21 H N N 75  
GLN HE22 H N N 76  
GLN HXT  H N N 77  
GLY N    N N N 78  
GLY CA   C N N 79  
GLY C    C N N 80  
GLY O    O N N 81  
GLY OXT  O N N 82  
GLY H    H N N 83  
GLY H2   H N N 84  
GLY HA2  H N N 85  
GLY HA3  H N N 86  
GLY HXT  H N N 87  
IYR N    N N N 88  
IYR CA   C N S 89  
IYR CB   C N N 90  
IYR CC   C Y N 91  
IYR CD   C Y N 92  
IYR CE   C Y N 93  
IYR IE   I N N 94  
IYR CF   C Y N 95  
IYR OF   O N N 96  
IYR CG   C Y N 97  
IYR CH   C Y N 98  
IYR C    C N N 99  
IYR O    O N N 100 
IYR OXT  O N N 101 
IYR H    H N N 102 
IYR H2   H N N 103 
IYR HA   H N N 104 
IYR HB2  H N N 105 
IYR HB3  H N N 106 
IYR HD   H N N 107 
IYR HF   H N N 108 
IYR HG   H N N 109 
IYR HH   H N N 110 
IYR HXT  H N N 111 
LYS N    N N N 112 
LYS CA   C N S 113 
LYS C    C N N 114 
LYS O    O N N 115 
LYS CB   C N N 116 
LYS CG   C N N 117 
LYS CD   C N N 118 
LYS CE   C N N 119 
LYS NZ   N N N 120 
LYS OXT  O N N 121 
LYS H    H N N 122 
LYS H2   H N N 123 
LYS HA   H N N 124 
LYS HB2  H N N 125 
LYS HB3  H N N 126 
LYS HG2  H N N 127 
LYS HG3  H N N 128 
LYS HD2  H N N 129 
LYS HD3  H N N 130 
LYS HE2  H N N 131 
LYS HE3  H N N 132 
LYS HZ1  H N N 133 
LYS HZ2  H N N 134 
LYS HZ3  H N N 135 
LYS HXT  H N N 136 
PCA N    N N N 137 
PCA CA   C N S 138 
PCA CB   C N N 139 
PCA CG   C N N 140 
PCA CD   C N N 141 
PCA OE   O N N 142 
PCA C    C N N 143 
PCA O    O N N 144 
PCA OXT  O N N 145 
PCA H    H N N 146 
PCA HA   H N N 147 
PCA HB2  H N N 148 
PCA HB3  H N N 149 
PCA HG2  H N N 150 
PCA HG3  H N N 151 
PCA HXT  H N N 152 
PRO N    N N N 153 
PRO CA   C N S 154 
PRO C    C N N 155 
PRO O    O N N 156 
PRO CB   C N N 157 
PRO CG   C N N 158 
PRO CD   C N N 159 
PRO OXT  O N N 160 
PRO H    H N N 161 
PRO HA   H N N 162 
PRO HB2  H N N 163 
PRO HB3  H N N 164 
PRO HG2  H N N 165 
PRO HG3  H N N 166 
PRO HD2  H N N 167 
PRO HD3  H N N 168 
PRO HXT  H N N 169 
SER N    N N N 170 
SER CA   C N S 171 
SER C    C N N 172 
SER O    O N N 173 
SER CB   C N N 174 
SER OG   O N N 175 
SER OXT  O N N 176 
SER H    H N N 177 
SER H2   H N N 178 
SER HA   H N N 179 
SER HB2  H N N 180 
SER HB3  H N N 181 
SER HG   H N N 182 
SER HXT  H N N 183 
THR N    N N N 184 
THR CA   C N S 185 
THR C    C N N 186 
THR O    O N N 187 
THR CB   C N R 188 
THR OG1  O N N 189 
THR CG2  C N N 190 
THR OXT  O N N 191 
THR H    H N N 192 
THR H2   H N N 193 
THR HA   H N N 194 
THR HB   H N N 195 
THR HG1  H N N 196 
THR HG21 H N N 197 
THR HG22 H N N 198 
THR HG23 H N N 199 
THR HXT  H N N 200 
TYR N    N N N 201 
TYR CA   C N S 202 
TYR C    C N N 203 
TYR O    O N N 204 
TYR CB   C N N 205 
TYR CG   C Y N 206 
TYR CD1  C Y N 207 
TYR CD2  C Y N 208 
TYR CE1  C Y N 209 
TYR CE2  C Y N 210 
TYR CZ   C Y N 211 
TYR OH   O N N 212 
TYR OXT  O N N 213 
TYR H    H N N 214 
TYR H2   H N N 215 
TYR HA   H N N 216 
TYR HB2  H N N 217 
TYR HB3  H N N 218 
TYR HD1  H N N 219 
TYR HD2  H N N 220 
TYR HE1  H N N 221 
TYR HE2  H N N 222 
TYR HH   H N N 223 
TYR HXT  H N N 224 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ARG N   CA   sing N N 1   
ARG N   H    sing N N 2   
ARG N   H2   sing N N 3   
ARG CA  C    sing N N 4   
ARG CA  CB   sing N N 5   
ARG CA  HA   sing N N 6   
ARG C   O    doub N N 7   
ARG C   OXT  sing N N 8   
ARG CB  CG   sing N N 9   
ARG CB  HB2  sing N N 10  
ARG CB  HB3  sing N N 11  
ARG CG  CD   sing N N 12  
ARG CG  HG2  sing N N 13  
ARG CG  HG3  sing N N 14  
ARG CD  NE   sing N N 15  
ARG CD  HD2  sing N N 16  
ARG CD  HD3  sing N N 17  
ARG NE  CZ   sing N N 18  
ARG NE  HE   sing N N 19  
ARG CZ  NH1  sing N N 20  
ARG CZ  NH2  doub N N 21  
ARG NH1 HH11 sing N N 22  
ARG NH1 HH12 sing N N 23  
ARG NH2 HH21 sing N N 24  
ARG NH2 HH22 sing N N 25  
ARG OXT HXT  sing N N 26  
ASP N   CA   sing N N 27  
ASP N   H    sing N N 28  
ASP N   H2   sing N N 29  
ASP CA  C    sing N N 30  
ASP CA  CB   sing N N 31  
ASP CA  HA   sing N N 32  
ASP C   O    doub N N 33  
ASP C   OXT  sing N N 34  
ASP CB  CG   sing N N 35  
ASP CB  HB2  sing N N 36  
ASP CB  HB3  sing N N 37  
ASP CG  OD1  doub N N 38  
ASP CG  OD2  sing N N 39  
ASP OD2 HD2  sing N N 40  
ASP OXT HXT  sing N N 41  
CYS N   CA   sing N N 42  
CYS N   H    sing N N 43  
CYS N   H2   sing N N 44  
CYS CA  C    sing N N 45  
CYS CA  CB   sing N N 46  
CYS CA  HA   sing N N 47  
CYS C   O    doub N N 48  
CYS C   OXT  sing N N 49  
CYS CB  SG   sing N N 50  
CYS CB  HB2  sing N N 51  
CYS CB  HB3  sing N N 52  
CYS SG  HG   sing N N 53  
CYS OXT HXT  sing N N 54  
GLN N   CA   sing N N 55  
GLN N   H    sing N N 56  
GLN N   H2   sing N N 57  
GLN CA  C    sing N N 58  
GLN CA  CB   sing N N 59  
GLN CA  HA   sing N N 60  
GLN C   O    doub N N 61  
GLN C   OXT  sing N N 62  
GLN CB  CG   sing N N 63  
GLN CB  HB2  sing N N 64  
GLN CB  HB3  sing N N 65  
GLN CG  CD   sing N N 66  
GLN CG  HG2  sing N N 67  
GLN CG  HG3  sing N N 68  
GLN CD  OE1  doub N N 69  
GLN CD  NE2  sing N N 70  
GLN NE2 HE21 sing N N 71  
GLN NE2 HE22 sing N N 72  
GLN OXT HXT  sing N N 73  
GLY N   CA   sing N N 74  
GLY N   H    sing N N 75  
GLY N   H2   sing N N 76  
GLY CA  C    sing N N 77  
GLY CA  HA2  sing N N 78  
GLY CA  HA3  sing N N 79  
GLY C   O    doub N N 80  
GLY C   OXT  sing N N 81  
GLY OXT HXT  sing N N 82  
IYR N   CA   sing N N 83  
IYR N   H    sing N N 84  
IYR N   H2   sing N N 85  
IYR CA  CB   sing N N 86  
IYR CA  C    sing N N 87  
IYR CA  HA   sing N N 88  
IYR CB  CC   sing N N 89  
IYR CB  HB2  sing N N 90  
IYR CB  HB3  sing N N 91  
IYR CC  CD   doub Y N 92  
IYR CC  CH   sing Y N 93  
IYR CD  CE   sing Y N 94  
IYR CD  HD   sing N N 95  
IYR CE  IE   sing N N 96  
IYR CE  CF   doub Y N 97  
IYR CF  OF   sing N N 98  
IYR CF  CG   sing Y N 99  
IYR OF  HF   sing N N 100 
IYR CG  CH   doub Y N 101 
IYR CG  HG   sing N N 102 
IYR CH  HH   sing N N 103 
IYR C   O    doub N N 104 
IYR C   OXT  sing N N 105 
IYR OXT HXT  sing N N 106 
LYS N   CA   sing N N 107 
LYS N   H    sing N N 108 
LYS N   H2   sing N N 109 
LYS CA  C    sing N N 110 
LYS CA  CB   sing N N 111 
LYS CA  HA   sing N N 112 
LYS C   O    doub N N 113 
LYS C   OXT  sing N N 114 
LYS CB  CG   sing N N 115 
LYS CB  HB2  sing N N 116 
LYS CB  HB3  sing N N 117 
LYS CG  CD   sing N N 118 
LYS CG  HG2  sing N N 119 
LYS CG  HG3  sing N N 120 
LYS CD  CE   sing N N 121 
LYS CD  HD2  sing N N 122 
LYS CD  HD3  sing N N 123 
LYS CE  NZ   sing N N 124 
LYS CE  HE2  sing N N 125 
LYS CE  HE3  sing N N 126 
LYS NZ  HZ1  sing N N 127 
LYS NZ  HZ2  sing N N 128 
LYS NZ  HZ3  sing N N 129 
LYS OXT HXT  sing N N 130 
PCA N   CA   sing N N 131 
PCA N   CD   sing N N 132 
PCA N   H    sing N N 133 
PCA CA  CB   sing N N 134 
PCA CA  C    sing N N 135 
PCA CA  HA   sing N N 136 
PCA CB  CG   sing N N 137 
PCA CB  HB2  sing N N 138 
PCA CB  HB3  sing N N 139 
PCA CG  CD   sing N N 140 
PCA CG  HG2  sing N N 141 
PCA CG  HG3  sing N N 142 
PCA CD  OE   doub N N 143 
PCA C   O    doub N N 144 
PCA C   OXT  sing N N 145 
PCA OXT HXT  sing N N 146 
PRO N   CA   sing N N 147 
PRO N   CD   sing N N 148 
PRO N   H    sing N N 149 
PRO CA  C    sing N N 150 
PRO CA  CB   sing N N 151 
PRO CA  HA   sing N N 152 
PRO C   O    doub N N 153 
PRO C   OXT  sing N N 154 
PRO CB  CG   sing N N 155 
PRO CB  HB2  sing N N 156 
PRO CB  HB3  sing N N 157 
PRO CG  CD   sing N N 158 
PRO CG  HG2  sing N N 159 
PRO CG  HG3  sing N N 160 
PRO CD  HD2  sing N N 161 
PRO CD  HD3  sing N N 162 
PRO OXT HXT  sing N N 163 
SER N   CA   sing N N 164 
SER N   H    sing N N 165 
SER N   H2   sing N N 166 
SER CA  C    sing N N 167 
SER CA  CB   sing N N 168 
SER CA  HA   sing N N 169 
SER C   O    doub N N 170 
SER C   OXT  sing N N 171 
SER CB  OG   sing N N 172 
SER CB  HB2  sing N N 173 
SER CB  HB3  sing N N 174 
SER OG  HG   sing N N 175 
SER OXT HXT  sing N N 176 
THR N   CA   sing N N 177 
THR N   H    sing N N 178 
THR N   H2   sing N N 179 
THR CA  C    sing N N 180 
THR CA  CB   sing N N 181 
THR CA  HA   sing N N 182 
THR C   O    doub N N 183 
THR C   OXT  sing N N 184 
THR CB  OG1  sing N N 185 
THR CB  CG2  sing N N 186 
THR CB  HB   sing N N 187 
THR OG1 HG1  sing N N 188 
THR CG2 HG21 sing N N 189 
THR CG2 HG22 sing N N 190 
THR CG2 HG23 sing N N 191 
THR OXT HXT  sing N N 192 
TYR N   CA   sing N N 193 
TYR N   H    sing N N 194 
TYR N   H2   sing N N 195 
TYR CA  C    sing N N 196 
TYR CA  CB   sing N N 197 
TYR CA  HA   sing N N 198 
TYR C   O    doub N N 199 
TYR C   OXT  sing N N 200 
TYR CB  CG   sing N N 201 
TYR CB  HB2  sing N N 202 
TYR CB  HB3  sing N N 203 
TYR CG  CD1  doub Y N 204 
TYR CG  CD2  sing Y N 205 
TYR CD1 CE1  sing Y N 206 
TYR CD1 HD1  sing N N 207 
TYR CD2 CE2  doub Y N 208 
TYR CD2 HD2  sing N N 209 
TYR CE1 CZ   doub Y N 210 
TYR CE1 HE1  sing N N 211 
TYR CE2 CZ   sing Y N 212 
TYR CE2 HE2  sing N N 213 
TYR CZ  OH   sing N N 214 
TYR OH  HH   sing N N 215 
TYR OXT HXT  sing N N 216 
# 
_pdbx_audit_support.funding_organization   'F. Hoffmann-La Roche LTD' 
_pdbx_audit_support.country                Switzerland 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_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    500 
_pdbx_nmr_spectrometer.details           ? 
# 
_atom_sites.entry_id                    8W16 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_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 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
H 
I 
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    . PCA A 1 1  ? 1.329   0.000   0.000  1.00 11.13 ?  1  PCA A N    1  
HETATM 2    C CA   . PCA A 1 1  ? 2.109   0.000   -1.268 1.00 24.44 ?  1  PCA A CA   1  
HETATM 3    C CB   . PCA A 1 1  ? 3.482   0.529   -0.829 1.00 44.42 ?  1  PCA A CB   1  
HETATM 4    C CG   . PCA A 1 1  ? 3.610   0.075   0.631  1.00 33.24 ?  1  PCA A CG   1  
HETATM 5    C CD   . PCA A 1 1  ? 2.180   0.000   1.133  1.00 11.24 ?  1  PCA A CD   1  
HETATM 6    O OE   . PCA A 1 1  ? 1.810   -0.065  2.289  1.00 22.43 ?  1  PCA A OE   1  
HETATM 7    C C    . PCA A 1 1  ? 2.205   -1.422  -1.875 1.00 35.00 ?  1  PCA A C    1  
HETATM 8    O O    . PCA A 1 1  ? 2.023   -1.607  -3.078 1.00 53.44 ?  1  PCA A O    1  
HETATM 9    H HA   . PCA A 1 1  ? 1.601   0.653   -1.981 1.00 63.24 ?  1  PCA A HA   1  
HETATM 10   H HB2  . PCA A 1 1  ? 4.276   0.140   -1.469 1.00 51.22 ?  1  PCA A HB2  1  
HETATM 11   H HB3  . PCA A 1 1  ? 3.480   1.618   -0.890 1.00 62.35 ?  1  PCA A HB3  1  
HETATM 12   H HG2  . PCA A 1 1  ? 4.046   -0.927  0.707  1.00 32.34 ?  1  PCA A HG2  1  
HETATM 13   H HG3  . PCA A 1 1  ? 4.193   0.745   1.271  1.00 1.32  ?  1  PCA A HG3  1  
ATOM   14   N N    . GLY A 1 2  ? 2.490   -2.405  -1.027 1.00 41.40 ?  2  GLY A N    1  
ATOM   15   C CA   . GLY A 1 2  ? 2.603   -3.775  -1.490 1.00 31.12 ?  2  GLY A CA   1  
ATOM   16   C C    . GLY A 1 2  ? 1.424   -4.629  -1.069 1.00 64.33 ?  2  GLY A C    1  
ATOM   17   O O    . GLY A 1 2  ? 0.648   -5.087  -1.909 1.00 60.30 ?  2  GLY A O    1  
ATOM   18   H H    . GLY A 1 2  ? 2.624   -2.198  -0.078 1.00 2.33  ?  2  GLY A H    1  
ATOM   19   H HA2  . GLY A 1 2  ? 2.668   -3.775  -2.568 1.00 1.55  ?  2  GLY A HA2  1  
ATOM   20   H HA3  . GLY A 1 2  ? 3.507   -4.206  -1.086 1.00 61.12 ?  2  GLY A HA3  1  
ATOM   21   N N    . CYS A 1 3  ? 1.289   -4.847  0.235  1.00 5.34  ?  3  CYS A N    1  
ATOM   22   C CA   . CYS A 1 3  ? 0.197   -5.654  0.767  1.00 74.31 ?  3  CYS A CA   1  
ATOM   23   C C    . CYS A 1 3  ? -1.057  -4.808  0.965  1.00 50.31 ?  3  CYS A C    1  
ATOM   24   O O    . CYS A 1 3  ? -2.177  -5.281  0.764  1.00 54.34 ?  3  CYS A O    1  
ATOM   25   C CB   . CYS A 1 3  ? 0.609   -6.295  2.094  1.00 62.42 ?  3  CYS A CB   1  
ATOM   26   S SG   . CYS A 1 3  ? -0.182  -7.903  2.419  1.00 34.43 ?  3  CYS A SG   1  
ATOM   27   H H    . CYS A 1 3  ? 1.940   -4.456  0.855  1.00 52.12 ?  3  CYS A H    1  
ATOM   28   H HA   . CYS A 1 3  ? -0.018  -6.433  0.052  1.00 31.55 ?  3  CYS A HA   1  
ATOM   29   H HB2  . CYS A 1 3  ? 1.678   -6.449  2.094  1.00 65.14 ?  3  CYS A HB2  1  
ATOM   30   H HB3  . CYS A 1 3  ? 0.346   -5.629  2.903  1.00 35.30 ?  3  CYS A HB3  1  
ATOM   31   N N    . CYS A 1 4  ? -0.863  -3.555  1.361  1.00 4.35  ?  4  CYS A N    1  
ATOM   32   C CA   . CYS A 1 4  ? -1.977  -2.642  1.587  1.00 71.11 ?  4  CYS A CA   1  
ATOM   33   C C    . CYS A 1 4  ? -2.897  -2.595  0.370  1.00 22.25 ?  4  CYS A C    1  
ATOM   34   O O    . CYS A 1 4  ? -4.108  -2.412  0.499  1.00 50.41 ?  4  CYS A O    1  
ATOM   35   C CB   . CYS A 1 4  ? -1.458  -1.238  1.902  1.00 32.54 ?  4  CYS A CB   1  
ATOM   36   S SG   . CYS A 1 4  ? -2.457  -0.334  3.128  1.00 53.23 ?  4  CYS A SG   1  
ATOM   37   H H    . CYS A 1 4  ? 0.053   -3.235  1.505  1.00 63.22 ?  4  CYS A H    1  
ATOM   38   H HA   . CYS A 1 4  ? -2.539  -3.007  2.433  1.00 41.04 ?  4  CYS A HA   1  
ATOM   39   H HB2  . CYS A 1 4  ? -0.452  -1.314  2.291  1.00 64.22 ?  4  CYS A HB2  1  
ATOM   40   H HB3  . CYS A 1 4  ? -1.444  -0.655  0.994  1.00 55.24 ?  4  CYS A HB3  1  
ATOM   41   N N    . THR A 1 5  ? -2.313  -2.760  -0.813 1.00 33.14 ?  5  THR A N    1  
ATOM   42   C CA   . THR A 1 5  ? -3.079  -2.735  -2.053 1.00 53.20 ?  5  THR A CA   1  
ATOM   43   C C    . THR A 1 5  ? -3.970  -3.966  -2.173 1.00 2.14  ?  5  THR A C    1  
ATOM   44   O O    . THR A 1 5  ? -5.044  -3.910  -2.773 1.00 45.33 ?  5  THR A O    1  
ATOM   45   C CB   . THR A 1 5  ? -2.154  -2.663  -3.283 1.00 34.35 ?  5  THR A CB   1  
ATOM   46   O OG1  . THR A 1 5  ? -1.247  -3.772  -3.280 1.00 72.22 ?  5  THR A OG1  1  
ATOM   47   C CG2  . THR A 1 5  ? -1.369  -1.360  -3.294 1.00 23.04 ?  5  THR A CG2  1  
ATOM   48   H H    . THR A 1 5  ? -1.344  -2.901  -0.851 1.00 60.31 ?  5  THR A H    1  
ATOM   49   H HA   . THR A 1 5  ? -3.700  -1.851  -2.044 1.00 24.12 ?  5  THR A HA   1  
ATOM   50   H HB   . THR A 1 5  ? -2.762  -2.708  -4.175 1.00 23.31 ?  5  THR A HB   1  
ATOM   51   H HG1  . THR A 1 5  ? -1.153  -4.111  -4.173 1.00 50.44 ?  5  THR A HG1  1  
ATOM   52   H HG21 . THR A 1 5  ? -2.040  -0.534  -3.114 1.00 45.03 ?  5  THR A HG21 1  
ATOM   53   H HG22 . THR A 1 5  ? -0.615  -1.387  -2.520 1.00 42.20 ?  5  THR A HG22 1  
ATOM   54   H HG23 . THR A 1 5  ? -0.893  -1.235  -4.255 1.00 23.13 ?  5  THR A HG23 1  
ATOM   55   N N    . ASP A 1 6  ? -3.520  -5.075  -1.599 1.00 3.10  ?  6  ASP A N    1  
ATOM   56   C CA   . ASP A 1 6  ? -4.279  -6.320  -1.640 1.00 50.31 ?  6  ASP A CA   1  
ATOM   57   C C    . ASP A 1 6  ? -5.487  -6.251  -0.711 1.00 20.41 ?  6  ASP A C    1  
ATOM   58   O O    . ASP A 1 6  ? -5.487  -5.542  0.295  1.00 44.31 ?  6  ASP A O    1  
ATOM   59   C CB   . ASP A 1 6  ? -3.386  -7.499  -1.250 1.00 73.24 ?  6  ASP A CB   1  
ATOM   60   C CG   . ASP A 1 6  ? -2.558  -8.008  -2.413 1.00 24.01 ?  6  ASP A CG   1  
ATOM   61   O OD1  . ASP A 1 6  ? -1.634  -8.814  -2.176 1.00 3.32  ?  6  ASP A OD1  1  
ATOM   62   O OD2  . ASP A 1 6  ? -2.835  -7.602  -3.561 1.00 15.43 -1 6  ASP A OD2  1  
ATOM   63   H H    . ASP A 1 6  ? -2.656  -5.057  -1.135 1.00 22.03 ?  6  ASP A H    1  
ATOM   64   H HA   . ASP A 1 6  ? -4.626  -6.463  -2.652 1.00 52.23 ?  6  ASP A HA   1  
ATOM   65   H HB2  . ASP A 1 6  ? -2.715  -7.189  -0.463 1.00 62.22 ?  6  ASP A HB2  1  
ATOM   66   H HB3  . ASP A 1 6  ? -4.006  -8.308  -0.891 1.00 75.25 ?  6  ASP A HB3  1  
ATOM   67   N N    . PRO A 1 7  ? -6.542  -7.004  -1.056 1.00 4.05  ?  7  PRO A N    1  
ATOM   68   C CA   . PRO A 1 7  ? -7.777  -7.045  -0.267 1.00 44.51 ?  7  PRO A CA   1  
ATOM   69   C C    . PRO A 1 7  ? -7.586  -7.751  1.071  1.00 2.22  ?  7  PRO A C    1  
ATOM   70   O O    . PRO A 1 7  ? -8.038  -7.267  2.109  1.00 33.15 ?  7  PRO A O    1  
ATOM   71   C CB   . PRO A 1 7  ? -8.740  -7.835  -1.156 1.00 22.34 ?  7  PRO A CB   1  
ATOM   72   C CG   . PRO A 1 7  ? -7.860  -8.678  -2.012 1.00 41.54 ?  7  PRO A CG   1  
ATOM   73   C CD   . PRO A 1 7  ? -6.612  -7.873  -2.243 1.00 33.00 ?  7  PRO A CD   1  
ATOM   74   H HA   . PRO A 1 7  ? -8.172  -6.054  -0.096 1.00 64.43 ?  7  PRO A HA   1  
ATOM   75   H HB2  . PRO A 1 7  ? -9.390  -8.440  -0.539 1.00 50.11 ?  7  PRO A HB2  1  
ATOM   76   H HB3  . PRO A 1 7  ? -9.331  -7.152  -1.748 1.00 12.35 ?  7  PRO A HB3  1  
ATOM   77   H HG2  . PRO A 1 7  ? -7.624  -9.599  -1.501 1.00 2.22  ?  7  PRO A HG2  1  
ATOM   78   H HG3  . PRO A 1 7  ? -8.351  -8.885  -2.952 1.00 75.12 ?  7  PRO A HG3  1  
ATOM   79   H HD2  . PRO A 1 7  ? -5.749  -8.521  -2.297 1.00 2.45  ?  7  PRO A HD2  1  
ATOM   80   H HD3  . PRO A 1 7  ? -6.702  -7.286  -3.145 1.00 65.12 ?  7  PRO A HD3  1  
ATOM   81   N N    . ARG A 1 8  ? -6.914  -8.897  1.040  1.00 31.05 ?  8  ARG A N    1  
ATOM   82   C CA   . ARG A 1 8  ? -6.665  -9.670  2.250  1.00 53.43 ?  8  ARG A CA   1  
ATOM   83   C C    . ARG A 1 8  ? -5.936  -8.828  3.293  1.00 65.42 ?  8  ARG A C    1  
ATOM   84   O O    . ARG A 1 8  ? -6.179  -8.958  4.493  1.00 24.44 ?  8  ARG A O    1  
ATOM   85   C CB   . ARG A 1 8  ? -5.844  -10.919 1.923  1.00 63.11 ?  8  ARG A CB   1  
ATOM   86   C CG   . ARG A 1 8  ? -6.684  -12.095 1.454  1.00 71.54 ?  8  ARG A CG   1  
ATOM   87   C CD   . ARG A 1 8  ? -7.364  -12.795 2.620  1.00 24.33 ?  8  ARG A CD   1  
ATOM   88   N NE   . ARG A 1 8  ? -6.436  -13.640 3.367  1.00 70.34 ?  8  ARG A NE   1  
ATOM   89   C CZ   . ARG A 1 8  ? -6.648  -14.040 4.616  1.00 35.53 ?  8  ARG A CZ   1  
ATOM   90   N NH1  . ARG A 1 8  ? -7.751  -13.673 5.255  1.00 63.04 1  8  ARG A NH1  1  
ATOM   91   N NH2  . ARG A 1 8  ? -5.756  -14.808 5.229  1.00 10.15 ?  8  ARG A NH2  1  
ATOM   92   H H    . ARG A 1 8  ? -6.579  -9.232  0.181  1.00 64.21 ?  8  ARG A H    1  
ATOM   93   H HA   . ARG A 1 8  ? -7.619  -9.974  2.653  1.00 73.52 ?  8  ARG A HA   1  
ATOM   94   H HB2  . ARG A 1 8  ? -5.136  -10.677 1.144  1.00 61.45 ?  8  ARG A HB2  1  
ATOM   95   H HB3  . ARG A 1 8  ? -5.303  -11.221 2.808  1.00 40.11 ?  8  ARG A HB3  1  
ATOM   96   H HG2  . ARG A 1 8  ? -7.442  -11.735 0.774  1.00 53.32 ?  8  ARG A HG2  1  
ATOM   97   H HG3  . ARG A 1 8  ? -6.046  -12.801 0.944  1.00 30.32 ?  8  ARG A HG3  1  
ATOM   98   H HD2  . ARG A 1 8  ? -7.769  -12.047 3.285  1.00 53.54 ?  8  ARG A HD2  1  
ATOM   99   H HD3  . ARG A 1 8  ? -8.166  -13.408 2.237  1.00 33.33 ?  8  ARG A HD3  1  
ATOM   100  H HE   . ARG A 1 8  ? -5.614  -13.923 2.914  1.00 23.04 ?  8  ARG A HE   1  
ATOM   101  H HH11 . ARG A 1 8  ? -8.425  -13.095 4.795  1.00 14.24 ?  8  ARG A HH11 1  
ATOM   102  H HH12 . ARG A 1 8  ? -7.909  -13.976 6.195  1.00 53.33 ?  8  ARG A HH12 1  
ATOM   103  H HH21 . ARG A 1 8  ? -4.924  -15.086 4.751  1.00 72.15 ?  8  ARG A HH21 1  
ATOM   104  H HH22 . ARG A 1 8  ? -5.917  -15.108 6.169  1.00 51.31 ?  8  ARG A HH22 1  
ATOM   105  N N    . CYS A 1 9  ? -5.040  -7.964  2.826  1.00 23.53 ?  9  CYS A N    1  
ATOM   106  C CA   . CYS A 1 9  ? -4.274  -7.100  3.717  1.00 21.11 ?  9  CYS A CA   1  
ATOM   107  C C    . CYS A 1 9  ? -5.028  -5.804  3.999  1.00 22.01 ?  9  CYS A C    1  
ATOM   108  O O    . CYS A 1 9  ? -4.923  -5.236  5.086  1.00 24.12 ?  9  CYS A O    1  
ATOM   109  C CB   . CYS A 1 9  ? -2.907  -6.786  3.105  1.00 13.23 ?  9  CYS A CB   1  
ATOM   110  S SG   . CYS A 1 9  ? -1.504  -7.520  4.005  1.00 54.11 ?  9  CYS A SG   1  
ATOM   111  H H    . CYS A 1 9  ? -4.890  -7.906  1.859  1.00 40.33 ?  9  CYS A H    1  
ATOM   112  H HA   . CYS A 1 9  ? -4.130  -7.628  4.648  1.00 20.44 ?  9  CYS A HA   1  
ATOM   113  H HB2  . CYS A 1 9  ? -2.880  -7.161  2.093  1.00 24.41 ?  9  CYS A HB2  1  
ATOM   114  H HB3  . CYS A 1 9  ? -2.766  -5.715  3.091  1.00 71.44 ?  9  CYS A HB3  1  
ATOM   115  N N    . ARG A 1 10 ? -5.789  -5.342  3.012  1.00 3.34  ?  10 ARG A N    1  
ATOM   116  C CA   . ARG A 1 10 ? -6.560  -4.112  3.152  1.00 22.50 ?  10 ARG A CA   1  
ATOM   117  C C    . ARG A 1 10 ? -7.391  -4.136  4.432  1.00 41.43 ?  10 ARG A C    1  
ATOM   118  O O    . ARG A 1 10 ? -7.579  -3.107  5.079  1.00 53.40 ?  10 ARG A O    1  
ATOM   119  C CB   . ARG A 1 10 ? -7.473  -3.917  1.941  1.00 31.33 ?  10 ARG A CB   1  
ATOM   120  C CG   . ARG A 1 10 ? -8.329  -2.663  2.020  1.00 21.23 ?  10 ARG A CG   1  
ATOM   121  C CD   . ARG A 1 10 ? -9.165  -2.479  0.763  1.00 41.14 ?  10 ARG A CD   1  
ATOM   122  N NE   . ARG A 1 10 ? -8.345  -2.474  -0.445 1.00 43.11 ?  10 ARG A NE   1  
ATOM   123  C CZ   . ARG A 1 10 ? -7.545  -1.470  -0.786 1.00 63.03 ?  10 ARG A CZ   1  
ATOM   124  N NH1  . ARG A 1 10 ? -7.459  -0.395  -0.014 1.00 13.21 1  10 ARG A NH1  1  
ATOM   125  N NH2  . ARG A 1 10 ? -6.829  -1.539  -1.901 1.00 73.00 ?  10 ARG A NH2  1  
ATOM   126  H H    . ARG A 1 10 ? -5.832  -5.839  2.168  1.00 4.50  ?  10 ARG A H    1  
ATOM   127  H HA   . ARG A 1 10 ? -5.864  -3.288  3.204  1.00 22.35 ?  10 ARG A HA   1  
ATOM   128  H HB2  . ARG A 1 10 ? -6.864  -3.854  1.051  1.00 62.12 ?  10 ARG A HB2  1  
ATOM   129  H HB3  . ARG A 1 10 ? -8.130  -4.770  1.859  1.00 64.12 ?  10 ARG A HB3  1  
ATOM   130  H HG2  . ARG A 1 10 ? -8.990  -2.742  2.870  1.00 70.13 ?  10 ARG A HG2  1  
ATOM   131  H HG3  . ARG A 1 10 ? -7.684  -1.805  2.141  1.00 3.04  ?  10 ARG A HG3  1  
ATOM   132  H HD2  . ARG A 1 10 ? -9.877  -3.289  0.700  1.00 75.31 ?  10 ARG A HD2  1  
ATOM   133  H HD3  . ARG A 1 10 ? -9.694  -1.540  0.833  1.00 15.42 ?  10 ARG A HD3  1  
ATOM   134  H HE   . ARG A 1 10 ? -8.393  -3.258  -1.030 1.00 22.23 ?  10 ARG A HE   1  
ATOM   135  H HH11 . ARG A 1 10 ? -7.996  -0.341  0.828  1.00 73.23 ?  10 ARG A HH11 1  
ATOM   136  H HH12 . ARG A 1 10 ? -6.855  0.359   -0.272 1.00 55.15 ?  10 ARG A HH12 1  
ATOM   137  H HH21 . ARG A 1 10 ? -6.892  -2.347  -2.485 1.00 54.34 ?  10 ARG A HH21 1  
ATOM   138  H HH22 . ARG A 1 10 ? -6.228  -0.782  -2.156 1.00 52.33 ?  10 ARG A HH22 1  
HETATM 139  N N    . IYR A 1 11 ? -7.886  -5.316  4.788  1.00 4.14  ?  11 IYR A N    1  
HETATM 140  C CA   . IYR A 1 11 ? -8.700  -5.474  5.992  1.00 0.21  ?  11 IYR A CA   1  
HETATM 141  C CB   . IYR A 1 11 ? -9.059  -6.973  6.254  1.00 41.10 ?  11 IYR A CB   1  
HETATM 142  C CC   . IYR A 1 11 ? -10.360 -7.391  5.602  1.00 75.23 ?  11 IYR A CC   1  
HETATM 143  C CD   . IYR A 1 11 ? -10.556 -7.213  4.229  1.00 61.33 ?  11 IYR A CD   1  
HETATM 144  C CE   . IYR A 1 11 ? -11.746 -7.606  3.620  1.00 42.44 ?  11 IYR A CE   1  
HETATM 145  I IE   . IYR A 1 11 ? -11.993 -7.311  1.497  1.00 44.41 ?  11 IYR A IE   1  
HETATM 146  C CF   . IYR A 1 11 ? -12.780 -8.193  4.361  1.00 74.31 ?  11 IYR A CF   1  
HETATM 147  O OF   . IYR A 1 11 ? -13.993 -8.611  3.857  1.00 52.10 ?  11 IYR A OF   1  
HETATM 148  C CG   . IYR A 1 11 ? -12.577 -8.370  5.739  1.00 73.43 ?  11 IYR A CG   1  
HETATM 149  C CH   . IYR A 1 11 ? -11.393 -7.980  6.349  1.00 10.04 ?  11 IYR A CH   1  
HETATM 150  C C    . IYR A 1 11 ? -7.828  -4.980  7.163  1.00 25.12 ?  11 IYR A C    1  
HETATM 151  O O    . IYR A 1 11 ? -8.262  -4.155  7.967  1.00 74.52 ?  11 IYR A O    1  
HETATM 152  H H    . IYR A 1 11 ? -7.701  -6.101  4.230  1.00 14.32 ?  11 IYR A H    1  
HETATM 153  H HA   . IYR A 1 11 ? -9.611  -4.881  5.876  1.00 72.33 ?  11 IYR A HA   1  
HETATM 154  H HB2  . IYR A 1 11 ? -8.231  -7.578  5.868  1.00 11.51 ?  11 IYR A HB2  1  
HETATM 155  H HB3  . IYR A 1 11 ? -9.111  -7.128  7.337  1.00 60.32 ?  11 IYR A HB3  1  
HETATM 156  H HD   . IYR A 1 11 ? -9.777  -6.753  3.631  1.00 22.10 ?  11 IYR A HD   1  
HETATM 157  H HF   . IYR A 1 11 ? -14.006 -8.558  2.861  1.00 73.54 ?  11 IYR A HF   1  
HETATM 158  H HG   . IYR A 1 11 ? -13.382 -8.820  6.308  1.00 11.24 ?  11 IYR A HG   1  
HETATM 159  H HH   . IYR A 1 11 ? -11.266 -8.128  7.415  1.00 13.23 ?  11 IYR A HH   1  
ATOM   160  N N    . GLN A 1 12 ? -6.605  -5.494  7.241  1.00 64.22 ?  12 GLN A N    1  
ATOM   161  C CA   . GLN A 1 12 ? -5.681  -5.109  8.302  1.00 44.33 ?  12 GLN A CA   1  
ATOM   162  C C    . GLN A 1 12 ? -5.289  -3.641  8.176  1.00 33.45 ?  12 GLN A C    1  
ATOM   163  O O    . GLN A 1 12 ? -5.225  -2.917  9.170  1.00 13.21 ?  12 GLN A O    1  
ATOM   164  C CB   . GLN A 1 12 ? -4.430  -5.988  8.262  1.00 31.21 ?  12 GLN A CB   1  
ATOM   165  C CG   . GLN A 1 12 ? -4.558  -7.265  9.077  1.00 72.54 ?  12 GLN A CG   1  
ATOM   166  C CD   . GLN A 1 12 ? -4.192  -7.066  10.534 1.00 2.41  ?  12 GLN A CD   1  
ATOM   167  O OE1  . GLN A 1 12 ? -3.717  -6.000  10.927 1.00 4.14  ?  12 GLN A OE1  1  
ATOM   168  N NE2  . GLN A 1 12 ? -4.411  -8.095  11.345 1.00 42.44 ?  12 GLN A NE2  1  
ATOM   169  H H    . GLN A 1 12 ? -6.317  -6.147  6.570  1.00 63.03 ?  12 GLN A H    1  
ATOM   170  H HA   . GLN A 1 12 ? -6.183  -5.255  9.246  1.00 74.14 ?  12 GLN A HA   1  
ATOM   171  H HB2  . GLN A 1 12 ? -4.228  -6.259  7.236  1.00 65.51 ?  12 GLN A HB2  1  
ATOM   172  H HB3  . GLN A 1 12 ? -3.595  -5.423  8.648  1.00 55.52 ?  12 GLN A HB3  1  
ATOM   173  H HG2  . GLN A 1 12 ? -5.579  -7.611  9.022  1.00 33.31 ?  12 GLN A HG2  1  
ATOM   174  H HG3  . GLN A 1 12 ? -3.903  -8.013  8.654  1.00 2.55  ?  12 GLN A HG3  1  
ATOM   175  H HE21 . GLN A 1 12 ? -4.791  -8.914  10.962 1.00 20.44 ?  12 GLN A HE21 1  
ATOM   176  H HE22 . GLN A 1 12 ? -4.183  -7.994  12.292 1.00 41.34 ?  12 GLN A HE22 1  
ATOM   177  N N    . CYS A 1 13 ? -5.027  -3.206  6.948  1.00 25.25 ?  13 CYS A N    1  
ATOM   178  C CA   . CYS A 1 13 ? -4.640  -1.824  6.692  1.00 24.34 ?  13 CYS A CA   1  
ATOM   179  C C    . CYS A 1 13 ? -5.723  -0.859  7.166  1.00 61.23 ?  13 CYS A C    1  
ATOM   180  O O    . CYS A 1 13 ? -5.427  0.240   7.637  1.00 1.13  ?  13 CYS A O    1  
ATOM   181  C CB   . CYS A 1 13 ? -4.374  -1.616  5.199  1.00 11.44 ?  13 CYS A CB   1  
ATOM   182  S SG   . CYS A 1 13 ? -2.610  -1.468  4.772  1.00 70.22 ?  13 CYS A SG   1  
ATOM   183  H H    . CYS A 1 13 ? -5.095  -3.831  6.195  1.00 70.11 ?  13 CYS A H    1  
ATOM   184  H HA   . CYS A 1 13 ? -3.733  -1.626  7.241  1.00 71.43 ?  13 CYS A HA   1  
ATOM   185  H HB2  . CYS A 1 13 ? -4.775  -2.455  4.649  1.00 64.53 ?  13 CYS A HB2  1  
ATOM   186  H HB3  . CYS A 1 13 ? -4.868  -0.711  4.876  1.00 23.34 ?  13 CYS A HB3  1  
ATOM   187  N N    . TYR A 1 14 ? -6.977  -1.278  7.039  1.00 22.23 ?  14 TYR A N    1  
ATOM   188  C CA   . TYR A 1 14 ? -8.104  -0.450  7.453  1.00 41.03 ?  14 TYR A CA   1  
ATOM   189  C C    . TYR A 1 14 ? -8.029  0.932   6.813  1.00 41.31 ?  14 TYR A C    1  
ATOM   190  O O    . TYR A 1 14 ? -8.216  1.950   7.481  1.00 14.42 ?  14 TYR A O    1  
ATOM   191  C CB   . TYR A 1 14 ? -8.136  -0.319  8.976  1.00 50.31 ?  14 TYR A CB   1  
ATOM   192  C CG   . TYR A 1 14 ? -8.613  -1.568  9.682  1.00 32.42 ?  14 TYR A CG   1  
ATOM   193  C CD1  . TYR A 1 14 ? -7.801  -2.223  10.600 1.00 72.15 ?  14 TYR A CD1  1  
ATOM   194  C CD2  . TYR A 1 14 ? -9.874  -2.093  9.431  1.00 25.42 ?  14 TYR A CD2  1  
ATOM   195  C CE1  . TYR A 1 14 ? -8.232  -3.365  11.247 1.00 24.03 ?  14 TYR A CE1  1  
ATOM   196  C CE2  . TYR A 1 14 ? -10.314 -3.234  10.075 1.00 41.21 ?  14 TYR A CE2  1  
ATOM   197  C CZ   . TYR A 1 14 ? -9.489  -3.866  10.982 1.00 60.41 ?  14 TYR A CZ   1  
ATOM   198  O OH   . TYR A 1 14 ? -9.923  -5.003  11.624 1.00 51.03 ?  14 TYR A OH   1  
ATOM   199  H H    . TYR A 1 14 ? -7.150  -2.163  6.657  1.00 44.30 ?  14 TYR A H    1  
ATOM   200  H HA   . TYR A 1 14 ? -9.011  -0.937  7.125  1.00 0.44  ?  14 TYR A HA   1  
ATOM   201  H HB2  . TYR A 1 14 ? -7.141  -0.097  9.332  1.00 42.13 ?  14 TYR A HB2  1  
ATOM   202  H HB3  . TYR A 1 14 ? -8.799  0.490   9.248  1.00 64.40 ?  14 TYR A HB3  1  
ATOM   203  H HD1  . TYR A 1 14 ? -6.817  -1.829  10.806 1.00 1.23  ?  14 TYR A HD1  1  
ATOM   204  H HD2  . TYR A 1 14 ? -10.517 -1.595  8.720  1.00 52.34 ?  14 TYR A HD2  1  
ATOM   205  H HE1  . TYR A 1 14 ? -7.587  -3.861  11.958 1.00 35.44 ?  14 TYR A HE1  1  
ATOM   206  H HE2  . TYR A 1 14 ? -11.298 -3.626  9.866  1.00 11.21 ?  14 TYR A HE2  1  
ATOM   207  H HH   . TYR A 1 14 ? -10.846 -5.159  11.409 1.00 34.25 ?  14 TYR A HH   1  
ATOM   208  N N    . LYS A 1 15 ? -7.754  0.962   5.514  1.00 31.30 ?  15 LYS A N    1  
ATOM   209  C CA   . LYS A 1 15 ? -7.655  2.218   4.780  1.00 33.13 ?  15 LYS A CA   1  
ATOM   210  C C    . LYS A 1 15 ? -8.959  3.004   4.868  1.00 75.54 ?  15 LYS A C    1  
ATOM   211  O O    . LYS A 1 15 ? -10.017 2.516   4.470  1.00 12.22 ?  15 LYS A O    1  
ATOM   212  C CB   . LYS A 1 15 ? -7.307  1.950   3.314  1.00 23.42 ?  15 LYS A CB   1  
ATOM   213  C CG   . LYS A 1 15 ? -6.808  3.179   2.573  1.00 42.22 ?  15 LYS A CG   1  
ATOM   214  C CD   . LYS A 1 15 ? -6.231  2.815   1.215  1.00 3.15  ?  15 LYS A CD   1  
ATOM   215  C CE   . LYS A 1 15 ? -4.966  1.982   1.352  1.00 5.10  ?  15 LYS A CE   1  
ATOM   216  N NZ   . LYS A 1 15 ? -4.032  2.200   0.212  1.00 24.11 1  15 LYS A NZ   1  
ATOM   217  H H    . LYS A 1 15 ? -7.614  0.117   5.036  1.00 14.13 ?  15 LYS A H    1  
ATOM   218  H HA   . LYS A 1 15 ? -6.865  2.802   5.228  1.00 62.33 ?  15 LYS A HA   1  
ATOM   219  H HB2  . LYS A 1 15 ? -6.538  1.193   3.271  1.00 40.30 ?  15 LYS A HB2  1  
ATOM   220  H HB3  . LYS A 1 15 ? -8.189  1.584   2.808  1.00 33.21 ?  15 LYS A HB3  1  
ATOM   221  H HG2  . LYS A 1 15 ? -7.632  3.861   2.430  1.00 44.53 ?  15 LYS A HG2  1  
ATOM   222  H HG3  . LYS A 1 15 ? -6.040  3.657   3.164  1.00 11.25 ?  15 LYS A HG3  1  
ATOM   223  H HD2  . LYS A 1 15 ? -6.965  2.247   0.662  1.00 72.23 ?  15 LYS A HD2  1  
ATOM   224  H HD3  . LYS A 1 15 ? -5.998  3.723   0.678  1.00 53.42 ?  15 LYS A HD3  1  
ATOM   225  H HE2  . LYS A 1 15 ? -4.469  2.254   2.270  1.00 34.30 ?  15 LYS A HE2  1  
ATOM   226  H HE3  . LYS A 1 15 ? -5.241  0.938   1.387  1.00 22.05 ?  15 LYS A HE3  1  
ATOM   227  H HZ1  . LYS A 1 15 ? -3.652  1.290   -0.117 1.00 60.33 ?  15 LYS A HZ1  1  
ATOM   228  H HZ2  . LYS A 1 15 ? -4.532  2.660   -0.576 1.00 62.45 ?  15 LYS A HZ2  1  
ATOM   229  H HZ3  . LYS A 1 15 ? -3.242  2.807   0.509  1.00 41.22 ?  15 LYS A HZ3  1  
HETATM 230  N N    . PCA A 1 1  ? 4.843   -4.612  -4.465 1.00 11.13 ?  1  PCA A N    2  
HETATM 231  C CA   . PCA A 1 1  ? 4.545   -3.153  -4.508 1.00 24.44 ?  1  PCA A CA   2  
HETATM 232  C CB   . PCA A 1 1  ? 3.473   -3.043  -5.603 1.00 44.42 ?  1  PCA A CB   2  
HETATM 233  C CG   . PCA A 1 1  ? 2.754   -4.397  -5.558 1.00 33.24 ?  1  PCA A CG   2  
HETATM 234  C CD   . PCA A 1 1  ? 3.807   -5.371  -5.063 1.00 11.24 ?  1  PCA A CD   2  
HETATM 235  O OE   . PCA A 1 1  ? 3.780   -6.584  -5.139 1.00 22.43 ?  1  PCA A OE   2  
HETATM 236  C C    . PCA A 1 1  ? 4.025   -2.640  -3.143 1.00 35.00 ?  1  PCA A C    2  
HETATM 237  O O    . PCA A 1 1  ? 4.353   -1.532  -2.720 1.00 53.44 ?  1  PCA A O    2  
HETATM 238  H HA   . PCA A 1 1  ? 5.469   -2.625  -4.754 1.00 63.24 ?  1  PCA A HA   2  
HETATM 239  H HB2  . PCA A 1 1  ? 2.806   -2.198  -5.422 1.00 51.22 ?  1  PCA A HB2  2  
HETATM 240  H HB3  . PCA A 1 1  ? 3.965   -2.904  -6.568 1.00 62.35 ?  1  PCA A HB3  2  
HETATM 241  H HG2  . PCA A 1 1  ? 1.931   -4.394  -4.836 1.00 32.34 ?  1  PCA A HG2  2  
HETATM 242  H HG3  . PCA A 1 1  ? 2.357   -4.738  -6.520 1.00 1.32  ?  1  PCA A HG3  2  
ATOM   243  N N    . GLY A 1 2  ? 3.217   -3.458  -2.477 1.00 41.40 ?  2  GLY A N    2  
ATOM   244  C CA   . GLY A 1 2  ? 2.672   -3.075  -1.188 1.00 31.12 ?  2  GLY A CA   2  
ATOM   245  C C    . GLY A 1 2  ? 1.537   -3.979  -0.746 1.00 64.33 ?  2  GLY A C    2  
ATOM   246  O O    . GLY A 1 2  ? 0.776   -4.481  -1.573 1.00 60.30 ?  2  GLY A O    2  
ATOM   247  H H    . GLY A 1 2  ? 2.989   -4.329  -2.863 1.00 2.33  ?  2  GLY A H    2  
ATOM   248  H HA2  . GLY A 1 2  ? 3.458   -3.115  -0.449 1.00 1.55  ?  2  GLY A HA2  2  
ATOM   249  H HA3  . GLY A 1 2  ? 2.304   -2.061  -1.252 1.00 61.12 ?  2  GLY A HA3  2  
ATOM   250  N N    . CYS A 1 3  ? 1.424   -4.187  0.561  1.00 5.34  ?  3  CYS A N    2  
ATOM   251  C CA   . CYS A 1 3  ? 0.376   -5.039  1.112  1.00 74.31 ?  3  CYS A CA   2  
ATOM   252  C C    . CYS A 1 3  ? -0.968  -4.317  1.109  1.00 50.31 ?  3  CYS A C    2  
ATOM   253  O O    . CYS A 1 3  ? -2.009  -4.921  0.847  1.00 54.34 ?  3  CYS A O    2  
ATOM   254  C CB   . CYS A 1 3  ? 0.735   -5.467  2.536  1.00 62.42 ?  3  CYS A CB   2  
ATOM   255  S SG   . CYS A 1 3  ? 0.161   -7.139  2.977  1.00 34.43 ?  3  CYS A SG   2  
ATOM   256  H H    . CYS A 1 3  ? 2.062   -3.759  1.171  1.00 52.12 ?  3  CYS A H    2  
ATOM   257  H HA   . CYS A 1 3  ? 0.300   -5.917  0.490  1.00 31.55 ?  3  CYS A HA   2  
ATOM   258  H HB2  . CYS A 1 3  ? 1.809   -5.449  2.650  1.00 65.14 ?  3  CYS A HB2  2  
ATOM   259  H HB3  . CYS A 1 3  ? 0.293   -4.772  3.235  1.00 35.30 ?  3  CYS A HB3  2  
ATOM   260  N N    . CYS A 1 4  ? -0.938  -3.021  1.403  1.00 4.35  ?  4  CYS A N    2  
ATOM   261  C CA   . CYS A 1 4  ? -2.153  -2.215  1.435  1.00 71.11 ?  4  CYS A CA   2  
ATOM   262  C C    . CYS A 1 4  ? -2.938  -2.363  0.135  1.00 22.25 ?  4  CYS A C    2  
ATOM   263  O O    . CYS A 1 4  ? -4.167  -2.282  0.126  1.00 50.41 ?  4  CYS A O    2  
ATOM   264  C CB   . CYS A 1 4  ? -1.808  -0.744  1.671  1.00 32.54 ?  4  CYS A CB   2  
ATOM   265  S SG   . CYS A 1 4  ? -3.003  0.141   2.723  1.00 53.23 ?  4  CYS A SG   2  
ATOM   266  H H    . CYS A 1 4  ? -0.078  -2.596  1.603  1.00 63.22 ?  4  CYS A H    2  
ATOM   267  H HA   . CYS A 1 4  ? -2.764  -2.568  2.252  1.00 41.04 ?  4  CYS A HA   2  
ATOM   268  H HB2  . CYS A 1 4  ? -0.841  -0.681  2.150  1.00 64.22 ?  4  CYS A HB2  2  
ATOM   269  H HB3  . CYS A 1 4  ? -1.766  -0.234  0.720  1.00 55.24 ?  4  CYS A HB3  2  
ATOM   270  N N    . THR A 1 5  ? -2.220  -2.580  -0.962 1.00 33.14 ?  5  THR A N    2  
ATOM   271  C CA   . THR A 1 5  ? -2.847  -2.738  -2.268 1.00 53.20 ?  5  THR A CA   2  
ATOM   272  C C    . THR A 1 5  ? -3.618  -4.049  -2.352 1.00 2.14  ?  5  THR A C    2  
ATOM   273  O O    . THR A 1 5  ? -4.622  -4.147  -3.058 1.00 45.33 ?  5  THR A O    2  
ATOM   274  C CB   . THR A 1 5  ? -1.805  -2.695  -3.402 1.00 34.35 ?  5  THR A CB   2  
ATOM   275  O OG1  . THR A 1 5  ? -0.983  -1.530  -3.267 1.00 72.22 ?  5  THR A OG1  2  
ATOM   276  C CG2  . THR A 1 5  ? -2.485  -2.686  -4.762 1.00 23.04 ?  5  THR A CG2  2  
ATOM   277  H H    . THR A 1 5  ? -1.243  -2.634  -0.891 1.00 60.31 ?  5  THR A H    2  
ATOM   278  H HA   . THR A 1 5  ? -3.536  -1.917  -2.409 1.00 24.12 ?  5  THR A HA   2  
ATOM   279  H HB   . THR A 1 5  ? -1.183  -3.575  -3.332 1.00 23.31 ?  5  THR A HB   2  
ATOM   280  H HG1  . THR A 1 5  ? -0.168  -1.764  -2.816 1.00 50.44 ?  5  THR A HG1  2  
ATOM   281  H HG21 . THR A 1 5  ? -1.766  -2.423  -5.523 1.00 45.03 ?  5  THR A HG21 2  
ATOM   282  H HG22 . THR A 1 5  ? -2.887  -3.667  -4.970 1.00 42.20 ?  5  THR A HG22 2  
ATOM   283  H HG23 . THR A 1 5  ? -3.287  -1.962  -4.759 1.00 23.13 ?  5  THR A HG23 2  
ATOM   284  N N    . ASP A 1 6  ? -3.144  -5.057  -1.627 1.00 3.10  ?  6  ASP A N    2  
ATOM   285  C CA   . ASP A 1 6  ? -3.791  -6.364  -1.619 1.00 50.31 ?  6  ASP A CA   2  
ATOM   286  C C    . ASP A 1 6  ? -5.076  -6.329  -0.797 1.00 20.41 ?  6  ASP A C    2  
ATOM   287  O O    . ASP A 1 6  ? -5.221  -5.545  0.141  1.00 44.31 ?  6  ASP A O    2  
ATOM   288  C CB   . ASP A 1 6  ? -2.841  -7.423  -1.059 1.00 73.24 ?  6  ASP A CB   2  
ATOM   289  C CG   . ASP A 1 6  ? -1.960  -8.036  -2.130 1.00 24.01 ?  6  ASP A CG   2  
ATOM   290  O OD1  . ASP A 1 6  ? -0.728  -7.841  -2.067 1.00 3.32  ?  6  ASP A OD1  2  
ATOM   291  O OD2  . ASP A 1 6  ? -2.502  -8.710  -3.029 1.00 15.43 -1 6  ASP A OD2  2  
ATOM   292  H H    . ASP A 1 6  ? -2.340  -4.918  -1.084 1.00 22.03 ?  6  ASP A H    2  
ATOM   293  H HA   . ASP A 1 6  ? -4.038  -6.618  -2.639 1.00 52.23 ?  6  ASP A HA   2  
ATOM   294  H HB2  . ASP A 1 6  ? -2.205  -6.969  -0.312 1.00 62.22 ?  6  ASP A HB2  2  
ATOM   295  H HB3  . ASP A 1 6  ? -3.420  -8.211  -0.600 1.00 75.25 ?  6  ASP A HB3  2  
ATOM   296  N N    . PRO A 1 7  ? -6.032  -7.198  -1.157 1.00 4.05  ?  7  PRO A N    2  
ATOM   297  C CA   . PRO A 1 7  ? -7.322  -7.286  -0.465 1.00 44.51 ?  7  PRO A CA   2  
ATOM   298  C C    . PRO A 1 7  ? -7.189  -7.863  0.939  1.00 2.22  ?  7  PRO A C    2  
ATOM   299  O O    . PRO A 1 7  ? -7.765  -7.340  1.893  1.00 33.15 ?  7  PRO A O    2  
ATOM   300  C CB   . PRO A 1 7  ? -8.138  -8.227  -1.355 1.00 22.34 ?  7  PRO A CB   2  
ATOM   301  C CG   . PRO A 1 7  ? -7.122  -9.054  -2.063 1.00 41.54 ?  7  PRO A CG   2  
ATOM   302  C CD   . PRO A 1 7  ? -5.929  -8.161  -2.265 1.00 33.00 ?  7  PRO A CD   2  
ATOM   303  H HA   . PRO A 1 7  ? -7.811  -6.323  -0.413 1.00 64.43 ?  7  PRO A HA   2  
ATOM   304  H HB2  . PRO A 1 7  ? -8.786  -8.836  -0.741 1.00 50.11 ?  7  PRO A HB2  2  
ATOM   305  H HB3  . PRO A 1 7  ? -8.729  -7.649  -2.049 1.00 12.35 ?  7  PRO A HB3  2  
ATOM   306  H HG2  . PRO A 1 7  ? -6.854  -9.907  -1.457 1.00 2.22  ?  7  PRO A HG2  2  
ATOM   307  H HG3  . PRO A 1 7  ? -7.512  -9.377  -3.016 1.00 75.12 ?  7  PRO A HG3  2  
ATOM   308  H HD2  . PRO A 1 7  ? -5.014  -8.732  -2.195 1.00 2.45  ?  7  PRO A HD2  2  
ATOM   309  H HD3  . PRO A 1 7  ? -5.989  -7.659  -3.219 1.00 65.12 ?  7  PRO A HD3  2  
ATOM   310  N N    . ARG A 1 8  ? -6.424  -8.944  1.061  1.00 31.05 ?  8  ARG A N    2  
ATOM   311  C CA   . ARG A 1 8  ? -6.217  -9.592  2.350  1.00 53.43 ?  8  ARG A CA   2  
ATOM   312  C C    . ARG A 1 8  ? -5.646  -8.609  3.367  1.00 65.42 ?  8  ARG A C    2  
ATOM   313  O O    . ARG A 1 8  ? -5.977  -8.662  4.552  1.00 24.44 ?  8  ARG A O    2  
ATOM   314  C CB   . ARG A 1 8  ? -5.275  -10.788 2.196  1.00 63.11 ?  8  ARG A CB   2  
ATOM   315  C CG   . ARG A 1 8  ? -5.682  -11.993 3.030  1.00 71.54 ?  8  ARG A CG   2  
ATOM   316  C CD   . ARG A 1 8  ? -4.476  -12.834 3.418  1.00 24.33 ?  8  ARG A CD   2  
ATOM   317  N NE   . ARG A 1 8  ? -4.855  -14.005 4.202  1.00 70.34 ?  8  ARG A NE   2  
ATOM   318  C CZ   . ARG A 1 8  ? -4.015  -14.988 4.510  1.00 35.53 ?  8  ARG A CZ   2  
ATOM   319  N NH1  . ARG A 1 8  ? -2.754  -14.938 4.102  1.00 63.04 1  8  ARG A NH1  2  
ATOM   320  N NH2  . ARG A 1 8  ? -4.435  -16.022 5.229  1.00 10.15 ?  8  ARG A NH2  2  
ATOM   321  H H    . ARG A 1 8  ? -5.991  -9.315  0.264  1.00 64.21 ?  8  ARG A H    2  
ATOM   322  H HA   . ARG A 1 8  ? -7.175  -9.942  2.703  1.00 73.52 ?  8  ARG A HA   2  
ATOM   323  H HB2  . ARG A 1 8  ? -5.256  -11.086 1.159  1.00 61.45 ?  8  ARG A HB2  2  
ATOM   324  H HB3  . ARG A 1 8  ? -4.282  -10.489 2.496  1.00 40.11 ?  8  ARG A HB3  2  
ATOM   325  H HG2  . ARG A 1 8  ? -6.172  -11.649 3.928  1.00 53.32 ?  8  ARG A HG2  2  
ATOM   326  H HG3  . ARG A 1 8  ? -6.364  -12.602 2.455  1.00 30.32 ?  8  ARG A HG3  2  
ATOM   327  H HD2  . ARG A 1 8  ? -3.976  -13.162 2.518  1.00 53.54 ?  8  ARG A HD2  2  
ATOM   328  H HD3  . ARG A 1 8  ? -3.801  -12.224 4.001  1.00 33.33 ?  8  ARG A HD3  2  
ATOM   329  H HE   . ARG A 1 8  ? -5.782  -14.062 4.514  1.00 23.04 ?  8  ARG A HE   2  
ATOM   330  H HH11 . ARG A 1 8  ? -2.435  -14.160 3.562  1.00 14.24 ?  8  ARG A HH11 2  
ATOM   331  H HH12 . ARG A 1 8  ? -2.124  -15.679 4.337  1.00 53.33 ?  8  ARG A HH12 2  
ATOM   332  H HH21 . ARG A 1 8  ? -5.385  -16.062 5.538  1.00 72.15 ?  8  ARG A HH21 2  
ATOM   333  H HH22 . ARG A 1 8  ? -3.802  -16.760 5.460  1.00 51.31 ?  8  ARG A HH22 2  
ATOM   334  N N    . CYS A 1 9  ? -4.786  -7.712  2.897  1.00 23.53 ?  9  CYS A N    2  
ATOM   335  C CA   . CYS A 1 9  ? -4.167  -6.716  3.764  1.00 21.11 ?  9  CYS A CA   2  
ATOM   336  C C    . CYS A 1 9  ? -5.043  -5.471  3.874  1.00 22.01 ?  9  CYS A C    2  
ATOM   337  O O    . CYS A 1 9  ? -5.070  -4.808  4.911  1.00 24.12 ?  9  CYS A O    2  
ATOM   338  C CB   . CYS A 1 9  ? -2.785  -6.335  3.232  1.00 13.23 ?  9  CYS A CB   2  
ATOM   339  S SG   . CYS A 1 9  ? -1.410  -6.807  4.330  1.00 54.11 ?  9  CYS A SG   2  
ATOM   340  H H    . CYS A 1 9  ? -4.562  -7.718  1.942  1.00 40.33 ?  9  CYS A H    2  
ATOM   341  H HA   . CYS A 1 9  ? -4.059  -7.153  4.745  1.00 20.44 ?  9  CYS A HA   2  
ATOM   342  H HB2  . CYS A 1 9  ? -2.626  -6.821  2.281  1.00 24.41 ?  9  CYS A HB2  2  
ATOM   343  H HB3  . CYS A 1 9  ? -2.744  -5.264  3.095  1.00 71.44 ?  9  CYS A HB3  2  
ATOM   344  N N    . ARG A 1 10 ? -5.760  -5.160  2.798  1.00 3.34  ?  10 ARG A N    2  
ATOM   345  C CA   . ARG A 1 10 ? -6.636  -3.996  2.774  1.00 22.50 ?  10 ARG A CA   2  
ATOM   346  C C    . ARG A 1 10 ? -7.564  -3.989  3.985  1.00 41.43 ?  10 ARG A C    2  
ATOM   347  O O    . ARG A 1 10 ? -7.881  -2.932  4.528  1.00 53.40 ?  10 ARG A O    2  
ATOM   348  C CB   . ARG A 1 10 ? -7.460  -3.979  1.485  1.00 31.33 ?  10 ARG A CB   2  
ATOM   349  C CG   . ARG A 1 10 ? -8.419  -2.803  1.392  1.00 21.23 ?  10 ARG A CG   2  
ATOM   350  C CD   . ARG A 1 10 ? -9.423  -2.991  0.266  1.00 41.14 ?  10 ARG A CD   2  
ATOM   351  N NE   . ARG A 1 10 ? -10.513 -3.884  0.648  1.00 43.11 ?  10 ARG A NE   2  
ATOM   352  C CZ   . ARG A 1 10 ? -11.540 -3.510  1.403  1.00 63.03 ?  10 ARG A CZ   2  
ATOM   353  N NH1  . ARG A 1 10 ? -11.616 -2.265  1.853  1.00 13.21 1  10 ARG A NH1  2  
ATOM   354  N NH2  . ARG A 1 10 ? -12.493 -4.380  1.707  1.00 73.00 ?  10 ARG A NH2  2  
ATOM   355  H H    . ARG A 1 10 ? -5.697  -5.728  2.003  1.00 4.50  ?  10 ARG A H    2  
ATOM   356  H HA   . ARG A 1 10 ? -6.014  -3.113  2.805  1.00 22.35 ?  10 ARG A HA   2  
ATOM   357  H HB2  . ARG A 1 10 ? -6.787  -3.934  0.641  1.00 62.12 ?  10 ARG A HB2  2  
ATOM   358  H HB3  . ARG A 1 10 ? -8.036  -4.890  1.428  1.00 64.12 ?  10 ARG A HB3  2  
ATOM   359  H HG2  . ARG A 1 10 ? -8.954  -2.712  2.325  1.00 70.13 ?  10 ARG A HG2  2  
ATOM   360  H HG3  . ARG A 1 10 ? -7.852  -1.901  1.210  1.00 3.04  ?  10 ARG A HG3  2  
ATOM   361  H HD2  . ARG A 1 10 ? -9.834  -2.028  0.003  1.00 75.31 ?  10 ARG A HD2  2  
ATOM   362  H HD3  . ARG A 1 10 ? -8.911  -3.407  -0.589 1.00 15.42 ?  10 ARG A HD3  2  
ATOM   363  H HE   . ARG A 1 10 ? -10.477 -4.809  0.326  1.00 22.23 ?  10 ARG A HE   2  
ATOM   364  H HH11 . ARG A 1 10 ? -10.900 -1.606  1.624  1.00 73.23 ?  10 ARG A HH11 2  
ATOM   365  H HH12 . ARG A 1 10 ? -12.391 -1.984  2.420  1.00 55.15 ?  10 ARG A HH12 2  
ATOM   366  H HH21 . ARG A 1 10 ? -12.439 -5.319  1.370  1.00 54.34 ?  10 ARG A HH21 2  
ATOM   367  H HH22 . ARG A 1 10 ? -13.266 -4.098  2.275  1.00 52.33 ?  10 ARG A HH22 2  
HETATM 368  N N    . IYR A 1 11 ? -7.995  -5.174  4.400  1.00 4.14  ?  11 IYR A N    2  
HETATM 369  C CA   . IYR A 1 11 ? -8.891  -5.305  5.549  1.00 0.21  ?  11 IYR A CA   2  
HETATM 370  C CB   . IYR A 1 11 ? -9.146  -6.803  5.914  1.00 41.10 ?  11 IYR A CB   2  
HETATM 371  C CC   . IYR A 1 11 ? -10.344 -7.388  5.197  1.00 75.23 ?  11 IYR A CC   2  
HETATM 372  C CD   . IYR A 1 11 ? -10.426 -7.348  3.801  1.00 61.33 ?  11 IYR A CD   2  
HETATM 373  C CE   . IYR A 1 11 ? -11.520 -7.896  3.133  1.00 42.44 ?  11 IYR A CE   2  
HETATM 374  I IE   . IYR A 1 11 ? -11.592 -7.809  0.978  1.00 44.41 ?  11 IYR A IE   2  
HETATM 375  C CF   . IYR A 1 11 ? -12.568 -8.505  3.836  1.00 74.31 ?  11 IYR A CF   2  
HETATM 376  O OF   . IYR A 1 11 ? -13.692 -9.070  3.272  1.00 52.10 ?  11 IYR A OF   2  
HETATM 377  C CG   . IYR A 1 11 ? -12.480 -8.543  5.237  1.00 73.43 ?  11 IYR A CG   2  
HETATM 378  C CH   . IYR A 1 11 ? -11.392 -7.998  5.905  1.00 10.04 ?  11 IYR A CH   2  
HETATM 379  C C    . IYR A 1 11 ? -8.161  -4.643  6.734  1.00 25.12 ?  11 IYR A C    2  
HETATM 380  O O    . IYR A 1 11 ? -8.730  -3.808  7.437  1.00 74.52 ?  11 IYR A O    2  
HETATM 381  H H    . IYR A 1 11 ? -7.707  -5.982  3.925  1.00 14.32 ?  11 IYR A H    2  
HETATM 382  H HA   . IYR A 1 11 ? -9.833  -4.806  5.314  1.00 72.33 ?  11 IYR A HA   2  
HETATM 383  H HB2  . IYR A 1 11 ? -8.241  -7.361  5.654  1.00 11.51 ?  11 IYR A HB2  2  
HETATM 384  H HB3  . IYR A 1 11 ? -9.284  -6.873  6.998  1.00 60.32 ?  11 IYR A HB3  2  
HETATM 385  H HD   . IYR A 1 11 ? -9.634  -6.876  3.230  1.00 22.10 ?  11 IYR A HD   2  
HETATM 386  H HF   . IYR A 1 11 ? -14.056 -8.495  2.544  1.00 73.54 ?  11 IYR A HF   2  
HETATM 387  H HG   . IYR A 1 11 ? -13.296 -9.010  5.775  1.00 11.24 ?  11 IYR A HG   2  
HETATM 388  H HH   . IYR A 1 11 ? -11.353 -8.042  6.987  1.00 13.23 ?  11 IYR A HH   2  
ATOM   389  N N    . GLN A 1 12 ? -6.905  -5.026  6.938  1.00 64.22 ?  12 GLN A N    2  
ATOM   390  C CA   . GLN A 1 12 ? -6.105  -4.476  8.026  1.00 44.33 ?  12 GLN A CA   2  
ATOM   391  C C    . GLN A 1 12 ? -5.870  -2.982  7.827  1.00 33.45 ?  12 GLN A C    2  
ATOM   392  O O    . GLN A 1 12 ? -5.957  -2.197  8.773  1.00 13.21 ?  12 GLN A O    2  
ATOM   393  C CB   . GLN A 1 12 ? -4.765  -5.207  8.123  1.00 31.21 ?  12 GLN A CB   2  
ATOM   394  C CG   . GLN A 1 12 ? -4.098  -5.075  9.482  1.00 72.54 ?  12 GLN A CG   2  
ATOM   395  C CD   . GLN A 1 12 ? -2.696  -5.655  9.503  1.00 2.41  ?  12 GLN A CD   2  
ATOM   396  O OE1  . GLN A 1 12 ? -2.234  -6.226  8.515  1.00 4.14  ?  12 GLN A OE1  2  
ATOM   397  N NE2  . GLN A 1 12 ? -2.013  -5.510  10.632 1.00 42.44 ?  12 GLN A NE2  2  
ATOM   398  H H    . GLN A 1 12 ? -6.507  -5.696  6.344  1.00 63.03 ?  12 GLN A H    2  
ATOM   399  H HA   . GLN A 1 12 ? -6.652  -4.621  8.946  1.00 74.14 ?  12 GLN A HA   2  
ATOM   400  H HB2  . GLN A 1 12 ? -4.925  -6.256  7.925  1.00 65.51 ?  12 GLN A HB2  2  
ATOM   401  H HB3  . GLN A 1 12 ? -4.095  -4.806  7.377  1.00 55.52 ?  12 GLN A HB3  2  
ATOM   402  H HG2  . GLN A 1 12 ? -4.040  -4.028  9.741  1.00 33.31 ?  12 GLN A HG2  2  
ATOM   403  H HG3  . GLN A 1 12 ? -4.697  -5.594  10.216 1.00 2.55  ?  12 GLN A HG3  2  
ATOM   404  H HE21 . GLN A 1 12 ? -2.446  -5.046  11.380 1.00 20.44 ?  12 GLN A HE21 2  
ATOM   405  H HE22 . GLN A 1 12 ? -1.105  -5.876  10.674 1.00 41.34 ?  12 GLN A HE22 2  
ATOM   406  N N    . CYS A 1 13 ? -5.571  -2.595  6.592  1.00 25.25 ?  13 CYS A N    2  
ATOM   407  C CA   . CYS A 1 13 ? -5.322  -1.195  6.268  1.00 24.34 ?  13 CYS A CA   2  
ATOM   408  C C    . CYS A 1 13 ? -6.532  -0.333  6.616  1.00 61.23 ?  13 CYS A C    2  
ATOM   409  O O    . CYS A 1 13 ? -6.388  0.818   7.030  1.00 1.13  ?  13 CYS A O    2  
ATOM   410  C CB   . CYS A 1 13 ? -4.987  -1.046  4.782  1.00 11.44 ?  13 CYS A CB   2  
ATOM   411  S SG   . CYS A 1 13 ? -3.205  -0.879  4.436  1.00 70.22 ?  13 CYS A SG   2  
ATOM   412  H H    . CYS A 1 13 ? -5.517  -3.267  5.879  1.00 70.11 ?  13 CYS A H    2  
ATOM   413  H HA   . CYS A 1 13 ? -4.479  -0.864  6.854  1.00 71.43 ?  13 CYS A HA   2  
ATOM   414  H HB2  . CYS A 1 13 ? -5.343  -1.917  4.252  1.00 64.53 ?  13 CYS A HB2  2  
ATOM   415  H HB3  . CYS A 1 13 ? -5.481  -0.167  4.395  1.00 23.34 ?  13 CYS A HB3  2  
ATOM   416  N N    . TYR A 1 14 ? -7.722  -0.896  6.445  1.00 22.23 ?  14 TYR A N    2  
ATOM   417  C CA   . TYR A 1 14 ? -8.957  -0.179  6.739  1.00 41.03 ?  14 TYR A CA   2  
ATOM   418  C C    . TYR A 1 14 ? -9.106  0.058   8.238  1.00 41.31 ?  14 TYR A C    2  
ATOM   419  O O    . TYR A 1 14 ? -8.884  -0.844  9.046  1.00 14.42 ?  14 TYR A O    2  
ATOM   420  C CB   . TYR A 1 14 ? -10.163 -0.960  6.211  1.00 50.31 ?  14 TYR A CB   2  
ATOM   421  C CG   . TYR A 1 14 ? -11.411 -0.118  6.061  1.00 32.42 ?  14 TYR A CG   2  
ATOM   422  C CD1  . TYR A 1 14 ? -11.430 0.987   5.220  1.00 72.15 ?  14 TYR A CD1  2  
ATOM   423  C CD2  . TYR A 1 14 ? -12.570 -0.429  6.762  1.00 25.42 ?  14 TYR A CD2  2  
ATOM   424  C CE1  . TYR A 1 14 ? -12.567 1.759   5.081  1.00 24.03 ?  14 TYR A CE1  2  
ATOM   425  C CE2  . TYR A 1 14 ? -13.712 0.336   6.627  1.00 41.21 ?  14 TYR A CE2  2  
ATOM   426  C CZ   . TYR A 1 14 ? -13.705 1.429   5.786  1.00 60.41 ?  14 TYR A CZ   2  
ATOM   427  O OH   . TYR A 1 14 ? -14.841 2.195   5.650  1.00 51.03 ?  14 TYR A OH   2  
ATOM   428  H H    . TYR A 1 14 ? -7.772  -1.817  6.111  1.00 44.30 ?  14 TYR A H    2  
ATOM   429  H HA   . TYR A 1 14 ? -8.913  0.776   6.237  1.00 0.44  ?  14 TYR A HA   2  
ATOM   430  H HB2  . TYR A 1 14 ? -9.923  -1.370  5.242  1.00 42.13 ?  14 TYR A HB2  2  
ATOM   431  H HB3  . TYR A 1 14 ? -10.387 -1.767  6.894  1.00 64.40 ?  14 TYR A HB3  2  
ATOM   432  H HD1  . TYR A 1 14 ? -10.536 1.242   4.669  1.00 1.23  ?  14 TYR A HD1  2  
ATOM   433  H HD2  . TYR A 1 14 ? -12.571 -1.286  7.419  1.00 52.34 ?  14 TYR A HD2  2  
ATOM   434  H HE1  . TYR A 1 14 ? -12.563 2.615   4.422  1.00 35.44 ?  14 TYR A HE1  2  
ATOM   435  H HE2  . TYR A 1 14 ? -14.604 0.079   7.180  1.00 11.21 ?  14 TYR A HE2  2  
ATOM   436  H HH   . TYR A 1 14 ? -15.031 2.321   4.718  1.00 34.25 ?  14 TYR A HH   2  
ATOM   437  N N    . LYS A 1 15 ? -9.486  1.277   8.603  1.00 31.30 ?  15 LYS A N    2  
ATOM   438  C CA   . LYS A 1 15 ? -9.667  1.636   10.005 1.00 33.13 ?  15 LYS A CA   2  
ATOM   439  C C    . LYS A 1 15 ? -11.149 1.720   10.357 1.00 75.54 ?  15 LYS A C    2  
ATOM   440  O O    . LYS A 1 15 ? -12.002 1.811   9.474  1.00 12.22 ?  15 LYS A O    2  
ATOM   441  C CB   . LYS A 1 15 ? -8.984  2.971   10.304 1.00 23.42 ?  15 LYS A CB   2  
ATOM   442  C CG   . LYS A 1 15 ? -9.714  4.172   9.727  1.00 42.22 ?  15 LYS A CG   2  
ATOM   443  C CD   . LYS A 1 15 ? -8.831  5.408   9.711  1.00 3.15  ?  15 LYS A CD   2  
ATOM   444  C CE   . LYS A 1 15 ? -9.278  6.399   8.647  1.00 5.10  ?  15 LYS A CE   2  
ATOM   445  N NZ   . LYS A 1 15 ? -8.144  7.220   8.142  1.00 24.11 1  15 LYS A NZ   2  
ATOM   446  H H    . LYS A 1 15 ? -9.648  1.954   7.911  1.00 14.13 ?  15 LYS A H    2  
ATOM   447  H HA   . LYS A 1 15 ? -9.210  0.864   10.606 1.00 62.33 ?  15 LYS A HA   2  
ATOM   448  H HB2  . LYS A 1 15 ? -8.919  3.097   11.374 1.00 40.30 ?  15 LYS A HB2  2  
ATOM   449  H HB3  . LYS A 1 15 ? -7.985  2.952   9.891  1.00 33.21 ?  15 LYS A HB3  2  
ATOM   450  H HG2  . LYS A 1 15 ? -10.016 3.945   8.715  1.00 44.53 ?  15 LYS A HG2  2  
ATOM   451  H HG3  . LYS A 1 15 ? -10.589 4.372   10.329 1.00 11.25 ?  15 LYS A HG3  2  
ATOM   452  H HD2  . LYS A 1 15 ? -8.881  5.887   10.678 1.00 72.23 ?  15 LYS A HD2  2  
ATOM   453  H HD3  . LYS A 1 15 ? -7.813  5.110   9.506  1.00 53.42 ?  15 LYS A HD3  2  
ATOM   454  H HE2  . LYS A 1 15 ? -9.711  5.852   7.824  1.00 34.30 ?  15 LYS A HE2  2  
ATOM   455  H HE3  . LYS A 1 15 ? -10.023 7.054   9.075  1.00 22.05 ?  15 LYS A HE3  2  
ATOM   456  H HZ1  . LYS A 1 15 ? -8.498  7.975   7.520  1.00 60.33 ?  15 LYS A HZ1  2  
ATOM   457  H HZ2  . LYS A 1 15 ? -7.632  7.653   8.938  1.00 62.45 ?  15 LYS A HZ2  2  
ATOM   458  H HZ3  . LYS A 1 15 ? -7.483  6.624   7.603  1.00 41.22 ?  15 LYS A HZ3  2  
HETATM 459  N N    . PCA A 1 1  ? 2.250   0.800   -2.447 1.00 11.13 ?  1  PCA A N    3  
HETATM 460  C CA   . PCA A 1 1  ? 2.479   -0.561  -3.005 1.00 24.44 ?  1  PCA A CA   3  
HETATM 461  C CB   . PCA A 1 1  ? 3.590   -0.346  -4.036 1.00 44.42 ?  1  PCA A CB   3  
HETATM 462  C CG   . PCA A 1 1  ? 4.362   0.871   -3.513 1.00 33.24 ?  1  PCA A CG   3  
HETATM 463  C CD   . PCA A 1 1  ? 3.336   1.666   -2.727 1.00 11.24 ?  1  PCA A CD   3  
HETATM 464  O OE   . PCA A 1 1  ? 3.416   2.827   -2.378 1.00 22.43 ?  1  PCA A OE   3  
HETATM 465  C C    . PCA A 1 1  ? 2.898   -1.564  -1.903 1.00 35.00 ?  1  PCA A C    3  
HETATM 466  O O    . PCA A 1 1  ? 3.519   -1.187  -0.909 1.00 53.44 ?  1  PCA A O    3  
HETATM 467  H HA   . PCA A 1 1  ? 1.546   -0.906  -3.457 1.00 63.24 ?  1  PCA A HA   3  
HETATM 468  H HB2  . PCA A 1 1  ? 4.210   -1.239  -4.131 1.00 51.22 ?  1  PCA A HB2  3  
HETATM 469  H HB3  . PCA A 1 1  ? 3.140   -0.124  -5.005 1.00 62.35 ?  1  PCA A HB3  3  
HETATM 470  H HG2  . PCA A 1 1  ? 5.161   0.578   -2.823 1.00 32.34 ?  1  PCA A HG2  3  
HETATM 471  H HG3  . PCA A 1 1  ? 4.805   1.503   -4.289 1.00 1.32  ?  1  PCA A HG3  3  
ATOM   472  N N    . GLY A 1 2  ? 2.550   -2.832  -2.099 1.00 41.40 ?  2  GLY A N    3  
ATOM   473  C CA   . GLY A 1 2  ? 2.892   -3.855  -1.127 1.00 31.12 ?  2  GLY A CA   3  
ATOM   474  C C    . GLY A 1 2  ? 1.695   -4.686  -0.714 1.00 64.33 ?  2  GLY A C    3  
ATOM   475  O O    . GLY A 1 2  ? 0.962   -5.198  -1.561 1.00 60.30 ?  2  GLY A O    3  
ATOM   476  H H    . GLY A 1 2  ? 2.055   -3.076  -2.909 1.00 2.33  ?  2  GLY A H    3  
ATOM   477  H HA2  . GLY A 1 2  ? 3.639   -4.506  -1.555 1.00 1.55  ?  2  GLY A HA2  3  
ATOM   478  H HA3  . GLY A 1 2  ? 3.305   -3.377  -0.250 1.00 61.12 ?  2  GLY A HA3  3  
ATOM   479  N N    . CYS A 1 3  ? 1.494   -4.824  0.593  1.00 5.34  ?  3  CYS A N    3  
ATOM   480  C CA   . CYS A 1 3  ? 0.378   -5.600  1.118  1.00 74.31 ?  3  CYS A CA   3  
ATOM   481  C C    . CYS A 1 3  ? -0.920  -4.800  1.058  1.00 50.31 ?  3  CYS A C    3  
ATOM   482  O O    . CYS A 1 3  ? -1.991  -5.351  0.803  1.00 54.34 ?  3  CYS A O    3  
ATOM   483  C CB   . CYS A 1 3  ? 0.660   -6.026  2.561  1.00 62.42 ?  3  CYS A CB   3  
ATOM   484  S SG   . CYS A 1 3  ? 0.022   -7.678  2.987  1.00 34.43 ?  3  CYS A SG   3  
ATOM   485  H H    . CYS A 1 3  ? 2.112   -4.392  1.220  1.00 52.12 ?  3  CYS A H    3  
ATOM   486  H HA   . CYS A 1 3  ? 0.271   -6.483  0.506  1.00 31.55 ?  3  CYS A HA   3  
ATOM   487  H HB2  . CYS A 1 3  ? 1.728   -6.036  2.722  1.00 65.14 ?  3  CYS A HB2  3  
ATOM   488  H HB3  . CYS A 1 3  ? 0.205   -5.314  3.233  1.00 35.30 ?  3  CYS A HB3  3  
ATOM   489  N N    . CYS A 1 4  ? -0.815  -3.496  1.293  1.00 4.35  ?  4  CYS A N    3  
ATOM   490  C CA   . CYS A 1 4  ? -1.979  -2.618  1.265  1.00 71.11 ?  4  CYS A CA   3  
ATOM   491  C C    . CYS A 1 4  ? -2.746  -2.773  -0.045 1.00 22.25 ?  4  CYS A C    3  
ATOM   492  O O    . CYS A 1 4  ? -3.965  -2.603  -0.087 1.00 50.41 ?  4  CYS A O    3  
ATOM   493  C CB   . CYS A 1 4  ? -1.548  -1.161  1.446  1.00 32.54 ?  4  CYS A CB   3  
ATOM   494  S SG   . CYS A 1 4  ? -2.823  -0.096  2.195  1.00 53.23 ?  4  CYS A SG   3  
ATOM   495  H H    . CYS A 1 4  ? 0.067   -3.115  1.490  1.00 63.22 ?  4  CYS A H    3  
ATOM   496  H HA   . CYS A 1 4  ? -2.625  -2.898  2.082  1.00 41.04 ?  4  CYS A HA   3  
ATOM   497  H HB2  . CYS A 1 4  ? -0.677  -1.127  2.085  1.00 64.22 ?  4  CYS A HB2  3  
ATOM   498  H HB3  . CYS A 1 4  ? -1.297  -0.745  0.482  1.00 55.24 ?  4  CYS A HB3  3  
ATOM   499  N N    . THR A 1 5  ? -2.024  -3.099  -1.113 1.00 33.14 ?  5  THR A N    3  
ATOM   500  C CA   . THR A 1 5  ? -2.637  -3.277  -2.423 1.00 53.20 ?  5  THR A CA   3  
ATOM   501  C C    . THR A 1 5  ? -3.505  -4.529  -2.459 1.00 2.14  ?  5  THR A C    3  
ATOM   502  O O    . THR A 1 5  ? -4.500  -4.586  -3.183 1.00 45.33 ?  5  THR A O    3  
ATOM   503  C CB   . THR A 1 5  ? -1.571  -3.373  -3.532 1.00 34.35 ?  5  THR A CB   3  
ATOM   504  O OG1  . THR A 1 5  ? -0.683  -2.252  -3.456 1.00 72.22 ?  5  THR A OG1  3  
ATOM   505  C CG2  . THR A 1 5  ? -2.223  -3.419  -4.906 1.00 23.04 ?  5  THR A CG2  3  
ATOM   506  H H    . THR A 1 5  ? -1.057  -3.222  -1.015 1.00 60.31 ?  5  THR A H    3  
ATOM   507  H HA   . THR A 1 5  ? -3.256  -2.414  -2.622 1.00 24.12 ?  5  THR A HA   3  
ATOM   508  H HB   . THR A 1 5  ? -1.006  -4.282  -3.388 1.00 23.31 ?  5  THR A HB   3  
ATOM   509  H HG1  . THR A 1 5  ? 0.225   -2.565  -3.440 1.00 50.44 ?  5  THR A HG1  3  
ATOM   510  H HG21 . THR A 1 5  ? -1.772  -2.672  -5.543 1.00 45.03 ?  5  THR A HG21 3  
ATOM   511  H HG22 . THR A 1 5  ? -2.080  -4.397  -5.340 1.00 42.20 ?  5  THR A HG22 3  
ATOM   512  H HG23 . THR A 1 5  ? -3.280  -3.218  -4.809 1.00 23.13 ?  5  THR A HG23 3  
ATOM   513  N N    . ASP A 1 6  ? -3.125  -5.531  -1.673 1.00 3.10  ?  6  ASP A N    3  
ATOM   514  C CA   . ASP A 1 6  ? -3.871  -6.782  -1.613 1.00 50.31 ?  6  ASP A CA   3  
ATOM   515  C C    . ASP A 1 6  ? -5.153  -6.612  -0.804 1.00 20.41 ?  6  ASP A C    3  
ATOM   516  O O    . ASP A 1 6  ? -5.239  -5.780  0.100  1.00 44.31 ?  6  ASP A O    3  
ATOM   517  C CB   . ASP A 1 6  ? -3.008  -7.886  -1.001 1.00 73.24 ?  6  ASP A CB   3  
ATOM   518  C CG   . ASP A 1 6  ? -2.074  -8.520  -2.013 1.00 24.01 ?  6  ASP A CG   3  
ATOM   519  O OD1  . ASP A 1 6  ? -0.973  -8.950  -1.615 1.00 3.32  ?  6  ASP A OD1  3  
ATOM   520  O OD2  . ASP A 1 6  ? -2.447  -8.586  -3.204 1.00 15.43 -1 6  ASP A OD2  3  
ATOM   521  H H    . ASP A 1 6  ? -2.323  -5.425  -1.119 1.00 22.03 ?  6  ASP A H    3  
ATOM   522  H HA   . ASP A 1 6  ? -4.133  -7.060  -2.623 1.00 52.23 ?  6  ASP A HA   3  
ATOM   523  H HB2  . ASP A 1 6  ? -2.412  -7.467  -0.203 1.00 62.22 ?  6  ASP A HB2  3  
ATOM   524  H HB3  . ASP A 1 6  ? -3.651  -8.655  -0.599 1.00 75.25 ?  6  ASP A HB3  3  
ATOM   525  N N    . PRO A 1 7  ? -6.173  -7.418  -1.134 1.00 4.05  ?  7  PRO A N    3  
ATOM   526  C CA   . PRO A 1 7  ? -7.469  -7.375  -0.450 1.00 44.51 ?  7  PRO A CA   3  
ATOM   527  C C    . PRO A 1 7  ? -7.387  -7.902  0.978  1.00 2.22  ?  7  PRO A C    3  
ATOM   528  O O    . PRO A 1 7  ? -7.927  -7.296  1.904  1.00 33.15 ?  7  PRO A O    3  
ATOM   529  C CB   . PRO A 1 7  ? -8.351  -8.287  -1.307 1.00 22.34 ?  7  PRO A CB   3  
ATOM   530  C CG   . PRO A 1 7  ? -7.400  -9.220  -1.972 1.00 41.54 ?  7  PRO A CG   3  
ATOM   531  C CD   . PRO A 1 7  ? -6.139  -8.432  -2.201 1.00 33.00 ?  7  PRO A CD   3  
ATOM   532  H HA   . PRO A 1 7  ? -7.881  -6.377  -0.441 1.00 64.43 ?  7  PRO A HA   3  
ATOM   533  H HB2  . PRO A 1 7  ? -9.048  -8.817  -0.672 1.00 50.11 ?  7  PRO A HB2  3  
ATOM   534  H HB3  . PRO A 1 7  ? -8.893  -7.694  -2.029 1.00 12.35 ?  7  PRO A HB3  3  
ATOM   535  H HG2  . PRO A 1 7  ? -7.204  -10.064 -1.330 1.00 2.22  ?  7  PRO A HG2  3  
ATOM   536  H HG3  . PRO A 1 7  ? -7.810  -9.552  -2.914 1.00 75.12 ?  7  PRO A HG3  3  
ATOM   537  H HD2  . PRO A 1 7  ? -5.273  -9.069  -2.101 1.00 2.45  ?  7  PRO A HD2  3  
ATOM   538  H HD3  . PRO A 1 7  ? -6.157  -7.966  -3.175 1.00 65.12 ?  7  PRO A HD3  3  
ATOM   539  N N    . ARG A 1 8  ? -6.710  -9.032  1.150  1.00 31.05 ?  8  ARG A N    3  
ATOM   540  C CA   . ARG A 1 8  ? -6.560  -9.640  2.466  1.00 53.43 ?  8  ARG A CA   3  
ATOM   541  C C    . ARG A 1 8  ? -5.914  -8.665  3.446  1.00 65.42 ?  8  ARG A C    3  
ATOM   542  O O    . ARG A 1 8  ? -6.248  -8.644  4.631  1.00 24.44 ?  8  ARG A O    3  
ATOM   543  C CB   . ARG A 1 8  ? -5.717  -10.914 2.369  1.00 63.11 ?  8  ARG A CB   3  
ATOM   544  C CG   . ARG A 1 8  ? -6.537  -12.170 2.120  1.00 71.54 ?  8  ARG A CG   3  
ATOM   545  C CD   . ARG A 1 8  ? -6.705  -12.437 0.632  1.00 24.33 ?  8  ARG A CD   3  
ATOM   546  N NE   . ARG A 1 8  ? -7.893  -13.239 0.351  1.00 70.34 ?  8  ARG A NE   3  
ATOM   547  C CZ   . ARG A 1 8  ? -7.944  -14.557 0.510  1.00 35.53 ?  8  ARG A CZ   3  
ATOM   548  N NH1  . ARG A 1 8  ? -6.880  -15.217 0.947  1.00 63.04 1  8  ARG A NH1  3  
ATOM   549  N NH2  . ARG A 1 8  ? -9.062  -15.217 0.234  1.00 10.15 ?  8  ARG A NH2  3  
ATOM   550  H H    . ARG A 1 8  ? -6.303  -9.469  0.372  1.00 64.21 ?  8  ARG A H    3  
ATOM   551  H HA   . ARG A 1 8  ? -7.544  -9.897  2.828  1.00 73.52 ?  8  ARG A HA   3  
ATOM   552  H HB2  . ARG A 1 8  ? -5.011  -10.805 1.560  1.00 61.45 ?  8  ARG A HB2  3  
ATOM   553  H HB3  . ARG A 1 8  ? -5.175  -11.043 3.294  1.00 40.11 ?  8  ARG A HB3  3  
ATOM   554  H HG2  . ARG A 1 8  ? -6.035  -13.012 2.571  1.00 53.32 ?  8  ARG A HG2  3  
ATOM   555  H HG3  . ARG A 1 8  ? -7.512  -12.046 2.567  1.00 30.32 ?  8  ARG A HG3  3  
ATOM   556  H HD2  . ARG A 1 8  ? -6.791  -11.492 0.117  1.00 53.54 ?  8  ARG A HD2  3  
ATOM   557  H HD3  . ARG A 1 8  ? -5.833  -12.963 0.274  1.00 33.33 ?  8  ARG A HD3  3  
ATOM   558  H HE   . ARG A 1 8  ? -8.691  -12.772 0.028  1.00 23.04 ?  8  ARG A HE   3  
ATOM   559  H HH11 . ARG A 1 8  ? -6.038  -14.722 1.157  1.00 14.24 ?  8  ARG A HH11 3  
ATOM   560  H HH12 . ARG A 1 8  ? -6.922  -16.209 1.067  1.00 53.33 ?  8  ARG A HH12 3  
ATOM   561  H HH21 . ARG A 1 8  ? -9.866  -14.723 -0.094 1.00 72.15 ?  8  ARG A HH21 3  
ATOM   562  H HH22 . ARG A 1 8  ? -9.099  -16.208 0.354  1.00 51.31 ?  8  ARG A HH22 3  
ATOM   563  N N    . CYS A 1 9  ? -4.987  -7.857  2.943  1.00 23.53 ?  9  CYS A N    3  
ATOM   564  C CA   . CYS A 1 9  ? -4.292  -6.878  3.772  1.00 21.11 ?  9  CYS A CA   3  
ATOM   565  C C    . CYS A 1 9  ? -5.070  -5.566  3.830  1.00 22.01 ?  9  CYS A C    3  
ATOM   566  O O    . CYS A 1 9  ? -5.066  -4.876  4.849  1.00 24.12 ?  9  CYS A O    3  
ATOM   567  C CB   . CYS A 1 9  ? -2.885  -6.626  3.230  1.00 13.23 ?  9  CYS A CB   3  
ATOM   568  S SG   . CYS A 1 9  ? -1.560  -7.394  4.217  1.00 54.11 ?  9  CYS A SG   3  
ATOM   569  H H    . CYS A 1 9  ? -4.762  -7.920  1.990  1.00 40.33 ?  9  CYS A H    3  
ATOM   570  H HA   . CYS A 1 9  ? -4.218  -7.282  4.770  1.00 20.44 ?  9  CYS A HA   3  
ATOM   571  H HB2  . CYS A 1 9  ? -2.817  -7.022  2.227  1.00 24.41 ?  9  CYS A HB2  3  
ATOM   572  H HB3  . CYS A 1 9  ? -2.702  -5.563  3.204  1.00 71.44 ?  9  CYS A HB3  3  
ATOM   573  N N    . ARG A 1 10 ? -5.734  -5.229  2.729  1.00 3.34  ?  10 ARG A N    3  
ATOM   574  C CA   . ARG A 1 10 ? -6.515  -4.000  2.654  1.00 22.50 ?  10 ARG A CA   3  
ATOM   575  C C    . ARG A 1 10 ? -7.478  -3.895  3.833  1.00 41.43 ?  10 ARG A C    3  
ATOM   576  O O    . ARG A 1 10 ? -7.744  -2.803  4.333  1.00 53.40 ?  10 ARG A O    3  
ATOM   577  C CB   . ARG A 1 10 ? -7.294  -3.945  1.338  1.00 31.33 ?  10 ARG A CB   3  
ATOM   578  C CG   . ARG A 1 10 ? -8.284  -2.795  1.266  1.00 21.23 ?  10 ARG A CG   3  
ATOM   579  C CD   . ARG A 1 10 ? -9.095  -2.839  -0.021 1.00 41.14 ?  10 ARG A CD   3  
ATOM   580  N NE   . ARG A 1 10 ? -8.346  -2.308  -1.157 1.00 43.11 ?  10 ARG A NE   3  
ATOM   581  C CZ   . ARG A 1 10 ? -8.905  -1.979  -2.316 1.00 63.03 ?  10 ARG A CZ   3  
ATOM   582  N NH1  . ARG A 1 10 ? -10.211 -2.124  -2.491 1.00 13.21 1  10 ARG A NH1  3  
ATOM   583  N NH2  . ARG A 1 10 ? -8.157  -1.502  -3.304 1.00 73.00 ?  10 ARG A NH2  3  
ATOM   584  H H    . ARG A 1 10 ? -5.699  -5.821  1.949  1.00 4.50  ?  10 ARG A H    3  
ATOM   585  H HA   . ARG A 1 10 ? -5.828  -3.168  2.690  1.00 22.35 ?  10 ARG A HA   3  
ATOM   586  H HB2  . ARG A 1 10 ? -6.593  -3.840  0.523  1.00 62.12 ?  10 ARG A HB2  3  
ATOM   587  H HB3  . ARG A 1 10 ? -7.839  -4.870  1.218  1.00 64.12 ?  10 ARG A HB3  3  
ATOM   588  H HG2  . ARG A 1 10 ? -8.961  -2.860  2.105  1.00 70.13 ?  10 ARG A HG2  3  
ATOM   589  H HG3  . ARG A 1 10 ? -7.743  -1.863  1.308  1.00 3.04  ?  10 ARG A HG3  3  
ATOM   590  H HD2  . ARG A 1 10 ? -9.364  -3.864  -0.227 1.00 75.31 ?  10 ARG A HD2  3  
ATOM   591  H HD3  . ARG A 1 10 ? -9.991  -2.252  0.114  1.00 15.42 ?  10 ARG A HD3  3  
ATOM   592  H HE   . ARG A 1 10 ? -7.379  -2.193  -1.050 1.00 22.23 ?  10 ARG A HE   3  
ATOM   593  H HH11 . ARG A 1 10 ? -10.778 -2.482  -1.749 1.00 73.23 ?  10 ARG A HH11 3  
ATOM   594  H HH12 . ARG A 1 10 ? -10.630 -1.873  -3.365 1.00 55.15 ?  10 ARG A HH12 3  
ATOM   595  H HH21 . ARG A 1 10 ? -7.172  -1.392  -3.175 1.00 54.34 ?  10 ARG A HH21 3  
ATOM   596  H HH22 . ARG A 1 10 ? -8.579  -1.254  -4.176 1.00 52.33 ?  10 ARG A HH22 3  
HETATM 597  N N    . IYR A 1 11 ? -7.997  -5.037  4.270  1.00 4.14  ?  11 IYR A N    3  
HETATM 598  C CA   . IYR A 1 11 ? -8.933  -5.073  5.392  1.00 0.21  ?  11 IYR A CA   3  
HETATM 599  C CB   . IYR A 1 11 ? -9.288  -6.541  5.802  1.00 41.10 ?  11 IYR A CB   3  
HETATM 600  C CC   . IYR A 1 11 ? -10.523 -7.066  5.103  1.00 75.23 ?  11 IYR A CC   3  
HETATM 601  C CD   . IYR A 1 11 ? -10.606 -7.058  3.706  1.00 61.33 ?  11 IYR A CD   3  
HETATM 602  C CE   . IYR A 1 11 ? -11.735 -7.552  3.055  1.00 42.44 ?  11 IYR A CE   3  
HETATM 603  I IE   . IYR A 1 11 ? -11.809 -7.520  0.899  1.00 44.41 ?  11 IYR A IE   3  
HETATM 604  C CF   . IYR A 1 11 ? -12.818 -8.072  3.776  1.00 74.31 ?  11 IYR A CF   3  
HETATM 605  O OF   . IYR A 1 11 ? -13.978 -8.578  3.229  1.00 52.10 ?  11 IYR A OF   3  
HETATM 606  C CG   . IYR A 1 11 ? -12.729 -8.078  5.177  1.00 73.43 ?  11 IYR A CG   3  
HETATM 607  C CH   . IYR A 1 11 ? -11.605 -7.587  5.829  1.00 10.04 ?  11 IYR A CH   3  
HETATM 608  C C    . IYR A 1 11 ? -8.203  -4.409  6.577  1.00 25.12 ?  11 IYR A C    3  
HETATM 609  O O    . IYR A 1 11 ? -8.751  -3.529  7.240  1.00 74.52 ?  11 IYR A O    3  
HETATM 610  H H    . IYR A 1 11 ? -7.746  -5.876  3.830  1.00 14.32 ?  11 IYR A H    3  
HETATM 611  H HA   . IYR A 1 11 ? -9.838  -4.530  5.108  1.00 72.33 ?  11 IYR A HA   3  
HETATM 612  H HB2  . IYR A 1 11 ? -8.420  -7.164  5.558  1.00 11.51 ?  11 IYR A HB2  3  
HETATM 613  H HB3  . IYR A 1 11 ? -9.426  -6.569  6.887  1.00 60.32 ?  11 IYR A HB3  3  
HETATM 614  H HD   . IYR A 1 11 ? -9.786  -6.654  3.121  1.00 22.10 ?  11 IYR A HD   3  
HETATM 615  H HF   . IYR A 1 11 ? -13.964 -8.515  2.234  1.00 73.54 ?  11 IYR A HF   3  
HETATM 616  H HG   . IYR A 1 11 ? -13.571 -8.477  5.728  1.00 11.24 ?  11 IYR A HG   3  
HETATM 617  H HH   . IYR A 1 11 ? -11.565 -7.603  6.911  1.00 13.23 ?  11 IYR A HH   3  
ATOM   618  N N    . GLN A 1 12 ? -6.972  -4.844  6.824  1.00 64.22 ?  12 GLN A N    3  
ATOM   619  C CA   . GLN A 1 12 ? -6.175  -4.298  7.917  1.00 44.33 ?  12 GLN A CA   3  
ATOM   620  C C    . GLN A 1 12 ? -5.757  -2.861  7.621  1.00 33.45 ?  12 GLN A C    3  
ATOM   621  O O    . GLN A 1 12 ? -5.780  -2.003  8.503  1.00 13.21 ?  12 GLN A O    3  
ATOM   622  C CB   . GLN A 1 12 ? -4.937  -5.164  8.156  1.00 31.21 ?  12 GLN A CB   3  
ATOM   623  C CG   . GLN A 1 12 ? -4.153  -4.774  9.399  1.00 72.54 ?  12 GLN A CG   3  
ATOM   624  C CD   . GLN A 1 12 ? -4.640  -5.490  10.644 1.00 2.41  ?  12 GLN A CD   3  
ATOM   625  O OE1  . GLN A 1 12 ? -5.832  -5.758  10.794 1.00 4.14  ?  12 GLN A OE1  3  
ATOM   626  N NE2  . GLN A 1 12 ? -3.716  -5.804  11.545 1.00 42.44 ?  12 GLN A NE2  3  
ATOM   627  H H    . GLN A 1 12 ? -6.590  -5.548  6.261  1.00 63.03 ?  12 GLN A H    3  
ATOM   628  H HA   . GLN A 1 12 ? -6.786  -4.305  8.808  1.00 74.14 ?  12 GLN A HA   3  
ATOM   629  H HB2  . GLN A 1 12 ? -5.247  -6.193  8.260  1.00 65.51 ?  12 GLN A HB2  3  
ATOM   630  H HB3  . GLN A 1 12 ? -4.282  -5.077  7.303  1.00 55.52 ?  12 GLN A HB3  3  
ATOM   631  H HG2  . GLN A 1 12 ? -3.113  -5.021  9.245  1.00 33.31 ?  12 GLN A HG2  3  
ATOM   632  H HG3  . GLN A 1 12 ? -4.252  -3.710  9.552  1.00 2.55  ?  12 GLN A HG3  3  
ATOM   633  H HE21 . GLN A 1 12 ? -2.786  -5.558  11.359 1.00 20.44 ?  12 GLN A HE21 3  
ATOM   634  H HE22 . GLN A 1 12 ? -4.004  -6.266  12.360 1.00 41.34 ?  12 GLN A HE22 3  
ATOM   635  N N    . CYS A 1 13 ? -5.374  -2.608  6.374  1.00 25.25 ?  13 CYS A N    3  
ATOM   636  C CA   . CYS A 1 13 ? -4.949  -1.276  5.960  1.00 24.34 ?  13 CYS A CA   3  
ATOM   637  C C    . CYS A 1 13 ? -6.057  -0.254  6.198  1.00 61.23 ?  13 CYS A C    3  
ATOM   638  O O    . CYS A 1 13 ? -5.788  0.900   6.534  1.00 1.13  ?  13 CYS A O    3  
ATOM   639  C CB   . CYS A 1 13 ? -4.552  -1.281  4.483  1.00 11.44 ?  13 CYS A CB   3  
ATOM   640  S SG   . CYS A 1 13 ? -2.931  -0.520  4.147  1.00 70.22 ?  13 CYS A SG   3  
ATOM   641  H H    . CYS A 1 13 ? -5.377  -3.334  5.715  1.00 70.11 ?  13 CYS A H    3  
ATOM   642  H HA   . CYS A 1 13 ? -4.090  -1.002  6.554  1.00 71.43 ?  13 CYS A HA   3  
ATOM   643  H HB2  . CYS A 1 13 ? -4.514  -2.302  4.132  1.00 64.53 ?  13 CYS A HB2  3  
ATOM   644  H HB3  . CYS A 1 13 ? -5.294  -0.738  3.917  1.00 23.34 ?  13 CYS A HB3  3  
ATOM   645  N N    . TYR A 1 14 ? -7.300  -0.684  6.019  1.00 22.23 ?  14 TYR A N    3  
ATOM   646  C CA   . TYR A 1 14 ? -8.448  0.194   6.212  1.00 41.03 ?  14 TYR A CA   3  
ATOM   647  C C    . TYR A 1 14 ? -8.825  0.283   7.688  1.00 41.31 ?  14 TYR A C    3  
ATOM   648  O O    . TYR A 1 14 ? -9.713  -0.428  8.159  1.00 14.42 ?  14 TYR A O    3  
ATOM   649  C CB   . TYR A 1 14 ? -9.643  -0.308  5.398  1.00 50.31 ?  14 TYR A CB   3  
ATOM   650  C CG   . TYR A 1 14 ? -10.746 0.713   5.250  1.00 32.42 ?  14 TYR A CG   3  
ATOM   651  C CD1  . TYR A 1 14 ? -10.572 1.844   4.462  1.00 72.15 ?  14 TYR A CD1  3  
ATOM   652  C CD2  . TYR A 1 14 ? -11.965 0.548   5.897  1.00 25.42 ?  14 TYR A CD2  3  
ATOM   653  C CE1  . TYR A 1 14 ? -11.578 2.780   4.324  1.00 24.03 ?  14 TYR A CE1  3  
ATOM   654  C CE2  . TYR A 1 14 ? -12.977 1.479   5.764  1.00 41.21 ?  14 TYR A CE2  3  
ATOM   655  C CZ   . TYR A 1 14 ? -12.779 2.593   4.977  1.00 60.41 ?  14 TYR A CZ   3  
ATOM   656  O OH   . TYR A 1 14 ? -13.784 3.523   4.841  1.00 51.03 ?  14 TYR A OH   3  
ATOM   657  H H    . TYR A 1 14 ? -7.450  -1.615  5.752  1.00 44.30 ?  14 TYR A H    3  
ATOM   658  H HA   . TYR A 1 14 ? -8.175  1.178   5.862  1.00 0.44  ?  14 TYR A HA   3  
ATOM   659  H HB2  . TYR A 1 14 ? -9.307  -0.580  4.410  1.00 42.13 ?  14 TYR A HB2  3  
ATOM   660  H HB3  . TYR A 1 14 ? -10.059 -1.179  5.884  1.00 64.40 ?  14 TYR A HB3  3  
ATOM   661  H HD1  . TYR A 1 14 ? -9.631  1.987   3.952  1.00 1.23  ?  14 TYR A HD1  3  
ATOM   662  H HD2  . TYR A 1 14 ? -12.118 -0.328  6.513  1.00 52.34 ?  14 TYR A HD2  3  
ATOM   663  H HE1  . TYR A 1 14 ? -11.423 3.654   3.708  1.00 35.44 ?  14 TYR A HE1  3  
ATOM   664  H HE2  . TYR A 1 14 ? -13.918 1.332   6.275  1.00 11.21 ?  14 TYR A HE2  3  
ATOM   665  H HH   . TYR A 1 14 ? -14.004 3.884   5.703  1.00 34.25 ?  14 TYR A HH   3  
ATOM   666  N N    . LYS A 1 15 ? -8.143  1.161   8.414  1.00 31.30 ?  15 LYS A N    3  
ATOM   667  C CA   . LYS A 1 15 ? -8.405  1.348   9.836  1.00 33.13 ?  15 LYS A CA   3  
ATOM   668  C C    . LYS A 1 15 ? -9.817  1.877   10.064 1.00 75.54 ?  15 LYS A C    3  
ATOM   669  O O    . LYS A 1 15 ? -10.213 2.888   9.484  1.00 12.22 ?  15 LYS A O    3  
ATOM   670  C CB   . LYS A 1 15 ? -7.383  2.313   10.441 1.00 23.42 ?  15 LYS A CB   3  
ATOM   671  C CG   . LYS A 1 15 ? -7.094  2.050   11.909 1.00 42.22 ?  15 LYS A CG   3  
ATOM   672  C CD   . LYS A 1 15 ? -5.950  1.064   12.084 1.00 3.15  ?  15 LYS A CD   3  
ATOM   673  C CE   . LYS A 1 15 ? -6.454  -0.370  12.133 1.00 5.10  ?  15 LYS A CE   3  
ATOM   674  N NZ   . LYS A 1 15 ? -5.447  -1.291  12.727 1.00 24.11 1  15 LYS A NZ   3  
ATOM   675  H H    . LYS A 1 15 ? -7.446  1.700   7.981  1.00 14.13 ?  15 LYS A H    3  
ATOM   676  H HA   . LYS A 1 15 ? -8.310  0.387   10.319 1.00 62.33 ?  15 LYS A HA   3  
ATOM   677  H HB2  . LYS A 1 15 ? -6.456  2.229   9.893  1.00 40.30 ?  15 LYS A HB2  3  
ATOM   678  H HB3  . LYS A 1 15 ? -7.758  3.322   10.345 1.00 33.21 ?  15 LYS A HB3  3  
ATOM   679  H HG2  . LYS A 1 15 ? -6.827  2.981   12.387 1.00 44.53 ?  15 LYS A HG2  3  
ATOM   680  H HG3  . LYS A 1 15 ? -7.981  1.646   12.375 1.00 11.25 ?  15 LYS A HG3  3  
ATOM   681  H HD2  . LYS A 1 15 ? -5.268  1.166   11.253 1.00 72.23 ?  15 LYS A HD2  3  
ATOM   682  H HD3  . LYS A 1 15 ? -5.433  1.287   13.006 1.00 53.42 ?  15 LYS A HD3  3  
ATOM   683  H HE2  . LYS A 1 15 ? -7.353  -0.401  12.730 1.00 34.30 ?  15 LYS A HE2  3  
ATOM   684  H HE3  . LYS A 1 15 ? -6.678  -0.694  11.128 1.00 22.05 ?  15 LYS A HE3  3  
ATOM   685  H HZ1  . LYS A 1 15 ? -5.401  -2.173  12.176 1.00 60.33 ?  15 LYS A HZ1  3  
ATOM   686  H HZ2  . LYS A 1 15 ? -4.507  -0.844  12.724 1.00 62.45 ?  15 LYS A HZ2  3  
ATOM   687  H HZ3  . LYS A 1 15 ? -5.706  -1.522  13.707 1.00 41.22 ?  15 LYS A HZ3  3  
HETATM 688  N N    . PCA A 1 1  ? 4.458   -1.661  -4.893 1.00 11.13 ?  1  PCA A N    4  
HETATM 689  C CA   . PCA A 1 1  ? 3.940   -3.024  -4.591 1.00 24.44 ?  1  PCA A CA   4  
HETATM 690  C CB   . PCA A 1 1  ? 4.920   -3.925  -5.363 1.00 44.42 ?  1  PCA A CB   4  
HETATM 691  C CG   . PCA A 1 1  ? 6.244   -3.149  -5.341 1.00 33.24 ?  1  PCA A CG   4  
HETATM 692  C CD   . PCA A 1 1  ? 5.831   -1.693  -5.242 1.00 11.24 ?  1  PCA A CD   4  
HETATM 693  O OE   . PCA A 1 1  ? 6.534   -0.716  -5.410 1.00 22.43 ?  1  PCA A OE   4  
HETATM 694  C C    . PCA A 1 1  ? 3.941   -3.306  -3.068 1.00 35.00 ?  1  PCA A C    4  
HETATM 695  O O    . PCA A 1 1  ? 4.861   -3.931  -2.542 1.00 53.44 ?  1  PCA A O    4  
HETATM 696  H HA   . PCA A 1 1  ? 2.914   -3.088  -4.960 1.00 63.24 ?  1  PCA A HA   4  
HETATM 697  H HB2  . PCA A 1 1  ? 4.990   -4.903  -4.885 1.00 51.22 ?  1  PCA A HB2  4  
HETATM 698  H HB3  . PCA A 1 1  ? 4.573   -4.056  -6.389 1.00 62.35 ?  1  PCA A HB3  4  
HETATM 699  H HG2  . PCA A 1 1  ? 6.840   -3.391  -4.454 1.00 32.34 ?  1  PCA A HG2  4  
HETATM 700  H HG3  . PCA A 1 1  ? 6.877   -3.296  -6.222 1.00 1.32  ?  1  PCA A HG3  4  
ATOM   701  N N    . GLY A 1 2  ? 2.902   -2.837  -2.383 1.00 41.40 ?  2  GLY A N    4  
ATOM   702  C CA   . GLY A 1 2  ? 2.803   -3.045  -0.951 1.00 31.12 ?  2  GLY A CA   4  
ATOM   703  C C    . GLY A 1 2  ? 1.661   -3.969  -0.577 1.00 64.33 ?  2  GLY A C    4  
ATOM   704  O O    . GLY A 1 2  ? 0.978   -4.507  -1.448 1.00 60.30 ?  2  GLY A O    4  
ATOM   705  H H    . GLY A 1 2  ? 2.197   -2.344  -2.854 1.00 2.33  ?  2  GLY A H    4  
ATOM   706  H HA2  . GLY A 1 2  ? 3.729   -3.471  -0.595 1.00 1.55  ?  2  GLY A HA2  4  
ATOM   707  H HA3  . GLY A 1 2  ? 2.650   -2.090  -0.470 1.00 61.12 ?  2  GLY A HA3  4  
ATOM   708  N N    . CYS A 1 3  ? 1.453   -4.155  0.723  1.00 5.34  ?  3  CYS A N    4  
ATOM   709  C CA   . CYS A 1 3  ? 0.388   -5.022  1.211  1.00 74.31 ?  3  CYS A CA   4  
ATOM   710  C C    . CYS A 1 3  ? -0.958  -4.305  1.170  1.00 50.31 ?  3  CYS A C    4  
ATOM   711  O O    . CYS A 1 3  ? -1.991  -4.914  0.888  1.00 54.34 ?  3  CYS A O    4  
ATOM   712  C CB   . CYS A 1 3  ? 0.691   -5.482  2.638  1.00 62.42 ?  3  CYS A CB   4  
ATOM   713  S SG   . CYS A 1 3  ? 0.148   -7.182  3.002  1.00 34.43 ?  3  CYS A SG   4  
ATOM   714  H H    . CYS A 1 3  ? 2.032   -3.698  1.370  1.00 52.12 ?  3  CYS A H    4  
ATOM   715  H HA   . CYS A 1 3  ? 0.341   -5.886  0.566  1.00 31.55 ?  3  CYS A HA   4  
ATOM   716  H HB2  . CYS A 1 3  ? 1.757   -5.435  2.805  1.00 65.14 ?  3  CYS A HB2  4  
ATOM   717  H HB3  . CYS A 1 3  ? 0.194   -4.822  3.334  1.00 35.30 ?  3  CYS A HB3  4  
ATOM   718  N N    . CYS A 1 4  ? -0.939  -3.007  1.455  1.00 4.35  ?  4  CYS A N    4  
ATOM   719  C CA   . CYS A 1 4  ? -2.157  -2.205  1.451  1.00 71.11 ?  4  CYS A CA   4  
ATOM   720  C C    . CYS A 1 4  ? -2.905  -2.358  0.130  1.00 22.25 ?  4  CYS A C    4  
ATOM   721  O O    . CYS A 1 4  ? -4.133  -2.261  0.082  1.00 50.41 ?  4  CYS A O    4  
ATOM   722  C CB   . CYS A 1 4  ? -1.824  -0.732  1.693  1.00 32.54 ?  4  CYS A CB   4  
ATOM   723  S SG   . CYS A 1 4  ? -3.182  0.225   2.440  1.00 53.23 ?  4  CYS A SG   4  
ATOM   724  H H    . CYS A 1 4  ? -0.085  -2.577  1.671  1.00 63.22 ?  4  CYS A H    4  
ATOM   725  H HA   . CYS A 1 4  ? -2.789  -2.559  2.251  1.00 41.04 ?  4  CYS A HA   4  
ATOM   726  H HB2  . CYS A 1 4  ? -0.975  -0.667  2.357  1.00 64.22 ?  4  CYS A HB2  4  
ATOM   727  H HB3  . CYS A 1 4  ? -1.573  -0.267  0.750  1.00 55.24 ?  4  CYS A HB3  4  
ATOM   728  N N    . THR A 1 5  ? -2.158  -2.600  -0.944 1.00 33.14 ?  5  THR A N    4  
ATOM   729  C CA   . THR A 1 5  ? -2.749  -2.765  -2.265 1.00 53.20 ?  5  THR A CA   4  
ATOM   730  C C    . THR A 1 5  ? -3.542  -4.065  -2.354 1.00 2.14  ?  5  THR A C    4  
ATOM   731  O O    . THR A 1 5  ? -4.525  -4.155  -3.090 1.00 45.33 ?  5  THR A O    4  
ATOM   732  C CB   . THR A 1 5  ? -1.672  -2.758  -3.367 1.00 34.35 ?  5  THR A CB   4  
ATOM   733  O OG1  . THR A 1 5  ? -0.884  -3.951  -3.291 1.00 72.22 ?  5  THR A OG1  4  
ATOM   734  C CG2  . THR A 1 5  ? -0.771  -1.540  -3.234 1.00 23.04 ?  5  THR A CG2  4  
ATOM   735  H H    . THR A 1 5  ? -1.186  -2.667  -0.841 1.00 60.31 ?  5  THR A H    4  
ATOM   736  H HA   . THR A 1 5  ? -3.418  -1.935  -2.438 1.00 24.12 ?  5  THR A HA   4  
ATOM   737  H HB   . THR A 1 5  ? -2.163  -2.720  -4.329 1.00 23.31 ?  5  THR A HB   4  
ATOM   738  H HG1  . THR A 1 5  ? -0.141  -3.806  -2.700 1.00 50.44 ?  5  THR A HG1  4  
ATOM   739  H HG21 . THR A 1 5  ? -1.374  -0.666  -3.034 1.00 45.03 ?  5  THR A HG21 4  
ATOM   740  H HG22 . THR A 1 5  ? -0.077  -1.692  -2.420 1.00 42.20 ?  5  THR A HG22 4  
ATOM   741  H HG23 . THR A 1 5  ? -0.222  -1.395  -4.153 1.00 23.13 ?  5  THR A HG23 4  
ATOM   742  N N    . ASP A 1 6  ? -3.108  -5.070  -1.600 1.00 3.10  ?  6  ASP A N    4  
ATOM   743  C CA   . ASP A 1 6  ? -3.779  -6.364  -1.593 1.00 50.31 ?  6  ASP A CA   4  
ATOM   744  C C    . ASP A 1 6  ? -5.072  -6.302  -0.787 1.00 20.41 ?  6  ASP A C    4  
ATOM   745  O O    . ASP A 1 6  ? -5.212  -5.511  0.147  1.00 44.31 ?  6  ASP A O    4  
ATOM   746  C CB   . ASP A 1 6  ? -2.854  -7.438  -1.017 1.00 73.24 ?  6  ASP A CB   4  
ATOM   747  C CG   . ASP A 1 6  ? -1.865  -7.960  -2.040 1.00 24.01 ?  6  ASP A CG   4  
ATOM   748  O OD1  . ASP A 1 6  ? -1.230  -7.133  -2.727 1.00 3.32  ?  6  ASP A OD1  4  
ATOM   749  O OD2  . ASP A 1 6  ? -1.725  -9.196  -2.154 1.00 15.43 -1 6  ASP A OD2  4  
ATOM   750  H H    . ASP A 1 6  ? -2.318  -4.936  -1.035 1.00 22.03 ?  6  ASP A H    4  
ATOM   751  H HA   . ASP A 1 6  ? -4.018  -6.619  -2.614 1.00 52.23 ?  6  ASP A HA   4  
ATOM   752  H HB2  . ASP A 1 6  ? -2.301  -7.020  -0.189 1.00 62.22 ?  6  ASP A HB2  4  
ATOM   753  H HB3  . ASP A 1 6  ? -3.451  -8.266  -0.664 1.00 75.25 ?  6  ASP A HB3  4  
ATOM   754  N N    . PRO A 1 7  ? -6.040  -7.154  -1.153 1.00 4.05  ?  7  PRO A N    4  
ATOM   755  C CA   . PRO A 1 7  ? -7.339  -7.215  -0.477 1.00 44.51 ?  7  PRO A CA   4  
ATOM   756  C C    . PRO A 1 7  ? -7.233  -7.789  0.932  1.00 2.22  ?  7  PRO A C    4  
ATOM   757  O O    . PRO A 1 7  ? -7.812  -7.252  1.877  1.00 33.15 ?  7  PRO A O    4  
ATOM   758  C CB   . PRO A 1 7  ? -8.162  -8.145  -1.372 1.00 22.34 ?  7  PRO A CB   4  
ATOM   759  C CG   . PRO A 1 7  ? -7.154  -8.994  -2.065 1.00 41.54 ?  7  PRO A CG   4  
ATOM   760  C CD   . PRO A 1 7  ? -5.941  -8.125  -2.256 1.00 33.00 ?  7  PRO A CD   4  
ATOM   761  H HA   . PRO A 1 7  ? -7.810  -6.244  -0.434 1.00 64.43 ?  7  PRO A HA   4  
ATOM   762  H HB2  . PRO A 1 7  ? -8.828  -8.739  -0.763 1.00 50.11 ?  7  PRO A HB2  4  
ATOM   763  H HB3  . PRO A 1 7  ? -8.735  -7.559  -2.076 1.00 12.35 ?  7  PRO A HB3  4  
ATOM   764  H HG2  . PRO A 1 7  ? -6.909  -9.848  -1.453 1.00 2.22  ?  7  PRO A HG2  4  
ATOM   765  H HG3  . PRO A 1 7  ? -7.539  -9.314  -3.022 1.00 75.12 ?  7  PRO A HG3  4  
ATOM   766  H HD2  . PRO A 1 7  ? -5.039  -8.712  -2.174 1.00 2.45  ?  7  PRO A HD2  4  
ATOM   767  H HD3  . PRO A 1 7  ? -5.982  -7.625  -3.213 1.00 65.12 ?  7  PRO A HD3  4  
ATOM   768  N N    . ARG A 1 8  ? -6.490  -8.883  1.066  1.00 31.05 ?  8  ARG A N    4  
ATOM   769  C CA   . ARG A 1 8  ? -6.308  -9.530  2.360  1.00 53.43 ?  8  ARG A CA   4  
ATOM   770  C C    . ARG A 1 8  ? -5.726  -8.555  3.378  1.00 65.42 ?  8  ARG A C    4  
ATOM   771  O O    . ARG A 1 8  ? -6.068  -8.597  4.561  1.00 24.44 ?  8  ARG A O    4  
ATOM   772  C CB   . ARG A 1 8  ? -5.392  -10.747 2.221  1.00 63.11 ?  8  ARG A CB   4  
ATOM   773  C CG   . ARG A 1 8  ? -4.114  -10.462 1.450  1.00 71.54 ?  8  ARG A CG   4  
ATOM   774  C CD   . ARG A 1 8  ? -3.134  -11.621 1.548  1.00 24.33 ?  8  ARG A CD   4  
ATOM   775  N NE   . ARG A 1 8  ? -3.720  -12.875 1.081  1.00 70.34 ?  8  ARG A NE   4  
ATOM   776  C CZ   . ARG A 1 8  ? -3.875  -13.180 -0.203 1.00 35.53 ?  8  ARG A CZ   4  
ATOM   777  N NH1  . ARG A 1 8  ? -3.488  -12.327 -1.141 1.00 63.04 1  8  ARG A NH1  4  
ATOM   778  N NH2  . ARG A 1 8  ? -4.416  -14.341 -0.549 1.00 10.15 ?  8  ARG A NH2  4  
ATOM   779  H H    . ARG A 1 8  ? -6.053  -9.264  0.276  1.00 64.21 ?  8  ARG A H    4  
ATOM   780  H HA   . ARG A 1 8  ? -7.277  -9.858  2.706  1.00 73.52 ?  8  ARG A HA   4  
ATOM   781  H HB2  . ARG A 1 8  ? -5.121  -11.093 3.208  1.00 61.45 ?  8  ARG A HB2  4  
ATOM   782  H HB3  . ARG A 1 8  ? -5.929  -11.531 1.709  1.00 40.11 ?  8  ARG A HB3  4  
ATOM   783  H HG2  . ARG A 1 8  ? -4.360  -10.300 0.411  1.00 53.32 ?  8  ARG A HG2  4  
ATOM   784  H HG3  . ARG A 1 8  ? -3.651  -9.575  1.855  1.00 30.32 ?  8  ARG A HG3  4  
ATOM   785  H HD2  . ARG A 1 8  ? -2.267  -11.394 0.947  1.00 53.54 ?  8  ARG A HD2  4  
ATOM   786  H HD3  . ARG A 1 8  ? -2.836  -11.737 2.580  1.00 33.33 ?  8  ARG A HD3  4  
ATOM   787  H HE   . ARG A 1 8  ? -4.013  -13.519 1.757  1.00 23.04 ?  8  ARG A HE   4  
ATOM   788  H HH11 . ARG A 1 8  ? -3.079  -11.453 -0.883 1.00 14.24 ?  8  ARG A HH11 4  
ATOM   789  H HH12 . ARG A 1 8  ? -3.604  -12.561 -2.107 1.00 53.33 ?  8  ARG A HH12 4  
ATOM   790  H HH21 . ARG A 1 8  ? -4.709  -14.985 0.155  1.00 72.15 ?  8  ARG A HH21 4  
ATOM   791  H HH22 . ARG A 1 8  ? -4.533  -14.569 -1.515 1.00 51.31 ?  8  ARG A HH22 4  
ATOM   792  N N    . CYS A 1 9  ? -4.845  -7.676  2.912  1.00 23.53 ?  9  CYS A N    4  
ATOM   793  C CA   . CYS A 1 9  ? -4.214  -6.690  3.781  1.00 21.11 ?  9  CYS A CA   4  
ATOM   794  C C    . CYS A 1 9  ? -5.068  -5.430  3.885  1.00 22.01 ?  9  CYS A C    4  
ATOM   795  O O    . CYS A 1 9  ? -5.108  -4.779  4.928  1.00 24.12 ?  9  CYS A O    4  
ATOM   796  C CB   . CYS A 1 9  ? -2.822  -6.333  3.256  1.00 13.23 ?  9  CYS A CB   4  
ATOM   797  S SG   . CYS A 1 9  ? -1.455  -7.043  4.230  1.00 54.11 ?  9  CYS A SG   4  
ATOM   798  H H    . CYS A 1 9  ? -4.614  -7.690  1.959  1.00 40.33 ?  9  CYS A H    4  
ATOM   799  H HA   . CYS A 1 9  ? -4.118  -7.126  4.764  1.00 20.44 ?  9  CYS A HA   4  
ATOM   800  H HB2  . CYS A 1 9  ? -2.724  -6.695  2.243  1.00 24.41 ?  9  CYS A HB2  4  
ATOM   801  H HB3  . CYS A 1 9  ? -2.708  -5.259  3.261  1.00 71.44 ?  9  CYS A HB3  4  
ATOM   802  N N    . ARG A 1 10 ? -5.751  -5.093  2.795  1.00 3.34  ?  10 ARG A N    4  
ATOM   803  C CA   . ARG A 1 10 ? -6.604  -3.911  2.763  1.00 22.50 ?  10 ARG A CA   4  
ATOM   804  C C    . ARG A 1 10 ? -7.569  -3.904  3.945  1.00 41.43 ?  10 ARG A C    4  
ATOM   805  O O    . ARG A 1 10 ? -7.896  -2.847  4.485  1.00 53.40 ?  10 ARG A O    4  
ATOM   806  C CB   . ARG A 1 10 ? -7.389  -3.858  1.451  1.00 31.33 ?  10 ARG A CB   4  
ATOM   807  C CG   . ARG A 1 10 ? -8.313  -2.656  1.342  1.00 21.23 ?  10 ARG A CG   4  
ATOM   808  C CD   . ARG A 1 10 ? -7.545  -1.395  0.979  1.00 41.14 ?  10 ARG A CD   4  
ATOM   809  N NE   . ARG A 1 10 ? -7.253  -0.575  2.151  1.00 43.11 ?  10 ARG A NE   4  
ATOM   810  C CZ   . ARG A 1 10 ? -6.904  0.705   2.085  1.00 63.03 ?  10 ARG A CZ   4  
ATOM   811  N NH1  . ARG A 1 10 ? -6.805  1.308   0.908  1.00 13.21 1  10 ARG A NH1  4  
ATOM   812  N NH2  . ARG A 1 10 ? -6.655  1.385   3.196  1.00 73.00 ?  10 ARG A NH2  4  
ATOM   813  H H    . ARG A 1 10 ? -5.679  -5.652  1.994  1.00 4.50  ?  10 ARG A H    4  
ATOM   814  H HA   . ARG A 1 10 ? -5.968  -3.041  2.827  1.00 22.35 ?  10 ARG A HA   4  
ATOM   815  H HB2  . ARG A 1 10 ? -6.690  -3.823  0.628  1.00 62.12 ?  10 ARG A HB2  4  
ATOM   816  H HB3  . ARG A 1 10 ? -7.987  -4.753  1.368  1.00 64.12 ?  10 ARG A HB3  4  
ATOM   817  H HG2  . ARG A 1 10 ? -9.051  -2.848  0.577  1.00 70.13 ?  10 ARG A HG2  4  
ATOM   818  H HG3  . ARG A 1 10 ? -8.807  -2.506  2.291  1.00 3.04  ?  10 ARG A HG3  4  
ATOM   819  H HD2  . ARG A 1 10 ? -6.615  -1.678  0.509  1.00 75.31 ?  10 ARG A HD2  4  
ATOM   820  H HD3  . ARG A 1 10 ? -8.137  -0.817  0.285  1.00 15.42 ?  10 ARG A HD3  4  
ATOM   821  H HE   . ARG A 1 10 ? -7.321  -1.000  3.032  1.00 22.23 ?  10 ARG A HE   4  
ATOM   822  H HH11 . ARG A 1 10 ? -6.993  0.799   0.069  1.00 73.23 ?  10 ARG A HH11 4  
ATOM   823  H HH12 . ARG A 1 10 ? -6.543  2.272   0.861  1.00 55.15 ?  10 ARG A HH12 4  
ATOM   824  H HH21 . ARG A 1 10 ? -6.729  0.934   4.086  1.00 54.34 ?  10 ARG A HH21 4  
ATOM   825  H HH22 . ARG A 1 10 ? -6.391  2.348   3.145  1.00 52.33 ?  10 ARG A HH22 4  
HETATM 826  N N    . IYR A 1 11 ? -8.019  -5.089  4.343  1.00 4.14  ?  11 IYR A N    4  
HETATM 827  C CA   . IYR A 1 11 ? -8.947  -5.220  5.463  1.00 0.21  ?  11 IYR A CA   4  
HETATM 828  C CB   . IYR A 1 11 ? -9.215  -6.719  5.821  1.00 41.10 ?  11 IYR A CB   4  
HETATM 829  C CC   . IYR A 1 11 ? -10.427 -7.287  5.116  1.00 75.23 ?  11 IYR A CC   4  
HETATM 830  C CD   . IYR A 1 11 ? -10.523 -7.246  3.721  1.00 61.33 ?  11 IYR A CD   4  
HETATM 831  C CE   . IYR A 1 11 ? -11.631 -7.777  3.064  1.00 42.44 ?  11 IYR A CE   4  
HETATM 832  I IE   . IYR A 1 11 ? -11.724 -7.691  0.909  1.00 44.41 ?  11 IYR A IE   4  
HETATM 833  C CF   . IYR A 1 11 ? -12.681 -8.369  3.778  1.00 74.31 ?  11 IYR A CF   4  
HETATM 834  O OF   . IYR A 1 11 ? -13.819 -8.917  3.225  1.00 52.10 ?  11 IYR A OF   4  
HETATM 835  C CG   . IYR A 1 11 ? -12.581 -8.408  5.178  1.00 73.43 ?  11 IYR A CG   4  
HETATM 836  C CH   . IYR A 1 11 ? -11.478 -7.880  5.835  1.00 10.04 ?  11 IYR A CH   4  
HETATM 837  C C    . IYR A 1 11 ? -8.255  -4.558  6.670  1.00 25.12 ?  11 IYR A C    4  
HETATM 838  O O    . IYR A 1 11 ? -8.847  -3.728  7.359  1.00 74.52 ?  11 IYR A O    4  
HETATM 839  H H    . IYR A 1 11 ? -7.721  -5.895  3.872  1.00 14.32 ?  11 IYR A H    4  
HETATM 840  H HA   . IYR A 1 11 ? -9.883  -4.721  5.200  1.00 72.33 ?  11 IYR A HA   4  
HETATM 841  H HB2  . IYR A 1 11 ? -8.318  -7.284  5.544  1.00 11.51 ?  11 IYR A HB2  4  
HETATM 842  H HB3  . IYR A 1 11 ? -9.337  -6.795  6.907  1.00 60.32 ?  11 IYR A HB3  4  
HETATM 843  H HD   . IYR A 1 11 ? -9.729  -6.785  3.142  1.00 22.10 ?  11 IYR A HD   4  
HETATM 844  H HF   . IYR A 1 11 ? -14.230 -9.587  3.839  1.00 73.54 ?  11 IYR A HF   4  
HETATM 845  H HG   . IYR A 1 11 ? -13.398 -8.863  5.725  1.00 11.24 ?  11 IYR A HG   4  
HETATM 846  H HH   . IYR A 1 11 ? -11.428 -7.923  6.917  1.00 13.23 ?  11 IYR A HH   4  
ATOM   847  N N    . GLN A 1 12 ? -7.002  -4.935  6.908  1.00 64.22 ?  12 GLN A N    4  
ATOM   848  C CA   . GLN A 1 12 ? -6.237  -4.383  8.019  1.00 44.33 ?  12 GLN A CA   4  
ATOM   849  C C    . GLN A 1 12 ? -5.906  -2.915  7.776  1.00 33.45 ?  12 GLN A C    4  
ATOM   850  O O    . GLN A 1 12 ? -5.980  -2.091  8.689  1.00 13.21 ?  12 GLN A O    4  
ATOM   851  C CB   . GLN A 1 12 ? -4.948  -5.181  8.223  1.00 31.21 ?  12 GLN A CB   4  
ATOM   852  C CG   . GLN A 1 12 ? -4.216  -4.837  9.511  1.00 72.54 ?  12 GLN A CG   4  
ATOM   853  C CD   . GLN A 1 12 ? -3.383  -5.990  10.035 1.00 2.41  ?  12 GLN A CD   4  
ATOM   854  O OE1  . GLN A 1 12 ? -3.789  -6.696  10.958 1.00 4.14  ?  12 GLN A OE1  4  
ATOM   855  N NE2  . GLN A 1 12 ? -2.208  -6.186  9.447  1.00 42.44 ?  12 GLN A NE2  4  
ATOM   856  H H    . GLN A 1 12 ? -6.584  -5.600  6.323  1.00 63.03 ?  12 GLN A H    4  
ATOM   857  H HA   . GLN A 1 12 ? -6.841  -4.460  8.909  1.00 74.14 ?  12 GLN A HA   4  
ATOM   858  H HB2  . GLN A 1 12 ? -5.189  -6.233  8.242  1.00 65.51 ?  12 GLN A HB2  4  
ATOM   859  H HB3  . GLN A 1 12 ? -4.282  -4.987  7.395  1.00 55.52 ?  12 GLN A HB3  4  
ATOM   860  H HG2  . GLN A 1 12 ? -3.565  -3.996  9.327  1.00 33.31 ?  12 GLN A HG2  4  
ATOM   861  H HG3  . GLN A 1 12 ? -4.945  -4.568  10.263 1.00 2.55  ?  12 GLN A HG3  4  
ATOM   862  H HE21 . GLN A 1 12 ? -1.949  -5.583  8.719  1.00 20.44 ?  12 GLN A HE21 4  
ATOM   863  H HE22 . GLN A 1 12 ? -1.648  -6.923  9.766  1.00 41.34 ?  12 GLN A HE22 4  
ATOM   864  N N    . CYS A 1 13 ? -5.540  -2.591  6.540  1.00 25.25 ?  13 CYS A N    4  
ATOM   865  C CA   . CYS A 1 13 ? -5.197  -1.222  6.177  1.00 24.34 ?  13 CYS A CA   4  
ATOM   866  C C    . CYS A 1 13 ? -6.364  -0.278  6.450  1.00 61.23 ?  13 CYS A C    4  
ATOM   867  O O    . CYS A 1 13 ? -6.166  0.876   6.829  1.00 1.13  ?  13 CYS A O    4  
ATOM   868  C CB   . CYS A 1 13 ? -4.802  -1.148  4.701  1.00 11.44 ?  13 CYS A CB   4  
ATOM   869  S SG   . CYS A 1 13 ? -3.268  -0.216  4.388  1.00 70.22 ?  13 CYS A SG   4  
ATOM   870  H H    . CYS A 1 13 ? -5.499  -3.293  5.855  1.00 70.11 ?  13 CYS A H    4  
ATOM   871  H HA   . CYS A 1 13 ? -4.355  -0.919  6.782  1.00 71.43 ?  13 CYS A HA   4  
ATOM   872  H HB2  . CYS A 1 13 ? -4.659  -2.150  4.324  1.00 64.53 ?  13 CYS A HB2  4  
ATOM   873  H HB3  . CYS A 1 13 ? -5.597  -0.671  4.147  1.00 23.34 ?  13 CYS A HB3  4  
ATOM   874  N N    . TYR A 1 14 ? -7.579  -0.778  6.257  1.00 22.23 ?  14 TYR A N    4  
ATOM   875  C CA   . TYR A 1 14 ? -8.778  0.021   6.479  1.00 41.03 ?  14 TYR A CA   4  
ATOM   876  C C    . TYR A 1 14 ? -9.257  -0.106  7.923  1.00 41.31 ?  14 TYR A C    4  
ATOM   877  O O    . TYR A 1 14 ? -9.925  -1.074  8.286  1.00 14.42 ?  14 TYR A O    4  
ATOM   878  C CB   . TYR A 1 14 ? -9.891  -0.412  5.522  1.00 50.31 ?  14 TYR A CB   4  
ATOM   879  C CG   . TYR A 1 14 ? -10.837 0.706   5.150  1.00 32.42 ?  14 TYR A CG   4  
ATOM   880  C CD1  . TYR A 1 14 ? -11.076 1.025   3.818  1.00 72.15 ?  14 TYR A CD1  4  
ATOM   881  C CD2  . TYR A 1 14 ? -11.493 1.444   6.127  1.00 25.42 ?  14 TYR A CD2  4  
ATOM   882  C CE1  . TYR A 1 14 ? -11.940 2.046   3.472  1.00 24.03 ?  14 TYR A CE1  4  
ATOM   883  C CE2  . TYR A 1 14 ? -12.359 2.466   5.790  1.00 41.21 ?  14 TYR A CE2  4  
ATOM   884  C CZ   . TYR A 1 14 ? -12.580 2.763   4.462  1.00 60.41 ?  14 TYR A CZ   4  
ATOM   885  O OH   . TYR A 1 14 ? -13.441 3.781   4.122  1.00 51.03 ?  14 TYR A OH   4  
ATOM   886  H H    . TYR A 1 14 ? -7.673  -1.705  5.954  1.00 44.30 ?  14 TYR A H    4  
ATOM   887  H HA   . TYR A 1 14 ? -8.531  1.054   6.284  1.00 0.44  ?  14 TYR A HA   4  
ATOM   888  H HB2  . TYR A 1 14 ? -9.447  -0.788  4.613  1.00 42.13 ?  14 TYR A HB2  4  
ATOM   889  H HB3  . TYR A 1 14 ? -10.470 -1.197  5.986  1.00 64.40 ?  14 TYR A HB3  4  
ATOM   890  H HD1  . TYR A 1 14 ? -10.574 0.461   3.045  1.00 1.23  ?  14 TYR A HD1  4  
ATOM   891  H HD2  . TYR A 1 14 ? -11.318 1.209   7.168  1.00 52.34 ?  14 TYR A HD2  4  
ATOM   892  H HE1  . TYR A 1 14 ? -12.113 2.280   2.431  1.00 35.44 ?  14 TYR A HE1  4  
ATOM   893  H HE2  . TYR A 1 14 ? -12.860 3.028   6.565  1.00 11.21 ?  14 TYR A HE2  4  
ATOM   894  H HH   . TYR A 1 14 ? -13.078 4.273   3.382  1.00 34.25 ?  14 TYR A HH   4  
ATOM   895  N N    . LYS A 1 15 ? -8.909  0.880   8.743  1.00 31.30 ?  15 LYS A N    4  
ATOM   896  C CA   . LYS A 1 15 ? -9.303  0.883   10.147 1.00 33.13 ?  15 LYS A CA   4  
ATOM   897  C C    . LYS A 1 15 ? -10.735 1.382   10.310 1.00 75.54 ?  15 LYS A C    4  
ATOM   898  O O    . LYS A 1 15 ? -11.383 1.118   11.323 1.00 12.22 ?  15 LYS A O    4  
ATOM   899  C CB   . LYS A 1 15 ? -8.350  1.761   10.963 1.00 23.42 ?  15 LYS A CB   4  
ATOM   900  C CG   . LYS A 1 15 ? -8.587  1.684   12.461 1.00 42.22 ?  15 LYS A CG   4  
ATOM   901  C CD   . LYS A 1 15 ? -8.300  0.294   13.001 1.00 3.15  ?  15 LYS A CD   4  
ATOM   902  C CE   . LYS A 1 15 ? -6.832  -0.073  12.845 1.00 5.10  ?  15 LYS A CE   4  
ATOM   903  N NZ   . LYS A 1 15 ? -6.497  -1.337  13.558 1.00 24.11 1  15 LYS A NZ   4  
ATOM   904  H H    . LYS A 1 15 ? -8.375  1.625   8.395  1.00 14.13 ?  15 LYS A H    4  
ATOM   905  H HA   . LYS A 1 15 ? -9.244  -0.131  10.510 1.00 62.33 ?  15 LYS A HA   4  
ATOM   906  H HB2  . LYS A 1 15 ? -7.336  1.452   10.763 1.00 40.30 ?  15 LYS A HB2  4  
ATOM   907  H HB3  . LYS A 1 15 ? -8.472  2.789   10.653 1.00 33.21 ?  15 LYS A HB3  4  
ATOM   908  H HG2  . LYS A 1 15 ? -7.938  2.392   12.955 1.00 44.53 ?  15 LYS A HG2  4  
ATOM   909  H HG3  . LYS A 1 15 ? -9.617  1.936   12.668 1.00 11.25 ?  15 LYS A HG3  4  
ATOM   910  H HD2  . LYS A 1 15 ? -8.558  0.263   14.049 1.00 72.23 ?  15 LYS A HD2  4  
ATOM   911  H HD3  . LYS A 1 15 ? -8.901  -0.424  12.460 1.00 53.42 ?  15 LYS A HD3  4  
ATOM   912  H HE2  . LYS A 1 15 ? -6.614  -0.194  11.796 1.00 34.30 ?  15 LYS A HE2  4  
ATOM   913  H HE3  . LYS A 1 15 ? -6.231  0.728   13.248 1.00 22.05 ?  15 LYS A HE3  4  
ATOM   914  H HZ1  . LYS A 1 15 ? -6.830  -1.291  14.543 1.00 60.33 ?  15 LYS A HZ1  4  
ATOM   915  H HZ2  . LYS A 1 15 ? -6.954  -2.145  13.088 1.00 62.45 ?  15 LYS A HZ2  4  
ATOM   916  H HZ3  . LYS A 1 15 ? -5.468  -1.485  13.558 1.00 41.22 ?  15 LYS A HZ3  4  
HETATM 917  N N    . PCA A 1 1  ? 4.265   -1.399  -5.002 1.00 11.13 ?  1  PCA A N    5  
HETATM 918  C CA   . PCA A 1 1  ? 4.282   -2.693  -4.267 1.00 24.44 ?  1  PCA A CA   5  
HETATM 919  C CB   . PCA A 1 1  ? 5.682   -3.253  -4.527 1.00 44.42 ?  1  PCA A CB   5  
HETATM 920  C CG   . PCA A 1 1  ? 6.113   -2.610  -5.850 1.00 33.24 ?  1  PCA A CG   5  
HETATM 921  C CD   . PCA A 1 1  ? 5.355   -1.296  -5.901 1.00 11.24 ?  1  PCA A CD   5  
HETATM 922  O OE   . PCA A 1 1  ? 5.623   -0.318  -6.570 1.00 22.43 ?  1  PCA A OE   5  
HETATM 923  C C    . PCA A 1 1  ? 4.013   -2.492  -2.755 1.00 35.00 ?  1  PCA A C    5  
HETATM 924  O O    . PCA A 1 1  ? 4.872   -2.006  -2.021 1.00 53.44 ?  1  PCA A O    5  
HETATM 925  H HA   . PCA A 1 1  ? 3.499   -3.332  -4.683 1.00 63.24 ?  1  PCA A HA   5  
HETATM 926  H HB2  . PCA A 1 1  ? 6.353   -3.017  -3.698 1.00 51.22 ?  1  PCA A HB2  5  
HETATM 927  H HB3  . PCA A 1 1  ? 5.619   -4.337  -4.632 1.00 62.35 ?  1  PCA A HB3  5  
HETATM 928  H HG2  . PCA A 1 1  ? 7.184   -2.380  -5.859 1.00 32.34 ?  1  PCA A HG2  5  
HETATM 929  H HG3  . PCA A 1 1  ? 5.888   -3.201  -6.744 1.00 1.32  ?  1  PCA A HG3  5  
ATOM   930  N N    . GLY A 1 2  ? 2.816   -2.872  -2.317 1.00 41.40 ?  2  GLY A N    5  
ATOM   931  C CA   . GLY A 1 2  ? 2.459   -2.728  -0.918 1.00 31.12 ?  2  GLY A CA   5  
ATOM   932  C C    . GLY A 1 2  ? 1.289   -3.608  -0.525 1.00 64.33 ?  2  GLY A C    5  
ATOM   933  O O    . GLY A 1 2  ? 0.306   -3.712  -1.259 1.00 60.30 ?  2  GLY A O    5  
ATOM   934  H H    . GLY A 1 2  ? 2.171   -3.253  -2.949 1.00 2.33  ?  2  GLY A H    5  
ATOM   935  H HA2  . GLY A 1 2  ? 3.313   -2.990  -0.311 1.00 1.55  ?  2  GLY A HA2  5  
ATOM   936  H HA3  . GLY A 1 2  ? 2.198   -1.696  -0.729 1.00 61.12 ?  2  GLY A HA3  5  
ATOM   937  N N    . CYS A 1 3  ? 1.394   -4.245  0.637  1.00 5.34  ?  3  CYS A N    5  
ATOM   938  C CA   . CYS A 1 3  ? 0.337   -5.123  1.126  1.00 74.31 ?  3  CYS A CA   5  
ATOM   939  C C    . CYS A 1 3  ? -1.013  -4.412  1.106  1.00 50.31 ?  3  CYS A C    5  
ATOM   940  O O    . CYS A 1 3  ? -2.046  -5.027  0.843  1.00 54.34 ?  3  CYS A O    5  
ATOM   941  C CB   . CYS A 1 3  ? 0.656   -5.597  2.545  1.00 62.42 ?  3  CYS A CB   5  
ATOM   942  S SG   . CYS A 1 3  ? 0.141   -7.310  2.891  1.00 34.43 ?  3  CYS A SG   5  
ATOM   943  H H    . CYS A 1 3  ? 2.202   -4.122  1.178  1.00 52.12 ?  3  CYS A H    5  
ATOM   944  H HA   . CYS A 1 3  ? 0.289   -5.980  0.472  1.00 31.55 ?  3  CYS A HA   5  
ATOM   945  H HB2  . CYS A 1 3  ? 1.723   -5.536  2.705  1.00 65.14 ?  3  CYS A HB2  5  
ATOM   946  H HB3  . CYS A 1 3  ? 0.154   -4.953  3.252  1.00 35.30 ?  3  CYS A HB3  5  
ATOM   947  N N    . CYS A 1 4  ? -0.996  -3.113  1.387  1.00 4.35  ?  4  CYS A N    5  
ATOM   948  C CA   . CYS A 1 4  ? -2.217  -2.318  1.403  1.00 71.11 ?  4  CYS A CA   5  
ATOM   949  C C    . CYS A 1 4  ? -2.988  -2.479  0.096  1.00 22.25 ?  4  CYS A C    5  
ATOM   950  O O    . CYS A 1 4  ? -4.216  -2.391  0.070  1.00 50.41 ?  4  CYS A O    5  
ATOM   951  C CB   . CYS A 1 4  ? -1.886  -0.842  1.633  1.00 32.54 ?  4  CYS A CB   5  
ATOM   952  S SG   . CYS A 1 4  ? -3.236  0.111   2.400  1.00 53.23 ?  4  CYS A SG   5  
ATOM   953  H H    . CYS A 1 4  ? -0.140  -2.679  1.589  1.00 63.22 ?  4  CYS A H    5  
ATOM   954  H HA   . CYS A 1 4  ? -2.833  -2.670  2.215  1.00 41.04 ?  4  CYS A HA   5  
ATOM   955  H HB2  . CYS A 1 4  ? -1.025  -0.771  2.282  1.00 64.22 ?  4  CYS A HB2  5  
ATOM   956  H HB3  . CYS A 1 4  ? -1.654  -0.380  0.685  1.00 55.24 ?  4  CYS A HB3  5  
ATOM   957  N N    . THR A 1 5  ? -2.258  -2.716  -0.990 1.00 33.14 ?  5  THR A N    5  
ATOM   958  C CA   . THR A 1 5  ? -2.872  -2.889  -2.301 1.00 53.20 ?  5  THR A CA   5  
ATOM   959  C C    . THR A 1 5  ? -3.655  -4.195  -2.373 1.00 2.14  ?  5  THR A C    5  
ATOM   960  O O    . THR A 1 5  ? -4.650  -4.293  -3.091 1.00 45.33 ?  5  THR A O    5  
ATOM   961  C CB   . THR A 1 5  ? -1.816  -2.874  -3.422 1.00 34.35 ?  5  THR A CB   5  
ATOM   962  O OG1  . THR A 1 5  ? -1.082  -4.104  -3.421 1.00 72.22 ?  5  THR A OG1  5  
ATOM   963  C CG2  . THR A 1 5  ? -0.857  -1.706  -3.247 1.00 23.04 ?  5  THR A CG2  5  
ATOM   964  H H    . THR A 1 5  ? -1.283  -2.775  -0.906 1.00 60.31 ?  5  THR A H    5  
ATOM   965  H HA   . THR A 1 5  ? -3.550  -2.064  -2.463 1.00 24.12 ?  5  THR A HA   5  
ATOM   966  H HB   . THR A 1 5  ? -2.321  -2.766  -4.371 1.00 23.31 ?  5  THR A HB   5  
ATOM   967  H HG1  . THR A 1 5  ? -1.185  -4.539  -4.270 1.00 50.44 ?  5  THR A HG1  5  
ATOM   968  H HG21 . THR A 1 5  ? -0.698  -1.224  -4.200 1.00 45.03 ?  5  THR A HG21 5  
ATOM   969  H HG22 . THR A 1 5  ? -1.279  -0.995  -2.551 1.00 42.20 ?  5  THR A HG22 5  
ATOM   970  H HG23 . THR A 1 5  ? 0.087   -2.068  -2.864 1.00 23.13 ?  5  THR A HG23 5  
ATOM   971  N N    . ASP A 1 6  ? -3.198  -5.195  -1.627 1.00 3.10  ?  6  ASP A N    5  
ATOM   972  C CA   . ASP A 1 6  ? -3.858  -6.495  -1.605 1.00 50.31 ?  6  ASP A CA   5  
ATOM   973  C C    . ASP A 1 6  ? -5.137  -6.442  -0.777 1.00 20.41 ?  6  ASP A C    5  
ATOM   974  O O    . ASP A 1 6  ? -5.269  -5.651  0.157  1.00 44.31 ?  6  ASP A O    5  
ATOM   975  C CB   . ASP A 1 6  ? -2.915  -7.559  -1.042 1.00 73.24 ?  6  ASP A CB   5  
ATOM   976  C CG   . ASP A 1 6  ? -2.015  -8.158  -2.106 1.00 24.01 ?  6  ASP A CG   5  
ATOM   977  O OD1  . ASP A 1 6  ? -0.963  -7.554  -2.401 1.00 3.32  ?  6  ASP A OD1  5  
ATOM   978  O OD2  . ASP A 1 6  ? -2.364  -9.229  -2.645 1.00 15.43 -1 6  ASP A OD2  5  
ATOM   979  H H    . ASP A 1 6  ? -2.400  -5.054  -1.077 1.00 22.03 ?  6  ASP A H    5  
ATOM   980  H HA   . ASP A 1 6  ? -4.112  -6.755  -2.622 1.00 52.23 ?  6  ASP A HA   5  
ATOM   981  H HB2  . ASP A 1 6  ? -2.293  -7.114  -0.280 1.00 62.22 ?  6  ASP A HB2  5  
ATOM   982  H HB3  . ASP A 1 6  ? -3.500  -8.354  -0.603 1.00 75.25 ?  6  ASP A HB3  5  
ATOM   983  N N    . PRO A 1 7  ? -6.105  -7.303  -1.126 1.00 4.05  ?  7  PRO A N    5  
ATOM   984  C CA   . PRO A 1 7  ? -7.392  -7.373  -0.428 1.00 44.51 ?  7  PRO A CA   5  
ATOM   985  C C    . PRO A 1 7  ? -7.257  -7.943  0.980  1.00 2.22  ?  7  PRO A C    5  
ATOM   986  O O    . PRO A 1 7  ? -7.825  -7.409  1.933  1.00 33.15 ?  7  PRO A O    5  
ATOM   987  C CB   . PRO A 1 7  ? -8.222  -8.311  -1.308 1.00 22.34 ?  7  PRO A CB   5  
ATOM   988  C CG   . PRO A 1 7  ? -7.218  -9.154  -2.016 1.00 41.54 ?  7  PRO A CG   5  
ATOM   989  C CD   . PRO A 1 7  ? -6.016  -8.275  -2.229 1.00 33.00 ?  7  PRO A CD   5  
ATOM   990  H HA   . PRO A 1 7  ? -7.870  -6.406  -0.379 1.00 64.43 ?  7  PRO A HA   5  
ATOM   991  H HB2  . PRO A 1 7  ? -8.872  -8.910  -0.685 1.00 50.11 ?  7  PRO A HB2  5  
ATOM   992  H HB3  . PRO A 1 7  ? -8.811  -7.733  -2.002 1.00 12.35 ?  7  PRO A HB3  5  
ATOM   993  H HG2  . PRO A 1 7  ? -6.957  -10.005 -1.405 1.00 2.22  ?  7  PRO A HG2  5  
ATOM   994  H HG3  . PRO A 1 7  ? -7.617  -9.480  -2.966 1.00 75.12 ?  7  PRO A HG3  5  
ATOM   995  H HD2  . PRO A 1 7  ? -5.108  -8.854  -2.160 1.00 2.45  ?  7  PRO A HD2  5  
ATOM   996  H HD3  . PRO A 1 7  ? -6.078  -7.778  -3.186 1.00 65.12 ?  7  PRO A HD3  5  
ATOM   997  N N    . ARG A 1 8  ? -6.503  -9.030  1.104  1.00 31.05 ?  8  ARG A N    5  
ATOM   998  C CA   . ARG A 1 8  ? -6.294  -9.672  2.396  1.00 53.43 ?  8  ARG A CA   5  
ATOM   999  C C    . ARG A 1 8  ? -5.704  -8.690  3.402  1.00 65.42 ?  8  ARG A C    5  
ATOM   1000 O O    . ARG A 1 8  ? -6.026  -8.733  4.590  1.00 24.44 ?  8  ARG A O    5  
ATOM   1001 C CB   . ARG A 1 8  ? -5.370  -10.882 2.245  1.00 63.11 ?  8  ARG A CB   5  
ATOM   1002 C CG   . ARG A 1 8  ? -6.109  -12.183 1.975  1.00 71.54 ?  8  ARG A CG   5  
ATOM   1003 C CD   . ARG A 1 8  ? -6.639  -12.800 3.261  1.00 24.33 ?  8  ARG A CD   5  
ATOM   1004 N NE   . ARG A 1 8  ? -7.288  -14.086 3.023  1.00 70.34 ?  8  ARG A NE   5  
ATOM   1005 C CZ   . ARG A 1 8  ? -7.764  -14.859 3.993  1.00 35.53 ?  8  ARG A CZ   5  
ATOM   1006 N NH1  . ARG A 1 8  ? -7.664  -14.477 5.259  1.00 63.04 1  8  ARG A NH1  5  
ATOM   1007 N NH2  . ARG A 1 8  ? -8.340  -16.017 3.697  1.00 10.15 ?  8  ARG A NH2  5  
ATOM   1008 H H    . ARG A 1 8  ? -6.077  -9.410  0.307  1.00 64.21 ?  8  ARG A H    5  
ATOM   1009 H HA   . ARG A 1 8  ? -7.254  -10.007 2.759  1.00 73.52 ?  8  ARG A HA   5  
ATOM   1010 H HB2  . ARG A 1 8  ? -4.691  -10.703 1.423  1.00 61.45 ?  8  ARG A HB2  5  
ATOM   1011 H HB3  . ARG A 1 8  ? -4.799  -10.999 3.153  1.00 40.11 ?  8  ARG A HB3  5  
ATOM   1012 H HG2  . ARG A 1 8  ? -6.940  -11.984 1.314  1.00 53.32 ?  8  ARG A HG2  5  
ATOM   1013 H HG3  . ARG A 1 8  ? -5.431  -12.879 1.505  1.00 30.32 ?  8  ARG A HG3  5  
ATOM   1014 H HD2  . ARG A 1 8  ? -5.814  -12.943 3.942  1.00 53.54 ?  8  ARG A HD2  5  
ATOM   1015 H HD3  . ARG A 1 8  ? -7.354  -12.121 3.700  1.00 33.33 ?  8  ARG A HD3  5  
ATOM   1016 H HE   . ARG A 1 8  ? -7.372  -14.388 2.095  1.00 23.04 ?  8  ARG A HE   5  
ATOM   1017 H HH11 . ARG A 1 8  ? -7.230  -13.605 5.484  1.00 14.24 ?  8  ARG A HH11 5  
ATOM   1018 H HH12 . ARG A 1 8  ? -8.025  -15.061 5.987  1.00 53.33 ?  8  ARG A HH12 5  
ATOM   1019 H HH21 . ARG A 1 8  ? -8.418  -16.308 2.744  1.00 72.15 ?  8  ARG A HH21 5  
ATOM   1020 H HH22 . ARG A 1 8  ? -8.698  -16.598 4.427  1.00 51.31 ?  8  ARG A HH22 5  
ATOM   1021 N N    . CYS A 1 9  ? -4.836  -7.806  2.920  1.00 23.53 ?  9  CYS A N    5  
ATOM   1022 C CA   . CYS A 1 9  ? -4.199  -6.813  3.776  1.00 21.11 ?  9  CYS A CA   5  
ATOM   1023 C C    . CYS A 1 9  ? -5.061  -5.558  3.888  1.00 22.01 ?  9  CYS A C    5  
ATOM   1024 O O    . CYS A 1 9  ? -5.089  -4.903  4.931  1.00 24.12 ?  9  CYS A O    5  
ATOM   1025 C CB   . CYS A 1 9  ? -2.818  -6.450  3.230  1.00 13.23 ?  9  CYS A CB   5  
ATOM   1026 S SG   . CYS A 1 9  ? -1.433  -7.129  4.199  1.00 54.11 ?  9  CYS A SG   5  
ATOM   1027 H H    . CYS A 1 9  ? -4.620  -7.822  1.963  1.00 40.33 ?  9  CYS A H    5  
ATOM   1028 H HA   . CYS A 1 9  ? -4.086  -7.245  4.758  1.00 20.44 ?  9  CYS A HA   5  
ATOM   1029 H HB2  . CYS A 1 9  ? -2.727  -6.826  2.221  1.00 24.41 ?  9  CYS A HB2  5  
ATOM   1030 H HB3  . CYS A 1 9  ? -2.715  -5.374  3.218  1.00 71.44 ?  9  CYS A HB3  5  
ATOM   1031 N N    . ARG A 1 10 ? -5.761  -5.229  2.808  1.00 3.34  ?  10 ARG A N    5  
ATOM   1032 C CA   . ARG A 1 10 ? -6.622  -4.054  2.784  1.00 22.50 ?  10 ARG A CA   5  
ATOM   1033 C C    . ARG A 1 10 ? -7.571  -4.050  3.979  1.00 41.43 ?  10 ARG A C    5  
ATOM   1034 O O    . ARG A 1 10 ? -7.898  -2.996  4.520  1.00 53.40 ?  10 ARG A O    5  
ATOM   1035 C CB   . ARG A 1 10 ? -7.424  -4.008  1.482  1.00 31.33 ?  10 ARG A CB   5  
ATOM   1036 C CG   . ARG A 1 10 ? -8.463  -2.899  1.445  1.00 21.23 ?  10 ARG A CG   5  
ATOM   1037 C CD   . ARG A 1 10 ? -9.321  -2.982  0.193  1.00 41.14 ?  10 ARG A CD   5  
ATOM   1038 N NE   . ARG A 1 10 ? -8.634  -2.445  -0.979 1.00 43.11 ?  10 ARG A NE   5  
ATOM   1039 C CZ   . ARG A 1 10 ? -8.457  -1.146  -1.195 1.00 63.03 ?  10 ARG A CZ   5  
ATOM   1040 N NH1  . ARG A 1 10 ? -8.913  -0.258  -0.323 1.00 13.21 1  10 ARG A NH1  5  
ATOM   1041 N NH2  . ARG A 1 10 ? -7.822  -0.734  -2.285 1.00 73.00 ?  10 ARG A NH2  5  
ATOM   1042 H H    . ARG A 1 10 ? -5.696  -5.791  2.007  1.00 4.50  ?  10 ARG A H    5  
ATOM   1043 H HA   . ARG A 1 10 ? -5.991  -3.179  2.838  1.00 22.35 ?  10 ARG A HA   5  
ATOM   1044 H HB2  . ARG A 1 10 ? -6.742  -3.861  0.658  1.00 62.12 ?  10 ARG A HB2  5  
ATOM   1045 H HB3  . ARG A 1 10 ? -7.932  -4.953  1.354  1.00 64.12 ?  10 ARG A HB3  5  
ATOM   1046 H HG2  . ARG A 1 10 ? -9.101  -2.988  2.311  1.00 70.13 ?  10 ARG A HG2  5  
ATOM   1047 H HG3  . ARG A 1 10 ? -7.958  -1.946  1.461  1.00 3.04  ?  10 ARG A HG3  5  
ATOM   1048 H HD2  . ARG A 1 10 ? -9.568  -4.017  0.009  1.00 75.31 ?  10 ARG A HD2  5  
ATOM   1049 H HD3  . ARG A 1 10 ? -10.228 -2.421  0.356  1.00 15.42 ?  10 ARG A HD3  5  
ATOM   1050 H HE   . ARG A 1 10 ? -8.290  -3.085  -1.636 1.00 22.23 ?  10 ARG A HE   5  
ATOM   1051 H HH11 . ARG A 1 10 ? -9.392  -0.565  0.499  1.00 73.23 ?  10 ARG A HH11 5  
ATOM   1052 H HH12 . ARG A 1 10 ? -8.778  0.720   -0.488 1.00 55.15 ?  10 ARG A HH12 5  
ATOM   1053 H HH21 . ARG A 1 10 ? -7.476  -1.402  -2.944 1.00 54.34 ?  10 ARG A HH21 5  
ATOM   1054 H HH22 . ARG A 1 10 ? -7.689  0.243   -2.447 1.00 52.33 ?  10 ARG A HH22 5  
HETATM 1055 N N    . IYR A 1 11 ? -8.009  -5.238  4.383  1.00 4.14  ?  11 IYR A N    5  
HETATM 1056 C CA   . IYR A 1 11 ? -8.923  -5.372  5.516  1.00 0.21  ?  11 IYR A CA   5  
HETATM 1057 C CB   . IYR A 1 11 ? -9.175  -6.872  5.880  1.00 41.10 ?  11 IYR A CB   5  
HETATM 1058 C CC   . IYR A 1 11 ? -10.392 -7.450  5.190  1.00 75.23 ?  11 IYR A CC   5  
HETATM 1059 C CD   . IYR A 1 11 ? -10.507 -7.406  3.796  1.00 61.33 ?  11 IYR A CD   5  
HETATM 1060 C CE   . IYR A 1 11 ? -11.618 -7.946  3.153  1.00 42.44 ?  11 IYR A CE   5  
HETATM 1061 I IE   . IYR A 1 11 ? -11.741 -7.854  1.000  1.00 44.41 ?  11 IYR A IE   5  
HETATM 1062 C CF   . IYR A 1 11 ? -12.652 -8.553  3.879  1.00 74.31 ?  11 IYR A CF   5  
HETATM 1063 O OF   . IYR A 1 11 ? -13.792 -9.111  3.341  1.00 52.10 ?  11 IYR A OF   5  
HETATM 1064 C CG   . IYR A 1 11 ? -12.531 -8.595  5.278  1.00 73.43 ?  11 IYR A CG   5  
HETATM 1065 C CH   . IYR A 1 11 ? -11.426 -8.057  5.921  1.00 10.04 ?  11 IYR A CH   5  
HETATM 1066 C C    . IYR A 1 11 ? -8.219  -4.702  6.712  1.00 25.12 ?  11 IYR A C    5  
HETATM 1067 O O    . IYR A 1 11 ? -8.811  -3.880  7.411  1.00 74.52 ?  11 IYR A O    5  
HETATM 1068 H H    . IYR A 1 11 ? -7.712  -6.043  3.911  1.00 14.32 ?  11 IYR A H    5  
HETATM 1069 H HA   . IYR A 1 11 ? -9.865  -4.881  5.262  1.00 72.33 ?  11 IYR A HA   5  
HETATM 1070 H HB2  . IYR A 1 11 ? -8.277  -7.430  5.595  1.00 11.51 ?  11 IYR A HB2  5  
HETATM 1071 H HB3  . IYR A 1 11 ? -9.284  -6.947  6.967  1.00 60.32 ?  11 IYR A HB3  5  
HETATM 1072 H HD   . IYR A 1 11 ? -9.726  -6.935  3.208  1.00 22.10 ?  11 IYR A HD   5  
HETATM 1073 H HF   . IYR A 1 11 ? -13.880 -10.069 3.602  1.00 73.54 ?  11 IYR A HF   5  
HETATM 1074 H HG   . IYR A 1 11 ? -13.336 -9.060  5.834  1.00 11.24 ?  11 IYR A HG   5  
HETATM 1075 H HH   . IYR A 1 11 ? -11.360 -8.104  7.002  1.00 13.23 ?  11 IYR A HH   5  
ATOM   1076 N N    . GLN A 1 12 ? -6.959  -5.065  6.931  1.00 64.22 ?  12 GLN A N    5  
ATOM   1077 C CA   . GLN A 1 12 ? -6.183  -4.505  8.031  1.00 44.33 ?  12 GLN A CA   5  
ATOM   1078 C C    . GLN A 1 12 ? -5.866  -3.034  7.779  1.00 33.45 ?  12 GLN A C    5  
ATOM   1079 O O    . GLN A 1 12 ? -5.935  -2.210  8.692  1.00 13.21 ?  12 GLN A O    5  
ATOM   1080 C CB   . GLN A 1 12 ? -4.886  -5.293  8.220  1.00 31.21 ?  12 GLN A CB   5  
ATOM   1081 C CG   . GLN A 1 12 ? -3.923  -4.652  9.206  1.00 72.54 ?  12 GLN A CG   5  
ATOM   1082 C CD   . GLN A 1 12 ? -4.509  -4.531  10.599 1.00 2.41  ?  12 GLN A CD   5  
ATOM   1083 O OE1  . GLN A 1 12 ? -5.018  -3.477  10.983 1.00 4.14  ?  12 GLN A OE1  5  
ATOM   1084 N NE2  . GLN A 1 12 ? -4.441  -5.612  11.367 1.00 42.44 ?  12 GLN A NE2  5  
ATOM   1085 H H    . GLN A 1 12 ? -6.543  -5.725  6.338  1.00 63.03 ?  12 GLN A H    5  
ATOM   1086 H HA   . GLN A 1 12 ? -6.776  -4.584  8.929  1.00 74.14 ?  12 GLN A HA   5  
ATOM   1087 H HB2  . GLN A 1 12 ? -5.129  -6.282  8.578  1.00 65.51 ?  12 GLN A HB2  5  
ATOM   1088 H HB3  . GLN A 1 12 ? -4.387  -5.377  7.266  1.00 55.52 ?  12 GLN A HB3  5  
ATOM   1089 H HG2  . GLN A 1 12 ? -3.028  -5.254  9.261  1.00 33.31 ?  12 GLN A HG2  5  
ATOM   1090 H HG3  . GLN A 1 12 ? -3.669  -3.664  8.851  1.00 2.55  ?  12 GLN A HG3  5  
ATOM   1091 H HE21 . GLN A 1 12 ? -4.021  -6.417  10.995 1.00 20.44 ?  12 GLN A HE21 5  
ATOM   1092 H HE22 . GLN A 1 12 ? -4.811  -5.562  12.271 1.00 41.34 ?  12 GLN A HE22 5  
ATOM   1093 N N    . CYS A 1 13 ? -5.519  -2.712  6.539  1.00 25.25 ?  13 CYS A N    5  
ATOM   1094 C CA   . CYS A 1 13 ? -5.190  -1.341  6.166  1.00 24.34 ?  13 CYS A CA   5  
ATOM   1095 C C    . CYS A 1 13 ? -6.361  -0.405  6.454  1.00 61.23 ?  13 CYS A C    5  
ATOM   1096 O O    . CYS A 1 13 ? -6.166  0.753   6.827  1.00 1.13  ?  13 CYS A O    5  
ATOM   1097 C CB   . CYS A 1 13 ? -4.815  -1.269  4.685  1.00 11.44 ?  13 CYS A CB   5  
ATOM   1098 S SG   . CYS A 1 13 ? -3.292  -0.329  4.349  1.00 70.22 ?  13 CYS A SG   5  
ATOM   1099 H H    . CYS A 1 13 ? -5.482  -3.415  5.854  1.00 70.11 ?  13 CYS A H    5  
ATOM   1100 H HA   . CYS A 1 13 ? -4.343  -1.031  6.759  1.00 71.43 ?  13 CYS A HA   5  
ATOM   1101 H HB2  . CYS A 1 13 ? -4.672  -2.271  4.308  1.00 64.53 ?  13 CYS A HB2  5  
ATOM   1102 H HB3  . CYS A 1 13 ? -5.620  -0.797  4.140  1.00 23.34 ?  13 CYS A HB3  5  
ATOM   1103 N N    . TYR A 1 14 ? -7.575  -0.914  6.276  1.00 22.23 ?  14 TYR A N    5  
ATOM   1104 C CA   . TYR A 1 14 ? -8.776  -0.123  6.514  1.00 41.03 ?  14 TYR A CA   5  
ATOM   1105 C C    . TYR A 1 14 ? -8.967  0.146   8.004  1.00 41.31 ?  14 TYR A C    5  
ATOM   1106 O O    . TYR A 1 14 ? -9.196  -0.775  8.789  1.00 14.42 ?  14 TYR A O    5  
ATOM   1107 C CB   . TYR A 1 14 ? -10.004 -0.842  5.954  1.00 50.31 ?  14 TYR A CB   5  
ATOM   1108 C CG   . TYR A 1 14 ? -11.216 0.051   5.811  1.00 32.42 ?  14 TYR A CG   5  
ATOM   1109 C CD1  . TYR A 1 14 ? -11.105 1.323   5.262  1.00 72.15 ?  14 TYR A CD1  5  
ATOM   1110 C CD2  . TYR A 1 14 ? -12.471 -0.376  6.227  1.00 25.42 ?  14 TYR A CD2  5  
ATOM   1111 C CE1  . TYR A 1 14 ? -12.209 2.142   5.130  1.00 24.03 ?  14 TYR A CE1  5  
ATOM   1112 C CE2  . TYR A 1 14 ? -13.581 0.436   6.098  1.00 41.21 ?  14 TYR A CE2  5  
ATOM   1113 C CZ   . TYR A 1 14 ? -13.446 1.695   5.549  1.00 60.41 ?  14 TYR A CZ   5  
ATOM   1114 O OH   . TYR A 1 14 ? -14.548 2.508   5.420  1.00 51.03 ?  14 TYR A OH   5  
ATOM   1115 H H    . TYR A 1 14 ? -7.666  -1.843  5.978  1.00 44.30 ?  14 TYR A H    5  
ATOM   1116 H HA   . TYR A 1 14 ? -8.659  0.821   6.002  1.00 0.44  ?  14 TYR A HA   5  
ATOM   1117 H HB2  . TYR A 1 14 ? -9.767  -1.236  4.978  1.00 42.13 ?  14 TYR A HB2  5  
ATOM   1118 H HB3  . TYR A 1 14 ? -10.268 -1.657  6.612  1.00 64.40 ?  14 TYR A HB3  5  
ATOM   1119 H HD1  . TYR A 1 14 ? -10.136 1.671   4.935  1.00 1.23  ?  14 TYR A HD1  5  
ATOM   1120 H HD2  . TYR A 1 14 ? -12.574 -1.361  6.657  1.00 52.34 ?  14 TYR A HD2  5  
ATOM   1121 H HE1  . TYR A 1 14 ? -12.104 3.128   4.701  1.00 35.44 ?  14 TYR A HE1  5  
ATOM   1122 H HE2  . TYR A 1 14 ? -14.549 0.086   6.425  1.00 11.21 ?  14 TYR A HE2  5  
ATOM   1123 H HH   . TYR A 1 14 ? -14.644 2.774   4.503  1.00 34.25 ?  14 TYR A HH   5  
ATOM   1124 N N    . LYS A 1 15 ? -8.871  1.415   8.387  1.00 31.30 ?  15 LYS A N    5  
ATOM   1125 C CA   . LYS A 1 15 ? -9.033  1.808   9.782  1.00 33.13 ?  15 LYS A CA   5  
ATOM   1126 C C    . LYS A 1 15 ? -7.944  1.189   10.652 1.00 75.54 ?  15 LYS A C    5  
ATOM   1127 O O    . LYS A 1 15 ? -8.202  0.767   11.780 1.00 12.22 ?  15 LYS A O    5  
ATOM   1128 C CB   . LYS A 1 15 ? -10.412 1.386   10.295 1.00 23.42 ?  15 LYS A CB   5  
ATOM   1129 C CG   . LYS A 1 15 ? -10.868 2.159   11.519 1.00 42.22 ?  15 LYS A CG   5  
ATOM   1130 C CD   . LYS A 1 15 ? -12.382 2.256   11.586 1.00 3.15  ?  15 LYS A CD   5  
ATOM   1131 C CE   . LYS A 1 15 ? -12.919 3.285   10.604 1.00 5.10  ?  15 LYS A CE   5  
ATOM   1132 N NZ   . LYS A 1 15 ? -14.407 3.306   10.581 1.00 24.11 1  15 LYS A NZ   5  
ATOM   1133 H H    . LYS A 1 15 ? -8.686  2.104   7.715  1.00 14.13 ?  15 LYS A H    5  
ATOM   1134 H HA   . LYS A 1 15 ? -8.951  2.883   9.834  1.00 62.33 ?  15 LYS A HA   5  
ATOM   1135 H HB2  . LYS A 1 15 ? -11.137 1.539   9.508  1.00 40.30 ?  15 LYS A HB2  5  
ATOM   1136 H HB3  . LYS A 1 15 ? -10.383 0.337   10.547 1.00 33.21 ?  15 LYS A HB3  5  
ATOM   1137 H HG2  . LYS A 1 15 ? -10.511 1.655   12.405 1.00 44.53 ?  15 LYS A HG2  5  
ATOM   1138 H HG3  . LYS A 1 15 ? -10.453 3.156   11.480 1.00 11.25 ?  15 LYS A HG3  5  
ATOM   1139 H HD2  . LYS A 1 15 ? -12.807 1.292   11.348 1.00 72.23 ?  15 LYS A HD2  5  
ATOM   1140 H HD3  . LYS A 1 15 ? -12.672 2.542   12.587 1.00 53.42 ?  15 LYS A HD3  5  
ATOM   1141 H HE2  . LYS A 1 15 ? -12.558 4.261   10.891 1.00 34.30 ?  15 LYS A HE2  5  
ATOM   1142 H HE3  . LYS A 1 15 ? -12.556 3.045   9.616  1.00 22.05 ?  15 LYS A HE3  5  
ATOM   1143 H HZ1  . LYS A 1 15 ? -14.750 4.287   10.512 1.00 60.33 ?  15 LYS A HZ1  5  
ATOM   1144 H HZ2  . LYS A 1 15 ? -14.760 2.770   9.762  1.00 62.45 ?  15 LYS A HZ2  5  
ATOM   1145 H HZ3  . LYS A 1 15 ? -14.785 2.878   11.450 1.00 41.22 ?  15 LYS A HZ3  5  
HETATM 1146 N N    . PCA A 1 1  ? 4.527   -3.215  -4.853 1.00 11.13 ?  1  PCA A N    6  
HETATM 1147 C CA   . PCA A 1 1  ? 3.583   -2.167  -4.377 1.00 24.44 ?  1  PCA A CA   6  
HETATM 1148 C CB   . PCA A 1 1  ? 2.274   -2.485  -5.121 1.00 44.42 ?  1  PCA A CB   6  
HETATM 1149 C CG   . PCA A 1 1  ? 2.356   -3.992  -5.389 1.00 33.24 ?  1  PCA A CG   6  
HETATM 1150 C CD   . PCA A 1 1  ? 3.843   -4.282  -5.485 1.00 11.24 ?  1  PCA A CD   6  
HETATM 1151 O OE   . PCA A 1 1  ? 4.371   -5.252  -5.992 1.00 22.43 ?  1  PCA A OE   6  
HETATM 1152 C C    . PCA A 1 1  ? 3.418   -2.207  -2.838 1.00 35.00 ?  1  PCA A C    6  
HETATM 1153 O O    . PCA A 1 1  ? 3.566   -1.190  -2.161 1.00 53.44 ?  1  PCA A O    6  
HETATM 1154 H HA   . PCA A 1 1  ? 3.984   -1.192  -4.663 1.00 63.24 ?  1  PCA A HA   6  
HETATM 1155 H HB2  . PCA A 1 1  ? 1.405   -2.203  -4.525 1.00 51.22 ?  1  PCA A HB2  6  
HETATM 1156 H HB3  . PCA A 1 1  ? 2.252   -1.932  -6.061 1.00 62.35 ?  1  PCA A HB3  6  
HETATM 1157 H HG2  . PCA A 1 1  ? 1.953   -4.575  -4.554 1.00 32.34 ?  1  PCA A HG2  6  
HETATM 1158 H HG3  . PCA A 1 1  ? 1.854   -4.324  -6.304 1.00 1.32  ?  1  PCA A HG3  6  
ATOM   1159 N N    . GLY A 1 2  ? 3.114   -3.389  -2.311 1.00 41.40 ?  2  GLY A N    6  
ATOM   1160 C CA   . GLY A 1 2  ? 2.937   -3.539  -0.878 1.00 31.12 ?  2  GLY A CA   6  
ATOM   1161 C C    . GLY A 1 2  ? 1.693   -4.332  -0.528 1.00 64.33 ?  2  GLY A C    6  
ATOM   1162 O O    . GLY A 1 2  ? 0.860   -4.607  -1.391 1.00 60.30 ?  2  GLY A O    6  
ATOM   1163 H H    . GLY A 1 2  ? 3.009   -4.166  -2.899 1.00 2.33  ?  2  GLY A H    6  
ATOM   1164 H HA2  . GLY A 1 2  ? 3.799   -4.044  -0.470 1.00 1.55  ?  2  GLY A HA2  6  
ATOM   1165 H HA3  . GLY A 1 2  ? 2.862   -2.558  -0.432 1.00 61.12 ?  2  GLY A HA3  6  
ATOM   1166 N N    . CYS A 1 3  ? 1.568   -4.702  0.743  1.00 5.34  ?  3  CYS A N    6  
ATOM   1167 C CA   . CYS A 1 3  ? 0.418   -5.469  1.206  1.00 74.31 ?  3  CYS A CA   6  
ATOM   1168 C C    . CYS A 1 3  ? -0.847  -4.615  1.197  1.00 50.31 ?  3  CYS A C    6  
ATOM   1169 O O    . CYS A 1 3  ? -1.937  -5.104  0.902  1.00 54.34 ?  3  CYS A O    6  
ATOM   1170 C CB   . CYS A 1 3  ? 0.672   -6.007  2.616  1.00 62.42 ?  3  CYS A CB   6  
ATOM   1171 S SG   . CYS A 1 3  ? -0.054  -7.648  2.928  1.00 34.43 ?  3  CYS A SG   6  
ATOM   1172 H H    . CYS A 1 3  ? 2.266   -4.452  1.385  1.00 52.12 ?  3  CYS A H    6  
ATOM   1173 H HA   . CYS A 1 3  ? 0.281   -6.301  0.532  1.00 31.55 ?  3  CYS A HA   6  
ATOM   1174 H HB2  . CYS A 1 3  ? 1.738   -6.084  2.777  1.00 65.14 ?  3  CYS A HB2  6  
ATOM   1175 H HB3  . CYS A 1 3  ? 0.254   -5.319  3.336  1.00 35.30 ?  3  CYS A HB3  6  
ATOM   1176 N N    . CYS A 1 4  ? -0.692  -3.335  1.520  1.00 4.35  ?  4  CYS A N    6  
ATOM   1177 C CA   . CYS A 1 4  ? -1.820  -2.412  1.549  1.00 71.11 ?  4  CYS A CA   6  
ATOM   1178 C C    . CYS A 1 4  ? -2.583  -2.444  0.228  1.00 22.25 ?  4  CYS A C    6  
ATOM   1179 O O    . CYS A 1 4  ? -3.793  -2.215  0.191  1.00 50.41 ?  4  CYS A O    6  
ATOM   1180 C CB   . CYS A 1 4  ? -1.334  -0.990  1.837  1.00 32.54 ?  4  CYS A CB   6  
ATOM   1181 S SG   . CYS A 1 4  ? -2.605  0.099   2.556  1.00 53.23 ?  4  CYS A SG   6  
ATOM   1182 H H    . CYS A 1 4  ? 0.203   -3.003  1.746  1.00 63.22 ?  4  CYS A H    6  
ATOM   1183 H HA   . CYS A 1 4  ? -2.484  -2.724  2.342  1.00 41.04 ?  4  CYS A HA   6  
ATOM   1184 H HB2  . CYS A 1 4  ? -0.508  -1.033  2.531  1.00 64.22 ?  4  CYS A HB2  6  
ATOM   1185 H HB3  . CYS A 1 4  ? -0.999  -0.539  0.914  1.00 55.24 ?  4  CYS A HB3  6  
ATOM   1186 N N    . THR A 1 5  ? -1.868  -2.729  -0.855 1.00 33.14 ?  5  THR A N    6  
ATOM   1187 C CA   . THR A 1 5  ? -2.477  -2.791  -2.178 1.00 53.20 ?  5  THR A CA   6  
ATOM   1188 C C    . THR A 1 5  ? -3.402  -3.996  -2.303 1.00 2.14  ?  5  THR A C    6  
ATOM   1189 O O    . THR A 1 5  ? -4.391  -3.958  -3.035 1.00 45.33 ?  5  THR A O    6  
ATOM   1190 C CB   . THR A 1 5  ? -1.407  -2.862  -3.285 1.00 34.35 ?  5  THR A CB   6  
ATOM   1191 O OG1  . THR A 1 5  ? -0.340  -1.953  -2.995 1.00 72.22 ?  5  THR A OG1  6  
ATOM   1192 C CG2  . THR A 1 5  ? -2.010  -2.529  -4.642 1.00 23.04 ?  5  THR A CG2  6  
ATOM   1193 H H    . THR A 1 5  ? -0.908  -2.903  -0.761 1.00 60.31 ?  5  THR A H    6  
ATOM   1194 H HA   . THR A 1 5  ? -3.054  -1.889  -2.321 1.00 24.12 ?  5  THR A HA   6  
ATOM   1195 H HB   . THR A 1 5  ? -1.014  -3.868  -3.320 1.00 23.31 ?  5  THR A HB   6  
ATOM   1196 H HG1  . THR A 1 5  ? 0.282   -2.371  -2.396 1.00 50.44 ?  5  THR A HG1  6  
ATOM   1197 H HG21 . THR A 1 5  ? -2.881  -1.905  -4.505 1.00 45.03 ?  5  THR A HG21 6  
ATOM   1198 H HG22 . THR A 1 5  ? -1.281  -2.002  -5.239 1.00 42.20 ?  5  THR A HG22 6  
ATOM   1199 H HG23 . THR A 1 5  ? -2.296  -3.441  -5.143 1.00 23.13 ?  5  THR A HG23 6  
ATOM   1200 N N    . ASP A 1 6  ? -3.075  -5.063  -1.582 1.00 3.10  ?  6  ASP A N    6  
ATOM   1201 C CA   . ASP A 1 6  ? -3.879  -6.280  -1.611 1.00 50.31 ?  6  ASP A CA   6  
ATOM   1202 C C    . ASP A 1 6  ? -5.158  -6.105  -0.797 1.00 20.41 ?  6  ASP A C    6  
ATOM   1203 O O    . ASP A 1 6  ? -5.213  -5.333  0.160  1.00 44.31 ?  6  ASP A O    6  
ATOM   1204 C CB   . ASP A 1 6  ? -3.074  -7.462  -1.070 1.00 73.24 ?  6  ASP A CB   6  
ATOM   1205 C CG   . ASP A 1 6  ? -1.976  -7.898  -2.023 1.00 24.01 ?  6  ASP A CG   6  
ATOM   1206 O OD1  . ASP A 1 6  ? -1.605  -7.097  -2.907 1.00 3.32  ?  6  ASP A OD1  6  
ATOM   1207 O OD2  . ASP A 1 6  ? -1.490  -9.039  -1.883 1.00 15.43 -1 6  ASP A OD2  6  
ATOM   1208 H H    . ASP A 1 6  ? -2.275  -5.032  -1.017 1.00 22.03 ?  6  ASP A H    6  
ATOM   1209 H HA   . ASP A 1 6  ? -4.146  -6.477  -2.638 1.00 52.23 ?  6  ASP A HA   6  
ATOM   1210 H HB2  . ASP A 1 6  ? -2.618  -7.181  -0.133 1.00 62.22 ?  6  ASP A HB2  6  
ATOM   1211 H HB3  . ASP A 1 6  ? -3.738  -8.298  -0.908 1.00 75.25 ?  6  ASP A HB3  6  
ATOM   1212 N N    . PRO A 1 7  ? -6.211  -6.840  -1.184 1.00 4.05  ?  7  PRO A N    6  
ATOM   1213 C CA   . PRO A 1 7  ? -7.509  -6.784  -0.504 1.00 44.51 ?  7  PRO A CA   6  
ATOM   1214 C C    . PRO A 1 7  ? -7.461  -7.407  0.887  1.00 2.22  ?  7  PRO A C    6  
ATOM   1215 O O    . PRO A 1 7  ? -7.979  -6.839  1.849  1.00 33.15 ?  7  PRO A O    6  
ATOM   1216 C CB   . PRO A 1 7  ? -8.426  -7.595  -1.422 1.00 22.34 ?  7  PRO A CB   6  
ATOM   1217 C CG   . PRO A 1 7  ? -7.513  -8.524  -2.144 1.00 41.54 ?  7  PRO A CG   6  
ATOM   1218 C CD   . PRO A 1 7  ? -6.216  -7.782  -2.316 1.00 33.00 ?  7  PRO A CD   6  
ATOM   1219 H HA   . PRO A 1 7  ? -7.875  -5.770  -0.431 1.00 64.43 ?  7  PRO A HA   6  
ATOM   1220 H HB2  . PRO A 1 7  ? -9.150  -8.133  -0.827 1.00 50.11 ?  7  PRO A HB2  6  
ATOM   1221 H HB3  . PRO A 1 7  ? -8.934  -6.932  -2.106 1.00 12.35 ?  7  PRO A HB3  6  
ATOM   1222 H HG2  . PRO A 1 7  ? -7.360  -9.418  -1.558 1.00 2.22  ?  7  PRO A HG2  6  
ATOM   1223 H HG3  . PRO A 1 7  ? -7.932  -8.775  -3.108 1.00 75.12 ?  7  PRO A HG3  6  
ATOM   1224 H HD2  . PRO A 1 7  ? -5.380  -8.463  -2.254 1.00 2.45  ?  7  PRO A HD2  6  
ATOM   1225 H HD3  . PRO A 1 7  ? -6.206  -7.253  -3.257 1.00 65.12 ?  7  PRO A HD3  6  
ATOM   1226 N N    . ARG A 1 8  ? -6.837  -8.576  0.986  1.00 31.05 ?  8  ARG A N    6  
ATOM   1227 C CA   . ARG A 1 8  ? -6.723  -9.276  2.260  1.00 53.43 ?  8  ARG A CA   6  
ATOM   1228 C C    . ARG A 1 8  ? -6.035  -8.399  3.303  1.00 65.42 ?  8  ARG A C    6  
ATOM   1229 O O    . ARG A 1 8  ? -6.376  -8.439  4.484  1.00 24.44 ?  8  ARG A O    6  
ATOM   1230 C CB   . ARG A 1 8  ? -5.945  -10.580 2.081  1.00 63.11 ?  8  ARG A CB   6  
ATOM   1231 C CG   . ARG A 1 8  ? -6.797  -11.734 1.577  1.00 71.54 ?  8  ARG A CG   6  
ATOM   1232 C CD   . ARG A 1 8  ? -6.152  -13.077 1.880  1.00 24.33 ?  8  ARG A CD   6  
ATOM   1233 N NE   . ARG A 1 8  ? -7.146  -14.133 2.059  1.00 70.34 ?  8  ARG A NE   6  
ATOM   1234 C CZ   . ARG A 1 8  ? -7.949  -14.216 3.115  1.00 35.53 ?  8  ARG A CZ   6  
ATOM   1235 N NH1  . ARG A 1 8  ? -7.876  -13.309 4.079  1.00 63.04 1  8  ARG A NH1  6  
ATOM   1236 N NH2  . ARG A 1 8  ? -8.826  -15.206 3.205  1.00 10.15 ?  8  ARG A NH2  6  
ATOM   1237 H H    . ARG A 1 8  ? -6.445  -8.978  0.183  1.00 64.21 ?  8  ARG A H    6  
ATOM   1238 H HA   . ARG A 1 8  ? -7.721  -9.506  2.603  1.00 73.52 ?  8  ARG A HA   6  
ATOM   1239 H HB2  . ARG A 1 8  ? -5.146  -10.416 1.373  1.00 61.45 ?  8  ARG A HB2  6  
ATOM   1240 H HB3  . ARG A 1 8  ? -5.519  -10.864 3.032  1.00 40.11 ?  8  ARG A HB3  6  
ATOM   1241 H HG2  . ARG A 1 8  ? -7.763  -11.693 2.059  1.00 53.32 ?  8  ARG A HG2  6  
ATOM   1242 H HG3  . ARG A 1 8  ? -6.922  -11.637 0.509  1.00 30.32 ?  8  ARG A HG3  6  
ATOM   1243 H HD2  . ARG A 1 8  ? -5.503  -13.343 1.060  1.00 53.54 ?  8  ARG A HD2  6  
ATOM   1244 H HD3  . ARG A 1 8  ? -5.571  -12.986 2.785  1.00 33.33 ?  8  ARG A HD3  6  
ATOM   1245 H HE   . ARG A 1 8  ? -7.216  -14.814 1.358  1.00 23.04 ?  8  ARG A HE   6  
ATOM   1246 H HH11 . ARG A 1 8  ? -7.216  -12.561 4.013  1.00 14.24 ?  8  ARG A HH11 6  
ATOM   1247 H HH12 . ARG A 1 8  ? -8.483  -13.373 4.872  1.00 53.33 ?  8  ARG A HH12 6  
ATOM   1248 H HH21 . ARG A 1 8  ? -8.885  -15.891 2.480  1.00 72.15 ?  8  ARG A HH21 6  
ATOM   1249 H HH22 . ARG A 1 8  ? -9.430  -15.267 3.999  1.00 51.31 ?  8  ARG A HH22 6  
ATOM   1250 N N    . CYS A 1 9  ? -5.064  -7.610  2.856  1.00 23.53 ?  9  CYS A N    6  
ATOM   1251 C CA   . CYS A 1 9  ? -4.326  -6.724  3.749  1.00 21.11 ?  9  CYS A CA   6  
ATOM   1252 C C    . CYS A 1 9  ? -5.038  -5.381  3.891  1.00 22.01 ?  9  CYS A C    6  
ATOM   1253 O O    . CYS A 1 9  ? -5.000  -4.758  4.953  1.00 24.12 ?  9  CYS A O    6  
ATOM   1254 C CB   . CYS A 1 9  ? -2.905  -6.507  3.227  1.00 13.23 ?  9  CYS A CB   6  
ATOM   1255 S SG   . CYS A 1 9  ? -1.624  -7.398  4.167  1.00 54.11 ?  9  CYS A SG   6  
ATOM   1256 H H    . CYS A 1 9  ? -4.838  -7.623  1.901  1.00 40.33 ?  9  CYS A H    6  
ATOM   1257 H HA   . CYS A 1 9  ? -4.276  -7.196  4.718  1.00 20.44 ?  9  CYS A HA   6  
ATOM   1258 H HB2  . CYS A 1 9  ? -2.851  -6.844  2.201  1.00 24.41 ?  9  CYS A HB2  6  
ATOM   1259 H HB3  . CYS A 1 9  ? -2.670  -5.455  3.267  1.00 71.44 ?  9  CYS A HB3  6  
ATOM   1260 N N    . ARG A 1 10 ? -5.683  -4.943  2.817  1.00 3.34  ?  10 ARG A N    6  
ATOM   1261 C CA   . ARG A 1 10 ? -6.401  -3.673  2.822  1.00 22.50 ?  10 ARG A CA   6  
ATOM   1262 C C    . ARG A 1 10 ? -7.361  -3.597  4.006  1.00 41.43 ?  10 ARG A C    6  
ATOM   1263 O O    . ARG A 1 10 ? -7.572  -2.528  4.578  1.00 53.40 ?  10 ARG A O    6  
ATOM   1264 C CB   . ARG A 1 10 ? -7.174  -3.495  1.514  1.00 31.33 ?  10 ARG A CB   6  
ATOM   1265 C CG   . ARG A 1 10 ? -8.087  -2.279  1.506  1.00 21.23 ?  10 ARG A CG   6  
ATOM   1266 C CD   . ARG A 1 10 ? -8.891  -2.195  0.218  1.00 41.14 ?  10 ARG A CD   6  
ATOM   1267 N NE   . ARG A 1 10 ? -9.824  -3.311  0.081  1.00 43.11 ?  10 ARG A NE   6  
ATOM   1268 C CZ   . ARG A 1 10 ? -10.509 -3.563  -1.028 1.00 63.03 ?  10 ARG A CZ   6  
ATOM   1269 N NH1  . ARG A 1 10 ? -10.367 -2.784  -2.091 1.00 13.21 1  10 ARG A NH1  6  
ATOM   1270 N NH2  . ARG A 1 10 ? -11.339 -4.597  -1.076 1.00 73.00 ?  10 ARG A NH2  6  
ATOM   1271 H H    . ARG A 1 10 ? -5.676  -5.484  2.000  1.00 4.50  ?  10 ARG A H    6  
ATOM   1272 H HA   . ARG A 1 10 ? -5.674  -2.881  2.912  1.00 22.35 ?  10 ARG A HA   6  
ATOM   1273 H HB2  . ARG A 1 10 ? -6.467  -3.391  0.703  1.00 62.12 ?  10 ARG A HB2  6  
ATOM   1274 H HB3  . ARG A 1 10 ? -7.778  -4.374  1.343  1.00 64.12 ?  10 ARG A HB3  6  
ATOM   1275 H HG2  . ARG A 1 10 ? -8.770  -2.349  2.340  1.00 70.13 ?  10 ARG A HG2  6  
ATOM   1276 H HG3  . ARG A 1 10 ? -7.485  -1.388  1.604  1.00 3.04  ?  10 ARG A HG3  6  
ATOM   1277 H HD2  . ARG A 1 10 ? -9.449  -1.270  0.218  1.00 75.31 ?  10 ARG A HD2  6  
ATOM   1278 H HD3  . ARG A 1 10 ? -8.208  -2.204  -0.618 1.00 15.42 ?  10 ARG A HD3  6  
ATOM   1279 H HE   . ARG A 1 10 ? -9.943  -3.899  0.855  1.00 22.23 ?  10 ARG A HE   6  
ATOM   1280 H HH11 . ARG A 1 10 ? -9.742  -2.004  -2.058 1.00 73.23 ?  10 ARG A HH11 6  
ATOM   1281 H HH12 . ARG A 1 10 ? -10.884 -2.976  -2.926 1.00 55.15 ?  10 ARG A HH12 6  
ATOM   1282 H HH21 . ARG A 1 10 ? -11.449 -5.187  -0.277 1.00 54.34 ?  10 ARG A HH21 6  
ATOM   1283 H HH22 . ARG A 1 10 ? -11.855 -4.786  -1.911 1.00 52.33 ?  10 ARG A HH22 6  
HETATM 1284 N N    . IYR A 1 11 ? -7.940  -4.738  4.367  1.00 4.14  ?  11 IYR A N    6  
HETATM 1285 C CA   . IYR A 1 11 ? -8.879  -4.799  5.484  1.00 0.21  ?  11 IYR A CA   6  
HETATM 1286 C CB   . IYR A 1 11 ? -9.307  -6.271  5.798  1.00 41.10 ?  11 IYR A CB   6  
HETATM 1287 C CC   . IYR A 1 11 ? -10.561 -6.691  5.062  1.00 75.23 ?  11 IYR A CC   6  
HETATM 1288 C CD   . IYR A 1 11 ? -10.633 -6.588  3.668  1.00 61.33 ?  11 IYR A CD   6  
HETATM 1289 C CE   . IYR A 1 11 ? -11.780 -6.984  2.982  1.00 42.44 ?  11 IYR A CE   6  
HETATM 1290 I IE   . IYR A 1 11 ? -11.837 -6.807  0.831  1.00 44.41 ?  11 IYR A IE   6  
HETATM 1291 C CF   . IYR A 1 11 ? -12.892 -7.497  3.662  1.00 74.31 ?  11 IYR A CF   6  
HETATM 1292 O OF   . IYR A 1 11 ? -14.070 -7.911  3.080  1.00 52.10 ?  11 IYR A OF   6  
HETATM 1293 C CG   . IYR A 1 11 ? -12.812 -7.599  5.061  1.00 73.43 ?  11 IYR A CG   6  
HETATM 1294 C CH   . IYR A 1 11 ? -11.672 -7.205  5.747  1.00 10.04 ?  11 IYR A CH   6  
HETATM 1295 C C    . IYR A 1 11 ? -8.120  -4.252  6.710  1.00 25.12 ?  11 IYR A C    6  
HETATM 1296 O O    . IYR A 1 11 ? -8.628  -3.396  7.433  1.00 74.52 ?  11 IYR A O    6  
HETATM 1297 H H    . IYR A 1 11 ? -7.731  -5.557  3.872  1.00 14.32 ?  11 IYR A H    6  
HETATM 1298 H HA   . IYR A 1 11 ? -9.755  -4.196  5.237  1.00 72.33 ?  11 IYR A HA   6  
HETATM 1299 H HB2  . IYR A 1 11 ? -8.469  -6.920  5.519  1.00 11.51 ?  11 IYR A HB2  6  
HETATM 1300 H HB3  . IYR A 1 11 ? -9.455  -6.361  6.880  1.00 60.32 ?  11 IYR A HB3  6  
HETATM 1301 H HD   . IYR A 1 11 ? -9.792  -6.186  3.115  1.00 22.10 ?  11 IYR A HD   6  
HETATM 1302 H HF   . IYR A 1 11 ? -14.809 -7.268  3.268  1.00 73.54 ?  11 IYR A HF   6  
HETATM 1303 H HG   . IYR A 1 11 ? -13.676 -7.992  5.583  1.00 11.24 ?  11 IYR A HG   6  
HETATM 1304 H HH   . IYR A 1 11 ? -11.639 -7.295  6.827  1.00 13.23 ?  11 IYR A HH   6  
ATOM   1305 N N    . GLN A 1 12 ? -6.909  -4.755  6.923  1.00 64.22 ?  12 GLN A N    6  
ATOM   1306 C CA   . GLN A 1 12 ? -6.089  -4.321  8.047  1.00 44.33 ?  12 GLN A CA   6  
ATOM   1307 C C    . GLN A 1 12 ? -5.600  -2.891  7.844  1.00 33.45 ?  12 GLN A C    6  
ATOM   1308 O O    . GLN A 1 12 ? -5.584  -2.090  8.779  1.00 13.21 ?  12 GLN A O    6  
ATOM   1309 C CB   . GLN A 1 12 ? -4.895  -5.260  8.229  1.00 31.21 ?  12 GLN A CB   6  
ATOM   1310 C CG   . GLN A 1 12 ? -5.273  -6.624  8.783  1.00 72.54 ?  12 GLN A CG   6  
ATOM   1311 C CD   . GLN A 1 12 ? -4.083  -7.557  8.899  1.00 2.41  ?  12 GLN A CD   6  
ATOM   1312 O OE1  . GLN A 1 12 ? -3.687  -8.200  7.926  1.00 4.14  ?  12 GLN A OE1  6  
ATOM   1313 N NE2  . GLN A 1 12 ? -3.506  -7.635  10.092 1.00 42.44 ?  12 GLN A NE2  6  
ATOM   1314 H H    . GLN A 1 12 ? -6.559  -5.435  6.310  1.00 63.03 ?  12 GLN A H    6  
ATOM   1315 H HA   . GLN A 1 12 ? -6.701  -4.356  8.937  1.00 74.14 ?  12 GLN A HA   6  
ATOM   1316 H HB2  . GLN A 1 12 ? -4.417  -5.404  7.271  1.00 65.51 ?  12 GLN A HB2  6  
ATOM   1317 H HB3  . GLN A 1 12 ? -4.192  -4.802  8.908  1.00 55.52 ?  12 GLN A HB3  6  
ATOM   1318 H HG2  . GLN A 1 12 ? -5.704  -6.492  9.765  1.00 33.31 ?  12 GLN A HG2  6  
ATOM   1319 H HG3  . GLN A 1 12 ? -6.003  -7.075  8.128  1.00 2.55  ?  12 GLN A HG3  6  
ATOM   1320 H HE21 . GLN A 1 12 ? -3.877  -7.095  10.821 1.00 20.44 ?  12 GLN A HE21 6  
ATOM   1321 H HE22 . GLN A 1 12 ? -2.736  -8.231  10.195 1.00 41.34 ?  12 GLN A HE22 6  
ATOM   1322 N N    . CYS A 1 13 ? -5.201  -2.576  6.616  1.00 25.25 ?  13 CYS A N    6  
ATOM   1323 C CA   . CYS A 1 13 ? -4.710  -1.243  6.289  1.00 24.34 ?  13 CYS A CA   6  
ATOM   1324 C C    . CYS A 1 13 ? -5.767  -0.184  6.592  1.00 61.23 ?  13 CYS A C    6  
ATOM   1325 O O    . CYS A 1 13 ? -5.443  0.930   7.001  1.00 1.13  ?  13 CYS A O    6  
ATOM   1326 C CB   . CYS A 1 13 ? -4.309  -1.171  4.815  1.00 11.44 ?  13 CYS A CB   6  
ATOM   1327 S SG   . CYS A 1 13 ? -2.740  -0.296  4.511  1.00 70.22 ?  13 CYS A SG   6  
ATOM   1328 H H    . CYS A 1 13 ? -5.237  -3.258  5.912  1.00 70.11 ?  13 CYS A H    6  
ATOM   1329 H HA   . CYS A 1 13 ? -3.840  -1.051  6.899  1.00 71.43 ?  13 CYS A HA   6  
ATOM   1330 H HB2  . CYS A 1 13 ? -4.204  -2.176  4.429  1.00 64.53 ?  13 CYS A HB2  6  
ATOM   1331 H HB3  . CYS A 1 13 ? -5.084  -0.660  4.263  1.00 23.34 ?  13 CYS A HB3  6  
ATOM   1332 N N    . TYR A 1 14 ? -7.029  -0.543  6.389  1.00 22.23 ?  14 TYR A N    6  
ATOM   1333 C CA   . TYR A 1 14 ? -8.134  0.376   6.638  1.00 41.03 ?  14 TYR A CA   6  
ATOM   1334 C C    . TYR A 1 14 ? -9.269  -0.325  7.378  1.00 41.31 ?  14 TYR A C    6  
ATOM   1335 O O    . TYR A 1 14 ? -9.988  -1.144  6.805  1.00 14.42 ?  14 TYR A O    6  
ATOM   1336 C CB   . TYR A 1 14 ? -8.651  0.955   5.320  1.00 50.31 ?  14 TYR A CB   6  
ATOM   1337 C CG   . TYR A 1 14 ? -9.603  2.116   5.500  1.00 32.42 ?  14 TYR A CG   6  
ATOM   1338 C CD1  . TYR A 1 14 ? -9.173  3.312   6.060  1.00 72.15 ?  14 TYR A CD1  6  
ATOM   1339 C CD2  . TYR A 1 14 ? -10.933 2.015   5.112  1.00 25.42 ?  14 TYR A CD2  6  
ATOM   1340 C CE1  . TYR A 1 14 ? -10.039 4.375   6.228  1.00 24.03 ?  14 TYR A CE1  6  
ATOM   1341 C CE2  . TYR A 1 14 ? -11.807 3.073   5.275  1.00 41.21 ?  14 TYR A CE2  6  
ATOM   1342 C CZ   . TYR A 1 14 ? -11.355 4.251   5.833  1.00 60.41 ?  14 TYR A CZ   6  
ATOM   1343 O OH   . TYR A 1 14 ? -12.222 5.306   5.997  1.00 51.03 ?  14 TYR A OH   6  
ATOM   1344 H H    . TYR A 1 14 ? -7.224  -1.446  6.062  1.00 44.30 ?  14 TYR A H    6  
ATOM   1345 H HA   . TYR A 1 14 ? -7.762  1.183   7.253  1.00 0.44  ?  14 TYR A HA   6  
ATOM   1346 H HB2  . TYR A 1 14 ? -7.813  1.303   4.735  1.00 42.13 ?  14 TYR A HB2  6  
ATOM   1347 H HB3  . TYR A 1 14 ? -9.170  0.181   4.774  1.00 64.40 ?  14 TYR A HB3  6  
ATOM   1348 H HD1  . TYR A 1 14 ? -8.141  3.407   6.369  1.00 1.23  ?  14 TYR A HD1  6  
ATOM   1349 H HD2  . TYR A 1 14 ? -11.284 1.090   4.676  1.00 52.34 ?  14 TYR A HD2  6  
ATOM   1350 H HE1  . TYR A 1 14 ? -9.687  5.298   6.665  1.00 35.44 ?  14 TYR A HE1  6  
ATOM   1351 H HE2  . TYR A 1 14 ? -12.837 2.975   4.966  1.00 11.21 ?  14 TYR A HE2  6  
ATOM   1352 H HH   . TYR A 1 14 ? -12.527 5.606   5.138  1.00 34.25 ?  14 TYR A HH   6  
ATOM   1353 N N    . LYS A 1 15 ? -9.425  0.005   8.656  1.00 31.30 ?  15 LYS A N    6  
ATOM   1354 C CA   . LYS A 1 15 ? -10.474 -0.590  9.476  1.00 33.13 ?  15 LYS A CA   6  
ATOM   1355 C C    . LYS A 1 15 ? -11.839 -0.435  8.812  1.00 75.54 ?  15 LYS A C    6  
ATOM   1356 O O    . LYS A 1 15 ? -12.406 0.657   8.785  1.00 12.22 ?  15 LYS A O    6  
ATOM   1357 C CB   . LYS A 1 15 ? -10.493 0.057   10.863 1.00 23.42 ?  15 LYS A CB   6  
ATOM   1358 C CG   . LYS A 1 15 ? -9.164  -0.029  11.593 1.00 42.22 ?  15 LYS A CG   6  
ATOM   1359 C CD   . LYS A 1 15 ? -9.003  -1.361  12.305 1.00 3.15  ?  15 LYS A CD   6  
ATOM   1360 C CE   . LYS A 1 15 ? -8.406  -2.415  11.386 1.00 5.10  ?  15 LYS A CE   6  
ATOM   1361 N NZ   . LYS A 1 15 ? -7.702  -3.482  12.150 1.00 24.11 1  15 LYS A NZ   6  
ATOM   1362 H H    . LYS A 1 15 ? -8.821  0.664   9.057  1.00 14.13 ?  15 LYS A H    6  
ATOM   1363 H HA   . LYS A 1 15 ? -10.256 -1.641  9.583  1.00 62.33 ?  15 LYS A HA   6  
ATOM   1364 H HB2  . LYS A 1 15 ? -10.756 1.099   10.758 1.00 40.30 ?  15 LYS A HB2  6  
ATOM   1365 H HB3  . LYS A 1 15 ? -11.244 -0.434  11.466 1.00 33.21 ?  15 LYS A HB3  6  
ATOM   1366 H HG2  . LYS A 1 15 ? -8.362  0.084   10.878 1.00 44.53 ?  15 LYS A HG2  6  
ATOM   1367 H HG3  . LYS A 1 15 ? -9.112  0.768   12.322 1.00 11.25 ?  15 LYS A HG3  6  
ATOM   1368 H HD2  . LYS A 1 15 ? -8.351  -1.229  13.156 1.00 72.23 ?  15 LYS A HD2  6  
ATOM   1369 H HD3  . LYS A 1 15 ? -9.974  -1.698  12.643 1.00 53.42 ?  15 LYS A HD3  6  
ATOM   1370 H HE2  . LYS A 1 15 ? -9.200  -2.862  10.809 1.00 34.30 ?  15 LYS A HE2  6  
ATOM   1371 H HE3  . LYS A 1 15 ? -7.702  -1.937  10.721 1.00 22.05 ?  15 LYS A HE3  6  
ATOM   1372 H HZ1  . LYS A 1 15 ? -8.081  -3.538  13.117 1.00 60.33 ?  15 LYS A HZ1  6  
ATOM   1373 H HZ2  . LYS A 1 15 ? -7.834  -4.403  11.684 1.00 62.45 ?  15 LYS A HZ2  6  
ATOM   1374 H HZ3  . LYS A 1 15 ? -6.684  -3.275  12.201 1.00 41.22 ?  15 LYS A HZ3  6  
HETATM 1375 N N    . PCA A 1 1  ? 3.101   -3.083  -5.286 1.00 11.13 ?  1  PCA A N    7  
HETATM 1376 C CA   . PCA A 1 1  ? 4.191   -2.501  -4.456 1.00 24.44 ?  1  PCA A CA   7  
HETATM 1377 C CB   . PCA A 1 1  ? 4.597   -1.247  -5.248 1.00 44.42 ?  1  PCA A CB   7  
HETATM 1378 C CG   . PCA A 1 1  ? 4.300   -1.617  -6.706 1.00 33.24 ?  1  PCA A CG   7  
HETATM 1379 C CD   . PCA A 1 1  ? 3.162   -2.616  -6.622 1.00 11.24 ?  1  PCA A CD   7  
HETATM 1380 O OE   . PCA A 1 1  ? 2.416   -2.957  -7.519 1.00 22.43 ?  1  PCA A OE   7  
HETATM 1381 C C    . PCA A 1 1  ? 3.696   -2.159  -3.028 1.00 35.00 ?  1  PCA A C    7  
HETATM 1382 O O    . PCA A 1 1  ? 3.791   -1.015  -2.585 1.00 53.44 ?  1  PCA A O    7  
HETATM 1383 H HA   . PCA A 1 1  ? 4.993   -3.239  -4.382 1.00 63.24 ?  1  PCA A HA   7  
HETATM 1384 H HB2  . PCA A 1 1  ? 4.031   -0.379  -4.904 1.00 51.22 ?  1  PCA A HB2  7  
HETATM 1385 H HB3  . PCA A 1 1  ? 5.662   -1.050  -5.115 1.00 62.35 ?  1  PCA A HB3  7  
HETATM 1386 H HG2  . PCA A 1 1  ? 3.949   -0.754  -7.281 1.00 32.34 ?  1  PCA A HG2  7  
HETATM 1387 H HG3  . PCA A 1 1  ? 5.142   -2.061  -7.249 1.00 1.32  ?  1  PCA A HG3  7  
ATOM   1388 N N    . GLY A 1 2  ? 3.174   -3.163  -2.332 1.00 41.40 ?  2  GLY A N    7  
ATOM   1389 C CA   . GLY A 1 2  ? 2.680   -2.953  -0.983 1.00 31.12 ?  2  GLY A CA   7  
ATOM   1390 C C    . GLY A 1 2  ? 1.584   -3.930  -0.608 1.00 64.33 ?  2  GLY A C    7  
ATOM   1391 O O    . GLY A 1 2  ? 0.962   -4.542  -1.478 1.00 60.30 ?  2  GLY A O    7  
ATOM   1392 H H    . GLY A 1 2  ? 3.124   -4.055  -2.736 1.00 2.33  ?  2  GLY A H    7  
ATOM   1393 H HA2  . GLY A 1 2  ? 3.500   -3.064  -0.290 1.00 1.55  ?  2  GLY A HA2  7  
ATOM   1394 H HA3  . GLY A 1 2  ? 2.291   -1.947  -0.908 1.00 61.12 ?  2  GLY A HA3  7  
ATOM   1395 N N    . CYS A 1 3  ? 1.346   -4.080  0.691  1.00 5.34  ?  3  CYS A N    7  
ATOM   1396 C CA   . CYS A 1 3  ? 0.318   -4.992  1.179  1.00 74.31 ?  3  CYS A CA   7  
ATOM   1397 C C    . CYS A 1 3  ? -1.052  -4.321  1.171  1.00 50.31 ?  3  CYS A C    7  
ATOM   1398 O O    . CYS A 1 3  ? -2.067  -4.963  0.895  1.00 54.34 ?  3  CYS A O    7  
ATOM   1399 C CB   . CYS A 1 3  ? 0.658   -5.464  2.595  1.00 62.42 ?  3  CYS A CB   7  
ATOM   1400 S SG   . CYS A 1 3  ? 0.165   -7.182  2.944  1.00 34.43 ?  3  CYS A SG   7  
ATOM   1401 H H    . CYS A 1 3  ? 1.874   -3.565  1.336  1.00 52.12 ?  3  CYS A H    7  
ATOM   1402 H HA   . CYS A 1 3  ? 0.292   -5.846  0.522  1.00 31.55 ?  3  CYS A HA   7  
ATOM   1403 H HB2  . CYS A 1 3  ? 1.726   -5.393  2.743  1.00 65.14 ?  3  CYS A HB2  7  
ATOM   1404 H HB3  . CYS A 1 3  ? 0.158   -4.826  3.309  1.00 35.30 ?  3  CYS A HB3  7  
ATOM   1405 N N    . CYS A 1 4  ? -1.075  -3.028  1.474  1.00 4.35  ?  4  CYS A N    7  
ATOM   1406 C CA   . CYS A 1 4  ? -2.320  -2.269  1.502  1.00 71.11 ?  4  CYS A CA   7  
ATOM   1407 C C    . CYS A 1 4  ? -3.084  -2.431  0.191  1.00 22.25 ?  4  CYS A C    7  
ATOM   1408 O O    . CYS A 1 4  ? -4.314  -2.372  0.164  1.00 50.41 ?  4  CYS A O    7  
ATOM   1409 C CB   . CYS A 1 4  ? -2.034  -0.789  1.760  1.00 32.54 ?  4  CYS A CB   7  
ATOM   1410 S SG   . CYS A 1 4  ? -3.437  0.125   2.477  1.00 53.23 ?  4  CYS A SG   7  
ATOM   1411 H H    . CYS A 1 4  ? -0.233  -2.572  1.685  1.00 63.22 ?  4  CYS A H    7  
ATOM   1412 H HA   . CYS A 1 4  ? -2.925  -2.656  2.307  1.00 41.04 ?  4  CYS A HA   7  
ATOM   1413 H HB2  . CYS A 1 4  ? -1.202  -0.705  2.445  1.00 64.22 ?  4  CYS A HB2  7  
ATOM   1414 H HB3  . CYS A 1 4  ? -1.773  -0.313  0.825  1.00 55.24 ?  4  CYS A HB3  7  
ATOM   1415 N N    . THR A 1 5  ? -2.346  -2.634  -0.897 1.00 33.14 ?  5  THR A N    7  
ATOM   1416 C CA   . THR A 1 5  ? -2.953  -2.803  -2.211 1.00 53.20 ?  5  THR A CA   7  
ATOM   1417 C C    . THR A 1 5  ? -3.704  -4.127  -2.304 1.00 2.14  ?  5  THR A C    7  
ATOM   1418 O O    . THR A 1 5  ? -4.696  -4.238  -3.024 1.00 45.33 ?  5  THR A O    7  
ATOM   1419 C CB   . THR A 1 5  ? -1.896  -2.745  -3.330 1.00 34.35 ?  5  THR A CB   7  
ATOM   1420 O OG1  . THR A 1 5  ? -1.190  -1.500  -3.274 1.00 72.22 ?  5  THR A OG1  7  
ATOM   1421 C CG2  . THR A 1 5  ? -2.544  -2.906  -4.696 1.00 23.04 ?  5  THR A CG2  7  
ATOM   1422 H H    . THR A 1 5  ? -1.371  -2.671  -0.811 1.00 60.31 ?  5  THR A H    7  
ATOM   1423 H HA   . THR A 1 5  ? -3.651  -1.992  -2.363 1.00 24.12 ?  5  THR A HA   7  
ATOM   1424 H HB   . THR A 1 5  ? -1.194  -3.555  -3.183 1.00 23.31 ?  5  THR A HB   7  
ATOM   1425 H HG1  . THR A 1 5  ? -1.818  -0.781  -3.172 1.00 50.44 ?  5  THR A HG1  7  
ATOM   1426 H HG21 . THR A 1 5  ? -1.920  -2.444  -5.447 1.00 45.03 ?  5  THR A HG21 7  
ATOM   1427 H HG22 . THR A 1 5  ? -2.657  -3.957  -4.920 1.00 42.20 ?  5  THR A HG22 7  
ATOM   1428 H HG23 . THR A 1 5  ? -3.514  -2.432  -4.692 1.00 23.13 ?  5  THR A HG23 7  
ATOM   1429 N N    . ASP A 1 6  ? -3.225  -5.126  -1.572 1.00 3.10  ?  6  ASP A N    7  
ATOM   1430 C CA   . ASP A 1 6  ? -3.852  -6.441  -1.571 1.00 50.31 ?  6  ASP A CA   7  
ATOM   1431 C C    . ASP A 1 6  ? -5.142  -6.429  -0.756 1.00 20.41 ?  6  ASP A C    7  
ATOM   1432 O O    . ASP A 1 6  ? -5.301  -5.652  0.185  1.00 44.31 ?  6  ASP A O    7  
ATOM   1433 C CB   . ASP A 1 6  ? -2.889  -7.489  -1.009 1.00 73.24 ?  6  ASP A CB   7  
ATOM   1434 C CG   . ASP A 1 6  ? -1.972  -8.062  -2.071 1.00 24.01 ?  6  ASP A CG   7  
ATOM   1435 O OD1  . ASP A 1 6  ? -1.370  -7.269  -2.826 1.00 3.32  ?  6  ASP A OD1  7  
ATOM   1436 O OD2  . ASP A 1 6  ? -1.856  -9.303  -2.148 1.00 15.43 -1 6  ASP A OD2  7  
ATOM   1437 H H    . ASP A 1 6  ? -2.430  -4.974  -1.017 1.00 22.03 ?  6  ASP A H    7  
ATOM   1438 H HA   . ASP A 1 6  ? -4.090  -6.697  -2.593 1.00 52.23 ?  6  ASP A HA   7  
ATOM   1439 H HB2  . ASP A 1 6  ? -2.280  -7.034  -0.241 1.00 62.22 ?  6  ASP A HB2  7  
ATOM   1440 H HB3  . ASP A 1 6  ? -3.460  -8.298  -0.577 1.00 75.25 ?  6  ASP A HB3  7  
ATOM   1441 N N    . PRO A 1 7  ? -6.084  -7.308  -1.124 1.00 4.05  ?  7  PRO A N    7  
ATOM   1442 C CA   . PRO A 1 7  ? -7.376  -7.417  -0.441 1.00 44.51 ?  7  PRO A CA   7  
ATOM   1443 C C    . PRO A 1 7  ? -7.243  -8.000  0.962  1.00 2.22  ?  7  PRO A C    7  
ATOM   1444 O O    . PRO A 1 7  ? -7.831  -7.489  1.915  1.00 33.15 ?  7  PRO A O    7  
ATOM   1445 C CB   . PRO A 1 7  ? -8.174  -8.365  -1.339 1.00 22.34 ?  7  PRO A CB   7  
ATOM   1446 C CG   . PRO A 1 7  ? -7.144  -9.175  -2.046 1.00 41.54 ?  7  PRO A CG   7  
ATOM   1447 C CD   . PRO A 1 7  ? -5.961  -8.265  -2.237 1.00 33.00 ?  7  PRO A CD   7  
ATOM   1448 H HA   . PRO A 1 7  ? -7.878  -6.463  -0.386 1.00 64.43 ?  7  PRO A HA   7  
ATOM   1449 H HB2  . PRO A 1 7  ? -8.817  -8.986  -0.731 1.00 50.11 ?  7  PRO A HB2  7  
ATOM   1450 H HB3  . PRO A 1 7  ? -8.771  -7.793  -2.034 1.00 12.35 ?  7  PRO A HB3  7  
ATOM   1451 H HG2  . PRO A 1 7  ? -6.868  -10.026 -1.443 1.00 2.22  ?  7  PRO A HG2  7  
ATOM   1452 H HG3  . PRO A 1 7  ? -7.524  -9.499  -3.003 1.00 75.12 ?  7  PRO A HG3  7  
ATOM   1453 H HD2  . PRO A 1 7  ? -5.040  -8.824  -2.166 1.00 2.45  ?  7  PRO A HD2  7  
ATOM   1454 H HD3  . PRO A 1 7  ? -6.025  -7.758  -3.188 1.00 65.12 ?  7  PRO A HD3  7  
ATOM   1455 N N    . ARG A 1 8  ? -6.465  -9.071  1.081  1.00 31.05 ?  8  ARG A N    7  
ATOM   1456 C CA   . ARG A 1 8  ? -6.254  -9.723  2.368  1.00 53.43 ?  8  ARG A CA   7  
ATOM   1457 C C    . ARG A 1 8  ? -5.681  -8.743  3.388  1.00 65.42 ?  8  ARG A C    7  
ATOM   1458 O O    . ARG A 1 8  ? -6.007  -8.801  4.573  1.00 24.44 ?  8  ARG A O    7  
ATOM   1459 C CB   . ARG A 1 8  ? -5.315  -10.920 2.211  1.00 63.11 ?  8  ARG A CB   7  
ATOM   1460 C CG   . ARG A 1 8  ? -3.926  -10.543 1.720  1.00 71.54 ?  8  ARG A CG   7  
ATOM   1461 C CD   . ARG A 1 8  ? -3.213  -11.734 1.099  1.00 24.33 ?  8  ARG A CD   7  
ATOM   1462 N NE   . ARG A 1 8  ? -3.588  -11.929 -0.299 1.00 70.34 ?  8  ARG A NE   7  
ATOM   1463 C CZ   . ARG A 1 8  ? -2.954  -12.757 -1.121 1.00 35.53 ?  8  ARG A CZ   7  
ATOM   1464 N NH1  . ARG A 1 8  ? -1.920  -13.464 -0.688 1.00 63.04 1  8  ARG A NH1  7  
ATOM   1465 N NH2  . ARG A 1 8  ? -3.356  -12.880 -2.380 1.00 10.15 ?  8  ARG A NH2  7  
ATOM   1466 H H    . ARG A 1 8  ? -6.022  -9.432  0.285  1.00 64.21 ?  8  ARG A H    7  
ATOM   1467 H HA   . ARG A 1 8  ? -7.213  -10.073 2.724  1.00 73.52 ?  8  ARG A HA   7  
ATOM   1468 H HB2  . ARG A 1 8  ? -5.214  -11.412 3.167  1.00 61.45 ?  8  ARG A HB2  7  
ATOM   1469 H HB3  . ARG A 1 8  ? -5.747  -11.611 1.503  1.00 40.11 ?  8  ARG A HB3  7  
ATOM   1470 H HG2  . ARG A 1 8  ? -4.016  -9.764  0.977  1.00 53.32 ?  8  ARG A HG2  7  
ATOM   1471 H HG3  . ARG A 1 8  ? -3.345  -10.182 2.556  1.00 30.32 ?  8  ARG A HG3  7  
ATOM   1472 H HD2  . ARG A 1 8  ? -2.148  -11.568 1.156  1.00 53.54 ?  8  ARG A HD2  7  
ATOM   1473 H HD3  . ARG A 1 8  ? -3.469  -12.621 1.658  1.00 33.33 ?  8  ARG A HD3  7  
ATOM   1474 H HE   . ARG A 1 8  ? -4.349  -11.415 -0.640 1.00 23.04 ?  8  ARG A HE   7  
ATOM   1475 H HH11 . ARG A 1 8  ? -1.616  -13.374 0.261  1.00 14.24 ?  8  ARG A HH11 7  
ATOM   1476 H HH12 . ARG A 1 8  ? -1.445  -14.089 -1.309 1.00 53.33 ?  8  ARG A HH12 7  
ATOM   1477 H HH21 . ARG A 1 8  ? -4.135  -12.349 -2.711 1.00 72.15 ?  8  ARG A HH21 7  
ATOM   1478 H HH22 . ARG A 1 8  ? -2.878  -13.503 -2.999 1.00 51.31 ?  8  ARG A HH22 7  
ATOM   1479 N N    . CYS A 1 9  ? -4.824  -7.843  2.918  1.00 23.53 ?  9  CYS A N    7  
ATOM   1480 C CA   . CYS A 1 9  ? -4.204  -6.850  3.786  1.00 21.11 ?  9  CYS A CA   7  
ATOM   1481 C C    . CYS A 1 9  ? -5.087  -5.614  3.918  1.00 22.01 ?  9  CYS A C    7  
ATOM   1482 O O    . CYS A 1 9  ? -5.123  -4.972  4.968  1.00 24.12 ?  9  CYS A O    7  
ATOM   1483 C CB   . CYS A 1 9  ? -2.830  -6.454  3.242  1.00 13.23 ?  9  CYS A CB   7  
ATOM   1484 S SG   . CYS A 1 9  ? -1.431  -7.055  4.243  1.00 54.11 ?  9  CYS A SG   7  
ATOM   1485 H H    . CYS A 1 9  ? -4.603  -7.846  1.962  1.00 40.33 ?  9  CYS A H    7  
ATOM   1486 H HA   . CYS A 1 9  ? -4.079  -7.295  4.762  1.00 20.44 ?  9  CYS A HA   7  
ATOM   1487 H HB2  . CYS A 1 9  ? -2.716  -6.855  2.246  1.00 24.41 ?  9  CYS A HB2  7  
ATOM   1488 H HB3  . CYS A 1 9  ? -2.765  -5.376  3.199  1.00 71.44 ?  9  CYS A HB3  7  
ATOM   1489 N N    . ARG A 1 10 ? -5.798  -5.284  2.844  1.00 3.34  ?  10 ARG A N    7  
ATOM   1490 C CA   . ARG A 1 10 ? -6.681  -4.125  2.838  1.00 22.50 ?  10 ARG A CA   7  
ATOM   1491 C C    . ARG A 1 10 ? -7.627  -4.155  4.035  1.00 41.43 ?  10 ARG A C    7  
ATOM   1492 O O    . ARG A 1 10 ? -7.972  -3.115  4.594  1.00 53.40 ?  10 ARG A O    7  
ATOM   1493 C CB   . ARG A 1 10 ? -7.488  -4.078  1.539  1.00 31.33 ?  10 ARG A CB   7  
ATOM   1494 C CG   . ARG A 1 10 ? -8.466  -2.916  1.472  1.00 21.23 ?  10 ARG A CG   7  
ATOM   1495 C CD   . ARG A 1 10 ? -7.750  -1.596  1.233  1.00 41.14 ?  10 ARG A CD   7  
ATOM   1496 N NE   . ARG A 1 10 ? -8.673  -0.465  1.226  1.00 43.11 ?  10 ARG A NE   7  
ATOM   1497 C CZ   . ARG A 1 10 ? -9.543  -0.234  0.249  1.00 63.03 ?  10 ARG A CZ   7  
ATOM   1498 N NH1  . ARG A 1 10 ? -9.608  -1.050  -0.794 1.00 13.21 1  10 ARG A NH1  7  
ATOM   1499 N NH2  . ARG A 1 10 ? -10.351 0.817   0.314  1.00 73.00 ?  10 ARG A NH2  7  
ATOM   1500 H H    . ARG A 1 10 ? -5.728  -5.835  2.036  1.00 4.50  ?  10 ARG A H    7  
ATOM   1501 H HA   . ARG A 1 10 ? -6.067  -3.240  2.903  1.00 22.35 ?  10 ARG A HA   7  
ATOM   1502 H HB2  . ARG A 1 10 ? -6.804  -3.991  0.707  1.00 62.12 ?  10 ARG A HB2  7  
ATOM   1503 H HB3  . ARG A 1 10 ? -8.046  -4.996  1.442  1.00 64.12 ?  10 ARG A HB3  7  
ATOM   1504 H HG2  . ARG A 1 10 ? -9.160  -3.088  0.662  1.00 70.13 ?  10 ARG A HG2  7  
ATOM   1505 H HG3  . ARG A 1 10 ? -9.007  -2.859  2.405  1.00 3.04  ?  10 ARG A HG3  7  
ATOM   1506 H HD2  . ARG A 1 10 ? -7.022  -1.449  2.018  1.00 75.31 ?  10 ARG A HD2  7  
ATOM   1507 H HD3  . ARG A 1 10 ? -7.245  -1.645  0.280  1.00 15.42 ?  10 ARG A HD3  7  
ATOM   1508 H HE   . ARG A 1 10 ? -8.643  0.150   1.986  1.00 22.23 ?  10 ARG A HE   7  
ATOM   1509 H HH11 . ARG A 1 10 ? -9.001  -1.844  -0.845 1.00 73.23 ?  10 ARG A HH11 7  
ATOM   1510 H HH12 . ARG A 1 10 ? -10.265 -0.874  -1.528 1.00 55.15 ?  10 ARG A HH12 7  
ATOM   1511 H HH21 . ARG A 1 10 ? -10.306 1.435   1.098  1.00 54.34 ?  10 ARG A HH21 7  
ATOM   1512 H HH22 . ARG A 1 10 ? -11.005 0.990   -0.422 1.00 52.33 ?  10 ARG A HH22 7  
HETATM 1513 N N    . IYR A 1 11 ? -8.043  -5.357  4.424  1.00 4.14  ?  11 IYR A N    7  
HETATM 1514 C CA   . IYR A 1 11 ? -8.951  -5.523  5.558  1.00 0.21  ?  11 IYR A CA   7  
HETATM 1515 C CB   . IYR A 1 11 ? -9.176  -7.033  5.899  1.00 41.10 ?  11 IYR A CB   7  
HETATM 1516 C CC   . IYR A 1 11 ? -10.384 -7.621  5.203  1.00 75.23 ?  11 IYR A CC   7  
HETATM 1517 C CD   . IYR A 1 11 ? -10.499 -7.566  3.809  1.00 61.33 ?  11 IYR A CD   7  
HETATM 1518 C CE   . IYR A 1 11 ? -11.602 -8.117  3.161  1.00 42.44 ?  11 IYR A CE   7  
HETATM 1519 I IE   . IYR A 1 11 ? -11.726 -8.007  1.009  1.00 44.41 ?  11 IYR A IE   7  
HETATM 1520 C CF   . IYR A 1 11 ? -12.629 -8.742  3.881  1.00 74.31 ?  11 IYR A CF   7  
HETATM 1521 O OF   . IYR A 1 11 ? -13.761 -9.311  3.337  1.00 52.10 ?  11 IYR A OF   7  
HETATM 1522 C CG   . IYR A 1 11 ? -12.509 -8.795  5.279  1.00 73.43 ?  11 IYR A CG   7  
HETATM 1523 C CH   . IYR A 1 11 ? -11.411 -8.248  5.928  1.00 10.04 ?  11 IYR A CH   7  
HETATM 1524 C C    . IYR A 1 11 ? -8.255  -4.860  6.762  1.00 25.12 ?  11 IYR A C    7  
HETATM 1525 O O    . IYR A 1 11 ? -8.859  -4.060  7.476  1.00 74.52 ?  11 IYR A O    7  
HETATM 1526 H H    . IYR A 1 11 ? -7.732  -6.150  3.939  1.00 14.32 ?  11 IYR A H    7  
HETATM 1527 H HA   . IYR A 1 11 ? -9.902  -5.045  5.314  1.00 72.33 ?  11 IYR A HA   7  
HETATM 1528 H HB2  . IYR A 1 11 ? -8.269  -7.572  5.604  1.00 11.51 ?  11 IYR A HB2  7  
HETATM 1529 H HB3  . IYR A 1 11 ? -9.282  -7.126  6.986  1.00 60.32 ?  11 IYR A HB3  7  
HETATM 1530 H HD   . IYR A 1 11 ? -9.725  -7.080  3.227  1.00 22.10 ?  11 IYR A HD   7  
HETATM 1531 H HF   . IYR A 1 11 ? -13.690 -10.305 3.318  1.00 73.54 ?  11 IYR A HF   7  
HETATM 1532 H HG   . IYR A 1 11 ? -13.307 -9.275  5.830  1.00 11.24 ?  11 IYR A HG   7  
HETATM 1533 H HH   . IYR A 1 11 ? -11.346 -8.303  7.008  1.00 13.23 ?  11 IYR A HH   7  
ATOM   1534 N N    . GLN A 1 12 ? -6.987  -5.203  6.969  1.00 64.22 ?  12 GLN A N    7  
ATOM   1535 C CA   . GLN A 1 12 ? -6.218  -4.647  8.076  1.00 44.33 ?  12 GLN A CA   7  
ATOM   1536 C C    . GLN A 1 12 ? -5.928  -3.167  7.847  1.00 33.45 ?  12 GLN A C    7  
ATOM   1537 O O    . GLN A 1 12 ? -6.008  -2.358  8.772  1.00 13.21 ?  12 GLN A O    7  
ATOM   1538 C CB   . GLN A 1 12 ? -4.905  -5.414  8.248  1.00 31.21 ?  12 GLN A CB   7  
ATOM   1539 C CG   . GLN A 1 12 ? -3.963  -4.787  9.263  1.00 72.54 ?  12 GLN A CG   7  
ATOM   1540 C CD   . GLN A 1 12 ? -2.939  -5.770  9.793  1.00 2.41  ?  12 GLN A CD   7  
ATOM   1541 O OE1  . GLN A 1 12 ? -1.738  -5.618  9.566  1.00 4.14  ?  12 GLN A OE1  7  
ATOM   1542 N NE2  . GLN A 1 12 ? -3.407  -6.789  10.505 1.00 42.44 ?  12 GLN A NE2  7  
ATOM   1543 H H    . GLN A 1 12 ? -6.561  -5.845  6.365  1.00 63.03 ?  12 GLN A H    7  
ATOM   1544 H HA   . GLN A 1 12 ? -6.806  -4.751  8.974  1.00 74.14 ?  12 GLN A HA   7  
ATOM   1545 H HB2  . GLN A 1 12 ? -5.130  -6.420  8.570  1.00 65.51 ?  12 GLN A HB2  7  
ATOM   1546 H HB3  . GLN A 1 12 ? -4.399  -5.455  7.296  1.00 55.52 ?  12 GLN A HB3  7  
ATOM   1547 H HG2  . GLN A 1 12 ? -3.441  -3.967  8.792  1.00 33.31 ?  12 GLN A HG2  7  
ATOM   1548 H HG3  . GLN A 1 12 ? -4.545  -4.413  10.092 1.00 2.55  ?  12 GLN A HG3  7  
ATOM   1549 H HE21 . GLN A 1 12 ? -4.377  -6.848  10.645 1.00 20.44 ?  12 GLN A HE21 7  
ATOM   1550 H HE22 . GLN A 1 12 ? -2.768  -7.440  10.859 1.00 41.34 ?  12 GLN A HE22 7  
ATOM   1551 N N    . CYS A 1 13 ? -5.592  -2.819  6.609  1.00 25.25 ?  13 CYS A N    7  
ATOM   1552 C CA   . CYS A 1 13 ? -5.290  -1.436  6.259  1.00 24.34 ?  13 CYS A CA   7  
ATOM   1553 C C    . CYS A 1 13 ? -6.477  -0.526  6.564  1.00 61.23 ?  13 CYS A C    7  
ATOM   1554 O O    . CYS A 1 13 ? -6.302  0.629   6.955  1.00 1.13  ?  13 CYS A O    7  
ATOM   1555 C CB   . CYS A 1 13 ? -4.923  -1.333  4.777  1.00 11.44 ?  13 CYS A CB   7  
ATOM   1556 S SG   . CYS A 1 13 ? -3.496  -0.251  4.440  1.00 70.22 ?  13 CYS A SG   7  
ATOM   1557 H H    . CYS A 1 13 ? -5.547  -3.509  5.914  1.00 70.11 ?  13 CYS A H    7  
ATOM   1558 H HA   . CYS A 1 13 ? -4.447  -1.120  6.854  1.00 71.43 ?  13 CYS A HA   7  
ATOM   1559 H HB2  . CYS A 1 13 ? -4.682  -2.318  4.405  1.00 64.53 ?  13 CYS A HB2  7  
ATOM   1560 H HB3  . CYS A 1 13 ? -5.768  -0.944  4.231  1.00 23.34 ?  13 CYS A HB3  7  
ATOM   1561 N N    . TYR A 1 14 ? -7.682  -1.054  6.383  1.00 22.23 ?  14 TYR A N    7  
ATOM   1562 C CA   . TYR A 1 14 ? -8.898  -0.289  6.637  1.00 41.03 ?  14 TYR A CA   7  
ATOM   1563 C C    . TYR A 1 14 ? -8.893  0.289   8.049  1.00 41.31 ?  14 TYR A C    7  
ATOM   1564 O O    . TYR A 1 14 ? -9.060  -0.436  9.031  1.00 14.42 ?  14 TYR A O    7  
ATOM   1565 C CB   . TYR A 1 14 ? -10.131 -1.172  6.439  1.00 50.31 ?  14 TYR A CB   7  
ATOM   1566 C CG   . TYR A 1 14 ? -11.420 -0.392  6.316  1.00 32.42 ?  14 TYR A CG   7  
ATOM   1567 C CD1  . TYR A 1 14 ? -11.713 0.327   5.164  1.00 72.15 ?  14 TYR A CD1  7  
ATOM   1568 C CD2  . TYR A 1 14 ? -12.345 -0.373  7.353  1.00 25.42 ?  14 TYR A CD2  7  
ATOM   1569 C CE1  . TYR A 1 14 ? -12.889 1.043   5.047  1.00 24.03 ?  14 TYR A CE1  7  
ATOM   1570 C CE2  . TYR A 1 14 ? -13.524 0.339   7.244  1.00 41.21 ?  14 TYR A CE2  7  
ATOM   1571 C CZ   . TYR A 1 14 ? -13.792 1.044   6.090  1.00 60.41 ?  14 TYR A CZ   7  
ATOM   1572 O OH   . TYR A 1 14 ? -14.965 1.756   5.978  1.00 51.03 ?  14 TYR A OH   7  
ATOM   1573 H H    . TYR A 1 14 ? -7.757  -1.980  6.070  1.00 44.30 ?  14 TYR A H    7  
ATOM   1574 H HA   . TYR A 1 14 ? -8.932  0.524   5.928  1.00 0.44  ?  14 TYR A HA   7  
ATOM   1575 H HB2  . TYR A 1 14 ? -10.009 -1.753  5.539  1.00 42.13 ?  14 TYR A HB2  7  
ATOM   1576 H HB3  . TYR A 1 14 ? -10.226 -1.840  7.283  1.00 64.40 ?  14 TYR A HB3  7  
ATOM   1577 H HD1  . TYR A 1 14 ? -11.003 0.324   4.349  1.00 1.23  ?  14 TYR A HD1  7  
ATOM   1578 H HD2  . TYR A 1 14 ? -12.133 -0.926  8.256  1.00 52.34 ?  14 TYR A HD2  7  
ATOM   1579 H HE1  . TYR A 1 14 ? -13.098 1.596   4.143  1.00 35.44 ?  14 TYR A HE1  7  
ATOM   1580 H HE2  . TYR A 1 14 ? -14.232 0.340   8.060  1.00 11.21 ?  14 TYR A HE2  7  
ATOM   1581 H HH   . TYR A 1 14 ? -14.774 2.639   5.653  1.00 34.25 ?  14 TYR A HH   7  
ATOM   1582 N N    . LYS A 1 15 ? -8.700  1.599   8.143  1.00 31.30 ?  15 LYS A N    7  
ATOM   1583 C CA   . LYS A 1 15 ? -8.675  2.279   9.434  1.00 33.13 ?  15 LYS A CA   7  
ATOM   1584 C C    . LYS A 1 15 ? -10.030 2.907   9.745  1.00 75.54 ?  15 LYS A C    7  
ATOM   1585 O O    . LYS A 1 15 ? -10.777 2.411   10.588 1.00 12.22 ?  15 LYS A O    7  
ATOM   1586 C CB   . LYS A 1 15 ? -7.586  3.354   9.446  1.00 23.42 ?  15 LYS A CB   7  
ATOM   1587 C CG   . LYS A 1 15 ? -6.191  2.806   9.688  1.00 42.22 ?  15 LYS A CG   7  
ATOM   1588 C CD   . LYS A 1 15 ? -5.145  3.906   9.648  1.00 3.15  ?  15 LYS A CD   7  
ATOM   1589 C CE   . LYS A 1 15 ? -4.771  4.267   8.218  1.00 5.10  ?  15 LYS A CE   7  
ATOM   1590 N NZ   . LYS A 1 15 ? -3.995  5.536   8.151  1.00 24.11 1  15 LYS A NZ   7  
ATOM   1591 H H    . LYS A 1 15 ? -8.573  2.125   7.325  1.00 14.13 ?  15 LYS A H    7  
ATOM   1592 H HA   . LYS A 1 15 ? -8.451  1.543   10.192 1.00 62.33 ?  15 LYS A HA   7  
ATOM   1593 H HB2  . LYS A 1 15 ? -7.590  3.864   8.494  1.00 40.30 ?  15 LYS A HB2  7  
ATOM   1594 H HB3  . LYS A 1 15 ? -7.811  4.067   10.228 1.00 33.21 ?  15 LYS A HB3  7  
ATOM   1595 H HG2  . LYS A 1 15 ? -6.163  2.334   10.659 1.00 44.53 ?  15 LYS A HG2  7  
ATOM   1596 H HG3  . LYS A 1 15 ? -5.964  2.075   8.925  1.00 11.25 ?  15 LYS A HG3  7  
ATOM   1597 H HD2  . LYS A 1 15 ? -5.537  4.785   10.137 1.00 72.23 ?  15 LYS A HD2  7  
ATOM   1598 H HD3  . LYS A 1 15 ? -4.259  3.568   10.167 1.00 53.42 ?  15 LYS A HD3  7  
ATOM   1599 H HE2  . LYS A 1 15 ? -4.175  3.468   7.803  1.00 34.30 ?  15 LYS A HE2  7  
ATOM   1600 H HE3  . LYS A 1 15 ? -5.677  4.378   7.640  1.00 22.05 ?  15 LYS A HE3  7  
ATOM   1601 H HZ1  . LYS A 1 15 ? -3.930  5.966   9.096  1.00 60.33 ?  15 LYS A HZ1  7  
ATOM   1602 H HZ2  . LYS A 1 15 ? -3.034  5.349   7.800  1.00 62.45 ?  15 LYS A HZ2  7  
ATOM   1603 H HZ3  . LYS A 1 15 ? -4.462  6.207   7.508  1.00 41.22 ?  15 LYS A HZ3  7  
HETATM 1604 N N    . PCA A 1 1  ? 1.633   -0.347  -3.819 1.00 11.13 ?  1  PCA A N    8  
HETATM 1605 C CA   . PCA A 1 1  ? 2.908   -1.103  -3.683 1.00 24.44 ?  1  PCA A CA   8  
HETATM 1606 C CB   . PCA A 1 1  ? 3.985   -0.050  -3.975 1.00 44.42 ?  1  PCA A CB   8  
HETATM 1607 C CG   . PCA A 1 1  ? 3.337   1.274   -3.553 1.00 33.24 ?  1  PCA A CG   8  
HETATM 1608 C CD   . PCA A 1 1  ? 1.850   1.051   -3.752 1.00 11.24 ?  1  PCA A CD   8  
HETATM 1609 O OE   . PCA A 1 1  ? 0.983   1.900   -3.829 1.00 22.43 ?  1  PCA A OE   8  
HETATM 1610 C C    . PCA A 1 1  ? 3.062   -1.705  -2.264 1.00 35.00 ?  1  PCA A C    8  
HETATM 1611 O O    . PCA A 1 1  ? 3.477   -1.021  -1.329 1.00 53.44 ?  1  PCA A O    8  
HETATM 1612 H HA   . PCA A 1 1  ? 2.901   -1.918  -4.410 1.00 63.24 ?  1  PCA A HA   8  
HETATM 1613 H HB2  . PCA A 1 1  ? 4.901   -0.273  -3.424 1.00 51.22 ?  1  PCA A HB2  8  
HETATM 1614 H HB3  . PCA A 1 1  ? 4.209   -0.041  -5.043 1.00 62.35 ?  1  PCA A HB3  8  
HETATM 1615 H HG2  . PCA A 1 1  ? 3.506   1.488   -2.491 1.00 32.34 ?  1  PCA A HG2  8  
HETATM 1616 H HG3  . PCA A 1 1  ? 3.661   2.148   -4.128 1.00 1.32  ?  1  PCA A HG3  8  
ATOM   1617 N N    . GLY A 1 2  ? 2.721   -2.984  -2.128 1.00 41.40 ?  2  GLY A N    8  
ATOM   1618 C CA   . GLY A 1 2  ? 2.827   -3.647  -0.841 1.00 31.12 ?  2  GLY A CA   8  
ATOM   1619 C C    . GLY A 1 2  ? 1.569   -4.410  -0.478 1.00 64.33 ?  2  GLY A C    8  
ATOM   1620 O O    . GLY A 1 2  ? 0.626   -4.480  -1.267 1.00 60.30 ?  2  GLY A O    8  
ATOM   1621 H H    . GLY A 1 2  ? 2.397   -3.480  -2.908 1.00 2.33  ?  2  GLY A H    8  
ATOM   1622 H HA2  . GLY A 1 2  ? 3.658   -4.336  -0.871 1.00 1.55  ?  2  GLY A HA2  8  
ATOM   1623 H HA3  . GLY A 1 2  ? 3.016   -2.905  -0.081 1.00 61.12 ?  2  GLY A HA3  8  
ATOM   1624 N N    . CYS A 1 3  ? 1.552   -4.984  0.721  1.00 5.34  ?  3  CYS A N    8  
ATOM   1625 C CA   . CYS A 1 3  ? 0.401   -5.748  1.188  1.00 74.31 ?  3  CYS A CA   8  
ATOM   1626 C C    . CYS A 1 3  ? -0.861  -4.889  1.178  1.00 50.31 ?  3  CYS A C    8  
ATOM   1627 O O    . CYS A 1 3  ? -1.953  -5.376  0.885  1.00 54.34 ?  3  CYS A O    8  
ATOM   1628 C CB   . CYS A 1 3  ? 0.657   -6.283  2.598  1.00 62.42 ?  3  CYS A CB   8  
ATOM   1629 S SG   . CYS A 1 3  ? -0.066  -7.925  2.912  1.00 34.43 ?  3  CYS A SG   8  
ATOM   1630 H H    . CYS A 1 3  ? 2.334   -4.892  1.306  1.00 52.12 ?  3  CYS A H    8  
ATOM   1631 H HA   . CYS A 1 3  ? 0.261   -6.580  0.516  1.00 31.55 ?  3  CYS A HA   8  
ATOM   1632 H HB2  . CYS A 1 3  ? 1.722   -6.358  2.759  1.00 65.14 ?  3  CYS A HB2  8  
ATOM   1633 H HB3  . CYS A 1 3  ? 0.237   -5.595  3.317  1.00 35.30 ?  3  CYS A HB3  8  
ATOM   1634 N N    . CYS A 1 4  ? -0.702  -3.610  1.501  1.00 4.35  ?  4  CYS A N    8  
ATOM   1635 C CA   . CYS A 1 4  ? -1.827  -2.684  1.530  1.00 71.11 ?  4  CYS A CA   8  
ATOM   1636 C C    . CYS A 1 4  ? -2.595  -2.719  0.212  1.00 22.25 ?  4  CYS A C    8  
ATOM   1637 O O    . CYS A 1 4  ? -3.806  -2.497  0.179  1.00 50.41 ?  4  CYS A O    8  
ATOM   1638 C CB   . CYS A 1 4  ? -1.336  -1.262  1.808  1.00 32.54 ?  4  CYS A CB   8  
ATOM   1639 S SG   . CYS A 1 4  ? -1.474  -0.756  3.554  1.00 53.23 ?  4  CYS A SG   8  
ATOM   1640 H H    . CYS A 1 4  ? 0.194   -3.280  1.725  1.00 63.22 ?  4  CYS A H    8  
ATOM   1641 H HA   . CYS A 1 4  ? -2.489  -2.989  2.326  1.00 41.04 ?  4  CYS A HA   8  
ATOM   1642 H HB2  . CYS A 1 4  ? -0.296  -1.186  1.527  1.00 64.22 ?  4  CYS A HB2  8  
ATOM   1643 H HB3  . CYS A 1 4  ? -1.915  -0.567  1.218  1.00 55.24 ?  4  CYS A HB3  8  
ATOM   1644 N N    . THR A 1 5  ? -1.882  -3.000  -0.875 1.00 33.14 ?  5  THR A N    8  
ATOM   1645 C CA   . THR A 1 5  ? -2.496  -3.063  -2.196 1.00 53.20 ?  5  THR A CA   8  
ATOM   1646 C C    . THR A 1 5  ? -3.412  -4.276  -2.318 1.00 2.14  ?  5  THR A C    8  
ATOM   1647 O O    . THR A 1 5  ? -4.404  -4.243  -3.047 1.00 45.33 ?  5  THR A O    8  
ATOM   1648 C CB   . THR A 1 5  ? -1.431  -3.125  -3.307 1.00 34.35 ?  5  THR A CB   8  
ATOM   1649 O OG1  . THR A 1 5  ? -0.265  -2.393  -2.910 1.00 72.22 ?  5  THR A OG1  8  
ATOM   1650 C CG2  . THR A 1 5  ? -1.974  -2.554  -4.609 1.00 23.04 ?  5  THR A CG2  8  
ATOM   1651 H H    . THR A 1 5  ? -0.922  -3.166  -0.785 1.00 60.31 ?  5  THR A H    8  
ATOM   1652 H HA   . THR A 1 5  ? -3.081  -2.166  -2.335 1.00 24.12 ?  5  THR A HA   8  
ATOM   1653 H HB   . THR A 1 5  ? -1.160  -4.158  -3.469 1.00 23.31 ?  5  THR A HB   8  
ATOM   1654 H HG1  . THR A 1 5  ? 0.402   -2.456  -3.597 1.00 50.44 ?  5  THR A HG1  8  
ATOM   1655 H HG21 . THR A 1 5  ? -2.427  -3.346  -5.187 1.00 45.03 ?  5  THR A HG21 8  
ATOM   1656 H HG22 . THR A 1 5  ? -2.715  -1.800  -4.390 1.00 42.20 ?  5  THR A HG22 8  
ATOM   1657 H HG23 . THR A 1 5  ? -1.166  -2.113  -5.173 1.00 23.13 ?  5  THR A HG23 8  
ATOM   1658 N N    . ASP A 1 6  ? -3.073  -5.342  -1.603 1.00 3.10  ?  6  ASP A N    8  
ATOM   1659 C CA   . ASP A 1 6  ? -3.867  -6.565  -1.631 1.00 50.31 ?  6  ASP A CA   8  
ATOM   1660 C C    . ASP A 1 6  ? -5.154  -6.395  -0.829 1.00 20.41 ?  6  ASP A C    8  
ATOM   1661 O O    . ASP A 1 6  ? -5.224  -5.616  0.121  1.00 44.31 ?  6  ASP A O    8  
ATOM   1662 C CB   . ASP A 1 6  ? -3.057  -7.737  -1.076 1.00 73.24 ?  6  ASP A CB   8  
ATOM   1663 C CG   . ASP A 1 6  ? -1.787  -7.989  -1.865 1.00 24.01 ?  6  ASP A CG   8  
ATOM   1664 O OD1  . ASP A 1 6  ? -0.859  -7.159  -1.776 1.00 3.32  ?  6  ASP A OD1  8  
ATOM   1665 O OD2  . ASP A 1 6  ? -1.723  -9.016  -2.573 1.00 15.43 -1 6  ASP A OD2  8  
ATOM   1666 H H    . ASP A 1 6  ? -2.270  -5.305  -1.042 1.00 22.03 ?  6  ASP A H    8  
ATOM   1667 H HA   . ASP A 1 6  ? -4.123  -6.771  -2.659 1.00 52.23 ?  6  ASP A HA   8  
ATOM   1668 H HB2  . ASP A 1 6  ? -2.785  -7.526  -0.052 1.00 62.22 ?  6  ASP A HB2  8  
ATOM   1669 H HB3  . ASP A 1 6  ? -3.662  -8.631  -1.106 1.00 75.25 ?  6  ASP A HB3  8  
ATOM   1670 N N    . PRO A 1 7  ? -6.199  -7.140  -1.222 1.00 4.05  ?  7  PRO A N    8  
ATOM   1671 C CA   . PRO A 1 7  ? -7.502  -7.089  -0.554 1.00 44.51 ?  7  PRO A CA   8  
ATOM   1672 C C    . PRO A 1 7  ? -7.464  -7.704  0.841  1.00 2.22  ?  7  PRO A C    8  
ATOM   1673 O O    . PRO A 1 7  ? -7.994  -7.134  1.795  1.00 33.15 ?  7  PRO A O    8  
ATOM   1674 C CB   . PRO A 1 7  ? -8.405  -7.914  -1.476 1.00 22.34 ?  7  PRO A CB   8  
ATOM   1675 C CG   . PRO A 1 7  ? -7.479  -8.841  -2.183 1.00 41.54 ?  7  PRO A CG   8  
ATOM   1676 C CD   . PRO A 1 7  ? -6.186  -8.090  -2.347 1.00 33.00 ?  7  PRO A CD   8  
ATOM   1677 H HA   . PRO A 1 7  ? -7.877  -6.078  -0.491 1.00 64.43 ?  7  PRO A HA   8  
ATOM   1678 H HB2  . PRO A 1 7  ? -9.131  -8.454  -0.884 1.00 50.11 ?  7  PRO A HB2  8  
ATOM   1679 H HB3  . PRO A 1 7  ? -8.912  -7.259  -2.168 1.00 12.35 ?  7  PRO A HB3  8  
ATOM   1680 H HG2  . PRO A 1 7  ? -7.323  -9.729  -1.589 1.00 2.22  ?  7  PRO A HG2  8  
ATOM   1681 H HG3  . PRO A 1 7  ? -7.886  -9.100  -3.149 1.00 75.12 ?  7  PRO A HG3  8  
ATOM   1682 H HD2  . PRO A 1 7  ? -5.346  -8.764  -2.274 1.00 2.45  ?  7  PRO A HD2  8  
ATOM   1683 H HD3  . PRO A 1 7  ? -6.171  -7.566  -3.292 1.00 65.12 ?  7  PRO A HD3  8  
ATOM   1684 N N    . ARG A 1 8  ? -6.832  -8.868  0.953  1.00 31.05 ?  8  ARG A N    8  
ATOM   1685 C CA   . ARG A 1 8  ? -6.725  -9.559  2.232  1.00 53.43 ?  8  ARG A CA   8  
ATOM   1686 C C    . ARG A 1 8  ? -6.049  -8.672  3.274  1.00 65.42 ?  8  ARG A C    8  
ATOM   1687 O O    . ARG A 1 8  ? -6.399  -8.705  4.454  1.00 24.44 ?  8  ARG A O    8  
ATOM   1688 C CB   . ARG A 1 8  ? -5.940  -10.861 2.068  1.00 63.11 ?  8  ARG A CB   8  
ATOM   1689 C CG   . ARG A 1 8  ? -6.710  -11.949 1.339  1.00 71.54 ?  8  ARG A CG   8  
ATOM   1690 C CD   . ARG A 1 8  ? -7.869  -12.469 2.176  1.00 24.33 ?  8  ARG A CD   8  
ATOM   1691 N NE   . ARG A 1 8  ? -7.409  -13.140 3.389  1.00 70.34 ?  8  ARG A NE   8  
ATOM   1692 C CZ   . ARG A 1 8  ? -8.221  -13.760 4.238  1.00 35.53 ?  8  ARG A CZ   8  
ATOM   1693 N NH1  . ARG A 1 8  ? -9.527  -13.794 4.006  1.00 63.04 1  8  ARG A NH1  8  
ATOM   1694 N NH2  . ARG A 1 8  ? -7.728  -14.347 5.321  1.00 10.15 ?  8  ARG A NH2  8  
ATOM   1695 H H    . ARG A 1 8  ? -6.430  -9.272  0.156  1.00 64.21 ?  8  ARG A H    8  
ATOM   1696 H HA   . ARG A 1 8  ? -7.724  -9.791  2.568  1.00 73.52 ?  8  ARG A HA   8  
ATOM   1697 H HB2  . ARG A 1 8  ? -5.037  -10.656 1.513  1.00 61.45 ?  8  ARG A HB2  8  
ATOM   1698 H HB3  . ARG A 1 8  ? -5.674  -11.232 3.047  1.00 40.11 ?  8  ARG A HB3  8  
ATOM   1699 H HG2  . ARG A 1 8  ? -7.100  -11.545 0.416  1.00 53.32 ?  8  ARG A HG2  8  
ATOM   1700 H HG3  . ARG A 1 8  ? -6.039  -12.767 1.119  1.00 30.32 ?  8  ARG A HG3  8  
ATOM   1701 H HD2  . ARG A 1 8  ? -8.497  -11.635 2.452  1.00 53.54 ?  8  ARG A HD2  8  
ATOM   1702 H HD3  . ARG A 1 8  ? -8.438  -13.168 1.582  1.00 33.33 ?  8  ARG A HD3  8  
ATOM   1703 H HE   . ARG A 1 8  ? -6.448  -13.126 3.579  1.00 23.04 ?  8  ARG A HE   8  
ATOM   1704 H HH11 . ARG A 1 8  ? -9.900  -13.354 3.191  1.00 14.24 ?  8  ARG A HH11 8  
ATOM   1705 H HH12 . ARG A 1 8  ? -10.135 -14.263 4.647  1.00 53.33 ?  8  ARG A HH12 8  
ATOM   1706 H HH21 . ARG A 1 8  ? -6.745  -14.323 5.498  1.00 72.15 ?  8  ARG A HH21 8  
ATOM   1707 H HH22 . ARG A 1 8  ? -8.339  -14.813 5.959  1.00 51.31 ?  8  ARG A HH22 8  
ATOM   1708 N N    . CYS A 1 9  ? -5.078  -7.881  2.830  1.00 23.53 ?  9  CYS A N    8  
ATOM   1709 C CA   . CYS A 1 9  ? -4.351  -6.987  3.723  1.00 21.11 ?  9  CYS A CA   8  
ATOM   1710 C C    . CYS A 1 9  ? -5.068  -5.645  3.850  1.00 22.01 ?  9  CYS A C    8  
ATOM   1711 O O    . CYS A 1 9  ? -5.022  -5.002  4.899  1.00 24.12 ?  9  CYS A O    8  
ATOM   1712 C CB   . CYS A 1 9  ? -2.926  -6.769  3.212  1.00 13.23 ?  9  CYS A CB   8  
ATOM   1713 S SG   . CYS A 1 9  ? -1.644  -7.601  4.204  1.00 54.11 ?  9  CYS A SG   8  
ATOM   1714 H H    . CYS A 1 9  ? -4.844  -7.900  1.877  1.00 40.33 ?  9  CYS A H    8  
ATOM   1715 H HA   . CYS A 1 9  ? -4.308  -7.451  4.695  1.00 20.44 ?  9  CYS A HA   8  
ATOM   1716 H HB2  . CYS A 1 9  ? -2.853  -7.145  2.201  1.00 24.41 ?  9  CYS A HB2  8  
ATOM   1717 H HB3  . CYS A 1 9  ? -2.709  -5.711  3.213  1.00 71.44 ?  9  CYS A HB3  8  
ATOM   1718 N N    . ARG A 1 10 ? -5.729  -5.230  2.775  1.00 3.34  ?  10 ARG A N    8  
ATOM   1719 C CA   . ARG A 1 10 ? -6.455  -3.965  2.765  1.00 22.50 ?  10 ARG A CA   8  
ATOM   1720 C C    . ARG A 1 10 ? -7.389  -3.865  3.967  1.00 41.43 ?  10 ARG A C    8  
ATOM   1721 O O    . ARG A 1 10 ? -7.623  -2.779  4.497  1.00 53.40 ?  10 ARG A O    8  
ATOM   1722 C CB   . ARG A 1 10 ? -7.256  -3.822  1.470  1.00 31.33 ?  10 ARG A CB   8  
ATOM   1723 C CG   . ARG A 1 10 ? -8.204  -2.633  1.468  1.00 21.23 ?  10 ARG A CG   8  
ATOM   1724 C CD   . ARG A 1 10 ? -8.712  -2.329  0.068  1.00 41.14 ?  10 ARG A CD   8  
ATOM   1725 N NE   . ARG A 1 10 ? -9.422  -1.054  0.009  1.00 43.11 ?  10 ARG A NE   8  
ATOM   1726 C CZ   . ARG A 1 10 ? -10.674 -0.890  0.420  1.00 63.03 ?  10 ARG A CZ   8  
ATOM   1727 N NH1  . ARG A 1 10 ? -11.350 -1.915  0.920  1.00 13.21 1  10 ARG A NH1  8  
ATOM   1728 N NH2  . ARG A 1 10 ? -11.251 0.301   0.334  1.00 73.00 ?  10 ARG A NH2  8  
ATOM   1729 H H    . ARG A 1 10 ? -5.729  -5.787  1.969  1.00 4.50  ?  10 ARG A H    8  
ATOM   1730 H HA   . ARG A 1 10 ? -5.731  -3.167  2.820  1.00 22.35 ?  10 ARG A HA   8  
ATOM   1731 H HB2  . ARG A 1 10 ? -6.568  -3.707  0.646  1.00 62.12 ?  10 ARG A HB2  8  
ATOM   1732 H HB3  . ARG A 1 10 ? -7.839  -4.719  1.320  1.00 64.12 ?  10 ARG A HB3  8  
ATOM   1733 H HG2  . ARG A 1 10 ? -9.047  -2.856  2.105  1.00 70.13 ?  10 ARG A HG2  8  
ATOM   1734 H HG3  . ARG A 1 10 ? -7.681  -1.768  1.848  1.00 3.04  ?  10 ARG A HG3  8  
ATOM   1735 H HD2  . ARG A 1 10 ? -7.870  -2.292  -0.606 1.00 75.31 ?  10 ARG A HD2  8  
ATOM   1736 H HD3  . ARG A 1 10 ? -9.382  -3.118  -0.237 1.00 15.42 ?  10 ARG A HD3  8  
ATOM   1737 H HE   . ARG A 1 10 ? -8.940  -0.283  -0.356 1.00 22.23 ?  10 ARG A HE   8  
ATOM   1738 H HH11 . ARG A 1 10 ? -10.917 -2.814  0.986  1.00 73.23 ?  10 ARG A HH11 8  
ATOM   1739 H HH12 . ARG A 1 10 ? -12.293 -1.789  1.230  1.00 55.15 ?  10 ARG A HH12 8  
ATOM   1740 H HH21 . ARG A 1 10 ? -10.745 1.077   -0.041 1.00 54.34 ?  10 ARG A HH21 8  
ATOM   1741 H HH22 . ARG A 1 10 ? -12.194 0.424   0.644  1.00 52.33 ?  10 ARG A HH22 8  
HETATM 1742 N N    . IYR A 1 11 ? -7.921  -5.006  4.393  1.00 4.14  ?  11 IYR A N    8  
HETATM 1743 C CA   . IYR A 1 11 ? -8.833  -5.048  5.535  1.00 0.21  ?  11 IYR A CA   8  
HETATM 1744 C CB   . IYR A 1 11 ? -9.185  -6.517  5.939  1.00 41.10 ?  11 IYR A CB   8  
HETATM 1745 C CC   . IYR A 1 11 ? -10.444 -7.027  5.272  1.00 75.23 ?  11 IYR A CC   8  
HETATM 1746 C CD   . IYR A 1 11 ? -10.566 -7.008  3.877  1.00 61.33 ?  11 IYR A CD   8  
HETATM 1747 C CE   . IYR A 1 11 ? -11.718 -7.486  3.255  1.00 42.44 ?  11 IYR A CE   8  
HETATM 1748 I IE   . IYR A 1 11 ? -11.853 -7.437  1.102  1.00 44.41 ?  11 IYR A IE   8  
HETATM 1749 C CF   . IYR A 1 11 ? -12.785 -8.004  4.003  1.00 74.31 ?  11 IYR A CF   8  
HETATM 1750 O OF   . IYR A 1 11 ? -13.964 -8.495  3.486  1.00 52.10 ?  11 IYR A OF   8  
HETATM 1751 C CG   . IYR A 1 11 ? -12.656 -8.020  5.402  1.00 73.43 ?  11 IYR A CG   8  
HETATM 1752 C CH   . IYR A 1 11 ? -11.511 -7.544  6.024  1.00 10.04 ?  11 IYR A CH   8  
HETATM 1753 C C    . IYR A 1 11 ? -8.074  -4.398  6.709  1.00 25.12 ?  11 IYR A C    8  
HETATM 1754 O O    . IYR A 1 11 ? -8.597  -3.510  7.382  1.00 74.52 ?  11 IYR A O    8  
HETATM 1755 H H    . IYR A 1 11 ? -7.697  -5.841  3.930  1.00 14.32 ?  11 IYR A H    8  
HETATM 1756 H HA   . IYR A 1 11 ? -9.741  -4.499  5.275  1.00 72.33 ?  11 IYR A HA   8  
HETATM 1757 H HB2  . IYR A 1 11 ? -8.330  -7.144  5.664  1.00 11.51 ?  11 IYR A HB2  8  
HETATM 1758 H HB3  . IYR A 1 11 ? -9.292  -6.555  7.029  1.00 60.32 ?  11 IYR A HB3  8  
HETATM 1759 H HD   . IYR A 1 11 ? -9.761  -6.606  3.274  1.00 22.10 ?  11 IYR A HD   8  
HETATM 1760 H HF   . IYR A 1 11 ? -14.211 -8.023  2.643  1.00 73.54 ?  11 IYR A HF   8  
HETATM 1761 H HG   . IYR A 1 11 ? -13.485 -8.416  5.974  1.00 11.24 ?  11 IYR A HG   8  
HETATM 1762 H HH   . IYR A 1 11 ? -11.440 -7.570  7.106  1.00 13.23 ?  11 IYR A HH   8  
ATOM   1763 N N    . GLN A 1 12 ? -6.847  -4.853  6.937  1.00 64.22 ?  12 GLN A N    8  
ATOM   1764 C CA   . GLN A 1 12 ? -6.025  -4.322  8.018  1.00 44.33 ?  12 GLN A CA   8  
ATOM   1765 C C    . GLN A 1 12 ? -5.516  -2.924  7.679  1.00 33.45 ?  12 GLN A C    8  
ATOM   1766 O O    . GLN A 1 12 ? -5.432  -2.055  8.547  1.00 13.21 ?  12 GLN A O    8  
ATOM   1767 C CB   . GLN A 1 12 ? -4.844  -5.254  8.296  1.00 31.21 ?  12 GLN A CB   8  
ATOM   1768 C CG   . GLN A 1 12 ? -5.170  -6.375  9.269  1.00 72.54 ?  12 GLN A CG   8  
ATOM   1769 C CD   . GLN A 1 12 ? -4.368  -7.634  9.000  1.00 2.41  ?  12 GLN A CD   8  
ATOM   1770 O OE1  . GLN A 1 12 ? -3.146  -7.587  8.862  1.00 4.14  ?  12 GLN A OE1  8  
ATOM   1771 N NE2  . GLN A 1 12 ? -5.055  -8.768  8.923  1.00 42.44 ?  12 GLN A NE2  8  
ATOM   1772 H H    . GLN A 1 12 ? -6.485  -5.562  6.367  1.00 63.03 ?  12 GLN A H    8  
ATOM   1773 H HA   . GLN A 1 12 ? -6.640  -4.262  8.904  1.00 74.14 ?  12 GLN A HA   8  
ATOM   1774 H HB2  . GLN A 1 12 ? -4.524  -5.697  7.365  1.00 65.51 ?  12 GLN A HB2  8  
ATOM   1775 H HB3  . GLN A 1 12 ? -4.031  -4.674  8.708  1.00 55.52 ?  12 GLN A HB3  8  
ATOM   1776 H HG2  . GLN A 1 12 ? -4.953  -6.038  10.272 1.00 33.31 ?  12 GLN A HG2  8  
ATOM   1777 H HG3  . GLN A 1 12 ? -6.220  -6.610  9.189  1.00 2.55  ?  12 GLN A HG3  8  
ATOM   1778 H HE21 . GLN A 1 12 ? -6.028  -8.729  9.042  1.00 20.44 ?  12 GLN A HE21 8  
ATOM   1779 H HE22 . GLN A 1 12 ? -4.563  -9.596  8.749  1.00 41.34 ?  12 GLN A HE22 8  
ATOM   1780 N N    . CYS A 1 13 ? -5.176  -2.716  6.412  1.00 25.25 ?  13 CYS A N    8  
ATOM   1781 C CA   . CYS A 1 13 ? -4.674  -1.425  5.957  1.00 24.34 ?  13 CYS A CA   8  
ATOM   1782 C C    . CYS A 1 13 ? -5.690  -0.319  6.229  1.00 61.23 ?  13 CYS A C    8  
ATOM   1783 O O    . CYS A 1 13 ? -5.323  0.815   6.532  1.00 1.13  ?  13 CYS A O    8  
ATOM   1784 C CB   . CYS A 1 13 ? -4.349  -1.479  4.462  1.00 11.44 ?  13 CYS A CB   8  
ATOM   1785 S SG   . CYS A 1 13 ? -3.331  -0.088  3.873  1.00 70.22 ?  13 CYS A SG   8  
ATOM   1786 H H    . CYS A 1 13 ? -5.265  -3.448  5.765  1.00 70.11 ?  13 CYS A H    8  
ATOM   1787 H HA   . CYS A 1 13 ? -3.770  -1.208  6.505  1.00 71.43 ?  13 CYS A HA   8  
ATOM   1788 H HB2  . CYS A 1 13 ? -3.812  -2.392  4.251  1.00 64.53 ?  13 CYS A HB2  8  
ATOM   1789 H HB3  . CYS A 1 13 ? -5.273  -1.472  3.901  1.00 23.34 ?  13 CYS A HB3  8  
ATOM   1790 N N    . TYR A 1 14 ? -6.970  -0.660  6.117  1.00 22.23 ?  14 TYR A N    8  
ATOM   1791 C CA   . TYR A 1 14 ? -8.039  0.303   6.347  1.00 41.03 ?  14 TYR A CA   8  
ATOM   1792 C C    . TYR A 1 14 ? -8.614  0.152   7.753  1.00 41.31 ?  14 TYR A C    8  
ATOM   1793 O O    . TYR A 1 14 ? -8.504  -0.907  8.371  1.00 14.42 ?  14 TYR A O    8  
ATOM   1794 C CB   . TYR A 1 14 ? -9.148  0.125   5.310  1.00 50.31 ?  14 TYR A CB   8  
ATOM   1795 C CG   . TYR A 1 14 ? -8.882  0.848   4.008  1.00 32.42 ?  14 TYR A CG   8  
ATOM   1796 C CD1  . TYR A 1 14 ? -7.796  0.508   3.212  1.00 72.15 ?  14 TYR A CD1  8  
ATOM   1797 C CD2  . TYR A 1 14 ? -9.716  1.871   3.576  1.00 25.42 ?  14 TYR A CD2  8  
ATOM   1798 C CE1  . TYR A 1 14 ? -7.547  1.166   2.023  1.00 24.03 ?  14 TYR A CE1  8  
ATOM   1799 C CE2  . TYR A 1 14 ? -9.477  2.534   2.388  1.00 41.21 ?  14 TYR A CE2  8  
ATOM   1800 C CZ   . TYR A 1 14 ? -8.391  2.179   1.615  1.00 60.41 ?  14 TYR A CZ   8  
ATOM   1801 O OH   . TYR A 1 14 ? -8.149  2.837   0.432  1.00 51.03 ?  14 TYR A OH   8  
ATOM   1802 H H    . TYR A 1 14 ? -7.201  -1.580  5.871  1.00 44.30 ?  14 TYR A H    8  
ATOM   1803 H HA   . TYR A 1 14 ? -7.622  1.294   6.247  1.00 0.44  ?  14 TYR A HA   8  
ATOM   1804 H HB2  . TYR A 1 14 ? -9.259  -0.925  5.087  1.00 42.13 ?  14 TYR A HB2  8  
ATOM   1805 H HB3  . TYR A 1 14 ? -10.076 0.501   5.715  1.00 64.40 ?  14 TYR A HB3  8  
ATOM   1806 H HD1  . TYR A 1 14 ? -7.136  -0.285  3.535  1.00 1.23  ?  14 TYR A HD1  8  
ATOM   1807 H HD2  . TYR A 1 14 ? -10.565 2.148   4.184  1.00 52.34 ?  14 TYR A HD2  8  
ATOM   1808 H HE1  . TYR A 1 14 ? -6.697  0.887   1.417  1.00 35.44 ?  14 TYR A HE1  8  
ATOM   1809 H HE2  . TYR A 1 14 ? -10.137 3.327   2.069  1.00 11.21 ?  14 TYR A HE2  8  
ATOM   1810 H HH   . TYR A 1 14 ? -7.485  3.517   0.574  1.00 34.25 ?  14 TYR A HH   8  
ATOM   1811 N N    . LYS A 1 15 ? -9.229  1.220   8.252  1.00 31.30 ?  15 LYS A N    8  
ATOM   1812 C CA   . LYS A 1 15 ? -9.824  1.209   9.583  1.00 33.13 ?  15 LYS A CA   8  
ATOM   1813 C C    . LYS A 1 15 ? -11.346 1.219   9.498  1.00 75.54 ?  15 LYS A C    8  
ATOM   1814 O O    . LYS A 1 15 ? -11.922 1.793   8.574  1.00 12.22 ?  15 LYS A O    8  
ATOM   1815 C CB   . LYS A 1 15 ? -9.339  2.414   10.390 1.00 23.42 ?  15 LYS A CB   8  
ATOM   1816 C CG   . LYS A 1 15 ? -9.454  3.733   9.645  1.00 42.22 ?  15 LYS A CG   8  
ATOM   1817 C CD   . LYS A 1 15 ? -8.174  4.063   8.895  1.00 3.15  ?  15 LYS A CD   8  
ATOM   1818 C CE   . LYS A 1 15 ? -8.458  4.867   7.636  1.00 5.10  ?  15 LYS A CE   8  
ATOM   1819 N NZ   . LYS A 1 15 ? -7.265  4.944   6.747  1.00 24.11 1  15 LYS A NZ   8  
ATOM   1820 H H    . LYS A 1 15 ? -9.284  2.036   7.711  1.00 14.13 ?  15 LYS A H    8  
ATOM   1821 H HA   . LYS A 1 15 ? -9.509  0.304   10.079 1.00 62.33 ?  15 LYS A HA   8  
ATOM   1822 H HB2  . LYS A 1 15 ? -9.923  2.484   11.296 1.00 40.30 ?  15 LYS A HB2  8  
ATOM   1823 H HB3  . LYS A 1 15 ? -8.301  2.263   10.653 1.00 33.21 ?  15 LYS A HB3  8  
ATOM   1824 H HG2  . LYS A 1 15 ? -10.266 3.665   8.936  1.00 44.53 ?  15 LYS A HG2  8  
ATOM   1825 H HG3  . LYS A 1 15 ? -9.659  4.521   10.355 1.00 11.25 ?  15 LYS A HG3  8  
ATOM   1826 H HD2  . LYS A 1 15 ? -7.529  4.641   9.540  1.00 72.23 ?  15 LYS A HD2  8  
ATOM   1827 H HD3  . LYS A 1 15 ? -7.680  3.141   8.621  1.00 53.42 ?  15 LYS A HD3  8  
ATOM   1828 H HE2  . LYS A 1 15 ? -9.267  4.396   7.099  1.00 34.30 ?  15 LYS A HE2  8  
ATOM   1829 H HE3  . LYS A 1 15 ? -8.748  5.867   7.921  1.00 22.05 ?  15 LYS A HE3  8  
ATOM   1830 H HZ1  . LYS A 1 15 ? -6.613  4.161   6.956  1.00 60.33 ?  15 LYS A HZ1  8  
ATOM   1831 H HZ2  . LYS A 1 15 ? -7.557  4.882   5.750  1.00 62.45 ?  15 LYS A HZ2  8  
ATOM   1832 H HZ3  . LYS A 1 15 ? -6.766  5.844   6.895  1.00 41.22 ?  15 LYS A HZ3  8  
HETATM 1833 N N    . PCA A 1 1  ? 3.644   -0.598  1.645  1.00 11.13 ?  1  PCA A N    9  
HETATM 1834 C CA   . PCA A 1 1  ? 3.119   -0.623  0.253  1.00 24.44 ?  1  PCA A CA   9  
HETATM 1835 C CB   . PCA A 1 1  ? 3.986   0.398   -0.490 1.00 44.42 ?  1  PCA A CB   9  
HETATM 1836 C CG   . PCA A 1 1  ? 5.301   0.426   0.299  1.00 33.24 ?  1  PCA A CG   9  
HETATM 1837 C CD   . PCA A 1 1  ? 4.905   0.045   1.713  1.00 11.24 ?  1  PCA A CD   9  
HETATM 1838 O OE   . PCA A 1 1  ? 5.543   0.233   2.730  1.00 22.43 ?  1  PCA A OE   9  
HETATM 1839 C C    . PCA A 1 1  ? 3.232   -2.036  -0.371 1.00 35.00 ?  1  PCA A C    9  
HETATM 1840 O O    . PCA A 1 1  ? 4.073   -2.839  0.032  1.00 53.44 ?  1  PCA A O    9  
HETATM 1841 H HA   . PCA A 1 1  ? 2.066   -0.335  0.280  1.00 63.24 ?  1  PCA A HA   9  
HETATM 1842 H HB2  . PCA A 1 1  ? 4.120   0.110   -1.535 1.00 51.22 ?  1  PCA A HB2  9  
HETATM 1843 H HB3  . PCA A 1 1  ? 3.498   1.373   -0.451 1.00 62.35 ?  1  PCA A HB3  9  
HETATM 1844 H HG2  . PCA A 1 1  ? 6.008   -0.327  -0.067 1.00 32.34 ?  1  PCA A HG2  9  
HETATM 1845 H HG3  . PCA A 1 1  ? 5.813   1.393   0.304  1.00 1.32  ?  1  PCA A HG3  9  
ATOM   1846 N N    . GLY A 1 2  ? 2.378   -2.316  -1.351 1.00 41.40 ?  2  GLY A N    9  
ATOM   1847 C CA   . GLY A 1 2  ? 2.398   -3.611  -2.005 1.00 31.12 ?  2  GLY A CA   9  
ATOM   1848 C C    . GLY A 1 2  ? 1.345   -4.553  -1.456 1.00 64.33 ?  2  GLY A C    9  
ATOM   1849 O O    . GLY A 1 2  ? 0.730   -5.313  -2.204 1.00 60.30 ?  2  GLY A O    9  
ATOM   1850 H H    . GLY A 1 2  ? 1.729   -1.636  -1.632 1.00 2.33  ?  2  GLY A H    9  
ATOM   1851 H HA2  . GLY A 1 2  ? 2.225   -3.471  -3.062 1.00 1.55  ?  2  GLY A HA2  9  
ATOM   1852 H HA3  . GLY A 1 2  ? 3.371   -4.057  -1.867 1.00 61.12 ?  2  GLY A HA3  9  
ATOM   1853 N N    . CYS A 1 3  ? 1.139   -4.507  -0.144 1.00 5.34  ?  3  CYS A N    9  
ATOM   1854 C CA   . CYS A 1 3  ? 0.156   -5.366  0.506  1.00 74.31 ?  3  CYS A CA   9  
ATOM   1855 C C    . CYS A 1 3  ? -1.205  -4.679  0.573  1.00 50.31 ?  3  CYS A C    9  
ATOM   1856 O O    . CYS A 1 3  ? -2.246  -5.325  0.442  1.00 54.34 ?  3  CYS A O    9  
ATOM   1857 C CB   . CYS A 1 3  ? 0.623   -5.735  1.916  1.00 62.42 ?  3  CYS A CB   9  
ATOM   1858 S SG   . CYS A 1 3  ? 0.174   -7.423  2.429  1.00 34.43 ?  3  CYS A SG   9  
ATOM   1859 H H    . CYS A 1 3  ? 1.661   -3.881  0.401  1.00 52.12 ?  3  CYS A H    9  
ATOM   1860 H HA   . CYS A 1 3  ? 0.062   -6.266  -0.080 1.00 31.55 ?  3  CYS A HA   9  
ATOM   1861 H HB2  . CYS A 1 3  ? 1.699   -5.653  1.963  1.00 65.14 ?  3  CYS A HB2  9  
ATOM   1862 H HB3  . CYS A 1 3  ? 0.184   -5.047  2.623  1.00 35.30 ?  3  CYS A HB3  9  
ATOM   1863 N N    . CYS A 1 4  ? -1.190  -3.366  0.778  1.00 4.35  ?  4  CYS A N    9  
ATOM   1864 C CA   . CYS A 1 4  ? -2.422  -2.590  0.863  1.00 71.11 ?  4  CYS A CA   9  
ATOM   1865 C C    . CYS A 1 4  ? -3.307  -2.841  -0.355 1.00 22.25 ?  4  CYS A C    9  
ATOM   1866 O O    . CYS A 1 4  ? -4.534  -2.775  -0.270 1.00 50.41 ?  4  CYS A O    9  
ATOM   1867 C CB   . CYS A 1 4  ? -2.103  -1.098  0.977  1.00 32.54 ?  4  CYS A CB   9  
ATOM   1868 S SG   . CYS A 1 4  ? -2.086  -0.471  2.687  1.00 53.23 ?  4  CYS A SG   9  
ATOM   1869 H H    . CYS A 1 4  ? -0.328  -2.907  0.874  1.00 63.22 ?  4  CYS A H    9  
ATOM   1870 H HA   . CYS A 1 4  ? -2.952  -2.905  1.749  1.00 41.04 ?  4  CYS A HA   9  
ATOM   1871 H HB2  . CYS A 1 4  ? -1.127  -0.913  0.551  1.00 64.22 ?  4  CYS A HB2  9  
ATOM   1872 H HB3  . CYS A 1 4  ? -2.843  -0.536  0.427  1.00 55.24 ?  4  CYS A HB3  9  
ATOM   1873 N N    . THR A 1 5  ? -2.676  -3.128  -1.489 1.00 33.14 ?  5  THR A N    9  
ATOM   1874 C CA   . THR A 1 5  ? -3.405  -3.387  -2.724 1.00 53.20 ?  5  THR A CA   9  
ATOM   1875 C C    . THR A 1 5  ? -4.160  -4.710  -2.651 1.00 2.14  ?  5  THR A C    9  
ATOM   1876 O O    . THR A 1 5  ? -5.216  -4.867  -3.264 1.00 45.33 ?  5  THR A O    9  
ATOM   1877 C CB   . THR A 1 5  ? -2.458  -3.417  -3.939 1.00 34.35 ?  5  THR A CB   9  
ATOM   1878 O OG1  . THR A 1 5  ? -3.219  -3.453  -5.153 1.00 72.22 ?  5  THR A OG1  9  
ATOM   1879 C CG2  . THR A 1 5  ? -1.536  -4.625  -3.877 1.00 23.04 ?  5  THR A CG2  9  
ATOM   1880 H H    . THR A 1 5  ? -1.697  -3.165  -1.494 1.00 60.31 ?  5  THR A H    9  
ATOM   1881 H HA   . THR A 1 5  ? -4.115  -2.585  -2.867 1.00 24.12 ?  5  THR A HA   9  
ATOM   1882 H HB   . THR A 1 5  ? -1.855  -2.521  -3.929 1.00 23.31 ?  5  THR A HB   9  
ATOM   1883 H HG1  . THR A 1 5  ? -2.626  -3.573  -5.899 1.00 50.44 ?  5  THR A HG1  9  
ATOM   1884 H HG21 . THR A 1 5  ? -1.935  -5.415  -4.496 1.00 45.03 ?  5  THR A HG21 9  
ATOM   1885 H HG22 . THR A 1 5  ? -0.555  -4.348  -4.235 1.00 42.20 ?  5  THR A HG22 9  
ATOM   1886 H HG23 . THR A 1 5  ? -1.462  -4.970  -2.857 1.00 23.13 ?  5  THR A HG23 9  
ATOM   1887 N N    . ASP A 1 6  ? -3.613  -5.656  -1.896 1.00 3.10  ?  6  ASP A N    9  
ATOM   1888 C CA   . ASP A 1 6  ? -4.237  -6.965  -1.740 1.00 50.31 ?  6  ASP A CA   9  
ATOM   1889 C C    . ASP A 1 6  ? -5.446  -6.884  -0.812 1.00 20.41 ?  6  ASP A C    9  
ATOM   1890 O O    . ASP A 1 6  ? -5.519  -6.038  0.080  1.00 44.31 ?  6  ASP A O    9  
ATOM   1891 C CB   . ASP A 1 6  ? -3.226  -7.973  -1.194 1.00 73.24 ?  6  ASP A CB   9  
ATOM   1892 C CG   . ASP A 1 6  ? -2.203  -8.389  -2.232 1.00 24.01 ?  6  ASP A CG   9  
ATOM   1893 O OD1  . ASP A 1 6  ? -1.220  -7.644  -2.429 1.00 3.32  ?  6  ASP A OD1  9  
ATOM   1894 O OD2  . ASP A 1 6  ? -2.386  -9.459  -2.849 1.00 15.43 -1 6  ASP A OD2  9  
ATOM   1895 H H    . ASP A 1 6  ? -2.771  -5.470  -1.431 1.00 22.03 ?  6  ASP A H    9  
ATOM   1896 H HA   . ASP A 1 6  ? -4.568  -7.293  -2.714 1.00 52.23 ?  6  ASP A HA   9  
ATOM   1897 H HB2  . ASP A 1 6  ? -2.703  -7.532  -0.357 1.00 62.22 ?  6  ASP A HB2  9  
ATOM   1898 H HB3  . ASP A 1 6  ? -3.752  -8.855  -0.859 1.00 75.25 ?  6  ASP A HB3  9  
ATOM   1899 N N    . PRO A 1 7  ? -6.418  -7.782  -1.027 1.00 4.05  ?  7  PRO A N    9  
ATOM   1900 C CA   . PRO A 1 7  ? -7.641  -7.833  -0.220 1.00 44.51 ?  7  PRO A CA   9  
ATOM   1901 C C    . PRO A 1 7  ? -7.378  -8.311  1.204  1.00 2.22  ?  7  PRO A C    9  
ATOM   1902 O O    . PRO A 1 7  ? -7.876  -7.729  2.167  1.00 33.15 ?  7  PRO A O    9  
ATOM   1903 C CB   . PRO A 1 7  ? -8.518  -8.840  -0.969 1.00 22.34 ?  7  PRO A CB   9  
ATOM   1904 C CG   . PRO A 1 7  ? -7.556  -9.706  -1.706 1.00 41.54 ?  7  PRO A CG   9  
ATOM   1905 C CD   . PRO A 1 7  ? -6.397  -8.820  -2.072 1.00 33.00 ?  7  PRO A CD   9  
ATOM   1906 H HA   . PRO A 1 7  ? -8.137  -6.874  -0.191 1.00 64.43 ?  7  PRO A HA   9  
ATOM   1907 H HB2  . PRO A 1 7  ? -9.102  -9.411  -0.259 1.00 50.11 ?  7  PRO A HB2  9  
ATOM   1908 H HB3  . PRO A 1 7  ? -9.176  -8.316  -1.646 1.00 12.35 ?  7  PRO A HB3  9  
ATOM   1909 H HG2  . PRO A 1 7  ? -7.225  -10.512 -1.070 1.00 2.22  ?  7  PRO A HG2  9  
ATOM   1910 H HG3  . PRO A 1 7  ? -8.023  -10.097 -2.597 1.00 75.12 ?  7  PRO A HG3  9  
ATOM   1911 H HD2  . PRO A 1 7  ? -5.473  -9.377  -2.045 1.00 2.45  ?  7  PRO A HD2  9  
ATOM   1912 H HD3  . PRO A 1 7  ? -6.549  -8.384  -3.049 1.00 65.12 ?  7  PRO A HD3  9  
ATOM   1913 N N    . ARG A 1 8  ? -6.592  -9.376  1.329  1.00 31.05 ?  8  ARG A N    9  
ATOM   1914 C CA   . ARG A 1 8  ? -6.263  -9.933  2.636  1.00 53.43 ?  8  ARG A CA   9  
ATOM   1915 C C    . ARG A 1 8  ? -5.600  -8.883  3.524  1.00 65.42 ?  8  ARG A C    9  
ATOM   1916 O O    . ARG A 1 8  ? -5.817  -8.852  4.735  1.00 24.44 ?  8  ARG A O    9  
ATOM   1917 C CB   . ARG A 1 8  ? -5.338  -11.142 2.481  1.00 63.11 ?  8  ARG A CB   9  
ATOM   1918 C CG   . ARG A 1 8  ? -3.983  -10.799 1.883  1.00 71.54 ?  8  ARG A CG   9  
ATOM   1919 C CD   . ARG A 1 8  ? -3.322  -12.022 1.265  1.00 24.33 ?  8  ARG A CD   9  
ATOM   1920 N NE   . ARG A 1 8  ? -1.865  -11.935 1.304  1.00 70.34 ?  8  ARG A NE   9  
ATOM   1921 C CZ   . ARG A 1 8  ? -1.061  -12.780 0.670  1.00 35.53 ?  8  ARG A CZ   9  
ATOM   1922 N NH1  . ARG A 1 8  ? -1.570  -13.770 -0.050 1.00 63.04 1  8  ARG A NH1  9  
ATOM   1923 N NH2  . ARG A 1 8  ? 0.256   -12.636 0.753  1.00 10.15 ?  8  ARG A NH2  9  
ATOM   1924 H H    . ARG A 1 8  ? -6.225  -9.797  0.524  1.00 64.21 ?  8  ARG A H    9  
ATOM   1925 H HA   . ARG A 1 8  ? -7.183  -10.252 3.101  1.00 73.52 ?  8  ARG A HA   9  
ATOM   1926 H HB2  . ARG A 1 8  ? -5.177  -11.584 3.453  1.00 61.45 ?  8  ARG A HB2  9  
ATOM   1927 H HB3  . ARG A 1 8  ? -5.818  -11.866 1.840  1.00 40.11 ?  8  ARG A HB3  9  
ATOM   1928 H HG2  . ARG A 1 8  ? -4.117  -10.051 1.116  1.00 53.32 ?  8  ARG A HG2  9  
ATOM   1929 H HG3  . ARG A 1 8  ? -3.345  -10.411 2.662  1.00 30.32 ?  8  ARG A HG3  9  
ATOM   1930 H HD2  . ARG A 1 8  ? -3.635  -12.899 1.811  1.00 53.54 ?  8  ARG A HD2  9  
ATOM   1931 H HD3  . ARG A 1 8  ? -3.642  -12.106 0.237  1.00 33.33 ?  8  ARG A HD3  9  
ATOM   1932 H HE   . ARG A 1 8  ? -1.468  -11.210 1.830  1.00 23.04 ?  8  ARG A HE   9  
ATOM   1933 H HH11 . ARG A 1 8  ? -2.561  -13.881 -0.116 1.00 14.24 ?  8  ARG A HH11 9  
ATOM   1934 H HH12 . ARG A 1 8  ? -0.962  -14.406 -0.528 1.00 53.33 ?  8  ARG A HH12 9  
ATOM   1935 H HH21 . ARG A 1 8  ? 0.643   -11.890 1.295  1.00 72.15 ?  8  ARG A HH21 9  
ATOM   1936 H HH22 . ARG A 1 8  ? 0.859   -13.272 0.276  1.00 51.31 ?  8  ARG A HH22 9  
ATOM   1937 N N    . CYS A 1 9  ? -4.792  -8.024  2.912  1.00 23.53 ?  9  CYS A N    9  
ATOM   1938 C CA   . CYS A 1 9  ? -4.096  -6.973  3.645  1.00 21.11 ?  9  CYS A CA   9  
ATOM   1939 C C    . CYS A 1 9  ? -4.963  -5.721  3.754  1.00 22.01 ?  9  CYS A C    9  
ATOM   1940 O O    . CYS A 1 9  ? -4.889  -4.986  4.739  1.00 24.12 ?  9  CYS A O    9  
ATOM   1941 C CB   . CYS A 1 9  ? -2.773  -6.632  2.957  1.00 13.23 ?  9  CYS A CB   9  
ATOM   1942 S SG   . CYS A 1 9  ? -1.297  -7.180  3.873  1.00 54.11 ?  9  CYS A SG   9  
ATOM   1943 H H    . CYS A 1 9  ? -4.659  -8.099  1.943  1.00 40.33 ?  9  CYS A H    9  
ATOM   1944 H HA   . CYS A 1 9  ? -3.892  -7.342  4.639  1.00 20.44 ?  9  CYS A HA   9  
ATOM   1945 H HB2  . CYS A 1 9  ? -2.749  -7.104  1.985  1.00 24.41 ?  9  CYS A HB2  9  
ATOM   1946 H HB3  . CYS A 1 9  ? -2.706  -5.562  2.833  1.00 71.44 ?  9  CYS A HB3  9  
ATOM   1947 N N    . ARG A 1 10 ? -5.783  -5.486  2.736  1.00 3.34  ?  10 ARG A N    9  
ATOM   1948 C CA   . ARG A 1 10 ? -6.663  -4.324  2.717  1.00 22.50 ?  10 ARG A CA   9  
ATOM   1949 C C    . ARG A 1 10 ? -7.468  -4.229  4.010  1.00 41.43 ?  10 ARG A C    9  
ATOM   1950 O O    . ARG A 1 10 ? -7.777  -3.136  4.481  1.00 53.40 ?  10 ARG A O    9  
ATOM   1951 C CB   . ARG A 1 10 ? -7.611  -4.395  1.518  1.00 31.33 ?  10 ARG A CB   9  
ATOM   1952 C CG   . ARG A 1 10 ? -8.616  -3.255  1.467  1.00 21.23 ?  10 ARG A CG   9  
ATOM   1953 C CD   . ARG A 1 10 ? -9.336  -3.206  0.129  1.00 41.14 ?  10 ARG A CD   9  
ATOM   1954 N NE   . ARG A 1 10 ? -10.240 -2.063  0.034  1.00 43.11 ?  10 ARG A NE   9  
ATOM   1955 C CZ   . ARG A 1 10 ? -10.789 -1.651  -1.103 1.00 63.03 ?  10 ARG A CZ   9  
ATOM   1956 N NH1  . ARG A 1 10 ? -10.527 -2.287  -2.237 1.00 13.21 1  10 ARG A NH1  9  
ATOM   1957 N NH2  . ARG A 1 10 ? -11.601 -0.603  -1.107 1.00 73.00 ?  10 ARG A NH2  9  
ATOM   1958 H H    . ARG A 1 10 ? -5.797  -6.108  1.979  1.00 4.50  ?  10 ARG A H    9  
ATOM   1959 H HA   . ARG A 1 10 ? -6.047  -3.442  2.625  1.00 22.35 ?  10 ARG A HA   9  
ATOM   1960 H HB2  . ARG A 1 10 ? -7.026  -4.371  0.610  1.00 62.12 ?  10 ARG A HB2  9  
ATOM   1961 H HB3  . ARG A 1 10 ? -8.157  -5.324  1.560  1.00 64.12 ?  10 ARG A HB3  9  
ATOM   1962 H HG2  . ARG A 1 10 ? -9.344  -3.394  2.251  1.00 70.13 ?  10 ARG A HG2  9  
ATOM   1963 H HG3  . ARG A 1 10 ? -8.094  -2.321  1.620  1.00 3.04  ?  10 ARG A HG3  9  
ATOM   1964 H HD2  . ARG A 1 10 ? -8.601  -3.137  -0.659 1.00 75.31 ?  10 ARG A HD2  9  
ATOM   1965 H HD3  . ARG A 1 10 ? -9.906  -4.116  0.010  1.00 15.42 ?  10 ARG A HD3  9  
ATOM   1966 H HE   . ARG A 1 10 ? -10.447 -1.579  0.861  1.00 22.23 ?  10 ARG A HE   9  
ATOM   1967 H HH11 . ARG A 1 10 ? -9.916  -3.078  -2.236 1.00 73.23 ?  10 ARG A HH11 9  
ATOM   1968 H HH12 . ARG A 1 10 ? -10.942 -1.976  -3.092 1.00 55.15 ?  10 ARG A HH12 9  
ATOM   1969 H HH21 . ARG A 1 10 ? -11.801 -0.121  -0.255 1.00 54.34 ?  10 ARG A HH21 9  
ATOM   1970 H HH22 . ARG A 1 10 ? -12.014 -0.294  -1.964 1.00 52.33 ?  10 ARG A HH22 9  
HETATM 1971 N N    . IYR A 1 11 ? -7.804  -5.383  4.577  1.00 4.14  ?  11 IYR A N    9  
HETATM 1972 C CA   . IYR A 1 11 ? -8.575  -5.430  5.818  1.00 0.21  ?  11 IYR A CA   9  
HETATM 1973 C CB   . IYR A 1 11 ? -8.699  -6.890  6.365  1.00 41.10 ?  11 IYR A CB   9  
HETATM 1974 C CC   . IYR A 1 11 ? -9.939  -7.603  5.870  1.00 75.23 ?  11 IYR A CC   9  
HETATM 1975 C CD   . IYR A 1 11 ? -10.190 -7.721  4.498  1.00 61.33 ?  11 IYR A CD   9  
HETATM 1976 C CE   . IYR A 1 11 ? -11.324 -8.386  4.035  1.00 42.44 ?  11 IYR A CE   9  
HETATM 1977 I IE   . IYR A 1 11 ? -11.660 -8.543  1.909  1.00 44.41 ?  11 IYR A IE   9  
HETATM 1978 C CF   . IYR A 1 11 ? -12.243 -8.958  4.925  1.00 74.31 ?  11 IYR A CF   9  
HETATM 1979 O OF   . IYR A 1 11 ? -13.393 -9.630  4.570  1.00 52.10 ?  11 IYR A OF   9  
HETATM 1980 C CG   . IYR A 1 11 ? -11.985 -8.836  6.300  1.00 73.43 ?  11 IYR A CG   9  
HETATM 1981 C CH   . IYR A 1 11 ? -10.857 -8.175  6.765  1.00 10.04 ?  11 IYR A CH   9  
HETATM 1982 C C    . IYR A 1 11 ? -7.779  -4.601  6.845  1.00 25.12 ?  11 IYR A C    9  
HETATM 1983 O O    . IYR A 1 11 ? -8.330  -3.722  7.506  1.00 74.52 ?  11 IYR A O    9  
HETATM 1984 H H    . IYR A 1 11 ? -7.528  -6.223  4.153  1.00 14.32 ?  11 IYR A H    9  
HETATM 1985 H HA   . IYR A 1 11 ? -9.566  -5.012  5.627  1.00 72.33 ?  11 IYR A HA   9  
HETATM 1986 H HB2  . IYR A 1 11 ? -7.800  -7.432  6.051  1.00 11.51 ?  11 IYR A HB2  9  
HETATM 1987 H HB3  . IYR A 1 11 ? -8.698  -6.847  7.460  1.00 60.32 ?  11 IYR A HB3  9  
HETATM 1988 H HD   . IYR A 1 11 ? -9.501  -7.282  3.787  1.00 22.10 ?  11 IYR A HD   9  
HETATM 1989 H HF   . IYR A 1 11 ? -14.165 -9.343  5.130  1.00 73.54 ?  11 IYR A HF   9  
HETATM 1990 H HG   . IYR A 1 11 ? -12.702 -9.276  6.982  1.00 11.24 ?  11 IYR A HG   9  
HETATM 1991 H HH   . IYR A 1 11 ? -10.684 -8.096  7.831  1.00 13.23 ?  11 IYR A HH   9  
ATOM   1992 N N    . GLN A 1 12 ? -6.489  -4.895  6.964  1.00 64.22 ?  12 GLN A N    9  
ATOM   1993 C CA   . GLN A 1 12 ? -5.627  -4.184  7.900  1.00 44.33 ?  12 GLN A CA   9  
ATOM   1994 C C    . GLN A 1 12 ? -5.346  -2.766  7.413  1.00 33.45 ?  12 GLN A C    9  
ATOM   1995 O O    . GLN A 1 12 ? -5.292  -1.825  8.206  1.00 13.21 ?  12 GLN A O    9  
ATOM   1996 C CB   . GLN A 1 12 ? -4.310  -4.940  8.090  1.00 31.21 ?  12 GLN A CB   9  
ATOM   1997 C CG   . GLN A 1 12 ? -4.484  -6.319  8.708  1.00 72.54 ?  12 GLN A CG   9  
ATOM   1998 C CD   . GLN A 1 12 ? -4.489  -6.282  10.223 1.00 2.41  ?  12 GLN A CD   9  
ATOM   1999 O OE1  . GLN A 1 12 ? -5.544  -6.171  10.849 1.00 4.14  ?  12 GLN A OE1  9  
ATOM   2000 N NE2  . GLN A 1 12 ? -3.308  -6.375  10.822 1.00 42.44 ?  12 GLN A NE2  9  
ATOM   2001 H H    . GLN A 1 12 ? -6.108  -5.606  6.409  1.00 63.03 ?  12 GLN A H    9  
ATOM   2002 H HA   . GLN A 1 12 ? -6.140  -4.130  8.848  1.00 74.14 ?  12 GLN A HA   9  
ATOM   2003 H HB2  . GLN A 1 12 ? -3.835  -5.058  7.127  1.00 65.51 ?  12 GLN A HB2  9  
ATOM   2004 H HB3  . GLN A 1 12 ? -3.665  -4.360  8.733  1.00 55.52 ?  12 GLN A HB3  9  
ATOM   2005 H HG2  . GLN A 1 12 ? -5.422  -6.734  8.370  1.00 33.31 ?  12 GLN A HG2  9  
ATOM   2006 H HG3  . GLN A 1 12 ? -3.672  -6.950  8.380  1.00 2.55  ?  12 GLN A HG3  9  
ATOM   2007 H HE21 . GLN A 1 12 ? -2.509  -6.460  10.258 1.00 20.44 ?  12 GLN A HE21 9  
ATOM   2008 H HE22 . GLN A 1 12 ? -3.282  -6.354  11.800 1.00 41.34 ?  12 GLN A HE22 9  
ATOM   2009 N N    . CYS A 1 13 ? -5.169  -2.620  6.104  1.00 25.25 ?  13 CYS A N    9  
ATOM   2010 C CA   . CYS A 1 13 ? -4.893  -1.317  5.511  1.00 24.34 ?  13 CYS A CA   9  
ATOM   2011 C C    . CYS A 1 13 ? -6.014  -0.329  5.822  1.00 61.23 ?  13 CYS A C    9  
ATOM   2012 O O    . CYS A 1 13 ? -5.771  0.863   6.008  1.00 1.13  ?  13 CYS A O    9  
ATOM   2013 C CB   . CYS A 1 13 ? -4.722  -1.450  3.997  1.00 11.44 ?  13 CYS A CB   9  
ATOM   2014 S SG   . CYS A 1 13 ? -3.958  0.003   3.205  1.00 70.22 ?  13 CYS A SG   9  
ATOM   2015 H H    . CYS A 1 13 ? -5.225  -3.408  5.523  1.00 70.11 ?  13 CYS A H    9  
ATOM   2016 H HA   . CYS A 1 13 ? -3.974  -0.946  5.937  1.00 71.43 ?  13 CYS A HA   9  
ATOM   2017 H HB2  . CYS A 1 13 ? -4.094  -2.304  3.786  1.00 64.53 ?  13 CYS A HB2  9  
ATOM   2018 H HB3  . CYS A 1 13 ? -5.690  -1.601  3.543  1.00 23.34 ?  13 CYS A HB3  9  
ATOM   2019 N N    . TYR A 1 14 ? -7.242  -0.835  5.877  1.00 22.23 ?  14 TYR A N    9  
ATOM   2020 C CA   . TYR A 1 14 ? -8.401  0.003   6.163  1.00 41.03 ?  14 TYR A CA   9  
ATOM   2021 C C    . TYR A 1 14 ? -8.239  0.718   7.502  1.00 41.31 ?  14 TYR A C    9  
ATOM   2022 O O    . TYR A 1 14 ? -8.244  0.089   8.560  1.00 14.42 ?  14 TYR A O    9  
ATOM   2023 C CB   . TYR A 1 14 ? -9.675  -0.841  6.174  1.00 50.31 ?  14 TYR A CB   9  
ATOM   2024 C CG   . TYR A 1 14 ? -10.919 -0.064  5.808  1.00 32.42 ?  14 TYR A CG   9  
ATOM   2025 C CD1  . TYR A 1 14 ? -11.588 -0.307  4.615  1.00 72.15 ?  14 TYR A CD1  9  
ATOM   2026 C CD2  . TYR A 1 14 ? -11.427 0.913   6.657  1.00 25.42 ?  14 TYR A CD2  9  
ATOM   2027 C CE1  . TYR A 1 14 ? -12.724 0.402   4.276  1.00 24.03 ?  14 TYR A CE1  9  
ATOM   2028 C CE2  . TYR A 1 14 ? -12.563 1.625   6.326  1.00 41.21 ?  14 TYR A CE2  9  
ATOM   2029 C CZ   . TYR A 1 14 ? -13.209 1.366   5.135  1.00 60.41 ?  14 TYR A CZ   9  
ATOM   2030 O OH   . TYR A 1 14 ? -14.341 2.073   4.802  1.00 51.03 ?  14 TYR A OH   9  
ATOM   2031 H H    . TYR A 1 14 ? -7.372  -1.793  5.720  1.00 44.30 ?  14 TYR A H    9  
ATOM   2032 H HA   . TYR A 1 14 ? -8.477  0.742   5.380  1.00 0.44  ?  14 TYR A HA   9  
ATOM   2033 H HB2  . TYR A 1 14 ? -9.571  -1.650  5.467  1.00 42.13 ?  14 TYR A HB2  9  
ATOM   2034 H HB3  . TYR A 1 14 ? -9.819  -1.251  7.164  1.00 64.40 ?  14 TYR A HB3  9  
ATOM   2035 H HD1  . TYR A 1 14 ? -11.207 -1.064  3.945  1.00 1.23  ?  14 TYR A HD1  9  
ATOM   2036 H HD2  . TYR A 1 14 ? -10.919 1.113   7.589  1.00 52.34 ?  14 TYR A HD2  9  
ATOM   2037 H HE1  . TYR A 1 14 ? -13.230 0.199   3.343  1.00 35.44 ?  14 TYR A HE1  9  
ATOM   2038 H HE2  . TYR A 1 14 ? -12.942 2.381   6.998  1.00 11.21 ?  14 TYR A HE2  9  
ATOM   2039 H HH   . TYR A 1 14 ? -14.183 3.011   4.932  1.00 34.25 ?  14 TYR A HH   9  
ATOM   2040 N N    . LYS A 1 15 ? -8.095  2.037   7.446  1.00 31.30 ?  15 LYS A N    9  
ATOM   2041 C CA   . LYS A 1 15 ? -7.934  2.841   8.651  1.00 33.13 ?  15 LYS A CA   9  
ATOM   2042 C C    . LYS A 1 15 ? -9.172  2.750   9.537  1.00 75.54 ?  15 LYS A C    9  
ATOM   2043 O O    . LYS A 1 15 ? -9.108  2.261   10.664 1.00 12.22 ?  15 LYS A O    9  
ATOM   2044 C CB   . LYS A 1 15 ? -7.663  4.302   8.283  1.00 23.42 ?  15 LYS A CB   9  
ATOM   2045 C CG   . LYS A 1 15 ? -6.265  4.544   7.739  1.00 42.22 ?  15 LYS A CG   9  
ATOM   2046 C CD   . LYS A 1 15 ? -6.189  5.843   6.955  1.00 3.15  ?  15 LYS A CD   9  
ATOM   2047 C CE   . LYS A 1 15 ? -6.580  5.639   5.499  1.00 5.10  ?  15 LYS A CE   9  
ATOM   2048 N NZ   . LYS A 1 15 ? -6.420  6.887   4.702  1.00 24.11 1  15 LYS A NZ   9  
ATOM   2049 H H    . LYS A 1 15 ? -8.098  2.482   6.572  1.00 14.13 ?  15 LYS A H    9  
ATOM   2050 H HA   . LYS A 1 15 ? -7.086  2.454   9.198  1.00 62.33 ?  15 LYS A HA   9  
ATOM   2051 H HB2  . LYS A 1 15 ? -8.377  4.610   7.534  1.00 40.30 ?  15 LYS A HB2  9  
ATOM   2052 H HB3  . LYS A 1 15 ? -7.793  4.913   9.165  1.00 33.21 ?  15 LYS A HB3  9  
ATOM   2053 H HG2  . LYS A 1 15 ? -5.571  4.592   8.564  1.00 44.53 ?  15 LYS A HG2  9  
ATOM   2054 H HG3  . LYS A 1 15 ? -5.997  3.725   7.087  1.00 11.25 ?  15 LYS A HG3  9  
ATOM   2055 H HD2  . LYS A 1 15 ? -6.862  6.562   7.399  1.00 72.23 ?  15 LYS A HD2  9  
ATOM   2056 H HD3  . LYS A 1 15 ? -5.178  6.220   6.998  1.00 53.42 ?  15 LYS A HD3  9  
ATOM   2057 H HE2  . LYS A 1 15 ? -5.954  4.869   5.076  1.00 34.30 ?  15 LYS A HE2  9  
ATOM   2058 H HE3  . LYS A 1 15 ? -7.614  5.326   5.458  1.00 22.05 ?  15 LYS A HE3  9  
ATOM   2059 H HZ1  . LYS A 1 15 ? -5.547  6.841   4.137  1.00 60.33 ?  15 LYS A HZ1  9  
ATOM   2060 H HZ2  . LYS A 1 15 ? -7.230  7.008   4.060  1.00 62.45 ?  15 LYS A HZ2  9  
ATOM   2061 H HZ3  . LYS A 1 15 ? -6.367  7.711   5.335  1.00 41.22 ?  15 LYS A HZ3  9  
HETATM 2062 N N    . PCA A 1 1  ? 3.807   0.934   -1.406 1.00 11.13 ?  1  PCA A N    10 
HETATM 2063 C CA   . PCA A 1 1  ? 3.387   -0.269  -0.637 1.00 24.44 ?  1  PCA A CA   10 
HETATM 2064 C CB   . PCA A 1 1  ? 2.042   0.158   -0.043 1.00 44.42 ?  1  PCA A CB   10 
HETATM 2065 C CG   . PCA A 1 1  ? 1.475   1.157   -1.059 1.00 33.24 ?  1  PCA A CG   10 
HETATM 2066 C CD   . PCA A 1 1  ? 2.699   1.756   -1.728 1.00 11.24 ?  1  PCA A CD   10 
HETATM 2067 O OE   . PCA A 1 1  ? 2.741   2.749   -2.428 1.00 22.43 ?  1  PCA A OE   10 
HETATM 2068 C C    . PCA A 1 1  ? 3.278   -1.517  -1.550 1.00 35.00 ?  1  PCA A C    10 
HETATM 2069 O O    . PCA A 1 1  ? 3.778   -1.521  -2.673 1.00 53.44 ?  1  PCA A O    10 
HETATM 2070 H HA   . PCA A 1 1  ? 4.139   -0.462  0.132  1.00 63.24 ?  1  PCA A HA   10 
HETATM 2071 H HB2  . PCA A 1 1  ? 1.394   -0.706  0.114  1.00 51.22 ?  1  PCA A HB2  10 
HETATM 2072 H HB3  . PCA A 1 1  ? 2.217   0.648   0.916  1.00 62.35 ?  1  PCA A HB3  10 
HETATM 2073 H HG2  . PCA A 1 1  ? 0.881   0.656   -1.832 1.00 32.34 ?  1  PCA A HG2  10 
HETATM 2074 H HG3  . PCA A 1 1  ? 0.861   1.954   -0.628 1.00 1.32  ?  1  PCA A HG3  10 
ATOM   2075 N N    . GLY A 1 2  ? 2.621   -2.557  -1.045 1.00 41.40 ?  2  GLY A N    10 
ATOM   2076 C CA   . GLY A 1 2  ? 2.459   -3.776  -1.816 1.00 31.12 ?  2  GLY A CA   10 
ATOM   2077 C C    . GLY A 1 2  ? 1.344   -4.654  -1.284 1.00 64.33 ?  2  GLY A C    10 
ATOM   2078 O O    . GLY A 1 2  ? 0.586   -5.242  -2.056 1.00 60.30 ?  2  GLY A O    10 
ATOM   2079 H H    . GLY A 1 2  ? 2.244   -2.497  -0.142 1.00 2.33  ?  2  GLY A H    10 
ATOM   2080 H HA2  . GLY A 1 2  ? 2.242   -3.515  -2.841 1.00 1.55  ?  2  GLY A HA2  10 
ATOM   2081 H HA3  . GLY A 1 2  ? 3.386   -4.332  -1.785 1.00 61.12 ?  2  GLY A HA3  10 
ATOM   2082 N N    . CYS A 1 3  ? 1.244   -4.746  0.037  1.00 5.34  ?  3  CYS A N    10 
ATOM   2083 C CA   . CYS A 1 3  ? 0.214   -5.560  0.673  1.00 74.31 ?  3  CYS A CA   10 
ATOM   2084 C C    . CYS A 1 3  ? -1.120  -4.820  0.706  1.00 50.31 ?  3  CYS A C    10 
ATOM   2085 O O    . CYS A 1 3  ? -2.181  -5.422  0.538  1.00 54.34 ?  3  CYS A O    10 
ATOM   2086 C CB   . CYS A 1 3  ? 0.637   -5.937  2.093  1.00 62.42 ?  3  CYS A CB   10 
ATOM   2087 S SG   . CYS A 1 3  ? 0.119   -7.607  2.604  1.00 34.43 ?  3  CYS A SG   10 
ATOM   2088 H H    . CYS A 1 3  ? 1.878   -4.253  0.601  1.00 52.12 ?  3  CYS A H    10 
ATOM   2089 H HA   . CYS A 1 3  ? 0.097   -6.460  0.090  1.00 31.55 ?  3  CYS A HA   10 
ATOM   2090 H HB2  . CYS A 1 3  ? 1.714   -5.892  2.164  1.00 65.14 ?  3  CYS A HB2  10 
ATOM   2091 H HB3  . CYS A 1 3  ? 0.206   -5.232  2.788  1.00 35.30 ?  3  CYS A HB3  10 
ATOM   2092 N N    . CYS A 1 4  ? -1.059  -3.511  0.925  1.00 4.35  ?  4  CYS A N    10 
ATOM   2093 C CA   . CYS A 1 4  ? -2.261  -2.688  0.982  1.00 71.11 ?  4  CYS A CA   10 
ATOM   2094 C C    . CYS A 1 4  ? -3.118  -2.890  -0.265 1.00 22.25 ?  4  CYS A C    10 
ATOM   2095 O O    . CYS A 1 4  ? -4.342  -2.770  -0.217 1.00 50.41 ?  4  CYS A O    10 
ATOM   2096 C CB   . CYS A 1 4  ? -1.887  -1.211  1.123  1.00 32.54 ?  4  CYS A CB   10 
ATOM   2097 S SG   . CYS A 1 4  ? -1.873  -0.608  2.842  1.00 53.23 ?  4  CYS A SG   10 
ATOM   2098 H H    . CYS A 1 4  ? -0.183  -3.087  1.052  1.00 63.22 ?  4  CYS A H    10 
ATOM   2099 H HA   . CYS A 1 4  ? -2.830  -2.990  1.847  1.00 41.04 ?  4  CYS A HA   10 
ATOM   2100 H HB2  . CYS A 1 4  ? -0.898  -1.057  0.714  1.00 64.22 ?  4  CYS A HB2  10 
ATOM   2101 H HB3  . CYS A 1 4  ? -2.596  -0.613  0.570  1.00 55.24 ?  4  CYS A HB3  10 
ATOM   2102 N N    . THR A 1 5  ? -2.464  -3.196  -1.382 1.00 33.14 ?  5  THR A N    10 
ATOM   2103 C CA   . THR A 1 5  ? -3.165  -3.414  -2.641 1.00 53.20 ?  5  THR A CA   10 
ATOM   2104 C C    . THR A 1 5  ? -3.980  -4.701  -2.602 1.00 2.14  ?  5  THR A C    10 
ATOM   2105 O O    . THR A 1 5  ? -5.023  -4.807  -3.249 1.00 45.33 ?  5  THR A O    10 
ATOM   2106 C CB   . THR A 1 5  ? -2.184  -3.477  -3.827 1.00 34.35 ?  5  THR A CB   10 
ATOM   2107 O OG1  . THR A 1 5  ? -1.333  -2.325  -3.821 1.00 72.22 ?  5  THR A OG1  10 
ATOM   2108 C CG2  . THR A 1 5  ? -2.934  -3.553  -5.148 1.00 23.04 ?  5  THR A CG2  10 
ATOM   2109 H H    . THR A 1 5  ? -1.489  -3.277  -1.357 1.00 60.31 ?  5  THR A H    10 
ATOM   2110 H HA   . THR A 1 5  ? -3.834  -2.580  -2.800 1.00 24.12 ?  5  THR A HA   10 
ATOM   2111 H HB   . THR A 1 5  ? -1.575  -4.364  -3.724 1.00 23.31 ?  5  THR A HB   10 
ATOM   2112 H HG1  . THR A 1 5  ? -0.732  -2.366  -4.568 1.00 50.44 ?  5  THR A HG1  10 
ATOM   2113 H HG21 . THR A 1 5  ? -3.874  -3.028  -5.058 1.00 45.03 ?  5  THR A HG21 10 
ATOM   2114 H HG22 . THR A 1 5  ? -2.340  -3.096  -5.926 1.00 42.20 ?  5  THR A HG22 10 
ATOM   2115 H HG23 . THR A 1 5  ? -3.120  -4.586  -5.397 1.00 23.13 ?  5  THR A HG23 10 
ATOM   2116 N N    . ASP A 1 6  ? -3.500  -5.676  -1.839 1.00 3.10  ?  6  ASP A N    10 
ATOM   2117 C CA   . ASP A 1 6  ? -4.186  -6.957  -1.714 1.00 50.31 ?  6  ASP A CA   10 
ATOM   2118 C C    . ASP A 1 6  ? -5.411  -6.832  -0.814 1.00 20.41 ?  6  ASP A C    10 
ATOM   2119 O O    . ASP A 1 6  ? -5.469  -5.993  0.085  1.00 44.31 ?  6  ASP A O    10 
ATOM   2120 C CB   . ASP A 1 6  ? -3.234  -8.016  -1.155 1.00 73.24 ?  6  ASP A CB   10 
ATOM   2121 C CG   . ASP A 1 6  ? -2.342  -8.615  -2.225 1.00 24.01 ?  6  ASP A CG   10 
ATOM   2122 O OD1  . ASP A 1 6  ? -1.120  -8.717  -1.991 1.00 3.32  ?  6  ASP A OD1  10 
ATOM   2123 O OD2  . ASP A 1 6  ? -2.867  -8.984  -3.297 1.00 15.43 -1 6  ASP A OD2  10 
ATOM   2124 H H    . ASP A 1 6  ? -2.665  -5.531  -1.348 1.00 22.03 ?  6  ASP A H    10 
ATOM   2125 H HA   . ASP A 1 6  ? -4.507  -7.259  -2.699 1.00 52.23 ?  6  ASP A HA   10 
ATOM   2126 H HB2  . ASP A 1 6  ? -2.606  -7.566  -0.401 1.00 62.22 ?  6  ASP A HB2  10 
ATOM   2127 H HB3  . ASP A 1 6  ? -3.813  -8.811  -0.708 1.00 75.25 ?  6  ASP A HB3  10 
ATOM   2128 N N    . PRO A 1 7  ? -6.417  -7.684  -1.062 1.00 4.05  ?  7  PRO A N    10 
ATOM   2129 C CA   . PRO A 1 7  ? -7.660  -7.688  -0.285 1.00 44.51 ?  7  PRO A CA   10 
ATOM   2130 C C    . PRO A 1 7  ? -7.454  -8.193  1.138  1.00 2.22  ?  7  PRO A C    10 
ATOM   2131 O O    . PRO A 1 7  ? -7.950  -7.598  2.096  1.00 33.15 ?  7  PRO A O    10 
ATOM   2132 C CB   . PRO A 1 7  ? -8.564  -8.647  -1.067 1.00 22.34 ?  7  PRO A CB   10 
ATOM   2133 C CG   . PRO A 1 7  ? -7.623  -9.547  -1.791 1.00 41.54 ?  7  PRO A CG   10 
ATOM   2134 C CD   . PRO A 1 7  ? -6.418  -8.710  -2.118 1.00 33.00 ?  7  PRO A CD   10 
ATOM   2135 H HA   . PRO A 1 7  ? -8.113  -6.707  -0.257 1.00 64.43 ?  7  PRO A HA   10 
ATOM   2136 H HB2  . PRO A 1 7  ? -9.188  -9.198  -0.379 1.00 50.11 ?  7  PRO A HB2  10 
ATOM   2137 H HB3  . PRO A 1 7  ? -9.181  -8.087  -1.754 1.00 12.35 ?  7  PRO A HB3  10 
ATOM   2138 H HG2  . PRO A 1 7  ? -7.344  -10.374 -1.155 1.00 2.22  ?  7  PRO A HG2  10 
ATOM   2139 H HG3  . PRO A 1 7  ? -8.086  -9.908  -2.697 1.00 75.12 ?  7  PRO A HG3  10 
ATOM   2140 H HD2  . PRO A 1 7  ? -5.519  -9.308  -2.075 1.00 2.45  ?  7  PRO A HD2  10 
ATOM   2141 H HD3  . PRO A 1 7  ? -6.526  -8.258  -3.094 1.00 65.12 ?  7  PRO A HD3  10 
ATOM   2142 N N    . ARG A 1 8  ? -6.718  -9.291  1.270  1.00 31.05 ?  8  ARG A N    10 
ATOM   2143 C CA   . ARG A 1 8  ? -6.446  -9.876  2.578  1.00 53.43 ?  8  ARG A CA   10 
ATOM   2144 C C    . ARG A 1 8  ? -5.761  -8.866  3.493  1.00 65.42 ?  8  ARG A C    10 
ATOM   2145 O O    . ARG A 1 8  ? -6.007  -8.839  4.700  1.00 24.44 ?  8  ARG A O    10 
ATOM   2146 C CB   . ARG A 1 8  ? -5.571  -11.123 2.432  1.00 63.11 ?  8  ARG A CB   10 
ATOM   2147 C CG   . ARG A 1 8  ? -6.330  -12.343 1.936  1.00 71.54 ?  8  ARG A CG   10 
ATOM   2148 C CD   . ARG A 1 8  ? -5.548  -13.623 2.188  1.00 24.33 ?  8  ARG A CD   10 
ATOM   2149 N NE   . ARG A 1 8  ? -5.600  -14.030 3.590  1.00 70.34 ?  8  ARG A NE   10 
ATOM   2150 C CZ   . ARG A 1 8  ? -5.332  -15.261 4.008  1.00 35.53 ?  8  ARG A CZ   10 
ATOM   2151 N NH1  . ARG A 1 8  ? -4.993  -16.202 3.138  1.00 63.04 1  8  ARG A NH1  10 
ATOM   2152 N NH2  . ARG A 1 8  ? -5.401  -15.555 5.301  1.00 10.15 ?  8  ARG A NH2  10 
ATOM   2153 H H    . ARG A 1 8  ? -6.350  -9.720  0.470  1.00 64.21 ?  8  ARG A H    10 
ATOM   2154 H HA   . ARG A 1 8  ? -7.391  -10.160 3.017  1.00 73.52 ?  8  ARG A HA   10 
ATOM   2155 H HB2  . ARG A 1 8  ? -4.777  -10.911 1.731  1.00 61.45 ?  8  ARG A HB2  10 
ATOM   2156 H HB3  . ARG A 1 8  ? -5.140  -11.359 3.392  1.00 40.11 ?  8  ARG A HB3  10 
ATOM   2157 H HG2  . ARG A 1 8  ? -7.274  -12.404 2.455  1.00 53.32 ?  8  ARG A HG2  10 
ATOM   2158 H HG3  . ARG A 1 8  ? -6.504  -12.241 0.876  1.00 30.32 ?  8  ARG A HG3  10 
ATOM   2159 H HD2  . ARG A 1 8  ? -5.968  -14.411 1.579  1.00 53.54 ?  8  ARG A HD2  10 
ATOM   2160 H HD3  . ARG A 1 8  ? -4.518  -13.462 1.907  1.00 33.33 ?  8  ARG A HD3  10 
ATOM   2161 H HE   . ARG A 1 8  ? -5.849  -13.350 4.251  1.00 23.04 ?  8  ARG A HE   10 
ATOM   2162 H HH11 . ARG A 1 8  ? -4.939  -15.984 2.164  1.00 14.24 ?  8  ARG A HH11 10 
ATOM   2163 H HH12 . ARG A 1 8  ? -4.789  -17.129 3.455  1.00 53.33 ?  8  ARG A HH12 10 
ATOM   2164 H HH21 . ARG A 1 8  ? -5.655  -14.848 5.960  1.00 72.15 ?  8  ARG A HH21 10 
ATOM   2165 H HH22 . ARG A 1 8  ? -5.198  -16.481 5.615  1.00 51.31 ?  8  ARG A HH22 10 
ATOM   2166 N N    . CYS A 1 9  ? -4.902  -8.036  2.912  1.00 23.53 ?  9  CYS A N    10 
ATOM   2167 C CA   . CYS A 1 9  ? -4.179  -7.024  3.675  1.00 21.11 ?  9  CYS A CA   10 
ATOM   2168 C C    . CYS A 1 9  ? -4.993  -5.738  3.777  1.00 22.01 ?  9  CYS A C    10 
ATOM   2169 O O    . CYS A 1 9  ? -4.914  -5.019  4.773  1.00 24.12 ?  9  CYS A O    10 
ATOM   2170 C CB   . CYS A 1 9  ? -2.826  -6.734  3.022  1.00 13.23 ?  9  CYS A CB   10 
ATOM   2171 S SG   . CYS A 1 9  ? -1.394  -7.287  4.003  1.00 54.11 ?  9  CYS A SG   10 
ATOM   2172 H H    . CYS A 1 9  ? -4.748  -8.106  1.946  1.00 40.33 ?  9  CYS A H    10 
ATOM   2173 H HA   . CYS A 1 9  ? -4.014  -7.412  4.668  1.00 20.44 ?  9  CYS A HA   10 
ATOM   2174 H HB2  . CYS A 1 9  ? -2.782  -7.235  2.066  1.00 24.41 ?  9  CYS A HB2  10 
ATOM   2175 H HB3  . CYS A 1 9  ? -2.729  -5.670  2.870  1.00 71.44 ?  9  CYS A HB3  10 
ATOM   2176 N N    . ARG A 1 10 ? -5.775  -5.455  2.741  1.00 3.34  ?  10 ARG A N    10 
ATOM   2177 C CA   . ARG A 1 10 ? -6.603  -4.254  2.714  1.00 22.50 ?  10 ARG A CA   10 
ATOM   2178 C C    . ARG A 1 10 ? -7.437  -4.141  3.987  1.00 41.43 ?  10 ARG A C    10 
ATOM   2179 O O    . ARG A 1 10 ? -7.712  -3.041  4.464  1.00 53.40 ?  10 ARG A O    10 
ATOM   2180 C CB   . ARG A 1 10 ? -7.519  -4.269  1.489  1.00 31.33 ?  10 ARG A CB   10 
ATOM   2181 C CG   . ARG A 1 10 ? -8.531  -3.133  1.473  1.00 21.23 ?  10 ARG A CG   10 
ATOM   2182 C CD   . ARG A 1 10 ? -9.320  -3.111  0.173  1.00 41.14 ?  10 ARG A CD   10 
ATOM   2183 N NE   . ARG A 1 10 ? -10.054 -4.355  -0.043 1.00 43.11 ?  10 ARG A NE   10 
ATOM   2184 C CZ   . ARG A 1 10 ? -11.004 -4.499  -0.961 1.00 63.03 ?  10 ARG A CZ   10 
ATOM   2185 N NH1  . ARG A 1 10 ? -11.332 -3.481  -1.745 1.00 13.21 1  10 ARG A NH1  10 
ATOM   2186 N NH2  . ARG A 1 10 ? -11.627 -5.662  -1.098 1.00 73.00 ?  10 ARG A NH2  10 
ATOM   2187 H H    . ARG A 1 10 ? -5.795  -6.066  1.975  1.00 4.50  ?  10 ARG A H    10 
ATOM   2188 H HA   . ARG A 1 10 ? -5.946  -3.399  2.651  1.00 22.35 ?  10 ARG A HA   10 
ATOM   2189 H HB2  . ARG A 1 10 ? -6.912  -4.194  0.598  1.00 62.12 ?  10 ARG A HB2  10 
ATOM   2190 H HB3  . ARG A 1 10 ? -8.059  -5.202  1.470  1.00 64.12 ?  10 ARG A HB3  10 
ATOM   2191 H HG2  . ARG A 1 10 ? -9.217  -3.263  2.296  1.00 70.13 ?  10 ARG A HG2  10 
ATOM   2192 H HG3  . ARG A 1 10 ? -8.006  -2.195  1.581  1.00 3.04  ?  10 ARG A HG3  10 
ATOM   2193 H HD2  . ARG A 1 10 ? -10.023 -2.291  0.209  1.00 75.31 ?  10 ARG A HD2  10 
ATOM   2194 H HD3  . ARG A 1 10 ? -8.634  -2.962  -0.647 1.00 15.42 ?  10 ARG A HD3  10 
ATOM   2195 H HE   . ARG A 1 10 ? -9.828  -5.120  0.526  1.00 22.23 ?  10 ARG A HE   10 
ATOM   2196 H HH11 . ARG A 1 10 ? -10.864 -2.603  -1.646 1.00 73.23 ?  10 ARG A HH11 10 
ATOM   2197 H HH12 . ARG A 1 10 ? -12.046 -3.592  -2.436 1.00 55.15 ?  10 ARG A HH12 10 
ATOM   2198 H HH21 . ARG A 1 10 ? -11.381 -6.431  -0.508 1.00 54.34 ?  10 ARG A HH21 10 
ATOM   2199 H HH22 . ARG A 1 10 ? -12.340 -5.769  -1.788 1.00 52.33 ?  10 ARG A HH22 10 
HETATM 2200 N N    . IYR A 1 11 ? -7.838  -5.286  4.529  1.00 4.14  ?  11 IYR A N    10 
HETATM 2201 C CA   . IYR A 1 11 ? -8.645  -5.315  5.748  1.00 0.21  ?  11 IYR A CA   10 
HETATM 2202 C CB   . IYR A 1 11 ? -8.847  -6.775  6.271  1.00 41.10 ?  11 IYR A CB   10 
HETATM 2203 C CC   . IYR A 1 11 ? -10.109 -7.422  5.742  1.00 75.23 ?  11 IYR A CC   10 
HETATM 2204 C CD   . IYR A 1 11 ? -10.335 -7.517  4.364  1.00 61.33 ?  11 IYR A CD   10 
HETATM 2205 C CE   . IYR A 1 11 ? -11.488 -8.121  3.870  1.00 42.44 ?  11 IYR A CE   10 
HETATM 2206 I IE   . IYR A 1 11 ? -11.784 -8.245  1.735  1.00 44.41 ?  11 IYR A IE   10 
HETATM 2207 C CF   . IYR A 1 11 ? -12.455 -8.655  4.733  1.00 74.31 ?  11 IYR A CF   10 
HETATM 2208 O OF   . IYR A 1 11 ? -13.628 -9.267  4.346  1.00 52.10 ?  11 IYR A OF   10 
HETATM 2209 C CG   . IYR A 1 11 ? -12.223 -8.558  6.114  1.00 73.43 ?  11 IYR A CG   10 
HETATM 2210 C CH   . IYR A 1 11 ? -11.074 -7.956  6.610  1.00 10.04 ?  11 IYR A CH   10 
HETATM 2211 C C    . IYR A 1 11 ? -7.842  -4.536  6.807  1.00 25.12 ?  11 IYR A C    10 
HETATM 2212 O O    . IYR A 1 11 ? -8.373  -3.643  7.467  1.00 74.52 ?  11 IYR A O    10 
HETATM 2213 H H    . IYR A 1 11 ? -7.588  -6.131  4.101  1.00 14.32 ?  11 IYR A H    10 
HETATM 2214 H HA   . IYR A 1 11 ? -9.611  -4.852  5.537  1.00 72.33 ?  11 IYR A HA   10 
HETATM 2215 H HB2  . IYR A 1 11 ? -7.968  -7.355  5.966  1.00 11.51 ?  11 IYR A HB2  10 
HETATM 2216 H HB3  . IYR A 1 11 ? -8.866  -6.747  7.366  1.00 60.32 ?  11 IYR A HB3  10 
HETATM 2217 H HD   . IYR A 1 11 ? -9.608  -7.105  3.671  1.00 22.10 ?  11 IYR A HD   10 
HETATM 2218 H HF   . IYR A 1 11 ? -13.987 -9.847  5.072  1.00 73.54 ?  11 IYR A HF   10 
HETATM 2219 H HG   . IYR A 1 11 ? -12.976 -8.967  6.777  1.00 11.24 ?  11 IYR A HG   10 
HETATM 2220 H HH   . IYR A 1 11 ? -10.922 -7.894  7.681  1.00 13.23 ?  11 IYR A HH   10 
ATOM   2221 N N    . GLN A 1 12 ? -6.568  -4.885  6.955  1.00 64.22 ?  12 GLN A N    10 
ATOM   2222 C CA   . GLN A 1 12 ? -5.701  -4.225  7.923  1.00 44.33 ?  12 GLN A CA   10 
ATOM   2223 C C    . GLN A 1 12 ? -5.347  -2.815  7.463  1.00 33.45 ?  12 GLN A C    10 
ATOM   2224 O O    . GLN A 1 12 ? -5.270  -1.889  8.271  1.00 13.21 ?  12 GLN A O    10 
ATOM   2225 C CB   . GLN A 1 12 ? -4.425  -5.041  8.136  1.00 31.21 ?  12 GLN A CB   10 
ATOM   2226 C CG   . GLN A 1 12 ? -3.547  -4.513  9.260  1.00 72.54 ?  12 GLN A CG   10 
ATOM   2227 C CD   . GLN A 1 12 ? -4.147  -4.750  10.631 1.00 2.41  ?  12 GLN A CD   10 
ATOM   2228 O OE1  . GLN A 1 12 ? -5.000  -3.987  11.088 1.00 4.14  ?  12 GLN A OE1  10 
ATOM   2229 N NE2  . GLN A 1 12 ? -3.706  -5.812  11.295 1.00 42.44 ?  12 GLN A NE2  10 
ATOM   2230 H H    . GLN A 1 12 ? -6.204  -5.605  6.399  1.00 63.03 ?  12 GLN A H    10 
ATOM   2231 H HA   . GLN A 1 12 ? -6.237  -4.162  8.858  1.00 74.14 ?  12 GLN A HA   10 
ATOM   2232 H HB2  . GLN A 1 12 ? -4.698  -6.059  8.370  1.00 65.51 ?  12 GLN A HB2  10 
ATOM   2233 H HB3  . GLN A 1 12 ? -3.849  -5.031  7.223  1.00 55.52 ?  12 GLN A HB3  10 
ATOM   2234 H HG2  . GLN A 1 12 ? -2.589  -5.009  9.213  1.00 33.31 ?  12 GLN A HG2  10 
ATOM   2235 H HG3  . GLN A 1 12 ? -3.408  -3.451  9.122  1.00 2.55  ?  12 GLN A HG3  10 
ATOM   2236 H HE21 . GLN A 1 12 ? -3.026  -6.373  10.869 1.00 20.44 ?  12 GLN A HE21 10 
ATOM   2237 H HE22 . GLN A 1 12 ? -4.077  -5.987  12.185 1.00 41.34 ?  12 GLN A HE22 10 
ATOM   2238 N N    . CYS A 1 13 ? -5.131  -2.658  6.162  1.00 25.25 ?  13 CYS A N    10 
ATOM   2239 C CA   . CYS A 1 13 ? -4.784  -1.361  5.594  1.00 24.34 ?  13 CYS A CA   10 
ATOM   2240 C C    . CYS A 1 13 ? -5.868  -0.330  5.890  1.00 61.23 ?  13 CYS A C    10 
ATOM   2241 O O    . CYS A 1 13 ? -5.578  0.849   6.097  1.00 1.13  ?  13 CYS A O    10 
ATOM   2242 C CB   . CYS A 1 13 ? -4.578  -1.482  4.082  1.00 11.44 ?  13 CYS A CB   10 
ATOM   2243 S SG   . CYS A 1 13 ? -3.731  -0.055  3.332  1.00 70.22 ?  13 CYS A SG   10 
ATOM   2244 H H    . CYS A 1 13 ? -5.207  -3.435  5.567  1.00 70.11 ?  13 CYS A H    10 
ATOM   2245 H HA   . CYS A 1 13 ? -3.860  -1.037  6.049  1.00 71.43 ?  13 CYS A HA   10 
ATOM   2246 H HB2  . CYS A 1 13 ? -3.984  -2.361  3.877  1.00 64.53 ?  13 CYS A HB2  10 
ATOM   2247 H HB3  . CYS A 1 13 ? -5.540  -1.584  3.603  1.00 23.34 ?  13 CYS A HB3  10 
ATOM   2248 N N    . TYR A 1 14 ? -7.116  -0.782  5.909  1.00 22.23 ?  14 TYR A N    10 
ATOM   2249 C CA   . TYR A 1 14 ? -8.245  0.102   6.178  1.00 41.03 ?  14 TYR A CA   10 
ATOM   2250 C C    . TYR A 1 14 ? -8.133  0.722   7.568  1.00 41.31 ?  14 TYR A C    10 
ATOM   2251 O O    . TYR A 1 14 ? -7.546  0.134   8.477  1.00 14.42 ?  14 TYR A O    10 
ATOM   2252 C CB   . TYR A 1 14 ? -9.562  -0.665  6.055  1.00 50.31 ?  14 TYR A CB   10 
ATOM   2253 C CG   . TYR A 1 14 ? -10.788 0.215   6.147  1.00 32.42 ?  14 TYR A CG   10 
ATOM   2254 C CD1  . TYR A 1 14 ? -11.013 1.224   5.217  1.00 72.15 ?  14 TYR A CD1  10 
ATOM   2255 C CD2  . TYR A 1 14 ? -11.719 0.040   7.163  1.00 25.42 ?  14 TYR A CD2  10 
ATOM   2256 C CE1  . TYR A 1 14 ? -12.131 2.031   5.297  1.00 24.03 ?  14 TYR A CE1  10 
ATOM   2257 C CE2  . TYR A 1 14 ? -12.840 0.842   7.249  1.00 41.21 ?  14 TYR A CE2  10 
ATOM   2258 C CZ   . TYR A 1 14 ? -13.042 1.836   6.315  1.00 60.41 ?  14 TYR A CZ   10 
ATOM   2259 O OH   . TYR A 1 14 ? -14.156 2.639   6.400  1.00 51.03 ?  14 TYR A OH   10 
ATOM   2260 H H    . TYR A 1 14 ? -7.285  -1.731  5.737  1.00 44.30 ?  14 TYR A H    10 
ATOM   2261 H HA   . TYR A 1 14 ? -8.230  0.893   5.442  1.00 0.44  ?  14 TYR A HA   10 
ATOM   2262 H HB2  . TYR A 1 14 ? -9.589  -1.170  5.101  1.00 42.13 ?  14 TYR A HB2  10 
ATOM   2263 H HB3  . TYR A 1 14 ? -9.619  -1.398  6.846  1.00 64.40 ?  14 TYR A HB3  10 
ATOM   2264 H HD1  . TYR A 1 14 ? -10.298 1.374   4.422  1.00 1.23  ?  14 TYR A HD1  10 
ATOM   2265 H HD2  . TYR A 1 14 ? -11.558 -0.739  7.893  1.00 52.34 ?  14 TYR A HD2  10 
ATOM   2266 H HE1  . TYR A 1 14 ? -12.290 2.810   4.566  1.00 35.44 ?  14 TYR A HE1  10 
ATOM   2267 H HE2  . TYR A 1 14 ? -13.552 0.690   8.047  1.00 11.21 ?  14 TYR A HE2  10 
ATOM   2268 H HH   . TYR A 1 14 ? -14.155 3.267   5.674  1.00 34.25 ?  14 TYR A HH   10 
ATOM   2269 N N    . LYS A 1 15 ? -8.701  1.912   7.726  1.00 31.30 ?  15 LYS A N    10 
ATOM   2270 C CA   . LYS A 1 15 ? -8.668  2.613   9.003  1.00 33.13 ?  15 LYS A CA   10 
ATOM   2271 C C    . LYS A 1 15 ? -9.779  2.118   9.924  1.00 75.54 ?  15 LYS A C    10 
ATOM   2272 O O    . LYS A 1 15 ? -9.524  1.404   10.894 1.00 12.22 ?  15 LYS A O    10 
ATOM   2273 C CB   . LYS A 1 15 ? -8.806  4.122   8.785  1.00 23.42 ?  15 LYS A CB   10 
ATOM   2274 C CG   . LYS A 1 15 ? -7.685  4.720   7.955  1.00 42.22 ?  15 LYS A CG   10 
ATOM   2275 C CD   . LYS A 1 15 ? -7.738  6.239   7.959  1.00 3.15  ?  15 LYS A CD   10 
ATOM   2276 C CE   . LYS A 1 15 ? -8.797  6.762   7.001  1.00 5.10  ?  15 LYS A CE   10 
ATOM   2277 N NZ   . LYS A 1 15 ? -8.419  6.536   5.578  1.00 24.11 1  15 LYS A NZ   10 
ATOM   2278 H H    . LYS A 1 15 ? -9.154  2.330   6.963  1.00 14.13 ?  15 LYS A H    10 
ATOM   2279 H HA   . LYS A 1 15 ? -7.715  2.411   9.469  1.00 62.33 ?  15 LYS A HA   10 
ATOM   2280 H HB2  . LYS A 1 15 ? -9.742  4.317   8.283  1.00 40.30 ?  15 LYS A HB2  10 
ATOM   2281 H HB3  . LYS A 1 15 ? -8.815  4.612   9.747  1.00 33.21 ?  15 LYS A HB3  10 
ATOM   2282 H HG2  . LYS A 1 15 ? -6.737  4.404   8.364  1.00 44.53 ?  15 LYS A HG2  10 
ATOM   2283 H HG3  . LYS A 1 15 ? -7.775  4.368   6.937  1.00 11.25 ?  15 LYS A HG3  10 
ATOM   2284 H HD2  . LYS A 1 15 ? -7.972  6.580   8.956  1.00 72.23 ?  15 LYS A HD2  10 
ATOM   2285 H HD3  . LYS A 1 15 ? -6.774  6.625   7.660  1.00 53.42 ?  15 LYS A HD3  10 
ATOM   2286 H HE2  . LYS A 1 15 ? -9.728  6.253   7.201  1.00 34.30 ?  15 LYS A HE2  10 
ATOM   2287 H HE3  . LYS A 1 15 ? -8.923  7.821   7.167  1.00 22.05 ?  15 LYS A HE3  10 
ATOM   2288 H HZ1  . LYS A 1 15 ? -7.440  6.849   5.415  1.00 60.33 ?  15 LYS A HZ1  10 
ATOM   2289 H HZ2  . LYS A 1 15 ? -8.493  5.525   5.344  1.00 62.45 ?  15 LYS A HZ2  10 
ATOM   2290 H HZ3  . LYS A 1 15 ? -9.051  7.073   4.951  1.00 41.22 ?  15 LYS A HZ3  10 
HETATM 2291 N N    . PCA A 1 1  ? 5.537   -2.228  -4.859 1.00 11.13 ?  1  PCA A N    11 
HETATM 2292 C CA   . PCA A 1 1  ? 4.420   -3.061  -4.337 1.00 24.44 ?  1  PCA A CA   11 
HETATM 2293 C CB   . PCA A 1 1  ? 5.014   -4.473  -4.301 1.00 44.42 ?  1  PCA A CB   11 
HETATM 2294 C CG   . PCA A 1 1  ? 6.066   -4.467  -5.415 1.00 33.24 ?  1  PCA A CG   11 
HETATM 2295 C CD   . PCA A 1 1  ? 6.515   -3.021  -5.509 1.00 11.24 ?  1  PCA A CD   11 
HETATM 2296 O OE   . PCA A 1 1  ? 7.529   -2.599  -6.029 1.00 22.43 ?  1  PCA A OE   11 
HETATM 2297 C C    . PCA A 1 1  ? 3.968   -2.588  -2.932 1.00 35.00 ?  1  PCA A C    11 
HETATM 2298 O O    . PCA A 1 1  ? 4.385   -1.532  -2.458 1.00 53.44 ?  1  PCA A O    11 
HETATM 2299 H HA   . PCA A 1 1  ? 3.576   -2.970  -5.025 1.00 63.24 ?  1  PCA A HA   11 
HETATM 2300 H HB2  . PCA A 1 1  ? 5.435   -4.685  -3.316 1.00 51.22 ?  1  PCA A HB2  11 
HETATM 2301 H HB3  . PCA A 1 1  ? 4.235   -5.205  -4.516 1.00 62.35 ?  1  PCA A HB3  11 
HETATM 2302 H HG2  . PCA A 1 1  ? 6.940   -5.074  -5.151 1.00 32.34 ?  1  PCA A HG2  11 
HETATM 2303 H HG3  . PCA A 1 1  ? 5.705   -4.807  -6.392 1.00 1.32  ?  1  PCA A HG3  11 
ATOM   2304 N N    . GLY A 1 2  ? 3.119   -3.385  -2.289 1.00 41.40 ?  2  GLY A N    11 
ATOM   2305 C CA   . GLY A 1 2  ? 2.632   -3.037  -0.967 1.00 31.12 ?  2  GLY A CA   11 
ATOM   2306 C C    . GLY A 1 2  ? 1.427   -3.861  -0.558 1.00 64.33 ?  2  GLY A C    11 
ATOM   2307 O O    . GLY A 1 2  ? 0.490   -4.033  -1.337 1.00 60.30 ?  2  GLY A O    11 
ATOM   2308 H H    . GLY A 1 2  ? 2.821   -4.215  -2.717 1.00 2.33  ?  2  GLY A H    11 
ATOM   2309 H HA2  . GLY A 1 2  ? 3.424   -3.195  -0.251 1.00 1.55  ?  2  GLY A HA2  11 
ATOM   2310 H HA3  . GLY A 1 2  ? 2.358   -1.993  -0.960 1.00 61.12 ?  2  GLY A HA3  11 
ATOM   2311 N N    . CYS A 1 3  ? 1.452   -4.374  0.668  1.00 5.34  ?  3  CYS A N    11 
ATOM   2312 C CA   . CYS A 1 3  ? 0.354   -5.186  1.180  1.00 74.31 ?  3  CYS A CA   11 
ATOM   2313 C C    . CYS A 1 3  ? -0.950  -4.395  1.187  1.00 50.31 ?  3  CYS A C    11 
ATOM   2314 O O    . CYS A 1 3  ? -2.018  -4.935  0.896  1.00 54.34 ?  3  CYS A O    11 
ATOM   2315 C CB   . CYS A 1 3  ? 0.673   -5.679  2.593  1.00 62.42 ?  3  CYS A CB   11 
ATOM   2316 S SG   . CYS A 1 3  ? 0.059   -7.356  2.951  1.00 34.43 ?  3  CYS A SG   11 
ATOM   2317 H H    . CYS A 1 3  ? 2.228   -4.202  1.243  1.00 52.12 ?  3  CYS A H    11 
ATOM   2318 H HA   . CYS A 1 3  ? 0.241   -6.039  0.527  1.00 31.55 ?  3  CYS A HA   11 
ATOM   2319 H HB2  . CYS A 1 3  ? 1.746   -5.687  2.729  1.00 65.14 ?  3  CYS A HB2  11 
ATOM   2320 H HB3  . CYS A 1 3  ? 0.229   -5.005  3.309  1.00 35.30 ?  3  CYS A HB3  11 
ATOM   2321 N N    . CYS A 1 4  ? -0.856  -3.113  1.522  1.00 4.35  ?  4  CYS A N    11 
ATOM   2322 C CA   . CYS A 1 4  ? -2.027  -2.246  1.569  1.00 71.11 ?  4  CYS A CA   11 
ATOM   2323 C C    . CYS A 1 4  ? -2.801  -2.307  0.254  1.00 22.25 ?  4  CYS A C    11 
ATOM   2324 O O    . CYS A 1 4  ? -4.022  -2.145  0.231  1.00 50.41 ?  4  CYS A O    11 
ATOM   2325 C CB   . CYS A 1 4  ? -1.609  -0.804  1.861  1.00 32.54 ?  4  CYS A CB   11 
ATOM   2326 S SG   . CYS A 1 4  ? -1.725  -0.338  3.618  1.00 53.23 ?  4  CYS A SG   11 
ATOM   2327 H H    . CYS A 1 4  ? 0.024   -2.739  1.744  1.00 63.22 ?  4  CYS A H    11 
ATOM   2328 H HA   . CYS A 1 4  ? -2.667  -2.595  2.365  1.00 41.04 ?  4  CYS A HA   11 
ATOM   2329 H HB2  . CYS A 1 4  ? -0.584  -0.665  1.551  1.00 64.22 ?  4  CYS A HB2  11 
ATOM   2330 H HB3  . CYS A 1 4  ? -2.244  -0.133  1.299  1.00 55.24 ?  4  CYS A HB3  11 
ATOM   2331 N N    . THR A 1 5  ? -2.083  -2.542  -0.839 1.00 33.14 ?  5  THR A N    11 
ATOM   2332 C CA   . THR A 1 5  ? -2.701  -2.624  -2.156 1.00 53.20 ?  5  THR A CA   11 
ATOM   2333 C C    . THR A 1 5  ? -3.558  -3.878  -2.285 1.00 2.14  ?  5  THR A C    11 
ATOM   2334 O O    . THR A 1 5  ? -4.555  -3.889  -3.007 1.00 45.33 ?  5  THR A O    11 
ATOM   2335 C CB   . THR A 1 5  ? -1.641  -2.623  -3.275 1.00 34.35 ?  5  THR A CB   11 
ATOM   2336 O OG1  . THR A 1 5  ? -0.677  -1.591  -3.036 1.00 72.22 ?  5  THR A OG1  11 
ATOM   2337 C CG2  . THR A 1 5  ? -2.290  -2.413  -4.634 1.00 23.04 ?  5  THR A CG2  11 
ATOM   2338 H H    . THR A 1 5  ? -1.114  -2.663  -0.756 1.00 60.31 ?  5  THR A H    11 
ATOM   2339 H HA   . THR A 1 5  ? -3.329  -1.755  -2.284 1.00 24.12 ?  5  THR A HA   11 
ATOM   2340 H HB   . THR A 1 5  ? -1.140  -3.580  -3.275 1.00 23.31 ?  5  THR A HB   11 
ATOM   2341 H HG1  . THR A 1 5  ? -0.102  -1.507  -3.799 1.00 50.44 ?  5  THR A HG1  11 
ATOM   2342 H HG21 . THR A 1 5  ? -3.281  -2.842  -4.631 1.00 45.03 ?  5  THR A HG21 11 
ATOM   2343 H HG22 . THR A 1 5  ? -2.356  -1.356  -4.843 1.00 42.20 ?  5  THR A HG22 11 
ATOM   2344 H HG23 . THR A 1 5  ? -1.693  -2.893  -5.396 1.00 23.13 ?  5  THR A HG23 11 
ATOM   2345 N N    . ASP A 1 6  ? -3.163  -4.933  -1.580 1.00 3.10  ?  6  ASP A N    11 
ATOM   2346 C CA   . ASP A 1 6  ? -3.898  -6.193  -1.615 1.00 50.31 ?  6  ASP A CA   11 
ATOM   2347 C C    . ASP A 1 6  ? -5.180  -6.096  -0.795 1.00 20.41 ?  6  ASP A C    11 
ATOM   2348 O O    . ASP A 1 6  ? -5.274  -5.336  0.168  1.00 44.31 ?  6  ASP A O    11 
ATOM   2349 C CB   . ASP A 1 6  ? -3.023  -7.332  -1.086 1.00 73.24 ?  6  ASP A CB   11 
ATOM   2350 C CG   . ASP A 1 6  ? -2.726  -8.372  -2.148 1.00 24.01 ?  6  ASP A CG   11 
ATOM   2351 O OD1  . ASP A 1 6  ? -2.046  -8.033  -3.140 1.00 3.32  ?  6  ASP A OD1  11 
ATOM   2352 O OD2  . ASP A 1 6  ? -3.172  -9.528  -1.986 1.00 15.43 -1 6  ASP A OD2  11 
ATOM   2353 H H    . ASP A 1 6  ? -2.360  -4.863  -1.024 1.00 22.03 ?  6  ASP A H    11 
ATOM   2354 H HA   . ASP A 1 6  ? -4.156  -6.397  -2.642 1.00 52.23 ?  6  ASP A HA   11 
ATOM   2355 H HB2  . ASP A 1 6  ? -2.086  -6.924  -0.737 1.00 62.22 ?  6  ASP A HB2  11 
ATOM   2356 H HB3  . ASP A 1 6  ? -3.531  -7.815  -0.265 1.00 75.25 ?  6  ASP A HB3  11 
ATOM   2357 N N    . PRO A 1 7  ? -6.192  -6.885  -1.185 1.00 4.05  ?  7  PRO A N    11 
ATOM   2358 C CA   . PRO A 1 7  ? -7.488  -6.908  -0.499 1.00 44.51 ?  7  PRO A CA   11 
ATOM   2359 C C    . PRO A 1 7  ? -7.400  -7.538  0.886  1.00 2.22  ?  7  PRO A C    11 
ATOM   2360 O O    . PRO A 1 7  ? -7.944  -7.008  1.856  1.00 33.15 ?  7  PRO A O    11 
ATOM   2361 C CB   . PRO A 1 7  ? -8.362  -7.760  -1.421 1.00 22.34 ?  7  PRO A CB   11 
ATOM   2362 C CG   . PRO A 1 7  ? -7.402  -8.632  -2.154 1.00 41.54 ?  7  PRO A CG   11 
ATOM   2363 C CD   . PRO A 1 7  ? -6.150  -7.818  -2.324 1.00 33.00 ?  7  PRO A CD   11 
ATOM   2364 H HA   . PRO A 1 7  ? -7.909  -5.916  -0.415 1.00 64.43 ?  7  PRO A HA   11 
ATOM   2365 H HB2  . PRO A 1 7  ? -9.054  -8.344  -0.828 1.00 50.11 ?  7  PRO A HB2  11 
ATOM   2366 H HB3  . PRO A 1 7  ? -8.910  -7.122  -2.096 1.00 12.35 ?  7  PRO A HB3  11 
ATOM   2367 H HG2  . PRO A 1 7  ? -7.197  -9.520  -1.576 1.00 2.22  ?  7  PRO A HG2  11 
ATOM   2368 H HG3  . PRO A 1 7  ? -7.810  -8.897  -3.119 1.00 75.12 ?  7  PRO A HG3  11 
ATOM   2369 H HD2  . PRO A 1 7  ? -5.278  -8.452  -2.272 1.00 2.45  ?  7  PRO A HD2  11 
ATOM   2370 H HD3  . PRO A 1 7  ? -6.173  -7.281  -3.261 1.00 65.12 ?  7  PRO A HD3  11 
ATOM   2371 N N    . ARG A 1 8  ? -6.713  -8.673  0.972  1.00 31.05 ?  8  ARG A N    11 
ATOM   2372 C CA   . ARG A 1 8  ? -6.555  -9.376  2.240  1.00 53.43 ?  8  ARG A CA   11 
ATOM   2373 C C    . ARG A 1 8  ? -5.907  -8.474  3.286  1.00 65.42 ?  8  ARG A C    11 
ATOM   2374 O O    . ARG A 1 8  ? -6.239  -8.540  4.470  1.00 24.44 ?  8  ARG A O    11 
ATOM   2375 C CB   . ARG A 1 8  ? -5.711  -10.637 2.046  1.00 63.11 ?  8  ARG A CB   11 
ATOM   2376 C CG   . ARG A 1 8  ? -4.267  -10.351 1.664  1.00 71.54 ?  8  ARG A CG   11 
ATOM   2377 C CD   . ARG A 1 8  ? -3.669  -11.490 0.854  1.00 24.33 ?  8  ARG A CD   11 
ATOM   2378 N NE   . ARG A 1 8  ? -2.639  -12.210 1.599  1.00 70.34 ?  8  ARG A NE   11 
ATOM   2379 C CZ   . ARG A 1 8  ? -2.904  -13.157 2.491  1.00 35.53 ?  8  ARG A CZ   11 
ATOM   2380 N NH1  . ARG A 1 8  ? -4.160  -13.499 2.747  1.00 63.04 1  8  ARG A NH1  11 
ATOM   2381 N NH2  . ARG A 1 8  ? -1.913  -13.766 3.128  1.00 10.15 ?  8  ARG A NH2  11 
ATOM   2382 H H    . ARG A 1 8  ? -6.303  -9.046  0.164  1.00 64.21 ?  8  ARG A H    11 
ATOM   2383 H HA   . ARG A 1 8  ? -7.537  -9.662  2.585  1.00 73.52 ?  8  ARG A HA   11 
ATOM   2384 H HB2  . ARG A 1 8  ? -5.711  -11.202 2.966  1.00 61.45 ?  8  ARG A HB2  11 
ATOM   2385 H HB3  . ARG A 1 8  ? -6.154  -11.236 1.265  1.00 40.11 ?  8  ARG A HB3  11 
ATOM   2386 H HG2  . ARG A 1 8  ? -4.233  -9.447  1.073  1.00 53.32 ?  8  ARG A HG2  11 
ATOM   2387 H HG3  . ARG A 1 8  ? -3.687  -10.218 2.564  1.00 30.32 ?  8  ARG A HG3  11 
ATOM   2388 H HD2  . ARG A 1 8  ? -4.457  -12.180 0.591  1.00 53.54 ?  8  ARG A HD2  11 
ATOM   2389 H HD3  . ARG A 1 8  ? -3.232  -11.083 -0.045 1.00 33.33 ?  8  ARG A HD3  11 
ATOM   2390 H HE   . ARG A 1 8  ? -1.705  -11.973 1.426  1.00 23.04 ?  8  ARG A HE   11 
ATOM   2391 H HH11 . ARG A 1 8  ? -4.909  -13.042 2.267  1.00 14.24 ?  8  ARG A HH11 11 
ATOM   2392 H HH12 . ARG A 1 8  ? -4.356  -14.214 3.418  1.00 53.33 ?  8  ARG A HH12 11 
ATOM   2393 H HH21 . ARG A 1 8  ? -0.965  -13.513 2.937  1.00 72.15 ?  8  ARG A HH21 11 
ATOM   2394 H HH22 . ARG A 1 8  ? -2.113  -14.480 3.800  1.00 51.31 ?  8  ARG A HH22 11 
ATOM   2395 N N    . CYS A 1 9  ? -4.982  -7.630  2.840  1.00 23.53 ?  9  CYS A N    11 
ATOM   2396 C CA   . CYS A 1 9  ? -4.287  -6.715  3.736  1.00 21.11 ?  9  CYS A CA   11 
ATOM   2397 C C    . CYS A 1 9  ? -5.065  -5.411  3.893  1.00 22.01 ?  9  CYS A C    11 
ATOM   2398 O O    . CYS A 1 9  ? -5.035  -4.782  4.952  1.00 24.12 ?  9  CYS A O    11 
ATOM   2399 C CB   . CYS A 1 9  ? -2.880  -6.421  3.209  1.00 13.23 ?  9  CYS A CB   11 
ATOM   2400 S SG   . CYS A 1 9  ? -1.541  -7.050  4.273  1.00 54.11 ?  9  CYS A SG   11 
ATOM   2401 H H    . CYS A 1 9  ? -4.760  -7.624  1.885  1.00 40.33 ?  9  CYS A H    11 
ATOM   2402 H HA   . CYS A 1 9  ? -4.208  -7.190  4.702  1.00 20.44 ?  9  CYS A HA   11 
ATOM   2403 H HB2  . CYS A 1 9  ? -2.767  -6.876  2.236  1.00 24.41 ?  9  CYS A HB2  11 
ATOM   2404 H HB3  . CYS A 1 9  ? -2.754  -5.353  3.118  1.00 71.44 ?  9  CYS A HB3  11 
ATOM   2405 N N    . ARG A 1 10 ? -5.760  -5.013  2.834  1.00 3.34  ?  10 ARG A N    11 
ATOM   2406 C CA   . ARG A 1 10 ? -6.545  -3.784  2.853  1.00 22.50 ?  10 ARG A CA   11 
ATOM   2407 C C    . ARG A 1 10 ? -7.463  -3.744  4.073  1.00 41.43 ?  10 ARG A C    11 
ATOM   2408 O O    . ARG A 1 10 ? -7.735  -2.678  4.620  1.00 53.40 ?  10 ARG A O    11 
ATOM   2409 C CB   . ARG A 1 10 ? -7.376  -3.665  1.574  1.00 31.33 ?  10 ARG A CB   11 
ATOM   2410 C CG   . ARG A 1 10 ? -8.316  -2.470  1.568  1.00 21.23 ?  10 ARG A CG   11 
ATOM   2411 C CD   . ARG A 1 10 ? -8.889  -2.220  0.182  1.00 41.14 ?  10 ARG A CD   11 
ATOM   2412 N NE   . ARG A 1 10 ? -9.987  -3.133  -0.129 1.00 43.11 ?  10 ARG A NE   11 
ATOM   2413 C CZ   . ARG A 1 10 ? -11.183 -3.066  0.444  1.00 63.03 ?  10 ARG A CZ   11 
ATOM   2414 N NH1  . ARG A 1 10 ? -11.436 -2.135  1.353  1.00 13.21 1  10 ARG A NH1  11 
ATOM   2415 N NH2  . ARG A 1 10 ? -12.130 -3.932  0.107  1.00 73.00 ?  10 ARG A NH2  11 
ATOM   2416 H H    . ARG A 1 10 ? -5.744  -5.557  2.019  1.00 4.50  ?  10 ARG A H    11 
ATOM   2417 H HA   . ARG A 1 10 ? -5.859  -2.953  2.906  1.00 22.35 ?  10 ARG A HA   11 
ATOM   2418 H HB2  . ARG A 1 10 ? -6.706  -3.571  0.731  1.00 62.12 ?  10 ARG A HB2  11 
ATOM   2419 H HB3  . ARG A 1 10 ? -7.966  -4.560  1.457  1.00 64.12 ?  10 ARG A HB3  11 
ATOM   2420 H HG2  . ARG A 1 10 ? -9.129  -2.661  2.253  1.00 70.13 ?  10 ARG A HG2  11 
ATOM   2421 H HG3  . ARG A 1 10 ? -7.772  -1.594  1.887  1.00 3.04  ?  10 ARG A HG3  11 
ATOM   2422 H HD2  . ARG A 1 10 ? -9.255  -1.205  0.136  1.00 75.31 ?  10 ARG A HD2  11 
ATOM   2423 H HD3  . ARG A 1 10 ? -8.105  -2.353  -0.548 1.00 15.42 ?  10 ARG A HD3  11 
ATOM   2424 H HE   . ARG A 1 10 ? -9.822  -3.829  -0.798 1.00 22.23 ?  10 ARG A HE   11 
ATOM   2425 H HH11 . ARG A 1 10 ? -10.724 -1.480  1.608  1.00 73.23 ?  10 ARG A HH11 11 
ATOM   2426 H HH12 . ARG A 1 10 ? -12.337 -2.086  1.782  1.00 55.15 ?  10 ARG A HH12 11 
ATOM   2427 H HH21 . ARG A 1 10 ? -11.944 -4.636  -0.577 1.00 54.34 ?  10 ARG A HH21 11 
ATOM   2428 H HH22 . ARG A 1 10 ? -13.030 -3.882  0.540  1.00 52.33 ?  10 ARG A HH22 11 
HETATM 2429 N N    . IYR A 1 11 ? -7.934  -4.914  4.491  1.00 4.14  ?  11 IYR A N    11 
HETATM 2430 C CA   . IYR A 1 11 ? -8.822  -5.013  5.647  1.00 0.21  ?  11 IYR A CA   11 
HETATM 2431 C CB   . IYR A 1 11 ? -9.102  -6.502  6.034  1.00 41.10 ?  11 IYR A CB   11 
HETATM 2432 C CC   . IYR A 1 11 ? -10.370 -7.046  5.411  1.00 75.23 ?  11 IYR A CC   11 
HETATM 2433 C CD   . IYR A 1 11 ? -10.563 -6.987  4.027  1.00 61.33 ?  11 IYR A CD   11 
HETATM 2434 C CE   . IYR A 1 11 ? -11.723 -7.496  3.445  1.00 42.44 ?  11 IYR A CE   11 
HETATM 2435 I IE   . IYR A 1 11 ? -11.966 -7.383  1.304  1.00 44.41 ?  11 IYR A IE   11 
HETATM 2436 C CF   . IYR A 1 11 ? -12.727 -8.084  4.224  1.00 74.31 ?  11 IYR A CF   11 
HETATM 2437 O OF   . IYR A 1 11 ? -13.909 -8.610  3.749  1.00 52.10 ?  11 IYR A OF   11 
HETATM 2438 C CG   . IYR A 1 11 ? -12.528 -8.140  5.614  1.00 73.43 ?  11 IYR A CG   11 
HETATM 2439 C CH   . IYR A 1 11 ? -11.374 -7.633  6.196  1.00 10.04 ?  11 IYR A CH   11 
HETATM 2440 C C    . IYR A 1 11 ? -8.072  -4.348  6.817  1.00 25.12 ?  11 IYR A C    11 
HETATM 2441 O O    . IYR A 1 11 ? -8.617  -3.485  7.505  1.00 74.52 ?  11 IYR A O    11 
HETATM 2442 H H    . IYR A 1 11 ? -7.680  -5.731  4.012  1.00 14.32 ?  11 IYR A H    11 
HETATM 2443 H HA   . IYR A 1 11 ? -9.758  -4.501  5.411  1.00 72.33 ?  11 IYR A HA   11 
HETATM 2444 H HB2  . IYR A 1 11 ? -8.238  -7.091  5.709  1.00 11.51 ?  11 IYR A HB2  11 
HETATM 2445 H HB3  . IYR A 1 11 ? -9.159  -6.567  7.127  1.00 60.32 ?  11 IYR A HB3  11 
HETATM 2446 H HD   . IYR A 1 11 ? -9.806  -6.530  3.398  1.00 22.10 ?  11 IYR A HD   11 
HETATM 2447 H HF   . IYR A 1 11 ? -14.448 -7.915  3.279  1.00 73.54 ?  11 IYR A HF   11 
HETATM 2448 H HG   . IYR A 1 11 ? -13.311 -8.590  6.212  1.00 11.24 ?  11 IYR A HG   11 
HETATM 2449 H HH   . IYR A 1 11 ? -11.249 -7.690  7.272  1.00 13.23 ?  11 IYR A HH   11 
ATOM   2450 N N    . GLN A 1 12 ? -6.827  -4.761  7.027  1.00 64.22 ?  12 GLN A N    11 
ATOM   2451 C CA   . GLN A 1 12 ? -6.010  -4.212  8.103  1.00 44.33 ?  12 GLN A CA   11 
ATOM   2452 C C    . GLN A 1 12 ? -5.578  -2.785  7.784  1.00 33.45 ?  12 GLN A C    11 
ATOM   2453 O O    . GLN A 1 12 ? -5.524  -1.928  8.666  1.00 13.21 ?  12 GLN A O    11 
ATOM   2454 C CB   . GLN A 1 12 ? -4.780  -5.090  8.338  1.00 31.21 ?  12 GLN A CB   11 
ATOM   2455 C CG   . GLN A 1 12 ? -5.118  -6.524  8.710  1.00 72.54 ?  12 GLN A CG   11 
ATOM   2456 C CD   . GLN A 1 12 ? -5.786  -6.633  10.066 1.00 2.41  ?  12 GLN A CD   11 
ATOM   2457 O OE1  . GLN A 1 12 ? -6.970  -6.953  10.164 1.00 4.14  ?  12 GLN A OE1  11 
ATOM   2458 N NE2  . GLN A 1 12 ? -5.027  -6.368  11.123 1.00 42.44 ?  12 GLN A NE2  11 
ATOM   2459 H H    . GLN A 1 12 ? -6.447  -5.452  6.445  1.00 63.03 ?  12 GLN A H    11 
ATOM   2460 H HA   . GLN A 1 12 ? -6.609  -4.201  9.000  1.00 74.14 ?  12 GLN A HA   11 
ATOM   2461 H HB2  . GLN A 1 12 ? -4.186  -5.104  7.437  1.00 65.51 ?  12 GLN A HB2  11 
ATOM   2462 H HB3  . GLN A 1 12 ? -4.194  -4.661  9.138  1.00 55.52 ?  12 GLN A HB3  11 
ATOM   2463 H HG2  . GLN A 1 12 ? -5.786  -6.928  7.964  1.00 33.31 ?  12 GLN A HG2  11 
ATOM   2464 H HG3  . GLN A 1 12 ? -4.206  -7.103  8.726  1.00 2.55  ?  12 GLN A HG3  11 
ATOM   2465 H HE21 . GLN A 1 12 ? -4.091  -6.119  10.969 1.00 20.44 ?  12 GLN A HE21 11 
ATOM   2466 H HE22 . GLN A 1 12 ? -5.432  -6.430  12.012 1.00 41.34 ?  12 GLN A HE22 11 
ATOM   2467 N N    . CYS A 1 13 ? -5.269  -2.535  6.515  1.00 25.25 ?  13 CYS A N    11 
ATOM   2468 C CA   . CYS A 1 13 ? -4.840  -1.212  6.078  1.00 24.34 ?  13 CYS A CA   11 
ATOM   2469 C C    . CYS A 1 13 ? -5.906  -0.165  6.387  1.00 61.23 ?  13 CYS A C    11 
ATOM   2470 O O    . CYS A 1 13 ? -5.591  0.981   6.707  1.00 1.13  ?  13 CYS A O    11 
ATOM   2471 C CB   . CYS A 1 13 ? -4.538  -1.221  4.578  1.00 11.44 ?  13 CYS A CB   11 
ATOM   2472 S SG   . CYS A 1 13 ? -3.602  0.231   3.999  1.00 70.22 ?  13 CYS A SG   11 
ATOM   2473 H H    . CYS A 1 13 ? -5.331  -3.259  5.856  1.00 70.11 ?  13 CYS A H    11 
ATOM   2474 H HA   . CYS A 1 13 ? -3.940  -0.960  6.616  1.00 71.43 ?  13 CYS A HA   11 
ATOM   2475 H HB2  . CYS A 1 13 ? -3.956  -2.101  4.341  1.00 64.53 ?  13 CYS A HB2  11 
ATOM   2476 H HB3  . CYS A 1 13 ? -5.468  -1.253  4.031  1.00 23.34 ?  13 CYS A HB3  11 
ATOM   2477 N N    . TYR A 1 14 ? -7.168  -0.567  6.287  1.00 22.23 ?  14 TYR A N    11 
ATOM   2478 C CA   . TYR A 1 14 ? -8.281  0.336   6.554  1.00 41.03 ?  14 TYR A CA   11 
ATOM   2479 C C    . TYR A 1 14 ? -9.341  -0.344  7.415  1.00 41.31 ?  14 TYR A C    11 
ATOM   2480 O O    . TYR A 1 14 ? -10.038 -1.253  6.962  1.00 14.42 ?  14 TYR A O    11 
ATOM   2481 C CB   . TYR A 1 14 ? -8.905  0.813   5.241  1.00 50.31 ?  14 TYR A CB   11 
ATOM   2482 C CG   . TYR A 1 14 ? -9.810  2.013   5.401  1.00 32.42 ?  14 TYR A CG   11 
ATOM   2483 C CD1  . TYR A 1 14 ? -9.426  3.099   6.177  1.00 72.15 ?  14 TYR A CD1  11 
ATOM   2484 C CD2  . TYR A 1 14 ? -11.049 2.061   4.773  1.00 25.42 ?  14 TYR A CD2  11 
ATOM   2485 C CE1  . TYR A 1 14 ? -10.250 4.197   6.326  1.00 24.03 ?  14 TYR A CE1  11 
ATOM   2486 C CE2  . TYR A 1 14 ? -11.879 3.157   4.916  1.00 41.21 ?  14 TYR A CE2  11 
ATOM   2487 C CZ   . TYR A 1 14 ? -11.476 4.222   5.694  1.00 60.41 ?  14 TYR A CZ   11 
ATOM   2488 O OH   . TYR A 1 14 ? -12.298 5.315   5.838  1.00 51.03 ?  14 TYR A OH   11 
ATOM   2489 H H    . TYR A 1 14 ? -7.356  -1.493  6.028  1.00 44.30 ?  14 TYR A H    11 
ATOM   2490 H HA   . TYR A 1 14 ? -7.894  1.191   7.088  1.00 0.44  ?  14 TYR A HA   11 
ATOM   2491 H HB2  . TYR A 1 14 ? -8.117  1.080   4.554  1.00 42.13 ?  14 TYR A HB2  11 
ATOM   2492 H HB3  . TYR A 1 14 ? -9.490  0.010   4.815  1.00 64.40 ?  14 TYR A HB3  11 
ATOM   2493 H HD1  . TYR A 1 14 ? -8.465  3.077   6.671  1.00 1.23  ?  14 TYR A HD1  11 
ATOM   2494 H HD2  . TYR A 1 14 ? -11.362 1.225   4.164  1.00 52.34 ?  14 TYR A HD2  11 
ATOM   2495 H HE1  . TYR A 1 14 ? -9.934  5.032   6.935  1.00 35.44 ?  14 TYR A HE1  11 
ATOM   2496 H HE2  . TYR A 1 14 ? -12.839 3.176   4.421  1.00 11.21 ?  14 TYR A HE2  11 
ATOM   2497 H HH   . TYR A 1 14 ? -12.992 5.283   5.176  1.00 34.25 ?  14 TYR A HH   11 
ATOM   2498 N N    . LYS A 1 15 ? -9.458  0.102   8.661  1.00 31.30 ?  15 LYS A N    11 
ATOM   2499 C CA   . LYS A 1 15 ? -10.433 -0.460  9.588  1.00 33.13 ?  15 LYS A CA   11 
ATOM   2500 C C    . LYS A 1 15 ? -11.842 0.020   9.253  1.00 75.54 ?  15 LYS A C    11 
ATOM   2501 O O    . LYS A 1 15 ? -12.023 0.916   8.429  1.00 12.22 ?  15 LYS A O    11 
ATOM   2502 C CB   . LYS A 1 15 ? -10.081 -0.077  11.027 1.00 23.42 ?  15 LYS A CB   11 
ATOM   2503 C CG   . LYS A 1 15 ? -10.039 1.424   11.263 1.00 42.22 ?  15 LYS A CG   11 
ATOM   2504 C CD   . LYS A 1 15 ? -9.921  1.751   12.743 1.00 3.15  ?  15 LYS A CD   11 
ATOM   2505 C CE   . LYS A 1 15 ? -9.253  3.100   12.963 1.00 5.10  ?  15 LYS A CE   11 
ATOM   2506 N NZ   . LYS A 1 15 ? -7.770  2.980   13.024 1.00 24.11 1  15 LYS A NZ   11 
ATOM   2507 H H    . LYS A 1 15 ? -8.874  0.829   8.965  1.00 14.13 ?  15 LYS A H    11 
ATOM   2508 H HA   . LYS A 1 15 ? -10.400 -1.535  9.492  1.00 62.33 ?  15 LYS A HA   11 
ATOM   2509 H HB2  . LYS A 1 15 ? -10.816 -0.505  11.691 1.00 40.30 ?  15 LYS A HB2  11 
ATOM   2510 H HB3  . LYS A 1 15 ? -9.109  -0.484  11.267 1.00 33.21 ?  15 LYS A HB3  11 
ATOM   2511 H HG2  . LYS A 1 15 ? -9.188  1.838   10.745 1.00 44.53 ?  15 LYS A HG2  11 
ATOM   2512 H HG3  . LYS A 1 15 ? -10.948 1.864   10.877 1.00 11.25 ?  15 LYS A HG3  11 
ATOM   2513 H HD2  . LYS A 1 15 ? -10.909 1.777   13.177 1.00 72.23 ?  15 LYS A HD2  11 
ATOM   2514 H HD3  . LYS A 1 15 ? -9.332  0.984   13.227 1.00 53.42 ?  15 LYS A HD3  11 
ATOM   2515 H HE2  . LYS A 1 15 ? -9.519  3.756   12.148 1.00 34.30 ?  15 LYS A HE2  11 
ATOM   2516 H HE3  . LYS A 1 15 ? -9.611  3.516   13.892 1.00 22.05 ?  15 LYS A HE3  11 
ATOM   2517 H HZ1  . LYS A 1 15 ? -7.326  3.869   12.714 1.00 60.33 ?  15 LYS A HZ1  11 
ATOM   2518 H HZ2  . LYS A 1 15 ? -7.467  2.776   13.999 1.00 62.45 ?  15 LYS A HZ2  11 
ATOM   2519 H HZ3  . LYS A 1 15 ? -7.447  2.210   12.404 1.00 41.22 ?  15 LYS A HZ3  11 
HETATM 2520 N N    . PCA A 1 1  ? 3.038   -0.636  -4.407 1.00 11.13 ?  1  PCA A N    12 
HETATM 2521 C CA   . PCA A 1 1  ? 3.656   -1.986  -4.309 1.00 24.44 ?  1  PCA A CA   12 
HETATM 2522 C CB   . PCA A 1 1  ? 5.008   -1.790  -5.018 1.00 44.42 ?  1  PCA A CB   12 
HETATM 2523 C CG   . PCA A 1 1  ? 5.358   -0.322  -4.753 1.00 33.24 ?  1  PCA A CG   12 
HETATM 2524 C CD   . PCA A 1 1  ? 4.017   0.371   -4.602 1.00 11.24 ?  1  PCA A CD   12 
HETATM 2525 O OE   . PCA A 1 1  ? 3.799   1.566   -4.624 1.00 22.43 ?  1  PCA A OE   12 
HETATM 2526 C C    . PCA A 1 1  ? 3.816   -2.431  -2.834 1.00 35.00 ?  1  PCA A C    12 
HETATM 2527 O O    . PCA A 1 1  ? 4.915   -2.399  -2.282 1.00 53.44 ?  1  PCA A O    12 
HETATM 2528 H HA   . PCA A 1 1  ? 3.004   -2.697  -4.822 1.00 63.24 ?  1  PCA A HA   12 
HETATM 2529 H HB2  . PCA A 1 1  ? 5.757   -2.486  -4.635 1.00 51.22 ?  1  PCA A HB2  12 
HETATM 2530 H HB3  . PCA A 1 1  ? 4.879   -1.964  -6.088 1.00 62.35 ?  1  PCA A HB3  12 
HETATM 2531 H HG2  . PCA A 1 1  ? 5.908   -0.199  -3.814 1.00 32.34 ?  1  PCA A HG2  12 
HETATM 2532 H HG3  . PCA A 1 1  ? 5.938   0.163   -5.547 1.00 1.32  ?  1  PCA A HG3  12 
ATOM   2533 N N    . GLY A 1 2  ? 2.710   -2.843  -2.222 1.00 41.40 ?  2  GLY A N    12 
ATOM   2534 C CA   . GLY A 1 2  ? 2.747   -3.283  -0.839 1.00 31.12 ?  2  GLY A CA   12 
ATOM   2535 C C    . GLY A 1 2  ? 1.551   -4.136  -0.469 1.00 64.33 ?  2  GLY A C    12 
ATOM   2536 O O    . GLY A 1 2  ? 0.701   -4.427  -1.313 1.00 60.30 ?  2  GLY A O    12 
ATOM   2537 H H    . GLY A 1 2  ? 1.862   -2.848  -2.712 1.00 2.33  ?  2  GLY A H    12 
ATOM   2538 H HA2  . GLY A 1 2  ? 3.648   -3.856  -0.680 1.00 1.55  ?  2  GLY A HA2  12 
ATOM   2539 H HA3  . GLY A 1 2  ? 2.767   -2.413  -0.198 1.00 61.12 ?  2  GLY A HA3  12 
ATOM   2540 N N    . CYS A 1 3  ? 1.482   -4.539  0.794  1.00 5.34  ?  3  CYS A N    12 
ATOM   2541 C CA   . CYS A 1 3  ? 0.381   -5.367  1.275  1.00 74.31 ?  3  CYS A CA   12 
ATOM   2542 C C    . CYS A 1 3  ? -0.935  -4.595  1.237  1.00 50.31 ?  3  CYS A C    12 
ATOM   2543 O O    . CYS A 1 3  ? -1.987  -5.157  0.931  1.00 54.34 ?  3  CYS A O    12 
ATOM   2544 C CB   . CYS A 1 3  ? 0.662   -5.848  2.700  1.00 62.42 ?  3  CYS A CB   12 
ATOM   2545 S SG   . CYS A 1 3  ? 0.037   -7.522  3.056  1.00 34.43 ?  3  CYS A SG   12 
ATOM   2546 H H    . CYS A 1 3  ? 2.189   -4.275  1.421  1.00 52.12 ?  3  CYS A H    12 
ATOM   2547 H HA   . CYS A 1 3  ? 0.301   -6.224  0.624  1.00 31.55 ?  3  CYS A HA   12 
ATOM   2548 H HB2  . CYS A 1 3  ? 1.730   -5.855  2.866  1.00 65.14 ?  3  CYS A HB2  12 
ATOM   2549 H HB3  . CYS A 1 3  ? 0.198   -5.169  3.399  1.00 35.30 ?  3  CYS A HB3  12 
ATOM   2550 N N    . CYS A 1 4  ? -0.869  -3.306  1.550  1.00 4.35  ?  4  CYS A N    12 
ATOM   2551 C CA   . CYS A 1 4  ? -2.053  -2.457  1.552  1.00 71.11 ?  4  CYS A CA   12 
ATOM   2552 C C    . CYS A 1 4  ? -2.794  -2.553  0.222  1.00 22.25 ?  4  CYS A C    12 
ATOM   2553 O O    . CYS A 1 4  ? -4.016  -2.403  0.165  1.00 50.41 ?  4  CYS A O    12 
ATOM   2554 C CB   . CYS A 1 4  ? -1.665  -1.003  1.827  1.00 32.54 ?  4  CYS A CB   12 
ATOM   2555 S SG   . CYS A 1 4  ? -1.740  -0.533  3.586  1.00 53.23 ?  4  CYS A SG   12 
ATOM   2556 H H    . CYS A 1 4  ? -0.000  -2.915  1.786  1.00 63.22 ?  4  CYS A H    12 
ATOM   2557 H HA   . CYS A 1 4  ? -2.707  -2.801  2.339  1.00 41.04 ?  4  CYS A HA   12 
ATOM   2558 H HB2  . CYS A 1 4  ? -0.652  -0.839  1.487  1.00 64.22 ?  4  CYS A HB2  12 
ATOM   2559 H HB3  . CYS A 1 4  ? -2.330  -0.350  1.282  1.00 55.24 ?  4  CYS A HB3  12 
ATOM   2560 N N    . THR A 1 5  ? -2.047  -2.805  -0.848 1.00 33.14 ?  5  THR A N    12 
ATOM   2561 C CA   . THR A 1 5  ? -2.631  -2.921  -2.179 1.00 53.20 ?  5  THR A CA   12 
ATOM   2562 C C    . THR A 1 5  ? -3.474  -4.185  -2.301 1.00 2.14  ?  5  THR A C    12 
ATOM   2563 O O    . THR A 1 5  ? -4.454  -4.221  -3.046 1.00 45.33 ?  5  THR A O    12 
ATOM   2564 C CB   . THR A 1 5  ? -1.545  -2.935  -3.271 1.00 34.35 ?  5  THR A CB   12 
ATOM   2565 O OG1  . THR A 1 5  ? -0.775  -1.729  -3.211 1.00 72.22 ?  5  THR A OG1  12 
ATOM   2566 C CG2  . THR A 1 5  ? -2.167  -3.079  -4.651 1.00 23.04 ?  5  THR A CG2  12 
ATOM   2567 H H    . THR A 1 5  ? -1.080  -2.914  -0.740 1.00 60.31 ?  5  THR A H    12 
ATOM   2568 H HA   . THR A 1 5  ? -3.264  -2.061  -2.341 1.00 24.12 ?  5  THR A HA   12 
ATOM   2569 H HB   . THR A 1 5  ? -0.891  -3.779  -3.097 1.00 23.31 ?  5  THR A HB   12 
ATOM   2570 H HG1  . THR A 1 5  ? 0.067   -1.907  -2.786 1.00 50.44 ?  5  THR A HG1  12 
ATOM   2571 H HG21 . THR A 1 5  ? -2.709  -4.011  -4.707 1.00 45.03 ?  5  THR A HG21 12 
ATOM   2572 H HG22 . THR A 1 5  ? -2.845  -2.257  -4.828 1.00 42.20 ?  5  THR A HG22 12 
ATOM   2573 H HG23 . THR A 1 5  ? -1.388  -3.069  -5.400 1.00 23.13 ?  5  THR A HG23 12 
ATOM   2574 N N    . ASP A 1 6  ? -3.089  -5.221  -1.564 1.00 3.10  ?  6  ASP A N    12 
ATOM   2575 C CA   . ASP A 1 6  ? -3.810  -6.488  -1.589 1.00 50.31 ?  6  ASP A CA   12 
ATOM   2576 C C    . ASP A 1 6  ? -5.119  -6.383  -0.813 1.00 20.41 ?  6  ASP A C    12 
ATOM   2577 O O    . ASP A 1 6  ? -5.251  -5.598  0.127  1.00 44.31 ?  6  ASP A O    12 
ATOM   2578 C CB   . ASP A 1 6  ? -2.944  -7.605  -1.004 1.00 73.24 ?  6  ASP A CB   12 
ATOM   2579 C CG   . ASP A 1 6  ? -1.514  -7.552  -1.505 1.00 24.01 ?  6  ASP A CG   12 
ATOM   2580 O OD1  . ASP A 1 6  ? -0.609  -7.986  -0.763 1.00 3.32  ?  6  ASP A OD1  12 
ATOM   2581 O OD2  . ASP A 1 6  ? -1.301  -7.076  -2.640 1.00 15.43 -1 6  ASP A OD2  12 
ATOM   2582 H H    . ASP A 1 6  ? -2.299  -5.132  -0.990 1.00 22.03 ?  6  ASP A H    12 
ATOM   2583 H HA   . ASP A 1 6  ? -4.035  -6.723  -2.619 1.00 52.23 ?  6  ASP A HA   12 
ATOM   2584 H HB2  . ASP A 1 6  ? -2.932  -7.515  0.073  1.00 62.22 ?  6  ASP A HB2  12 
ATOM   2585 H HB3  . ASP A 1 6  ? -3.368  -8.560  -1.276 1.00 75.25 ?  6  ASP A HB3  12 
ATOM   2586 N N    . PRO A 1 7  ? -6.112  -7.191  -1.214 1.00 4.05  ?  7  PRO A N    12 
ATOM   2587 C CA   . PRO A 1 7  ? -7.429  -7.207  -0.569 1.00 44.51 ?  7  PRO A CA   12 
ATOM   2588 C C    . PRO A 1 7  ? -7.380  -7.800  0.834  1.00 2.22  ?  7  PRO A C    12 
ATOM   2589 O O    . PRO A 1 7  ? -7.958  -7.250  1.772  1.00 33.15 ?  7  PRO A O    12 
ATOM   2590 C CB   . PRO A 1 7  ? -8.266  -8.092  -1.496 1.00 22.34 ?  7  PRO A CB   12 
ATOM   2591 C CG   . PRO A 1 7  ? -7.275  -8.973  -2.175 1.00 41.54 ?  7  PRO A CG   12 
ATOM   2592 C CD   . PRO A 1 7  ? -6.025  -8.152  -2.326 1.00 33.00 ?  7  PRO A CD   12 
ATOM   2593 H HA   . PRO A 1 7  ? -7.861  -6.217  -0.525 1.00 64.43 ?  7  PRO A HA   12 
ATOM   2594 H HB2  . PRO A 1 7  ? -8.970  -8.666  -0.910 1.00 50.11 ?  7  PRO A HB2  12 
ATOM   2595 H HB3  . PRO A 1 7  ? -8.798  -7.475  -2.206 1.00 12.35 ?  7  PRO A HB3  12 
ATOM   2596 H HG2  . PRO A 1 7  ? -7.082  -9.843  -1.567 1.00 2.22  ?  7  PRO A HG2  12 
ATOM   2597 H HG3  . PRO A 1 7  ? -7.651  -9.266  -3.145 1.00 75.12 ?  7  PRO A HG3  12 
ATOM   2598 H HD2  . PRO A 1 7  ? -5.149  -8.776  -2.229 1.00 2.45  ?  7  PRO A HD2  12 
ATOM   2599 H HD3  . PRO A 1 7  ? -6.023  -7.639  -3.277 1.00 65.12 ?  7  PRO A HD3  12 
ATOM   2600 N N    . ARG A 1 8  ? -6.686  -8.926  0.972  1.00 31.05 ?  8  ARG A N    12 
ATOM   2601 C CA   . ARG A 1 8  ? -6.564  -9.594  2.262  1.00 53.43 ?  8  ARG A CA   12 
ATOM   2602 C C    . ARG A 1 8  ? -5.937  -8.666  3.298  1.00 65.42 ?  8  ARG A C    12 
ATOM   2603 O O    . ARG A 1 8  ? -6.298  -8.697  4.475  1.00 24.44 ?  8  ARG A O    12 
ATOM   2604 C CB   . ARG A 1 8  ? -5.721  -10.864 2.124  1.00 63.11 ?  8  ARG A CB   12 
ATOM   2605 C CG   . ARG A 1 8  ? -4.296  -10.602 1.668  1.00 71.54 ?  8  ARG A CG   12 
ATOM   2606 C CD   . ARG A 1 8  ? -3.572  -11.897 1.331  1.00 24.33 ?  8  ARG A CD   12 
ATOM   2607 N NE   . ARG A 1 8  ? -3.869  -12.353 -0.024 1.00 70.34 ?  8  ARG A NE   12 
ATOM   2608 C CZ   . ARG A 1 8  ? -3.533  -13.552 -0.486 1.00 35.53 ?  8  ARG A CZ   12 
ATOM   2609 N NH1  . ARG A 1 8  ? -2.896  -14.412 0.295  1.00 63.04 1  8  ARG A NH1  12 
ATOM   2610 N NH2  . ARG A 1 8  ? -3.838  -13.895 -1.731 1.00 10.15 ?  8  ARG A NH2  12 
ATOM   2611 H H    . ARG A 1 8  ? -6.247  -9.316  0.188  1.00 64.21 ?  8  ARG A H    12 
ATOM   2612 H HA   . ARG A 1 8  ? -7.555  -9.865  2.591  1.00 73.52 ?  8  ARG A HA   12 
ATOM   2613 H HB2  . ARG A 1 8  ? -5.684  -11.363 3.081  1.00 61.45 ?  8  ARG A HB2  12 
ATOM   2614 H HB3  . ARG A 1 8  ? -6.193  -11.517 1.405  1.00 40.11 ?  8  ARG A HB3  12 
ATOM   2615 H HG2  . ARG A 1 8  ? -4.318  -9.976  0.788  1.00 53.32 ?  8  ARG A HG2  12 
ATOM   2616 H HG3  . ARG A 1 8  ? -3.761  -10.097 2.458  1.00 30.32 ?  8  ARG A HG3  12 
ATOM   2617 H HD2  . ARG A 1 8  ? -2.508  -11.733 1.421  1.00 53.54 ?  8  ARG A HD2  12 
ATOM   2618 H HD3  . ARG A 1 8  ? -3.880  -12.658 2.033  1.00 33.33 ?  8  ARG A HD3  12 
ATOM   2619 H HE   . ARG A 1 8  ? -4.340  -11.733 -0.619 1.00 23.04 ?  8  ARG A HE   12 
ATOM   2620 H HH11 . ARG A 1 8  ? -2.666  -14.158 1.235  1.00 14.24 ?  8  ARG A HH11 12 
ATOM   2621 H HH12 . ARG A 1 8  ? -2.645  -15.316 -0.054 1.00 53.33 ?  8  ARG A HH12 12 
ATOM   2622 H HH21 . ARG A 1 8  ? -4.319  -13.249 -2.323 1.00 72.15 ?  8  ARG A HH21 12 
ATOM   2623 H HH22 . ARG A 1 8  ? -3.585  -14.797 -2.078 1.00 51.31 ?  8  ARG A HH22 12 
ATOM   2624 N N    . CYS A 1 9  ? -4.996  -7.840  2.853  1.00 23.53 ?  9  CYS A N    12 
ATOM   2625 C CA   . CYS A 1 9  ? -4.317  -6.903  3.740  1.00 21.11 ?  9  CYS A CA   12 
ATOM   2626 C C    . CYS A 1 9  ? -5.097  -5.595  3.848  1.00 22.01 ?  9  CYS A C    12 
ATOM   2627 O O    . CYS A 1 9  ? -5.072  -4.930  4.885  1.00 24.12 ?  9  CYS A O    12 
ATOM   2628 C CB   . CYS A 1 9  ? -2.901  -6.624  3.234  1.00 13.23 ?  9  CYS A CB   12 
ATOM   2629 S SG   . CYS A 1 9  ? -1.585  -7.208  4.350  1.00 54.11 ?  9  CYS A SG   12 
ATOM   2630 H H    . CYS A 1 9  ? -4.752  -7.861  1.903  1.00 40.33 ?  9  CYS A H    12 
ATOM   2631 H HA   . CYS A 1 9  ? -4.259  -7.355  4.718  1.00 20.44 ?  9  CYS A HA   12 
ATOM   2632 H HB2  . CYS A 1 9  ? -2.764  -7.113  2.281  1.00 24.41 ?  9  CYS A HB2  12 
ATOM   2633 H HB3  . CYS A 1 9  ? -2.776  -5.558  3.106  1.00 71.44 ?  9  CYS A HB3  12 
ATOM   2634 N N    . ARG A 1 10 ? -5.790  -5.234  2.773  1.00 3.34  ?  10 ARG A N    12 
ATOM   2635 C CA   . ARG A 1 10 ? -6.576  -4.006  2.747  1.00 22.50 ?  10 ARG A CA   12 
ATOM   2636 C C    . ARG A 1 10 ? -7.498  -3.926  3.961  1.00 41.43 ?  10 ARG A C    12 
ATOM   2637 O O    . ARG A 1 10 ? -7.749  -2.845  4.491  1.00 53.40 ?  10 ARG A O    12 
ATOM   2638 C CB   . ARG A 1 10 ? -7.400  -3.931  1.462  1.00 31.33 ?  10 ARG A CB   12 
ATOM   2639 C CG   . ARG A 1 10 ? -8.456  -2.837  1.478  1.00 21.23 ?  10 ARG A CG   12 
ATOM   2640 C CD   . ARG A 1 10 ? -9.842  -3.404  1.742  1.00 41.14 ?  10 ARG A CD   12 
ATOM   2641 N NE   . ARG A 1 10 ? -10.704 -2.445  2.428  1.00 43.11 ?  10 ARG A NE   12 
ATOM   2642 C CZ   . ARG A 1 10 ? -11.319 -1.441  1.815  1.00 63.03 ?  10 ARG A CZ   12 
ATOM   2643 N NH1  . ARG A 1 10 ? -11.169 -1.266  0.509  1.00 13.21 1  10 ARG A NH1  12 
ATOM   2644 N NH2  . ARG A 1 10 ? -12.089 -0.610  2.506  1.00 73.00 ?  10 ARG A NH2  12 
ATOM   2645 H H    . ARG A 1 10 ? -5.771  -5.806  1.978  1.00 4.50  ?  10 ARG A H    12 
ATOM   2646 H HA   . ARG A 1 10 ? -5.891  -3.172  2.775  1.00 22.35 ?  10 ARG A HA   12 
ATOM   2647 H HB2  . ARG A 1 10 ? -6.735  -3.745  0.632  1.00 62.12 ?  10 ARG A HB2  12 
ATOM   2648 H HB3  . ARG A 1 10 ? -7.896  -4.878  1.310  1.00 64.12 ?  10 ARG A HB3  12 
ATOM   2649 H HG2  . ARG A 1 10 ? -8.215  -2.128  2.257  1.00 70.13 ?  10 ARG A HG2  12 
ATOM   2650 H HG3  . ARG A 1 10 ? -8.457  -2.337  0.522  1.00 3.04  ?  10 ARG A HG3  12 
ATOM   2651 H HD2  . ARG A 1 10 ? -10.294 -3.670  0.798  1.00 75.31 ?  10 ARG A HD2  12 
ATOM   2652 H HD3  . ARG A 1 10 ? -9.743  -4.288  2.355  1.00 15.42 ?  10 ARG A HD3  12 
ATOM   2653 H HE   . ARG A 1 10 ? -10.830 -2.557  3.393  1.00 22.23 ?  10 ARG A HE   12 
ATOM   2654 H HH11 . ARG A 1 10 ? -10.592 -1.890  -0.016 1.00 73.23 ?  10 ARG A HH11 12 
ATOM   2655 H HH12 . ARG A 1 10 ? -11.634 -0.509  0.049  1.00 55.15 ?  10 ARG A HH12 12 
ATOM   2656 H HH21 . ARG A 1 10 ? -12.205 -0.740  3.491  1.00 54.34 ?  10 ARG A HH21 12 
ATOM   2657 H HH22 . ARG A 1 10 ? -12.551 0.145   2.044  1.00 52.33 ?  10 ARG A HH22 12 
HETATM 2658 N N    . IYR A 1 11 ? -7.998  -5.078  4.395  1.00 4.14  ?  11 IYR A N    12 
HETATM 2659 C CA   . IYR A 1 11 ? -8.895  -5.137  5.548  1.00 0.21  ?  11 IYR A CA   12 
HETATM 2660 C CB   . IYR A 1 11 ? -9.220  -6.613  5.951  1.00 41.10 ?  11 IYR A CB   12 
HETATM 2661 C CC   . IYR A 1 11 ? -10.399 -7.185  5.192  1.00 75.23 ?  11 IYR A CC   12 
HETATM 2662 C CD   . IYR A 1 11 ? -10.435 -7.137  3.794  1.00 61.33 ?  11 IYR A CD   12 
HETATM 2663 C CE   . IYR A 1 11 ? -11.511 -7.672  3.088  1.00 42.44 ?  11 IYR A CE   12 
HETATM 2664 I IE   . IYR A 1 11 ? -11.515 -7.574  0.933  1.00 44.41 ?  11 IYR A IE   12 
HETATM 2665 C CF   . IYR A 1 11 ? -12.585 -8.277  3.754  1.00 74.31 ?  11 IYR A CF   12 
HETATM 2666 O OF   . IYR A 1 11 ? -13.695 -8.830  3.152  1.00 52.10 ?  11 IYR A OF   12 
HETATM 2667 C CG   . IYR A 1 11 ? -12.543 -8.323  5.157  1.00 73.43 ?  11 IYR A CG   12 
HETATM 2668 C CH   . IYR A 1 11 ? -11.473 -7.791  5.863  1.00 10.04 ?  11 IYR A CH   12 
HETATM 2669 C C    . IYR A 1 11 ? -8.131  -4.481  6.715  1.00 25.12 ?  11 IYR A C    12 
HETATM 2670 O O    . IYR A 1 11 ? -8.658  -3.601  7.395  1.00 74.52 ?  11 IYR A O    12 
HETATM 2671 H H    . IYR A 1 11 ? -7.760  -5.907  3.931  1.00 14.32 ?  11 IYR A H    12 
HETATM 2672 H HA   . IYR A 1 11 ? -9.814  -4.601  5.302  1.00 72.33 ?  11 IYR A HA   12 
HETATM 2673 H HB2  . IYR A 1 11 ? -8.321  -7.208  5.757  1.00 11.51 ?  11 IYR A HB2  12 
HETATM 2674 H HB3  . IYR A 1 11 ? -9.414  -6.639  7.028  1.00 60.32 ?  11 IYR A HB3  12 
HETATM 2675 H HD   . IYR A 1 11 ? -9.622  -6.668  3.252  1.00 22.10 ?  11 IYR A HD   12 
HETATM 2676 H HF   . IYR A 1 11 ? -13.777 -8.530  2.205  1.00 73.54 ?  11 IYR A HF   12 
HETATM 2677 H HG   . IYR A 1 11 ? -13.379 -8.787  5.666  1.00 11.24 ?  11 IYR A HG   12 
HETATM 2678 H HH   . IYR A 1 11 ? -11.468 -7.840  6.946  1.00 13.23 ?  11 IYR A HH   12 
ATOM   2679 N N    . GLN A 1 12 ? -6.896  -4.921  6.930  1.00 64.22 ?  12 GLN A N    12 
ATOM   2680 C CA   . GLN A 1 12 ? -6.068  -4.383  8.002  1.00 44.33 ?  12 GLN A CA   12 
ATOM   2681 C C    . GLN A 1 12 ? -5.654  -2.946  7.701  1.00 33.45 ?  12 GLN A C    12 
ATOM   2682 O O    . GLN A 1 12 ? -5.633  -2.096  8.592  1.00 13.21 ?  12 GLN A O    12 
ATOM   2683 C CB   . GLN A 1 12 ? -4.827  -5.252  8.203  1.00 31.21 ?  12 GLN A CB   12 
ATOM   2684 C CG   . GLN A 1 12 ? -4.149  -5.043  9.548  1.00 72.54 ?  12 GLN A CG   12 
ATOM   2685 C CD   . GLN A 1 12 ? -3.272  -6.214  9.947  1.00 2.41  ?  12 GLN A CD   12 
ATOM   2686 O OE1  . GLN A 1 12 ? -3.322  -7.280  9.334  1.00 4.14  ?  12 GLN A OE1  12 
ATOM   2687 N NE2  . GLN A 1 12 ? -2.461  -6.020  10.981 1.00 42.44 ?  12 GLN A NE2  12 
ATOM   2688 H H    . GLN A 1 12 ? -6.533  -5.625  6.353  1.00 63.03 ?  12 GLN A H    12 
ATOM   2689 H HA   . GLN A 1 12 ? -6.655  -4.393  8.909  1.00 74.14 ?  12 GLN A HA   12 
ATOM   2690 H HB2  . GLN A 1 12 ? -5.113  -6.291  8.126  1.00 65.51 ?  12 GLN A HB2  12 
ATOM   2691 H HB3  . GLN A 1 12 ? -4.113  -5.026  7.425  1.00 55.52 ?  12 GLN A HB3  12 
ATOM   2692 H HG2  . GLN A 1 12 ? -3.535  -4.157  9.493  1.00 33.31 ?  12 GLN A HG2  12 
ATOM   2693 H HG3  . GLN A 1 12 ? -4.909  -4.907  10.302 1.00 2.55  ?  12 GLN A HG3  12 
ATOM   2694 H HE21 . GLN A 1 12 ? -2.476  -5.145  11.423 1.00 20.44 ?  12 GLN A HE21 12 
ATOM   2695 H HE22 . GLN A 1 12 ? -1.884  -6.760  11.261 1.00 41.34 ?  12 GLN A HE22 12 
ATOM   2696 N N    . CYS A 1 13 ? -5.327  -2.682  6.442  1.00 25.25 ?  13 CYS A N    12 
ATOM   2697 C CA   . CYS A 1 13 ? -4.912  -1.348  6.022  1.00 24.34 ?  13 CYS A CA   12 
ATOM   2698 C C    . CYS A 1 13 ? -6.002  -0.322  6.319  1.00 61.23 ?  13 CYS A C    12 
ATOM   2699 O O    . CYS A 1 13 ? -5.711  0.827   6.654  1.00 1.13  ?  13 CYS A O    12 
ATOM   2700 C CB   . CYS A 1 13 ? -4.581  -1.340  4.529  1.00 11.44 ?  13 CYS A CB   12 
ATOM   2701 S SG   . CYS A 1 13 ? -3.594  0.094   3.993  1.00 70.22 ?  13 CYS A SG   12 
ATOM   2702 H H    . CYS A 1 13 ? -5.364  -3.401  5.776  1.00 70.11 ?  13 CYS A H    12 
ATOM   2703 H HA   . CYS A 1 13 ? -4.025  -1.085  6.580  1.00 71.43 ?  13 CYS A HA   12 
ATOM   2704 H HB2  . CYS A 1 13 ? -4.022  -2.232  4.287  1.00 64.53 ?  13 CYS A HB2  12 
ATOM   2705 H HB3  . CYS A 1 13 ? -5.502  -1.336  3.964  1.00 23.34 ?  13 CYS A HB3  12 
ATOM   2706 N N    . TYR A 1 14 ? -7.254  -0.745  6.193  1.00 22.23 ?  14 TYR A N    12 
ATOM   2707 C CA   . TYR A 1 14 ? -8.387  0.139   6.445  1.00 41.03 ?  14 TYR A CA   12 
ATOM   2708 C C    . TYR A 1 14 ? -8.834  0.049   7.902  1.00 41.31 ?  14 TYR A C    12 
ATOM   2709 O O    . TYR A 1 14 ? -8.868  -1.033  8.489  1.00 14.42 ?  14 TYR A O    12 
ATOM   2710 C CB   . TYR A 1 14 ? -9.553  -0.216  5.520  1.00 50.31 ?  14 TYR A CB   12 
ATOM   2711 C CG   . TYR A 1 14 ? -10.531 0.918   5.317  1.00 32.42 ?  14 TYR A CG   12 
ATOM   2712 C CD1  . TYR A 1 14 ? -10.203 2.011   4.524  1.00 72.15 ?  14 TYR A CD1  12 
ATOM   2713 C CD2  . TYR A 1 14 ? -11.784 0.898   5.919  1.00 25.42 ?  14 TYR A CD2  12 
ATOM   2714 C CE1  . TYR A 1 14 ? -11.094 3.050   4.336  1.00 24.03 ?  14 TYR A CE1  12 
ATOM   2715 C CE2  . TYR A 1 14 ? -12.681 1.931   5.735  1.00 41.21 ?  14 TYR A CE2  12 
ATOM   2716 C CZ   . TYR A 1 14 ? -12.332 3.005   4.944  1.00 60.41 ?  14 TYR A CZ   12 
ATOM   2717 O OH   . TYR A 1 14 ? -13.222 4.038   4.759  1.00 51.03 ?  14 TYR A OH   12 
ATOM   2718 H H    . TYR A 1 14 ? -7.422  -1.671  5.923  1.00 44.30 ?  14 TYR A H    12 
ATOM   2719 H HA   . TYR A 1 14 ? -8.072  1.151   6.239  1.00 0.44  ?  14 TYR A HA   12 
ATOM   2720 H HB2  . TYR A 1 14 ? -9.164  -0.495  4.554  1.00 42.13 ?  14 TYR A HB2  12 
ATOM   2721 H HB3  . TYR A 1 14 ? -10.095 -1.051  5.939  1.00 64.40 ?  14 TYR A HB3  12 
ATOM   2722 H HD1  . TYR A 1 14 ? -9.232  2.042   4.051  1.00 1.23  ?  14 TYR A HD1  12 
ATOM   2723 H HD2  . TYR A 1 14 ? -12.054 0.055   6.539  1.00 52.34 ?  14 TYR A HD2  12 
ATOM   2724 H HE1  . TYR A 1 14 ? -10.820 3.891   3.716  1.00 35.44 ?  14 TYR A HE1  12 
ATOM   2725 H HE2  . TYR A 1 14 ? -13.651 1.897   6.210  1.00 11.21 ?  14 TYR A HE2  12 
ATOM   2726 H HH   . TYR A 1 14 ? -12.765 4.791   4.376  1.00 34.25 ?  14 TYR A HH   12 
ATOM   2727 N N    . LYS A 1 15 ? -9.177  1.195   8.480  1.00 31.30 ?  15 LYS A N    12 
ATOM   2728 C CA   . LYS A 1 15 ? -9.623  1.249   9.866  1.00 33.13 ?  15 LYS A CA   12 
ATOM   2729 C C    . LYS A 1 15 ? -10.812 0.322   10.092 1.00 75.54 ?  15 LYS A C    12 
ATOM   2730 O O    . LYS A 1 15 ? -11.432 0.337   11.156 1.00 12.22 ?  15 LYS A O    12 
ATOM   2731 C CB   . LYS A 1 15 ? -10.002 2.683   10.246 1.00 23.42 ?  15 LYS A CB   12 
ATOM   2732 C CG   . LYS A 1 15 ? -8.809  3.616   10.366 1.00 42.22 ?  15 LYS A CG   12 
ATOM   2733 C CD   . LYS A 1 15 ? -8.025  3.357   11.641 1.00 3.15  ?  15 LYS A CD   12 
ATOM   2734 C CE   . LYS A 1 15 ? -6.572  3.788   11.499 1.00 5.10  ?  15 LYS A CE   12 
ATOM   2735 N NZ   . LYS A 1 15 ? -5.882  3.855   12.816 1.00 24.11 1  15 LYS A NZ   12 
ATOM   2736 H H    . LYS A 1 15 ? -9.129  2.025   7.960  1.00 14.13 ?  15 LYS A H    12 
ATOM   2737 H HA   . LYS A 1 15 ? -8.806  0.925   10.492 1.00 62.33 ?  15 LYS A HA   12 
ATOM   2738 H HB2  . LYS A 1 15 ? -10.668 3.078   9.493  1.00 40.30 ?  15 LYS A HB2  12 
ATOM   2739 H HB3  . LYS A 1 15 ? -10.517 2.666   11.196 1.00 33.21 ?  15 LYS A HB3  12 
ATOM   2740 H HG2  . LYS A 1 15 ? -8.158  3.464   9.518  1.00 44.53 ?  15 LYS A HG2  12 
ATOM   2741 H HG3  . LYS A 1 15 ? -9.162  4.637   10.373 1.00 11.25 ?  15 LYS A HG3  12 
ATOM   2742 H HD2  . LYS A 1 15 ? -8.475  3.910   12.451 1.00 72.23 ?  15 LYS A HD2  12 
ATOM   2743 H HD3  . LYS A 1 15 ? -8.056  2.299   11.863 1.00 53.42 ?  15 LYS A HD3  12 
ATOM   2744 H HE2  . LYS A 1 15 ? -6.059  3.078   10.869 1.00 34.30 ?  15 LYS A HE2  12 
ATOM   2745 H HE3  . LYS A 1 15 ? -6.544  4.765   11.037 1.00 22.05 ?  15 LYS A HE3  12 
ATOM   2746 H HZ1  . LYS A 1 15 ? -6.253  4.652   13.373 1.00 60.33 ?  15 LYS A HZ1  12 
ATOM   2747 H HZ2  . LYS A 1 15 ? -6.038  2.974   13.346 1.00 62.45 ?  15 LYS A HZ2  12 
ATOM   2748 H HZ3  . LYS A 1 15 ? -4.861  3.988   12.678 1.00 41.22 ?  15 LYS A HZ3  12 
HETATM 2749 N N    . PCA A 1 1  ? 6.959   -2.674  -2.128 1.00 11.13 ?  1  PCA A N    13 
HETATM 2750 C CA   . PCA A 1 1  ? 5.757   -2.721  -1.252 1.00 24.44 ?  1  PCA A CA   13 
HETATM 2751 C CB   . PCA A 1 1  ? 5.950   -1.521  -0.312 1.00 44.42 ?  1  PCA A CB   13 
HETATM 2752 C CG   . PCA A 1 1  ? 6.776   -0.530  -1.140 1.00 33.24 ?  1  PCA A CG   13 
HETATM 2753 C CD   . PCA A 1 1  ? 7.582   -1.401  -2.085 1.00 11.24 ?  1  PCA A CD   13 
HETATM 2754 O OE   . PCA A 1 1  ? 8.574   -1.084  -2.712 1.00 22.43 ?  1  PCA A OE   13 
HETATM 2755 C C    . PCA A 1 1  ? 4.450   -2.597  -2.073 1.00 35.00 ?  1  PCA A C    13 
HETATM 2756 O O    . PCA A 1 1  ? 4.464   -2.145  -3.217 1.00 53.44 ?  1  PCA A O    13 
HETATM 2757 H HA   . PCA A 1 1  ? 5.754   -3.681  -0.730 1.00 63.24 ?  1  PCA A HA   13 
HETATM 2758 H HB2  . PCA A 1 1  ? 4.985   -1.117  -0.001 1.00 51.22 ?  1  PCA A HB2  13 
HETATM 2759 H HB3  . PCA A 1 1  ? 6.505   -1.832  0.574  1.00 62.35 ?  1  PCA A HB3  13 
HETATM 2760 H HG2  . PCA A 1 1  ? 6.137   0.122   -1.747 1.00 32.34 ?  1  PCA A HG2  13 
HETATM 2761 H HG3  . PCA A 1 1  ? 7.450   0.107   -0.559 1.00 1.32  ?  1  PCA A HG3  13 
ATOM   2762 N N    . GLY A 1 2  ? 3.336   -3.005  -1.471 1.00 41.40 ?  2  GLY A N    13 
ATOM   2763 C CA   . GLY A 1 2  ? 2.057   -2.934  -2.150 1.00 31.12 ?  2  GLY A CA   13 
ATOM   2764 C C    . GLY A 1 2  ? 1.022   -3.857  -1.537 1.00 64.33 ?  2  GLY A C    13 
ATOM   2765 O O    . GLY A 1 2  ? 0.226   -4.469  -2.250 1.00 60.30 ?  2  GLY A O    13 
ATOM   2766 H H    . GLY A 1 2  ? 3.386   -3.358  -0.557 1.00 2.33  ?  2  GLY A H    13 
ATOM   2767 H HA2  . GLY A 1 2  ? 1.692   -1.918  -2.102 1.00 1.55  ?  2  GLY A HA2  13 
ATOM   2768 H HA3  . GLY A 1 2  ? 2.196   -3.206  -3.186 1.00 61.12 ?  2  GLY A HA3  13 
ATOM   2769 N N    . CYS A 1 3  ? 1.032   -3.957  -0.213 1.00 5.34  ?  3  CYS A N    13 
ATOM   2770 C CA   . CYS A 1 3  ? 0.090   -4.813  0.497  1.00 74.31 ?  3  CYS A CA   13 
ATOM   2771 C C    . CYS A 1 3  ? -1.300  -4.184  0.527  1.00 50.31 ?  3  CYS A C    13 
ATOM   2772 O O    . CYS A 1 3  ? -2.311  -4.880  0.425  1.00 54.34 ?  3  CYS A O    13 
ATOM   2773 C CB   . CYS A 1 3  ? 0.576   -5.070  1.924  1.00 62.42 ?  3  CYS A CB   13 
ATOM   2774 S SG   . CYS A 1 3  ? 0.239   -6.753  2.533  1.00 34.43 ?  3  CYS A SG   13 
ATOM   2775 H H    . CYS A 1 3  ? 1.691   -3.443  0.302  1.00 52.12 ?  3  CYS A H    13 
ATOM   2776 H HA   . CYS A 1 3  ? 0.034   -5.754  -0.030 1.00 31.55 ?  3  CYS A HA   13 
ATOM   2777 H HB2  . CYS A 1 3  ? 1.645   -4.914  1.965  1.00 65.14 ?  3  CYS A HB2  13 
ATOM   2778 H HB3  . CYS A 1 3  ? 0.090   -4.374  2.593  1.00 35.30 ?  3  CYS A HB3  13 
ATOM   2779 N N    . CYS A 1 4  ? -1.343  -2.863  0.668  1.00 4.35  ?  4  CYS A N    13 
ATOM   2780 C CA   . CYS A 1 4  ? -2.607  -2.139  0.713  1.00 71.11 ?  4  CYS A CA   13 
ATOM   2781 C C    . CYS A 1 4  ? -3.476  -2.487  -0.493 1.00 22.25 ?  4  CYS A C    13 
ATOM   2782 O O    . CYS A 1 4  ? -4.704  -2.483  -0.410 1.00 50.41 ?  4  CYS A O    13 
ATOM   2783 C CB   . CYS A 1 4  ? -2.353  -0.631  0.754  1.00 32.54 ?  4  CYS A CB   13 
ATOM   2784 S SG   . CYS A 1 4  ? -3.578  0.303   1.727  1.00 53.23 ?  4  CYS A SG   13 
ATOM   2785 H H    . CYS A 1 4  ? -0.503  -2.363  0.745  1.00 63.22 ?  4  CYS A H    13 
ATOM   2786 H HA   . CYS A 1 4  ? -3.127  -2.433  1.612  1.00 41.04 ?  4  CYS A HA   13 
ATOM   2787 H HB2  . CYS A 1 4  ? -1.382  -0.449  1.189  1.00 64.22 ?  4  CYS A HB2  13 
ATOM   2788 H HB3  . CYS A 1 4  ? -2.369  -0.243  -0.254 1.00 55.24 ?  4  CYS A HB3  13 
ATOM   2789 N N    . THR A 1 5  ? -2.829  -2.789  -1.614 1.00 33.14 ?  5  THR A N    13 
ATOM   2790 C CA   . THR A 1 5  ? -3.541  -3.139  -2.837 1.00 53.20 ?  5  THR A CA   13 
ATOM   2791 C C    . THR A 1 5  ? -4.226  -4.495  -2.705 1.00 2.14  ?  5  THR A C    13 
ATOM   2792 O O    . THR A 1 5  ? -5.271  -4.734  -3.311 1.00 45.33 ?  5  THR A O    13 
ATOM   2793 C CB   . THR A 1 5  ? -2.592  -3.171  -4.050 1.00 34.35 ?  5  THR A CB   13 
ATOM   2794 O OG1  . THR A 1 5  ? -1.955  -1.898  -4.208 1.00 72.22 ?  5  THR A OG1  13 
ATOM   2795 C CG2  . THR A 1 5  ? -3.349  -3.525  -5.321 1.00 23.04 ?  5  THR A CG2  13 
ATOM   2796 H H    . THR A 1 5  ? -1.849  -2.776  -1.618 1.00 60.31 ?  5  THR A H    13 
ATOM   2797 H HA   . THR A 1 5  ? -4.291  -2.382  -3.014 1.00 24.12 ?  5  THR A HA   13 
ATOM   2798 H HB   . THR A 1 5  ? -1.837  -3.925  -3.877 1.00 23.31 ?  5  THR A HB   13 
ATOM   2799 H HG1  . THR A 1 5  ? -1.448  -1.894  -5.023 1.00 50.44 ?  5  THR A HG1  13 
ATOM   2800 H HG21 . THR A 1 5  ? -2.727  -3.324  -6.180 1.00 45.03 ?  5  THR A HG21 13 
ATOM   2801 H HG22 . THR A 1 5  ? -3.612  -4.573  -5.303 1.00 42.20 ?  5  THR A HG22 13 
ATOM   2802 H HG23 . THR A 1 5  ? -4.249  -2.930  -5.381 1.00 23.13 ?  5  THR A HG23 13 
ATOM   2803 N N    . ASP A 1 6  ? -3.631  -5.378  -1.912 1.00 3.10  ?  6  ASP A N    13 
ATOM   2804 C CA   . ASP A 1 6  ? -4.186  -6.710  -1.700 1.00 50.31 ?  6  ASP A CA   13 
ATOM   2805 C C    . ASP A 1 6  ? -5.382  -6.657  -0.756 1.00 20.41 ?  6  ASP A C    13 
ATOM   2806 O O    . ASP A 1 6  ? -5.484  -5.786  0.108  1.00 44.31 ?  6  ASP A O    13 
ATOM   2807 C CB   . ASP A 1 6  ? -3.116  -7.647  -1.135 1.00 73.24 ?  6  ASP A CB   13 
ATOM   2808 C CG   . ASP A 1 6  ? -2.284  -8.297  -2.223 1.00 24.01 ?  6  ASP A CG   13 
ATOM   2809 O OD1  . ASP A 1 6  ? -1.101  -8.600  -1.962 1.00 3.32  ?  6  ASP A OD1  13 
ATOM   2810 O OD2  . ASP A 1 6  ? -2.816  -8.504  -3.334 1.00 15.43 -1 6  ASP A OD2  13 
ATOM   2811 H H    . ASP A 1 6  ? -2.799  -5.128  -1.457 1.00 22.03 ?  6  ASP A H    13 
ATOM   2812 H HA   . ASP A 1 6  ? -4.513  -7.089  -2.656 1.00 52.23 ?  6  ASP A HA   13 
ATOM   2813 H HB2  . ASP A 1 6  ? -2.457  -7.083  -0.492 1.00 62.22 ?  6  ASP A HB2  13 
ATOM   2814 H HB3  . ASP A 1 6  ? -3.596  -8.425  -0.560 1.00 75.25 ?  6  ASP A HB3  13 
ATOM   2815 N N    . PRO A 1 7  ? -6.312  -7.609  -0.924 1.00 4.05  ?  7  PRO A N    13 
ATOM   2816 C CA   . PRO A 1 7  ? -7.519  -7.692  -0.096 1.00 44.51 ?  7  PRO A CA   13 
ATOM   2817 C C    . PRO A 1 7  ? -7.211  -8.107  1.338  1.00 2.22  ?  7  PRO A C    13 
ATOM   2818 O O    . PRO A 1 7  ? -7.725  -7.518  2.288  1.00 33.15 ?  7  PRO A O    13 
ATOM   2819 C CB   . PRO A 1 7  ? -8.356  -8.766  -0.797 1.00 22.34 ?  7  PRO A CB   13 
ATOM   2820 C CG   . PRO A 1 7  ? -7.363  -9.609  -1.520 1.00 41.54 ?  7  PRO A CG   13 
ATOM   2821 C CD   . PRO A 1 7  ? -6.255  -8.680  -1.934 1.00 33.00 ?  7  PRO A CD   13 
ATOM   2822 H HA   . PRO A 1 7  ? -8.061  -6.757  -0.091 1.00 64.43 ?  7  PRO A HA   13 
ATOM   2823 H HB2  . PRO A 1 7  ? -8.899  -9.339  -0.059 1.00 50.11 ?  7  PRO A HB2  13 
ATOM   2824 H HB3  . PRO A 1 7  ? -9.049  -8.299  -1.479 1.00 12.35 ?  7  PRO A HB3  13 
ATOM   2825 H HG2  . PRO A 1 7  ? -6.984  -10.375 -0.862 1.00 2.22  ?  7  PRO A HG2  13 
ATOM   2826 H HG3  . PRO A 1 7  ? -7.824  -10.053 -2.389 1.00 75.12 ?  7  PRO A HG3  13 
ATOM   2827 H HD2  . PRO A 1 7  ? -5.304  -9.189  -1.903 1.00 2.45  ?  7  PRO A HD2  13 
ATOM   2828 H HD3  . PRO A 1 7  ? -6.443  -8.286  -2.922 1.00 65.12 ?  7  PRO A HD3  13 
ATOM   2829 N N    . ARG A 1 8  ? -6.370  -9.126  1.487  1.00 31.05 ?  8  ARG A N    13 
ATOM   2830 C CA   . ARG A 1 8  ? -5.996  -9.621  2.806  1.00 53.43 ?  8  ARG A CA   13 
ATOM   2831 C C    . ARG A 1 8  ? -5.405  -8.502  3.659  1.00 65.42 ?  8  ARG A C    13 
ATOM   2832 O O    . ARG A 1 8  ? -5.617  -8.452  4.871  1.00 24.44 ?  8  ARG A O    13 
ATOM   2833 C CB   . ARG A 1 8  ? -4.988  -10.764 2.678  1.00 63.11 ?  8  ARG A CB   13 
ATOM   2834 C CG   . ARG A 1 8  ? -3.799  -10.430 1.792  1.00 71.54 ?  8  ARG A CG   13 
ATOM   2835 C CD   . ARG A 1 8  ? -2.828  -11.598 1.698  1.00 24.33 ?  8  ARG A CD   13 
ATOM   2836 N NE   . ARG A 1 8  ? -1.953  -11.677 2.865  1.00 70.34 ?  8  ARG A NE   13 
ATOM   2837 C CZ   . ARG A 1 8  ? -0.867  -12.440 2.919  1.00 35.53 ?  8  ARG A CZ   13 
ATOM   2838 N NH1  . ARG A 1 8  ? -0.524  -13.185 1.877  1.00 63.04 1  8  ARG A NH1  13 
ATOM   2839 N NH2  . ARG A 1 8  ? -0.122  -12.459 4.017  1.00 10.15 ?  8  ARG A NH2  13 
ATOM   2840 H H    . ARG A 1 8  ? -5.994  -9.556  0.691  1.00 64.21 ?  8  ARG A H    13 
ATOM   2841 H HA   . ARG A 1 8  ? -6.888  -9.991  3.288  1.00 73.52 ?  8  ARG A HA   13 
ATOM   2842 H HB2  . ARG A 1 8  ? -4.616  -11.014 3.661  1.00 61.45 ?  8  ARG A HB2  13 
ATOM   2843 H HB3  . ARG A 1 8  ? -5.489  -11.624 2.261  1.00 40.11 ?  8  ARG A HB3  13 
ATOM   2844 H HG2  . ARG A 1 8  ? -4.155  -10.193 0.800  1.00 53.32 ?  8  ARG A HG2  13 
ATOM   2845 H HG3  . ARG A 1 8  ? -3.282  -9.577  2.205  1.00 30.32 ?  8  ARG A HG3  13 
ATOM   2846 H HD2  . ARG A 1 8  ? -3.395  -12.515 1.623  1.00 53.54 ?  8  ARG A HD2  13 
ATOM   2847 H HD3  . ARG A 1 8  ? -2.223  -11.476 0.814  1.00 33.33 ?  8  ARG A HD3  13 
ATOM   2848 H HE   . ARG A 1 8  ? -2.188  -11.136 3.647  1.00 23.04 ?  8  ARG A HE   13 
ATOM   2849 H HH11 . ARG A 1 8  ? -1.084  -13.173 1.049  1.00 14.24 ?  8  ARG A HH11 13 
ATOM   2850 H HH12 . ARG A 1 8  ? 0.294   -13.759 1.920  1.00 53.33 ?  8  ARG A HH12 13 
ATOM   2851 H HH21 . ARG A 1 8  ? -0.377  -11.899 4.804  1.00 72.15 ?  8  ARG A HH21 13 
ATOM   2852 H HH22 . ARG A 1 8  ? 0.695   -13.034 4.056  1.00 51.31 ?  8  ARG A HH22 13 
ATOM   2853 N N    . CYS A 1 9  ? -4.664  -7.604  3.018  1.00 23.53 ?  9  CYS A N    13 
ATOM   2854 C CA   . CYS A 1 9  ? -4.042  -6.486  3.716  1.00 21.11 ?  9  CYS A CA   13 
ATOM   2855 C C    . CYS A 1 9  ? -4.993  -5.295  3.791  1.00 22.01 ?  9  CYS A C    13 
ATOM   2856 O O    . CYS A 1 9  ? -4.989  -4.545  4.768  1.00 24.12 ?  9  CYS A O    13 
ATOM   2857 C CB   . CYS A 1 9  ? -2.747  -6.075  3.012  1.00 13.23 ?  9  CYS A CB   13 
ATOM   2858 S SG   . CYS A 1 9  ? -1.237  -6.423  3.970  1.00 54.11 ?  9  CYS A SG   13 
ATOM   2859 H H    . CYS A 1 9  ? -4.531  -7.697  2.050  1.00 40.33 ?  9  CYS A H    13 
ATOM   2860 H HA   . CYS A 1 9  ? -3.809  -6.809  4.719  1.00 20.44 ?  9  CYS A HA   13 
ATOM   2861 H HB2  . CYS A 1 9  ? -2.671  -6.607  2.076  1.00 24.41 ?  9  CYS A HB2  13 
ATOM   2862 H HB3  . CYS A 1 9  ? -2.775  -5.013  2.816  1.00 71.44 ?  9  CYS A HB3  13 
ATOM   2863 N N    . ARG A 1 10 ? -5.807  -5.129  2.754  1.00 3.34  ?  10 ARG A N    13 
ATOM   2864 C CA   . ARG A 1 10 ? -6.763  -4.029  2.703  1.00 22.50 ?  10 ARG A CA   13 
ATOM   2865 C C    . ARG A 1 10 ? -7.604  -3.980  3.975  1.00 41.43 ?  10 ARG A C    13 
ATOM   2866 O O    . ARG A 1 10 ? -7.972  -2.903  4.445  1.00 53.40 ?  10 ARG A O    13 
ATOM   2867 C CB   . ARG A 1 10 ? -7.675  -4.175  1.482  1.00 31.33 ?  10 ARG A CB   13 
ATOM   2868 C CG   . ARG A 1 10 ? -8.684  -3.048  1.339  1.00 21.23 ?  10 ARG A CG   13 
ATOM   2869 C CD   . ARG A 1 10 ? -9.946  -3.517  0.632  1.00 41.14 ?  10 ARG A CD   13 
ATOM   2870 N NE   . ARG A 1 10 ? -10.797 -4.320  1.507  1.00 43.11 ?  10 ARG A NE   13 
ATOM   2871 C CZ   . ARG A 1 10 ? -11.793 -5.081  1.067  1.00 63.03 ?  10 ARG A CZ   13 
ATOM   2872 N NH1  . ARG A 1 10 ? -12.062 -5.142  -0.230 1.00 13.21 1  10 ARG A NH1  13 
ATOM   2873 N NH2  . ARG A 1 10 ? -12.522 -5.782  1.924  1.00 73.00 ?  10 ARG A NH2  13 
ATOM   2874 H H    . ARG A 1 10 ? -5.764  -5.760  2.006  1.00 4.50  ?  10 ARG A H    13 
ATOM   2875 H HA   . ARG A 1 10 ? -6.206  -3.108  2.617  1.00 22.35 ?  10 ARG A HA   13 
ATOM   2876 H HB2  . ARG A 1 10 ? -7.064  -4.197  0.592  1.00 62.12 ?  10 ARG A HB2  13 
ATOM   2877 H HB3  . ARG A 1 10 ? -8.215  -5.105  1.561  1.00 64.12 ?  10 ARG A HB3  13 
ATOM   2878 H HG2  . ARG A 1 10 ? -8.949  -2.686  2.321  1.00 70.13 ?  10 ARG A HG2  13 
ATOM   2879 H HG3  . ARG A 1 10 ? -8.238  -2.248  0.767  1.00 3.04  ?  10 ARG A HG3  13 
ATOM   2880 H HD2  . ARG A 1 10 ? -10.501 -2.652  0.302  1.00 75.31 ?  10 ARG A HD2  13 
ATOM   2881 H HD3  . ARG A 1 10 ? -9.664  -4.111  -0.224 1.00 15.42 ?  10 ARG A HD3  13 
ATOM   2882 H HE   . ARG A 1 10 ? -10.616 -4.289  2.469  1.00 22.23 ?  10 ARG A HE   13 
ATOM   2883 H HH11 . ARG A 1 10 ? -11.513 -4.615  -0.879 1.00 73.23 ?  10 ARG A HH11 13 
ATOM   2884 H HH12 . ARG A 1 10 ? -12.812 -5.717  -0.559 1.00 55.15 ?  10 ARG A HH12 13 
ATOM   2885 H HH21 . ARG A 1 10 ? -12.322 -5.738  2.903  1.00 54.34 ?  10 ARG A HH21 13 
ATOM   2886 H HH22 . ARG A 1 10 ? -13.271 -6.354  1.592  1.00 52.33 ?  10 ARG A HH22 13 
HETATM 2887 N N    . IYR A 1 11 ? -7.903  -5.151  4.528  1.00 4.14  ?  11 IYR A N    13 
HETATM 2888 C CA   . IYR A 1 11 ? -8.702  -5.240  5.748  1.00 0.21  ?  11 IYR A CA   13 
HETATM 2889 C CB   . IYR A 1 11 ? -8.793  -6.711  6.272  1.00 41.10 ?  11 IYR A CB   13 
HETATM 2890 C CC   . IYR A 1 11 ? -10.014 -7.445  5.759  1.00 75.23 ?  11 IYR A CC   13 
HETATM 2891 C CD   . IYR A 1 11 ? -10.261 -7.539  4.385  1.00 61.33 ?  11 IYR A CD   13 
HETATM 2892 C CE   . IYR A 1 11 ? -11.376 -8.223  3.905  1.00 42.44 ?  11 IYR A CE   13 
HETATM 2893 I IE   . IYR A 1 11 ? -11.708 -8.341  1.776  1.00 44.41 ?  11 IYR A IE   13 
HETATM 2894 C CF   . IYR A 1 11 ? -12.280 -8.840  4.781  1.00 74.31 ?  11 IYR A CF   13 
HETATM 2895 O OF   . IYR A 1 11 ? -13.413 -9.535  4.409  1.00 52.10 ?  11 IYR A OF   13 
HETATM 2896 C CG   . IYR A 1 11 ? -12.027 -8.743  6.159  1.00 73.43 ?  11 IYR A CG   13 
HETATM 2897 C CH   . IYR A 1 11 ? -10.917 -8.062  6.639  1.00 10.04 ?  11 IYR A CH   13 
HETATM 2898 C C    . IYR A 1 11 ? -7.958  -4.402  6.806  1.00 25.12 ?  11 IYR A C    13 
HETATM 2899 O O    . IYR A 1 11 ? -8.557  -3.561  7.476  1.00 74.52 ?  11 IYR A O    13 
HETATM 2900 H H    . IYR A 1 11 ? -7.580  -5.974  4.106  1.00 14.32 ?  11 IYR A H    13 
HETATM 2901 H HA   . IYR A 1 11 ? -9.701  -4.850  5.539  1.00 72.33 ?  11 IYR A HA   13 
HETATM 2902 H HB2  . IYR A 1 11 ? -7.881  -7.226  5.953  1.00 11.51 ?  11 IYR A HB2  13 
HETATM 2903 H HB3  . IYR A 1 11 ? -8.799  -6.685  7.367  1.00 60.32 ?  11 IYR A HB3  13 
HETATM 2904 H HD   . IYR A 1 11 ? -9.584  -7.065  3.683  1.00 22.10 ?  11 IYR A HD   13 
HETATM 2905 H HF   . IYR A 1 11 ? -13.680 -10.189 5.112  1.00 73.54 ?  11 IYR A HF   13 
HETATM 2906 H HG   . IYR A 1 11 ? -12.732 -9.217  6.830  1.00 11.24 ?  11 IYR A HG   13 
HETATM 2907 H HH   . IYR A 1 11 ? -10.747 -8.003  7.708  1.00 13.23 ?  11 IYR A HH   13 
ATOM   2908 N N    . GLN A 1 12 ? -6.659  -4.645  6.939  1.00 64.22 ?  12 GLN A N    13 
ATOM   2909 C CA   . GLN A 1 12 ? -5.842  -3.919  7.906  1.00 44.33 ?  12 GLN A CA   13 
ATOM   2910 C C    . GLN A 1 12 ? -5.672  -2.462  7.490  1.00 33.45 ?  12 GLN A C    13 
ATOM   2911 O O    . GLN A 1 12 ? -5.729  -1.557  8.323  1.00 13.21 ?  12 GLN A O    13 
ATOM   2912 C CB   . GLN A 1 12 ? -4.472  -4.584  8.049  1.00 31.21 ?  12 GLN A CB   13 
ATOM   2913 C CG   . GLN A 1 12 ? -4.540  -6.014  8.562  1.00 72.54 ?  12 GLN A CG   13 
ATOM   2914 C CD   . GLN A 1 12 ? -4.678  -6.086  10.069 1.00 2.41  ?  12 GLN A CD   13 
ATOM   2915 O OE1  . GLN A 1 12 ? -5.698  -5.688  10.631 1.00 4.14  ?  12 GLN A OE1  13 
ATOM   2916 N NE2  . GLN A 1 12 ? -3.648  -6.597  10.734 1.00 42.44 ?  12 GLN A NE2  13 
ATOM   2917 H H    . GLN A 1 12 ? -6.239  -5.327  6.376  1.00 63.03 ?  12 GLN A H    13 
ATOM   2918 H HA   . GLN A 1 12 ? -6.349  -3.952  8.859  1.00 74.14 ?  12 GLN A HA   13 
ATOM   2919 H HB2  . GLN A 1 12 ? -3.988  -4.594  7.084  1.00 65.51 ?  12 GLN A HB2  13 
ATOM   2920 H HB3  . GLN A 1 12 ? -3.875  -4.006  8.737  1.00 55.52 ?  12 GLN A HB3  13 
ATOM   2921 H HG2  . GLN A 1 12 ? -5.392  -6.504  8.114  1.00 33.31 ?  12 GLN A HG2  13 
ATOM   2922 H HG3  . GLN A 1 12 ? -3.636  -6.530  8.272  1.00 2.55  ?  12 GLN A HG3  13 
ATOM   2923 H HE21 . GLN A 1 12 ? -2.867  -6.894  10.220 1.00 20.44 ?  12 GLN A HE21 13 
ATOM   2924 H HE22 . GLN A 1 12 ? -3.710  -6.655  11.710 1.00 41.34 ?  12 GLN A HE22 13 
ATOM   2925 N N    . CYS A 1 13 ? -5.462  -2.241  6.196  1.00 25.25 ?  13 CYS A N    13 
ATOM   2926 C CA   . CYS A 1 13 ? -5.282  -0.895  5.670  1.00 24.34 ?  13 CYS A CA   13 
ATOM   2927 C C    . CYS A 1 13 ? -6.498  -0.023  5.976  1.00 61.23 ?  13 CYS A C    13 
ATOM   2928 O O    . CYS A 1 13 ? -6.369  1.176   6.219  1.00 1.13  ?  13 CYS A O    13 
ATOM   2929 C CB   . CYS A 1 13 ? -5.045  -0.943  4.159  1.00 11.44 ?  13 CYS A CB   13 
ATOM   2930 S SG   . CYS A 1 13 ? -3.435  -0.270  3.637  1.00 70.22 ?  13 CYS A SG   13 
ATOM   2931 H H    . CYS A 1 13 ? -5.427  -3.004  5.581  1.00 70.11 ?  13 CYS A H    13 
ATOM   2932 H HA   . CYS A 1 13 ? -4.416  -0.464  6.148  1.00 71.43 ?  13 CYS A HA   13 
ATOM   2933 H HB2  . CYS A 1 13 ? -5.094  -1.971  3.827  1.00 64.53 ?  13 CYS A HB2  13 
ATOM   2934 H HB3  . CYS A 1 13 ? -5.817  -0.373  3.662  1.00 23.34 ?  13 CYS A HB3  13 
ATOM   2935 N N    . TYR A 1 14 ? -7.676  -0.637  5.964  1.00 22.23 ?  14 TYR A N    13 
ATOM   2936 C CA   . TYR A 1 14 ? -8.915  0.082   6.239  1.00 41.03 ?  14 TYR A CA   13 
ATOM   2937 C C    . TYR A 1 14 ? -9.337  -0.097  7.693  1.00 41.31 ?  14 TYR A C    13 
ATOM   2938 O O    . TYR A 1 14 ? -10.234 -0.883  8.001  1.00 14.42 ?  14 TYR A O    13 
ATOM   2939 C CB   . TYR A 1 14 ? -10.028 -0.404  5.309  1.00 50.31 ?  14 TYR A CB   13 
ATOM   2940 C CG   . TYR A 1 14 ? -11.240 0.499   5.293  1.00 32.42 ?  14 TYR A CG   13 
ATOM   2941 C CD1  . TYR A 1 14 ? -11.157 1.798   4.805  1.00 72.15 ?  14 TYR A CD1  13 
ATOM   2942 C CD2  . TYR A 1 14 ? -12.469 0.054   5.764  1.00 25.42 ?  14 TYR A CD2  13 
ATOM   2943 C CE1  . TYR A 1 14 ? -12.262 2.627   4.789  1.00 24.03 ?  14 TYR A CE1  13 
ATOM   2944 C CE2  . TYR A 1 14 ? -13.580 0.875   5.750  1.00 41.21 ?  14 TYR A CE2  13 
ATOM   2945 C CZ   . TYR A 1 14 ? -13.471 2.161   5.262  1.00 60.41 ?  14 TYR A CZ   13 
ATOM   2946 O OH   . TYR A 1 14 ? -14.574 2.983   5.246  1.00 51.03 ?  14 TYR A OH   13 
ATOM   2947 H H    . TYR A 1 14 ? -7.715  -1.595  5.764  1.00 44.30 ?  14 TYR A H    13 
ATOM   2948 H HA   . TYR A 1 14 ? -8.737  1.131   6.054  1.00 0.44  ?  14 TYR A HA   13 
ATOM   2949 H HB2  . TYR A 1 14 ? -9.646  -0.465  4.302  1.00 42.13 ?  14 TYR A HB2  13 
ATOM   2950 H HB3  . TYR A 1 14 ? -10.350 -1.385  5.627  1.00 64.40 ?  14 TYR A HB3  13 
ATOM   2951 H HD1  . TYR A 1 14 ? -10.209 2.159   4.435  1.00 1.23  ?  14 TYR A HD1  13 
ATOM   2952 H HD2  . TYR A 1 14 ? -12.551 -0.953  6.145  1.00 52.34 ?  14 TYR A HD2  13 
ATOM   2953 H HE1  . TYR A 1 14 ? -12.177 3.632   4.406  1.00 35.44 ?  14 TYR A HE1  13 
ATOM   2954 H HE2  . TYR A 1 14 ? -14.527 0.512   6.121  1.00 11.21 ?  14 TYR A HE2  13 
ATOM   2955 H HH   . TYR A 1 14 ? -15.302 2.534   4.810  1.00 34.25 ?  14 TYR A HH   13 
ATOM   2956 N N    . LYS A 1 15 ? -8.683  0.639   8.587  1.00 31.30 ?  15 LYS A N    13 
ATOM   2957 C CA   . LYS A 1 15 ? -8.991  0.565   10.011 1.00 33.13 ?  15 LYS A CA   13 
ATOM   2958 C C    . LYS A 1 15 ? -10.484 0.750   10.256 1.00 75.54 ?  15 LYS A C    13 
ATOM   2959 O O    . LYS A 1 15 ? -11.039 0.206   11.211 1.00 12.22 ?  15 LYS A O    13 
ATOM   2960 C CB   . LYS A 1 15 ? -8.201  1.627   10.779 1.00 23.42 ?  15 LYS A CB   13 
ATOM   2961 C CG   . LYS A 1 15 ? -8.902  2.972   10.852 1.00 42.22 ?  15 LYS A CG   13 
ATOM   2962 C CD   . LYS A 1 15 ? -9.202  3.521   9.467  1.00 3.15  ?  15 LYS A CD   13 
ATOM   2963 C CE   . LYS A 1 15 ? -7.924  3.857   8.712  1.00 5.10  ?  15 LYS A CE   13 
ATOM   2964 N NZ   . LYS A 1 15 ? -8.197  4.224   7.296  1.00 24.11 1  15 LYS A NZ   13 
ATOM   2965 H H    . LYS A 1 15 ? -7.978  1.247   8.281  1.00 14.13 ?  15 LYS A H    13 
ATOM   2966 H HA   . LYS A 1 15 ? -8.698  -0.413  10.362 1.00 62.33 ?  15 LYS A HA   13 
ATOM   2967 H HB2  . LYS A 1 15 ? -8.034  1.276   11.786 1.00 40.30 ?  15 LYS A HB2  13 
ATOM   2968 H HB3  . LYS A 1 15 ? -7.246  1.768   10.294 1.00 33.21 ?  15 LYS A HB3  13 
ATOM   2969 H HG2  . LYS A 1 15 ? -9.832  2.855   11.389 1.00 44.53 ?  15 LYS A HG2  13 
ATOM   2970 H HG3  . LYS A 1 15 ? -8.266  3.671   11.377 1.00 11.25 ?  15 LYS A HG3  13 
ATOM   2971 H HD2  . LYS A 1 15 ? -9.753  2.780   8.907  1.00 72.23 ?  15 LYS A HD2  13 
ATOM   2972 H HD3  . LYS A 1 15 ? -9.798  4.417   9.566  1.00 53.42 ?  15 LYS A HD3  13 
ATOM   2973 H HE2  . LYS A 1 15 ? -7.440  4.686   9.204  1.00 34.30 ?  15 LYS A HE2  13 
ATOM   2974 H HE3  . LYS A 1 15 ? -7.273  2.996   8.734  1.00 22.05 ?  15 LYS A HE3  13 
ATOM   2975 H HZ1  . LYS A 1 15 ? -7.613  5.038   7.019  1.00 60.33 ?  15 LYS A HZ1  13 
ATOM   2976 H HZ2  . LYS A 1 15 ? -7.976  3.423   6.670  1.00 62.45 ?  15 LYS A HZ2  13 
ATOM   2977 H HZ3  . LYS A 1 15 ? -9.201  4.474   7.178  1.00 41.22 ?  15 LYS A HZ3  13 
HETATM 2978 N N    . PCA A 1 1  ? 6.287   -3.301  -2.813 1.00 11.13 ?  1  PCA A N    14 
HETATM 2979 C CA   . PCA A 1 1  ? 5.292   -4.294  -2.322 1.00 24.44 ?  1  PCA A CA   14 
HETATM 2980 C CB   . PCA A 1 1  ? 6.120   -5.183  -1.381 1.00 44.42 ?  1  PCA A CB   14 
HETATM 2981 C CG   . PCA A 1 1  ? 7.214   -4.248  -0.851 1.00 33.24 ?  1  PCA A CG   14 
HETATM 2982 C CD   . PCA A 1 1  ? 7.416   -3.232  -1.960 1.00 11.24 ?  1  PCA A CD   14 
HETATM 2983 O OE   . PCA A 1 1  ? 8.357   -2.477  -2.103 1.00 22.43 ?  1  PCA A OE   14 
HETATM 2984 C C    . PCA A 1 1  ? 4.108   -3.602  -1.601 1.00 35.00 ?  1  PCA A C    14 
HETATM 2985 O O    . PCA A 1 1  ? 4.018   -3.622  -0.374 1.00 53.44 ?  1  PCA A O    14 
HETATM 2986 H HA   . PCA A 1 1  ? 4.906   -4.844  -3.182 1.00 63.24 ?  1  PCA A HA   14 
HETATM 2987 H HB2  . PCA A 1 1  ? 5.504   -5.611  -0.588 1.00 51.22 ?  1  PCA A HB2  14 
HETATM 2988 H HB3  . PCA A 1 1  ? 6.561   -5.994  -1.962 1.00 62.35 ?  1  PCA A HB3  14 
HETATM 2989 H HG2  . PCA A 1 1  ? 6.888   -3.707  0.044  1.00 32.34 ?  1  PCA A HG2  14 
HETATM 2990 H HG3  . PCA A 1 1  ? 8.166   -4.738  -0.620 1.00 1.32  ?  1  PCA A HG3  14 
ATOM   2991 N N    . GLY A 1 2  ? 3.218   -2.997  -2.382 1.00 41.40 ?  2  GLY A N    14 
ATOM   2992 C CA   . GLY A 1 2  ? 2.070   -2.318  -1.810 1.00 31.12 ?  2  GLY A CA   14 
ATOM   2993 C C    . GLY A 1 2  ? 1.028   -3.284  -1.283 1.00 64.33 ?  2  GLY A C    14 
ATOM   2994 O O    . GLY A 1 2  ? 0.098   -3.658  -1.998 1.00 60.30 ?  2  GLY A O    14 
ATOM   2995 H H    . GLY A 1 2  ? 3.342   -3.013  -3.354 1.00 2.33  ?  2  GLY A H    14 
ATOM   2996 H HA2  . GLY A 1 2  ? 2.405   -1.688  -1.000 1.00 1.55  ?  2  GLY A HA2  14 
ATOM   2997 H HA3  . GLY A 1 2  ? 1.618   -1.699  -2.570 1.00 61.12 ?  2  GLY A HA3  14 
ATOM   2998 N N    . CYS A 1 3  ? 1.183   -3.692  -0.028 1.00 5.34  ?  3  CYS A N    14 
ATOM   2999 C CA   . CYS A 1 3  ? 0.249   -4.622  0.596  1.00 74.31 ?  3  CYS A CA   14 
ATOM   3000 C C    . CYS A 1 3  ? -1.152  -4.020  0.669  1.00 50.31 ?  3  CYS A C    14 
ATOM   3001 O O    . CYS A 1 3  ? -2.150  -4.725  0.524  1.00 54.34 ?  3  CYS A O    14 
ATOM   3002 C CB   . CYS A 1 3  ? 0.730   -4.996  1.999  1.00 62.42 ?  3  CYS A CB   14 
ATOM   3003 S SG   . CYS A 1 3  ? 0.214   -6.657  2.543  1.00 34.43 ?  3  CYS A SG   14 
ATOM   3004 H H    . CYS A 1 3  ? 1.944   -3.358  0.494  1.00 52.12 ?  3  CYS A H    14 
ATOM   3005 H HA   . CYS A 1 3  ? 0.213   -5.513  -0.012 1.00 31.55 ?  3  CYS A HA   14 
ATOM   3006 H HB2  . CYS A 1 3  ? 1.810   -4.965  2.022  1.00 65.14 ?  3  CYS A HB2  14 
ATOM   3007 H HB3  . CYS A 1 3  ? 0.339   -4.281  2.707  1.00 35.30 ?  3  CYS A HB3  14 
ATOM   3008 N N    . CYS A 1 4  ? -1.215  -2.712  0.895  1.00 4.35  ?  4  CYS A N    14 
ATOM   3009 C CA   . CYS A 1 4  ? -2.493  -2.013  0.988  1.00 71.11 ?  4  CYS A CA   14 
ATOM   3010 C C    . CYS A 1 4  ? -3.363  -2.306  -0.230 1.00 22.25 ?  4  CYS A C    14 
ATOM   3011 O O    . CYS A 1 4  ? -4.591  -2.325  -0.141 1.00 50.41 ?  4  CYS A O    14 
ATOM   3012 C CB   . CYS A 1 4  ? -2.264  -0.506  1.115  1.00 32.54 ?  4  CYS A CB   14 
ATOM   3013 S SG   . CYS A 1 4  ? -3.599  0.377   1.985  1.00 53.23 ?  4  CYS A SG   14 
ATOM   3014 H H    . CYS A 1 4  ? -0.384  -2.203  1.002  1.00 63.22 ?  4  CYS A H    14 
ATOM   3015 H HA   . CYS A 1 4  ? -3.001  -2.368  1.871  1.00 41.04 ?  4  CYS A HA   14 
ATOM   3016 H HB2  . CYS A 1 4  ? -1.348  -0.333  1.661  1.00 64.22 ?  4  CYS A HB2  14 
ATOM   3017 H HB3  . CYS A 1 4  ? -2.175  -0.078  0.128  1.00 55.24 ?  4  CYS A HB3  14 
ATOM   3018 N N    . THR A 1 5  ? -2.718  -2.535  -1.370 1.00 33.14 ?  5  THR A N    14 
ATOM   3019 C CA   . THR A 1 5  ? -3.432  -2.826  -2.608 1.00 53.20 ?  5  THR A CA   14 
ATOM   3020 C C    . THR A 1 5  ? -4.094  -4.198  -2.550 1.00 2.14  ?  5  THR A C    14 
ATOM   3021 O O    . THR A 1 5  ? -5.139  -4.419  -3.162 1.00 45.33 ?  5  THR A O    14 
ATOM   3022 C CB   . THR A 1 5  ? -2.490  -2.773  -3.825 1.00 34.35 ?  5  THR A CB   14 
ATOM   3023 O OG1  . THR A 1 5  ? -1.573  -1.683  -3.688 1.00 72.22 ?  5  THR A OG1  14 
ATOM   3024 C CG2  . THR A 1 5  ? -3.282  -2.618  -5.115 1.00 23.04 ?  5  THR A CG2  14 
ATOM   3025 H H    . THR A 1 5  ? -1.738  -2.506  -1.379 1.00 60.31 ?  5  THR A H    14 
ATOM   3026 H HA   . THR A 1 5  ? -4.196  -2.073  -2.737 1.00 24.12 ?  5  THR A HA   14 
ATOM   3027 H HB   . THR A 1 5  ? -1.934  -3.698  -3.872 1.00 23.31 ?  5  THR A HB   14 
ATOM   3028 H HG1  . THR A 1 5  ? -0.673  -2.018  -3.698 1.00 50.44 ?  5  THR A HG1  14 
ATOM   3029 H HG21 . THR A 1 5  ? -3.135  -1.623  -5.511 1.00 45.03 ?  5  THR A HG21 14 
ATOM   3030 H HG22 . THR A 1 5  ? -2.942  -3.346  -5.836 1.00 42.20 ?  5  THR A HG22 14 
ATOM   3031 H HG23 . THR A 1 5  ? -4.331  -2.772  -4.914 1.00 23.13 ?  5  THR A HG23 14 
ATOM   3032 N N    . ASP A 1 6  ? -3.480  -5.115  -1.811 1.00 3.10  ?  6  ASP A N    14 
ATOM   3033 C CA   . ASP A 1 6  ? -4.012  -6.466  -1.673 1.00 50.31 ?  6  ASP A CA   14 
ATOM   3034 C C    . ASP A 1 6  ? -5.243  -6.476  -0.772 1.00 20.41 ?  6  ASP A C    14 
ATOM   3035 O O    . ASP A 1 6  ? -5.394  -5.644  0.123  1.00 44.31 ?  6  ASP A O    14 
ATOM   3036 C CB   . ASP A 1 6  ? -2.943  -7.402  -1.107 1.00 73.24 ?  6  ASP A CB   14 
ATOM   3037 C CG   . ASP A 1 6  ? -2.137  -8.086  -2.193 1.00 24.01 ?  6  ASP A CG   14 
ATOM   3038 O OD1  . ASP A 1 6  ? -1.952  -7.476  -3.267 1.00 3.32  ?  6  ASP A OD1  14 
ATOM   3039 O OD2  . ASP A 1 6  ? -1.693  -9.232  -1.972 1.00 15.43 -1 6  ASP A OD2  14 
ATOM   3040 H H    . ASP A 1 6  ? -2.650  -4.878  -1.347 1.00 22.03 ?  6  ASP A H    14 
ATOM   3041 H HA   . ASP A 1 6  ? -4.297  -6.812  -2.654 1.00 52.23 ?  6  ASP A HA   14 
ATOM   3042 H HB2  . ASP A 1 6  ? -2.265  -6.832  -0.487 1.00 62.22 ?  6  ASP A HB2  14 
ATOM   3043 H HB3  . ASP A 1 6  ? -3.421  -8.161  -0.505 1.00 75.25 ?  6  ASP A HB3  14 
ATOM   3044 N N    . PRO A 1 7  ? -6.146  -7.439  -1.013 1.00 4.05  ?  7  PRO A N    14 
ATOM   3045 C CA   . PRO A 1 7  ? -7.380  -7.580  -0.235 1.00 44.51 ?  7  PRO A CA   14 
ATOM   3046 C C    . PRO A 1 7  ? -7.115  -8.049  1.191  1.00 2.22  ?  7  PRO A C    14 
ATOM   3047 O O    . PRO A 1 7  ? -7.748  -7.578  2.137  1.00 33.15 ?  7  PRO A O    14 
ATOM   3048 C CB   . PRO A 1 7  ? -8.168  -8.639  -1.009 1.00 22.34 ?  7  PRO A CB   14 
ATOM   3049 C CG   . PRO A 1 7  ? -7.131  -9.431  -1.729 1.00 41.54 ?  7  PRO A CG   14 
ATOM   3050 C CD   . PRO A 1 7  ? -6.030  -8.464  -2.064 1.00 33.00 ?  7  PRO A CD   14 
ATOM   3051 H HA   . PRO A 1 7  ? -7.941  -6.657  -0.211 1.00 64.43 ?  7  PRO A HA   14 
ATOM   3052 H HB2  . PRO A 1 7  ? -8.725  -9.254  -0.317 1.00 50.11 ?  7  PRO A HB2  14 
ATOM   3053 H HB3  . PRO A 1 7  ? -8.846  -8.157  -1.698 1.00 12.35 ?  7  PRO A HB3  14 
ATOM   3054 H HG2  . PRO A 1 7  ? -6.760  -10.217 -1.091 1.00 2.22  ?  7  PRO A HG2  14 
ATOM   3055 H HG3  . PRO A 1 7  ? -7.551  -9.847  -2.633 1.00 75.12 ?  7  PRO A HG3  14 
ATOM   3056 H HD2  . PRO A 1 7  ? -5.069  -8.956  -2.019 1.00 2.45  ?  7  PRO A HD2  14 
ATOM   3057 H HD3  . PRO A 1 7  ? -6.189  -8.033  -3.042 1.00 65.12 ?  7  PRO A HD3  14 
ATOM   3058 N N    . ARG A 1 8  ? -6.177  -8.979  1.339  1.00 31.05 ?  8  ARG A N    14 
ATOM   3059 C CA   . ARG A 1 8  ? -5.829  -9.512  2.651  1.00 53.43 ?  8  ARG A CA   14 
ATOM   3060 C C    . ARG A 1 8  ? -5.298  -8.410  3.562  1.00 65.42 ?  8  ARG A C    14 
ATOM   3061 O O    . ARG A 1 8  ? -5.551  -8.410  4.767  1.00 24.44 ?  8  ARG A O    14 
ATOM   3062 C CB   . ARG A 1 8  ? -4.786  -10.623 2.513  1.00 63.11 ?  8  ARG A CB   14 
ATOM   3063 C CG   . ARG A 1 8  ? -4.045  -10.925 3.806  1.00 71.54 ?  8  ARG A CG   14 
ATOM   3064 C CD   . ARG A 1 8  ? -3.813  -12.417 3.978  1.00 24.33 ?  8  ARG A CD   14 
ATOM   3065 N NE   . ARG A 1 8  ? -3.588  -12.779 5.375  1.00 70.34 ?  8  ARG A NE   14 
ATOM   3066 C CZ   . ARG A 1 8  ? -3.356  -14.021 5.785  1.00 35.53 ?  8  ARG A CZ   14 
ATOM   3067 N NH1  . ARG A 1 8  ? -3.316  -15.016 4.908  1.00 63.04 1  8  ARG A NH1  14 
ATOM   3068 N NH2  . ARG A 1 8  ? -3.162  -14.271 7.073  1.00 10.15 ?  8  ARG A NH2  14 
ATOM   3069 H H    . ARG A 1 8  ? -5.707  -9.315  0.547  1.00 64.21 ?  8  ARG A H    14 
ATOM   3070 H HA   . ARG A 1 8  ? -6.725  -9.925  3.089  1.00 73.52 ?  8  ARG A HA   14 
ATOM   3071 H HB2  . ARG A 1 8  ? -5.280  -11.526 2.188  1.00 61.45 ?  8  ARG A HB2  14 
ATOM   3072 H HB3  . ARG A 1 8  ? -4.062  -10.329 1.769  1.00 40.11 ?  8  ARG A HB3  14 
ATOM   3073 H HG2  . ARG A 1 8  ? -3.090  -10.422 3.788  1.00 53.32 ?  8  ARG A HG2  14 
ATOM   3074 H HG3  . ARG A 1 8  ? -4.630  -10.562 4.638  1.00 30.32 ?  8  ARG A HG3  14 
ATOM   3075 H HD2  . ARG A 1 8  ? -4.679  -12.949 3.613  1.00 53.54 ?  8  ARG A HD2  14 
ATOM   3076 H HD3  . ARG A 1 8  ? -2.946  -12.702 3.398  1.00 33.33 ?  8  ARG A HD3  14 
ATOM   3077 H HE   . ARG A 1 8  ? -3.614  -12.060 6.040  1.00 23.04 ?  8  ARG A HE   14 
ATOM   3078 H HH11 . ARG A 1 8  ? -3.461  -14.830 3.936  1.00 14.24 ?  8  ARG A HH11 14 
ATOM   3079 H HH12 . ARG A 1 8  ? -3.139  -15.950 5.219  1.00 53.33 ?  8  ARG A HH12 14 
ATOM   3080 H HH21 . ARG A 1 8  ? -3.191  -13.524 7.737  1.00 72.15 ?  8  ARG A HH21 14 
ATOM   3081 H HH22 . ARG A 1 8  ? -2.987  -15.206 7.381  1.00 51.31 ?  8  ARG A HH22 14 
ATOM   3082 N N    . CYS A 1 9  ? -4.561  -7.471  2.979  1.00 23.53 ?  9  CYS A N    14 
ATOM   3083 C CA   . CYS A 1 9  ? -3.992  -6.363  3.737  1.00 21.11 ?  9  CYS A CA   14 
ATOM   3084 C C    . CYS A 1 9  ? -4.977  -5.201  3.824  1.00 22.01 ?  9  CYS A C    14 
ATOM   3085 O O    . CYS A 1 9  ? -5.024  -4.487  4.825  1.00 24.12 ?  9  CYS A O    14 
ATOM   3086 C CB   . CYS A 1 9  ? -2.687  -5.893  3.092  1.00 13.23 ?  9  CYS A CB   14 
ATOM   3087 S SG   . CYS A 1 9  ? -1.193  -6.308  4.049  1.00 54.11 ?  9  CYS A SG   14 
ATOM   3088 H H    . CYS A 1 9  ? -4.393  -7.525  2.014  1.00 40.33 ?  9  CYS A H    14 
ATOM   3089 H HA   . CYS A 1 9  ? -3.783  -6.718  4.735  1.00 20.44 ?  9  CYS A HA   14 
ATOM   3090 H HB2  . CYS A 1 9  ? -2.590  -6.351  2.118  1.00 24.41 ?  9  CYS A HB2  14 
ATOM   3091 H HB3  . CYS A 1 9  ? -2.718  -4.820  2.978  1.00 71.44 ?  9  CYS A HB3  14 
ATOM   3092 N N    . ARG A 1 10 ? -5.763  -5.018  2.768  1.00 3.34  ?  10 ARG A N    14 
ATOM   3093 C CA   . ARG A 1 10 ? -6.746  -3.943  2.724  1.00 22.50 ?  10 ARG A CA   14 
ATOM   3094 C C    . ARG A 1 10 ? -7.628  -3.962  3.969  1.00 41.43 ?  10 ARG A C    14 
ATOM   3095 O O    . ARG A 1 10 ? -8.037  -2.914  4.467  1.00 53.40 ?  10 ARG A O    14 
ATOM   3096 C CB   . ARG A 1 10 ? -7.614  -4.068  1.470  1.00 31.33 ?  10 ARG A CB   14 
ATOM   3097 C CG   . ARG A 1 10 ? -8.645  -2.960  1.330  1.00 21.23 ?  10 ARG A CG   14 
ATOM   3098 C CD   . ARG A 1 10 ? -8.087  -1.775  0.557  1.00 41.14 ?  10 ARG A CD   14 
ATOM   3099 N NE   . ARG A 1 10 ? -8.217  -1.952  -0.886 1.00 43.11 ?  10 ARG A NE   14 
ATOM   3100 C CZ   . ARG A 1 10 ? -7.795  -1.062  -1.777 1.00 63.03 ?  10 ARG A CZ   14 
ATOM   3101 N NH1  . ARG A 1 10 ? -7.218  0.062   -1.375 1.00 13.21 1  10 ARG A NH1  14 
ATOM   3102 N NH2  . ARG A 1 10 ? -7.949  -1.296  -3.075 1.00 73.00 ?  10 ARG A NH2  14 
ATOM   3103 H H    . ARG A 1 10 ? -5.679  -5.621  2.000  1.00 4.50  ?  10 ARG A H    14 
ATOM   3104 H HA   . ARG A 1 10 ? -6.212  -3.006  2.689  1.00 22.35 ?  10 ARG A HA   14 
ATOM   3105 H HB2  . ARG A 1 10 ? -6.974  -4.046  0.600  1.00 62.12 ?  10 ARG A HB2  14 
ATOM   3106 H HB3  . ARG A 1 10 ? -8.134  -5.013  1.500  1.00 64.12 ?  10 ARG A HB3  14 
ATOM   3107 H HG2  . ARG A 1 10 ? -9.505  -3.346  0.804  1.00 70.13 ?  10 ARG A HG2  14 
ATOM   3108 H HG3  . ARG A 1 10 ? -8.941  -2.630  2.314  1.00 3.04  ?  10 ARG A HG3  14 
ATOM   3109 H HD2  . ARG A 1 10 ? -8.625  -0.886  0.850  1.00 75.31 ?  10 ARG A HD2  14 
ATOM   3110 H HD3  . ARG A 1 10 ? -7.042  -1.661  0.804  1.00 15.42 ?  10 ARG A HD3  14 
ATOM   3111 H HE   . ARG A 1 10 ? -8.640  -2.776  -1.206 1.00 22.23 ?  10 ARG A HE   14 
ATOM   3112 H HH11 . ARG A 1 10 ? -7.100  0.239   -0.398 1.00 73.23 ?  10 ARG A HH11 14 
ATOM   3113 H HH12 . ARG A 1 10 ? -6.900  0.730   -2.048 1.00 55.15 ?  10 ARG A HH12 14 
ATOM   3114 H HH21 . ARG A 1 10 ? -8.382  -2.142  -3.382 1.00 54.34 ?  10 ARG A HH21 14 
ATOM   3115 H HH22 . ARG A 1 10 ? -7.631  -0.625  -3.744 1.00 52.33 ?  10 ARG A HH22 14 
HETATM 3116 N N    . IYR A 1 11 ? -7.916  -5.160  4.467  1.00 4.14  ?  11 IYR A N    14 
HETATM 3117 C CA   . IYR A 1 11 ? -8.752  -5.316  5.656  1.00 0.21  ?  11 IYR A CA   14 
HETATM 3118 C CB   . IYR A 1 11 ? -8.824  -6.806  6.119  1.00 41.10 ?  11 IYR A CB   14 
HETATM 3119 C CC   . IYR A 1 11 ? -10.034 -7.536  5.578  1.00 75.23 ?  11 IYR A CC   14 
HETATM 3120 C CD   . IYR A 1 11 ? -10.259 -7.610  4.199  1.00 61.33 ?  11 IYR A CD   14 
HETATM 3121 C CE   . IYR A 1 11 ? -11.365 -8.290  3.692  1.00 42.44 ?  11 IYR A CE   14 
HETATM 3122 I IE   . IYR A 1 11 ? -11.663 -8.377  1.557  1.00 44.41 ?  11 IYR A IE   14 
HETATM 3123 C CF   . IYR A 1 11 ? -12.283 -8.921  4.543  1.00 74.31 ?  11 IYR A CF   14 
HETATM 3124 O OF   . IYR A 1 11 ? -13.406 -9.611  4.144  1.00 52.10 ?  11 IYR A OF   14 
HETATM 3125 C CG   . IYR A 1 11 ? -12.050 -8.842  5.926  1.00 73.43 ?  11 IYR A CG   14 
HETATM 3126 C CH   . IYR A 1 11 ? -10.950 -8.166  6.434  1.00 10.04 ?  11 IYR A CH   14 
HETATM 3127 C C    . IYR A 1 11 ? -8.062  -4.501  6.768  1.00 25.12 ?  11 IYR A C    14 
HETATM 3128 O O    . IYR A 1 11 ? -8.703  -3.701  7.450  1.00 74.52 ?  11 IYR A O    14 
HETATM 3129 H H    . IYR A 1 11 ? -7.561  -5.959  4.024  1.00 14.32 ?  11 IYR A H    14 
HETATM 3130 H HA   . IYR A 1 11 ? -9.753  -4.941  5.429  1.00 72.33 ?  11 IYR A HA   14 
HETATM 3131 H HB2  . IYR A 1 11 ? -7.904  -7.297  5.782  1.00 11.51 ?  11 IYR A HB2  14 
HETATM 3132 H HB3  . IYR A 1 11 ? -8.830  -6.824  7.215  1.00 60.32 ?  11 IYR A HB3  14 
HETATM 3133 H HD   . IYR A 1 11 ? -9.572  -7.124  3.515  1.00 22.10 ?  11 IYR A HD   14 
HETATM 3134 H HF   . IYR A 1 11 ? -13.773 -9.241  3.295  1.00 73.54 ?  11 IYR A HF   14 
HETATM 3135 H HG   . IYR A 1 11 ? -12.765 -9.328  6.580  1.00 11.24 ?  11 IYR A HG   14 
HETATM 3136 H HH   . IYR A 1 11 ? -10.797 -8.123  7.507  1.00 13.23 ?  11 IYR A HH   14 
ATOM   3137 N N    . GLN A 1 12 ? -6.762  -4.717  6.935  1.00 64.22 ?  12 GLN A N    14 
ATOM   3138 C CA   . GLN A 1 12 ? -5.995  -4.012  7.954  1.00 44.33 ?  12 GLN A CA   14 
ATOM   3139 C C    . GLN A 1 12 ? -5.853  -2.535  7.601  1.00 33.45 ?  12 GLN A C    14 
ATOM   3140 O O    . GLN A 1 12 ? -5.960  -1.666  8.468  1.00 13.21 ?  12 GLN A O    14 
ATOM   3141 C CB   . GLN A 1 12 ? -4.612  -4.646  8.112  1.00 31.21 ?  12 GLN A CB   14 
ATOM   3142 C CG   . GLN A 1 12 ? -4.598  -5.850  9.040  1.00 72.54 ?  12 GLN A CG   14 
ATOM   3143 C CD   . GLN A 1 12 ? -3.205  -6.411  9.246  1.00 2.41  ?  12 GLN A CD   14 
ATOM   3144 O OE1  . GLN A 1 12 ? -2.341  -6.295  8.376  1.00 4.14  ?  12 GLN A OE1  14 
ATOM   3145 N NE2  . GLN A 1 12 ? -2.978  -7.025  10.402 1.00 42.44 ?  12 GLN A NE2  14 
ATOM   3146 H H    . GLN A 1 12 ? -6.309  -5.367  6.360  1.00 63.03 ?  12 GLN A H    14 
ATOM   3147 H HA   . GLN A 1 12 ? -6.529  -4.096  8.888  1.00 74.14 ?  12 GLN A HA   14 
ATOM   3148 H HB2  . GLN A 1 12 ? -4.262  -4.962  7.141  1.00 65.51 ?  12 GLN A HB2  14 
ATOM   3149 H HB3  . GLN A 1 12 ? -3.933  -3.906  8.508  1.00 55.52 ?  12 GLN A HB3  14 
ATOM   3150 H HG2  . GLN A 1 12 ? -4.994  -5.553  10.000 1.00 33.31 ?  12 GLN A HG2  14 
ATOM   3151 H HG3  . GLN A 1 12 ? -5.222  -6.623  8.617  1.00 2.55  ?  12 GLN A HG3  14 
ATOM   3152 H HE21 . GLN A 1 12 ? -3.714  -7.081  11.048 1.00 20.44 ?  12 GLN A HE21 14 
ATOM   3153 H HE22 . GLN A 1 12 ? -2.087  -7.397  10.561 1.00 41.34 ?  12 GLN A HE22 14 
ATOM   3154 N N    . CYS A 1 13 ? -5.609  -2.257  6.326  1.00 25.25 ?  13 CYS A N    14 
ATOM   3155 C CA   . CYS A 1 13 ? -5.451  -0.884  5.858  1.00 24.34 ?  13 CYS A CA   14 
ATOM   3156 C C    . CYS A 1 13 ? -6.698  -0.060  6.160  1.00 61.23 ?  13 CYS A C    14 
ATOM   3157 O O    . CYS A 1 13 ? -6.610  1.132   6.455  1.00 1.13  ?  13 CYS A O    14 
ATOM   3158 C CB   . CYS A 1 13 ? -5.165  -0.866  4.355  1.00 11.44 ?  13 CYS A CB   14 
ATOM   3159 S SG   . CYS A 1 13 ? -3.549  -0.148  3.914  1.00 70.22 ?  13 CYS A SG   14 
ATOM   3160 H H    . CYS A 1 13 ? -5.533  -2.992  5.681  1.00 70.11 ?  13 CYS A H    14 
ATOM   3161 H HA   . CYS A 1 13 ? -4.612  -0.451  6.380  1.00 71.43 ?  13 CYS A HA   14 
ATOM   3162 H HB2  . CYS A 1 13 ? -5.187  -1.879  3.979  1.00 64.53 ?  13 CYS A HB2  14 
ATOM   3163 H HB3  . CYS A 1 13 ? -5.929  -0.287  3.859  1.00 23.34 ?  13 CYS A HB3  14 
ATOM   3164 N N    . TYR A 1 14 ? -7.857  -0.702  6.085  1.00 22.23 ?  14 TYR A N    14 
ATOM   3165 C CA   . TYR A 1 14 ? -9.124  -0.029  6.349  1.00 41.03 ?  14 TYR A CA   14 
ATOM   3166 C C    . TYR A 1 14 ? -9.489  -0.112  7.827  1.00 41.31 ?  14 TYR A C    14 
ATOM   3167 O O    . TYR A 1 14 ? -10.501 -0.706  8.198  1.00 14.42 ?  14 TYR A O    14 
ATOM   3168 C CB   . TYR A 1 14 ? -10.238 -0.643  5.501  1.00 50.31 ?  14 TYR A CB   14 
ATOM   3169 C CG   . TYR A 1 14 ? -11.420 0.278   5.295  1.00 32.42 ?  14 TYR A CG   14 
ATOM   3170 C CD1  . TYR A 1 14 ? -11.445 1.182   4.240  1.00 72.15 ?  14 TYR A CD1  14 
ATOM   3171 C CD2  . TYR A 1 14 ? -12.511 0.245   6.155  1.00 25.42 ?  14 TYR A CD2  14 
ATOM   3172 C CE1  . TYR A 1 14 ? -12.522 2.025   4.048  1.00 24.03 ?  14 TYR A CE1  14 
ATOM   3173 C CE2  . TYR A 1 14 ? -13.592 1.084   5.969  1.00 41.21 ?  14 TYR A CE2  14 
ATOM   3174 C CZ   . TYR A 1 14 ? -13.593 1.972   4.914  1.00 60.41 ?  14 TYR A CZ   14 
ATOM   3175 O OH   . TYR A 1 14 ? -14.669 2.811   4.727  1.00 51.03 ?  14 TYR A OH   14 
ATOM   3176 H H    . TYR A 1 14 ? -7.864  -1.652  5.846  1.00 44.30 ?  14 TYR A H    14 
ATOM   3177 H HA   . TYR A 1 14 ? -9.010  1.011   6.076  1.00 0.44  ?  14 TYR A HA   14 
ATOM   3178 H HB2  . TYR A 1 14 ? -9.844  -0.898  4.530  1.00 42.13 ?  14 TYR A HB2  14 
ATOM   3179 H HB3  . TYR A 1 14 ? -10.597 -1.539  5.986  1.00 64.40 ?  14 TYR A HB3  14 
ATOM   3180 H HD1  . TYR A 1 14 ? -10.604 1.222   3.563  1.00 1.23  ?  14 TYR A HD1  14 
ATOM   3181 H HD2  . TYR A 1 14 ? -12.507 -0.452  6.980  1.00 52.34 ?  14 TYR A HD2  14 
ATOM   3182 H HE1  . TYR A 1 14 ? -12.523 2.722   3.222  1.00 35.44 ?  14 TYR A HE1  14 
ATOM   3183 H HE2  . TYR A 1 14 ? -14.432 1.042   6.648  1.00 11.21 ?  14 TYR A HE2  14 
ATOM   3184 H HH   . TYR A 1 14 ? -15.104 2.593   3.899  1.00 34.25 ?  14 TYR A HH   14 
ATOM   3185 N N    . LYS A 1 15 ? -8.654  0.488   8.671  1.00 31.30 ?  15 LYS A N    14 
ATOM   3186 C CA   . LYS A 1 15 ? -8.888  0.485   10.110 1.00 33.13 ?  15 LYS A CA   14 
ATOM   3187 C C    . LYS A 1 15 ? -10.204 1.178   10.450 1.00 75.54 ?  15 LYS A C    14 
ATOM   3188 O O    . LYS A 1 15 ? -10.637 1.178   11.602 1.00 12.22 ?  15 LYS A O    14 
ATOM   3189 C CB   . LYS A 1 15 ? -7.732  1.177   10.835 1.00 23.42 ?  15 LYS A CB   14 
ATOM   3190 C CG   . LYS A 1 15 ? -7.629  2.664   10.537 1.00 42.22 ?  15 LYS A CG   14 
ATOM   3191 C CD   . LYS A 1 15 ? -6.265  3.215   10.916 1.00 3.15  ?  15 LYS A CD   14 
ATOM   3192 C CE   . LYS A 1 15 ? -6.099  4.655   10.454 1.00 5.10  ?  15 LYS A CE   14 
ATOM   3193 N NZ   . LYS A 1 15 ? -7.205  5.525   10.941 1.00 24.11 1  15 LYS A NZ   14 
ATOM   3194 H H    . LYS A 1 15 ? -7.863  0.947   8.316  1.00 14.13 ?  15 LYS A H    14 
ATOM   3195 H HA   . LYS A 1 15 ? -8.942  -0.543  10.435 1.00 62.33 ?  15 LYS A HA   14 
ATOM   3196 H HB2  . LYS A 1 15 ? -7.866  1.054   11.901 1.00 40.30 ?  15 LYS A HB2  14 
ATOM   3197 H HB3  . LYS A 1 15 ? -6.805  0.708   10.541 1.00 33.21 ?  15 LYS A HB3  14 
ATOM   3198 H HG2  . LYS A 1 15 ? -7.790  2.821   9.482  1.00 44.53 ?  15 LYS A HG2  14 
ATOM   3199 H HG3  . LYS A 1 15 ? -8.389  3.187   11.101 1.00 11.25 ?  15 LYS A HG3  14 
ATOM   3200 H HD2  . LYS A 1 15 ? -6.157  3.179   11.989 1.00 72.23 ?  15 LYS A HD2  14 
ATOM   3201 H HD3  . LYS A 1 15 ? -5.500  2.607   10.454 1.00 53.42 ?  15 LYS A HD3  14 
ATOM   3202 H HE2  . LYS A 1 15 ? -5.161  5.033   10.831 1.00 34.30 ?  15 LYS A HE2  14 
ATOM   3203 H HE3  . LYS A 1 15 ? -6.086  4.673   9.374  1.00 22.05 ?  15 LYS A HE3  14 
ATOM   3204 H HZ1  . LYS A 1 15 ? -6.821  6.422   11.302 1.00 60.33 ?  15 LYS A HZ1  14 
ATOM   3205 H HZ2  . LYS A 1 15 ? -7.865  5.731   10.165 1.00 62.45 ?  15 LYS A HZ2  14 
ATOM   3206 H HZ3  . LYS A 1 15 ? -7.723  5.049   11.707 1.00 41.22 ?  15 LYS A HZ3  14 
HETATM 3207 N N    . PCA A 1 1  ? 4.790   -6.123  -4.184 1.00 11.13 ?  1  PCA A N    15 
HETATM 3208 C CA   . PCA A 1 1  ? 5.052   -4.935  -3.327 1.00 24.44 ?  1  PCA A CA   15 
HETATM 3209 C CB   . PCA A 1 1  ? 6.003   -4.092  -4.184 1.00 44.42 ?  1  PCA A CB   15 
HETATM 3210 C CG   . PCA A 1 1  ? 5.622   -4.440  -5.628 1.00 33.24 ?  1  PCA A CG   15 
HETATM 3211 C CD   . PCA A 1 1  ? 5.075   -5.853  -5.546 1.00 11.24 ?  1  PCA A CD   15 
HETATM 3212 O OE   . PCA A 1 1  ? 4.892   -6.624  -6.468 1.00 22.43 ?  1  PCA A OE   15 
HETATM 3213 C C    . PCA A 1 1  ? 3.745   -4.177  -2.991 1.00 35.00 ?  1  PCA A C    15 
HETATM 3214 O O    . PCA A 1 1  ? 2.762   -4.259  -3.726 1.00 53.44 ?  1  PCA A O    15 
HETATM 3215 H HA   . PCA A 1 1  ? 5.507   -5.281  -2.395 1.00 63.24 ?  1  PCA A HA   15 
HETATM 3216 H HB2  . PCA A 1 1  ? 5.898   -3.028  -3.958 1.00 51.22 ?  1  PCA A HB2  15 
HETATM 3217 H HB3  . PCA A 1 1  ? 7.030   -4.397  -3.977 1.00 62.35 ?  1  PCA A HB3  15 
HETATM 3218 H HG2  . PCA A 1 1  ? 4.824   -3.791  -6.003 1.00 32.34 ?  1  PCA A HG2  15 
HETATM 3219 H HG3  . PCA A 1 1  ? 6.449   -4.403  -6.343 1.00 1.32  ?  1  PCA A HG3  15 
ATOM   3220 N N    . GLY A 1 2  ? 3.758   -3.447  -1.879 1.00 41.40 ?  2  GLY A N    15 
ATOM   3221 C CA   . GLY A 1 2  ? 2.585   -2.697  -1.471 1.00 31.12 ?  2  GLY A CA   15 
ATOM   3222 C C    . GLY A 1 2  ? 1.440   -3.596  -1.045 1.00 64.33 ?  2  GLY A C    15 
ATOM   3223 O O    . GLY A 1 2  ? 0.596   -3.967  -1.862 1.00 60.30 ?  2  GLY A O    15 
ATOM   3224 H H    . GLY A 1 2  ? 4.570   -3.419  -1.332 1.00 2.33  ?  2  GLY A H    15 
ATOM   3225 H HA2  . GLY A 1 2  ? 2.852   -2.055  -0.644 1.00 1.55  ?  2  GLY A HA2  15 
ATOM   3226 H HA3  . GLY A 1 2  ? 2.257   -2.084  -2.298 1.00 61.12 ?  2  GLY A HA3  15 
ATOM   3227 N N    . CYS A 1 3  ? 1.410   -3.946  0.236  1.00 5.34  ?  3  CYS A N    15 
ATOM   3228 C CA   . CYS A 1 3  ? 0.363   -4.808  0.768  1.00 74.31 ?  3  CYS A CA   15 
ATOM   3229 C C    . CYS A 1 3  ? -0.952  -4.047  0.904  1.00 50.31 ?  3  CYS A C    15 
ATOM   3230 O O    . CYS A 1 3  ? -2.029  -4.603  0.693  1.00 54.34 ?  3  CYS A O    15 
ATOM   3231 C CB   . CYS A 1 3  ? 0.781   -5.374  2.128  1.00 62.42 ?  3  CYS A CB   15 
ATOM   3232 S SG   . CYS A 1 3  ? 0.123   -7.037  2.475  1.00 34.43 ?  3  CYS A SG   15 
ATOM   3233 H H    . CYS A 1 3  ? 2.111   -3.618  0.838  1.00 52.12 ?  3  CYS A H    15 
ATOM   3234 H HA   . CYS A 1 3  ? 0.222   -5.625  0.077  1.00 31.55 ?  3  CYS A HA   15 
ATOM   3235 H HB2  . CYS A 1 3  ? 1.858   -5.433  2.168  1.00 65.14 ?  3  CYS A HB2  15 
ATOM   3236 H HB3  . CYS A 1 3  ? 0.432   -4.712  2.907  1.00 35.30 ?  3  CYS A HB3  15 
ATOM   3237 N N    . CYS A 1 4  ? -0.855  -2.769  1.260  1.00 4.35  ?  4  CYS A N    15 
ATOM   3238 C CA   . CYS A 1 4  ? -2.035  -1.930  1.425  1.00 71.11 ?  4  CYS A CA   15 
ATOM   3239 C C    . CYS A 1 4  ? -2.921  -1.986  0.183  1.00 22.25 ?  4  CYS A C    15 
ATOM   3240 O O    . CYS A 1 4  ? -4.143  -1.860  0.272  1.00 50.41 ?  4  CYS A O    15 
ATOM   3241 C CB   . CYS A 1 4  ? -1.622  -0.483  1.706  1.00 32.54 ?  4  CYS A CB   15 
ATOM   3242 S SG   . CYS A 1 4  ? -2.827  0.455   2.698  1.00 53.23 ?  4  CYS A SG   15 
ATOM   3243 H H    . CYS A 1 4  ? 0.033   -2.382  1.415  1.00 63.22 ?  4  CYS A H    15 
ATOM   3244 H HA   . CYS A 1 4  ? -2.594  -2.305  2.268  1.00 41.04 ?  4  CYS A HA   15 
ATOM   3245 H HB2  . CYS A 1 4  ? -0.685  -0.483  2.242  1.00 64.22 ?  4  CYS A HB2  15 
ATOM   3246 H HB3  . CYS A 1 4  ? -1.494  0.035   0.767  1.00 55.24 ?  4  CYS A HB3  15 
ATOM   3247 N N    . THR A 1 5  ? -2.296  -2.175  -0.974 1.00 33.14 ?  5  THR A N    15 
ATOM   3248 C CA   . THR A 1 5  ? -3.025  -2.247  -2.234 1.00 53.20 ?  5  THR A CA   15 
ATOM   3249 C C    . THR A 1 5  ? -3.853  -3.524  -2.317 1.00 2.14  ?  5  THR A C    15 
ATOM   3250 O O    . THR A 1 5  ? -4.911  -3.550  -2.949 1.00 45.33 ?  5  THR A O    15 
ATOM   3251 C CB   . THR A 1 5  ? -2.071  -2.188  -3.441 1.00 34.35 ?  5  THR A CB   15 
ATOM   3252 O OG1  . THR A 1 5  ? -1.004  -1.270  -3.177 1.00 72.22 ?  5  THR A OG1  15 
ATOM   3253 C CG2  . THR A 1 5  ? -2.813  -1.763  -4.699 1.00 23.04 ?  5  THR A CG2  15 
ATOM   3254 H H    . THR A 1 5  ? -1.320  -2.267  -0.981 1.00 60.31 ?  5  THR A H    15 
ATOM   3255 H HA   . THR A 1 5  ? -3.688  -1.395  -2.284 1.00 24.12 ?  5  THR A HA   15 
ATOM   3256 H HB   . THR A 1 5  ? -1.655  -3.173  -3.601 1.00 23.31 ?  5  THR A HB   15 
ATOM   3257 H HG1  . THR A 1 5  ? -1.362  -0.462  -2.801 1.00 50.44 ?  5  THR A HG1  15 
ATOM   3258 H HG21 . THR A 1 5  ? -2.104  -1.596  -5.496 1.00 45.03 ?  5  THR A HG21 15 
ATOM   3259 H HG22 . THR A 1 5  ? -3.504  -2.541  -4.988 1.00 42.20 ?  5  THR A HG22 15 
ATOM   3260 H HG23 . THR A 1 5  ? -3.359  -0.852  -4.504 1.00 23.13 ?  5  THR A HG23 15 
ATOM   3261 N N    . ASP A 1 6  ? -3.368  -4.581  -1.677 1.00 3.10  ?  6  ASP A N    15 
ATOM   3262 C CA   . ASP A 1 6  ? -4.065  -5.862  -1.678 1.00 50.31 ?  6  ASP A CA   15 
ATOM   3263 C C    . ASP A 1 6  ? -5.299  -5.810  -0.782 1.00 20.41 ?  6  ASP A C    15 
ATOM   3264 O O    . ASP A 1 6  ? -5.357  -5.062  0.193  1.00 44.31 ?  6  ASP A O    15 
ATOM   3265 C CB   . ASP A 1 6  ? -3.127  -6.978  -1.210 1.00 73.24 ?  6  ASP A CB   15 
ATOM   3266 C CG   . ASP A 1 6  ? -2.432  -7.672  -2.365 1.00 24.01 ?  6  ASP A CG   15 
ATOM   3267 O OD1  . ASP A 1 6  ? -1.335  -7.220  -2.756 1.00 3.32  ?  6  ASP A OD1  15 
ATOM   3268 O OD2  . ASP A 1 6  ? -2.984  -8.667  -2.877 1.00 15.43 -1 6  ASP A OD2  15 
ATOM   3269 H H    . ASP A 1 6  ? -2.520  -4.499  -1.191 1.00 22.03 ?  6  ASP A H    15 
ATOM   3270 H HA   . ASP A 1 6  ? -4.378  -6.069  -2.690 1.00 52.23 ?  6  ASP A HA   15 
ATOM   3271 H HB2  . ASP A 1 6  ? -2.372  -6.556  -0.561 1.00 62.22 ?  6  ASP A HB2  15 
ATOM   3272 H HB3  . ASP A 1 6  ? -3.698  -7.712  -0.662 1.00 75.25 ?  6  ASP A HB3  15 
ATOM   3273 N N    . PRO A 1 7  ? -6.310  -6.623  -1.121 1.00 4.05  ?  7  PRO A N    15 
ATOM   3274 C CA   . PRO A 1 7  ? -7.562  -6.688  -0.361 1.00 44.51 ?  7  PRO A CA   15 
ATOM   3275 C C    . PRO A 1 7  ? -7.376  -7.329  1.009  1.00 2.22  ?  7  PRO A C    15 
ATOM   3276 O O    . PRO A 1 7  ? -7.888  -6.831  2.013  1.00 33.15 ?  7  PRO A O    15 
ATOM   3277 C CB   . PRO A 1 7  ? -8.466  -7.557  -1.240 1.00 22.34 ?  7  PRO A CB   15 
ATOM   3278 C CG   . PRO A 1 7  ? -7.527  -8.394  -2.038 1.00 41.54 ?  7  PRO A CG   15 
ATOM   3279 C CD   . PRO A 1 7  ? -6.309  -7.543  -2.272 1.00 33.00 ?  7  PRO A CD   15 
ATOM   3280 H HA   . PRO A 1 7  ? -8.005  -5.709  -0.243 1.00 64.43 ?  7  PRO A HA   15 
ATOM   3281 H HB2  . PRO A 1 7  ? -9.104  -8.164  -0.614 1.00 50.11 ?  7  PRO A HB2  15 
ATOM   3282 H HB3  . PRO A 1 7  ? -9.069  -6.927  -1.875 1.00 12.35 ?  7  PRO A HB3  15 
ATOM   3283 H HG2  . PRO A 1 7  ? -7.264  -9.281  -1.482 1.00 2.22  ?  7  PRO A HG2  15 
ATOM   3284 H HG3  . PRO A 1 7  ? -7.983  -8.661  -2.979 1.00 75.12 ?  7  PRO A HG3  15 
ATOM   3285 H HD2  . PRO A 1 7  ? -5.418  -8.153  -2.277 1.00 2.45  ?  7  PRO A HD2  15 
ATOM   3286 H HD3  . PRO A 1 7  ? -6.402  -6.999  -3.199 1.00 65.12 ?  7  PRO A HD3  15 
ATOM   3287 N N    . ARG A 1 8  ? -6.640  -8.435  1.046  1.00 31.05 ?  8  ARG A N    15 
ATOM   3288 C CA   . ARG A 1 8  ? -6.387  -9.145  2.294  1.00 53.43 ?  8  ARG A CA   15 
ATOM   3289 C C    . ARG A 1 8  ? -5.696  -8.236  3.305  1.00 65.42 ?  8  ARG A C    15 
ATOM   3290 O O    . ARG A 1 8  ? -5.951  -8.319  4.507  1.00 24.44 ?  8  ARG A O    15 
ATOM   3291 C CB   . ARG A 1 8  ? -5.529  -10.384 2.035  1.00 63.11 ?  8  ARG A CB   15 
ATOM   3292 C CG   . ARG A 1 8  ? -4.839  -10.918 3.281  1.00 71.54 ?  8  ARG A CG   15 
ATOM   3293 C CD   . ARG A 1 8  ? -4.819  -12.438 3.298  1.00 24.33 ?  8  ARG A CD   15 
ATOM   3294 N NE   . ARG A 1 8  ? -3.925  -12.985 2.281  1.00 70.34 ?  8  ARG A NE   15 
ATOM   3295 C CZ   . ARG A 1 8  ? -3.544  -14.257 2.244  1.00 35.53 ?  8  ARG A CZ   15 
ATOM   3296 N NH1  . ARG A 1 8  ? -3.976  -15.108 3.164  1.00 63.04 1  8  ARG A NH1  15 
ATOM   3297 N NH2  . ARG A 1 8  ? -2.730  -14.679 1.286  1.00 10.15 ?  8  ARG A NH2  15 
ATOM   3298 H H    . ARG A 1 8  ? -6.259  -8.783  0.213  1.00 64.21 ?  8  ARG A H    15 
ATOM   3299 H HA   . ARG A 1 8  ? -7.340  -9.455  2.697  1.00 73.52 ?  8  ARG A HA   15 
ATOM   3300 H HB2  . ARG A 1 8  ? -6.157  -11.167 1.637  1.00 61.45 ?  8  ARG A HB2  15 
ATOM   3301 H HB3  . ARG A 1 8  ? -4.771  -10.137 1.308  1.00 40.11 ?  8  ARG A HB3  15 
ATOM   3302 H HG2  . ARG A 1 8  ? -3.822  -10.554 3.301  1.00 53.32 ?  8  ARG A HG2  15 
ATOM   3303 H HG3  . ARG A 1 8  ? -5.367  -10.563 4.153  1.00 30.32 ?  8  ARG A HG3  15 
ATOM   3304 H HD2  . ARG A 1 8  ? -4.485  -12.769 4.271  1.00 53.54 ?  8  ARG A HD2  15 
ATOM   3305 H HD3  . ARG A 1 8  ? -5.820  -12.800 3.118  1.00 33.33 ?  8  ARG A HD3  15 
ATOM   3306 H HE   . ARG A 1 8  ? -3.594  -12.373 1.591  1.00 23.04 ?  8  ARG A HE   15 
ATOM   3307 H HH11 . ARG A 1 8  ? -4.592  -14.793 3.887  1.00 14.24 ?  8  ARG A HH11 15 
ATOM   3308 H HH12 . ARG A 1 8  ? -3.689  -16.066 3.133  1.00 53.33 ?  8  ARG A HH12 15 
ATOM   3309 H HH21 . ARG A 1 8  ? -2.401  -14.040 0.590  1.00 72.15 ?  8  ARG A HH21 15 
ATOM   3310 H HH22 . ARG A 1 8  ? -2.443  -15.637 1.260  1.00 51.31 ?  8  ARG A HH22 15 
ATOM   3311 N N    . CYS A 1 9  ? -4.819  -7.368  2.811  1.00 23.53 ?  9  CYS A N    15 
ATOM   3312 C CA   . CYS A 1 9  ? -4.090  -6.444  3.670  1.00 21.11 ?  9  CYS A CA   15 
ATOM   3313 C C    . CYS A 1 9  ? -4.895  -5.169  3.907  1.00 22.01 ?  9  CYS A C    15 
ATOM   3314 O O    . CYS A 1 9  ? -4.836  -4.576  4.984  1.00 24.12 ?  9  CYS A O    15 
ATOM   3315 C CB   . CYS A 1 9  ? -2.736  -6.096  3.047  1.00 13.23 ?  9  CYS A CB   15 
ATOM   3316 S SG   . CYS A 1 9  ? -1.304  -6.728  3.979  1.00 54.11 ?  9  CYS A SG   15 
ATOM   3317 H H    . CYS A 1 9  ? -4.659  -7.349  1.843  1.00 40.33 ?  9  CYS A H    15 
ATOM   3318 H HA   . CYS A 1 9  ? -3.925  -6.931  4.619  1.00 20.44 ?  9  CYS A HA   15 
ATOM   3319 H HB2  . CYS A 1 9  ? -2.688  -6.513  2.052  1.00 24.41 ?  9  CYS A HB2  15 
ATOM   3320 H HB3  . CYS A 1 9  ? -2.641  -5.022  2.987  1.00 71.44 ?  9  CYS A HB3  15 
ATOM   3321 N N    . ARG A 1 10 ? -5.646  -4.754  2.891  1.00 3.34  ?  10 ARG A N    15 
ATOM   3322 C CA   . ARG A 1 10 ? -6.464  -3.550  2.989  1.00 22.50 ?  10 ARG A CA   15 
ATOM   3323 C C    . ARG A 1 10 ? -7.337  -3.585  4.239  1.00 41.43 ?  10 ARG A C    15 
ATOM   3324 O O    . ARG A 1 10 ? -7.588  -2.554  4.860  1.00 53.40 ?  10 ARG A O    15 
ATOM   3325 C CB   . ARG A 1 10 ? -7.340  -3.403  1.744  1.00 31.33 ?  10 ARG A CB   15 
ATOM   3326 C CG   . ARG A 1 10 ? -8.247  -2.182  1.778  1.00 21.23 ?  10 ARG A CG   15 
ATOM   3327 C CD   . ARG A 1 10 ? -7.465  -0.901  1.533  1.00 41.14 ?  10 ARG A CD   15 
ATOM   3328 N NE   . ARG A 1 10 ? -7.446  -0.535  0.119  1.00 43.11 ?  10 ARG A NE   15 
ATOM   3329 C CZ   . ARG A 1 10 ? -6.944  0.608   -0.337 1.00 63.03 ?  10 ARG A CZ   15 
ATOM   3330 N NH1  . ARG A 1 10 ? -6.423  1.489   0.504  1.00 13.21 1  10 ARG A NH1  15 
ATOM   3331 N NH2  . ARG A 1 10 ? -6.962  0.869   -1.638 1.00 73.00 ?  10 ARG A NH2  15 
ATOM   3332 H H    . ARG A 1 10 ? -5.651  -5.269  2.058  1.00 4.50  ?  10 ARG A H    15 
ATOM   3333 H HA   . ARG A 1 10 ? -5.798  -2.702  3.051  1.00 22.35 ?  10 ARG A HA   15 
ATOM   3334 H HB2  . ARG A 1 10 ? -6.704  -3.326  0.875  1.00 62.12 ?  10 ARG A HB2  15 
ATOM   3335 H HB3  . ARG A 1 10 ? -7.961  -4.282  1.649  1.00 64.12 ?  10 ARG A HB3  15 
ATOM   3336 H HG2  . ARG A 1 10 ? -9.000  -2.283  1.012  1.00 70.13 ?  10 ARG A HG2  15 
ATOM   3337 H HG3  . ARG A 1 10 ? -8.720  -2.126  2.748  1.00 3.04  ?  10 ARG A HG3  15 
ATOM   3338 H HD2  . ARG A 1 10 ? -7.923  -0.102  2.095  1.00 75.31 ?  10 ARG A HD2  15 
ATOM   3339 H HD3  . ARG A 1 10 ? -6.450  -1.045  1.872  1.00 15.42 ?  10 ARG A HD3  15 
ATOM   3340 H HE   . ARG A 1 10 ? -7.825  -1.173  -0.520 1.00 22.23 ?  10 ARG A HE   15 
ATOM   3341 H HH11 . ARG A 1 10 ? -6.407  1.294   1.485  1.00 73.23 ?  10 ARG A HH11 15 
ATOM   3342 H HH12 . ARG A 1 10 ? -6.046  2.349   0.159  1.00 55.15 ?  10 ARG A HH12 15 
ATOM   3343 H HH21 . ARG A 1 10 ? -7.353  0.206   -2.276 1.00 54.34 ?  10 ARG A HH21 15 
ATOM   3344 H HH22 . ARG A 1 10 ? -6.585  1.729   -1.981 1.00 52.33 ?  10 ARG A HH22 15 
HETATM 3345 N N    . IYR A 1 11 ? -7.796  -4.778  4.601  1.00 4.14  ?  11 IYR A N    15 
HETATM 3346 C CA   . IYR A 1 11 ? -8.644  -4.948  5.779  1.00 0.21  ?  11 IYR A CA   15 
HETATM 3347 C CB   . IYR A 1 11 ? -8.932  -6.456  6.071  1.00 41.10 ?  11 IYR A CB   15 
HETATM 3348 C CC   . IYR A 1 11 ? -10.236 -6.936  5.469  1.00 75.23 ?  11 IYR A CC   15 
HETATM 3349 C CD   . IYR A 1 11 ? -10.466 -6.825  4.093  1.00 61.33 ?  11 IYR A CD   15 
HETATM 3350 C CE   . IYR A 1 11 ? -11.659 -7.275  3.530  1.00 42.44 ?  11 IYR A CE   15 
HETATM 3351 I IE   . IYR A 1 11 ? -11.961 -7.082  1.402  1.00 44.41 ?  11 IYR A IE   15 
HETATM 3352 C CF   . IYR A 1 11 ? -12.661 -7.854  4.321  1.00 74.31 ?  11 IYR A CF   15 
HETATM 3353 O OF   . IYR A 1 11 ? -13.874 -8.323  3.863  1.00 52.10 ?  11 IYR A OF   15 
HETATM 3354 C CG   . IYR A 1 11 ? -12.424 -7.963  5.701  1.00 73.43 ?  11 IYR A CG   15 
HETATM 3355 C CH   . IYR A 1 11 ? -11.237 -7.515  6.265  1.00 10.04 ?  11 IYR A CH   15 
HETATM 3356 C C    . IYR A 1 11 ? -7.844  -4.375  6.965  1.00 25.12 ?  11 IYR A C    15 
HETATM 3357 O O    . IYR A 1 11 ? -8.358  -3.572  7.742  1.00 74.52 ?  11 IYR A O    15 
HETATM 3358 H H    . IYR A 1 11 ? -7.561  -5.564  4.063  1.00 14.32 ?  11 IYR A H    15 
HETATM 3359 H HA   . IYR A 1 11 ? -9.581  -4.409  5.614  1.00 72.33 ?  11 IYR A HA   15 
HETATM 3360 H HB2  . IYR A 1 11 ? -8.094  -7.032  5.664  1.00 11.51 ?  11 IYR A HB2  15 
HETATM 3361 H HB3  . IYR A 1 11 ? -8.942  -6.599  7.157  1.00 60.32 ?  11 IYR A HB3  15 
HETATM 3362 H HD   . IYR A 1 11 ? -9.713  -6.373  3.458  1.00 22.10 ?  11 IYR A HD   15 
HETATM 3363 H HF   . IYR A 1 11 ? -13.752 -8.937  3.088  1.00 73.54 ?  11 IYR A HF   15 
HETATM 3364 H HG   . IYR A 1 11 ? -13.203 -8.406  6.307  1.00 11.24 ?  11 IYR A HG   15 
HETATM 3365 H HH   . IYR A 1 11 ? -11.082 -7.612  7.333  1.00 13.23 ?  11 IYR A HH   15 
ATOM   3366 N N    . GLN A 1 12 ? -6.590  -4.800  7.086  1.00 64.22 ?  12 GLN A N    15 
ATOM   3367 C CA   . GLN A 1 12 ? -5.727  -4.336  8.166  1.00 44.33 ?  12 GLN A CA   15 
ATOM   3368 C C    . GLN A 1 12 ? -5.373  -2.863  7.984  1.00 33.45 ?  12 GLN A C    15 
ATOM   3369 O O    . GLN A 1 12 ? -5.355  -2.095  8.946  1.00 13.21 ?  12 GLN A O    15 
ATOM   3370 C CB   . GLN A 1 12 ? -4.450  -5.176  8.224  1.00 31.21 ?  12 GLN A CB   15 
ATOM   3371 C CG   . GLN A 1 12 ? -3.469  -4.716  9.289  1.00 72.54 ?  12 GLN A CG   15 
ATOM   3372 C CD   . GLN A 1 12 ? -2.618  -5.850  9.827  1.00 2.41  ?  12 GLN A CD   15 
ATOM   3373 O OE1  . GLN A 1 12 ? -3.137  -6.849  10.328 1.00 4.14  ?  12 GLN A OE1  15 
ATOM   3374 N NE2  . GLN A 1 12 ? -1.301  -5.703  9.727  1.00 42.44 ?  12 GLN A NE2  15 
ATOM   3375 H H    . GLN A 1 12 ? -6.238  -5.441  6.435  1.00 63.03 ?  12 GLN A H    15 
ATOM   3376 H HA   . GLN A 1 12 ? -6.267  -4.451  9.093  1.00 74.14 ?  12 GLN A HA   15 
ATOM   3377 H HB2  . GLN A 1 12 ? -4.719  -6.202  8.430  1.00 65.51 ?  12 GLN A HB2  15 
ATOM   3378 H HB3  . GLN A 1 12 ? -3.957  -5.126  7.264  1.00 55.52 ?  12 GLN A HB3  15 
ATOM   3379 H HG2  . GLN A 1 12 ? -2.816  -3.970  8.861  1.00 33.31 ?  12 GLN A HG2  15 
ATOM   3380 H HG3  . GLN A 1 12 ? -4.023  -4.282  10.108 1.00 2.55  ?  12 GLN A HG3  15 
ATOM   3381 H HE21 . GLN A 1 12 ? -0.959  -4.880  9.317  1.00 20.44 ?  12 GLN A HE21 15 
ATOM   3382 H HE22 . GLN A 1 12 ? -0.729  -6.420  10.067 1.00 41.34 ?  12 GLN A HE22 15 
ATOM   3383 N N    . CYS A 1 13 ? -5.091  -2.476  6.745  1.00 25.25 ?  13 CYS A N    15 
ATOM   3384 C CA   . CYS A 1 13 ? -4.736  -1.096  6.436  1.00 24.34 ?  13 CYS A CA   15 
ATOM   3385 C C    . CYS A 1 13 ? -5.851  -0.142  6.851  1.00 61.23 ?  13 CYS A C    15 
ATOM   3386 O O    . CYS A 1 13 ? -5.593  0.983   7.280  1.00 1.13  ?  13 CYS A O    15 
ATOM   3387 C CB   . CYS A 1 13 ? -4.450  -0.943  4.940  1.00 11.44 ?  13 CYS A CB   15 
ATOM   3388 S SG   . CYS A 1 13 ? -2.803  -0.263  4.564  1.00 70.22 ?  13 CYS A SG   15 
ATOM   3389 H H    . CYS A 1 13 ? -5.122  -3.135  6.018  1.00 70.11 ?  13 CYS A H    15 
ATOM   3390 H HA   . CYS A 1 13 ? -3.843  -0.851  6.991  1.00 71.43 ?  13 CYS A HA   15 
ATOM   3391 H HB2  . CYS A 1 13 ? -4.520  -1.912  4.468  1.00 64.53 ?  13 CYS A HB2  15 
ATOM   3392 H HB3  . CYS A 1 13 ? -5.186  -0.283  4.506  1.00 23.34 ?  13 CYS A HB3  15 
ATOM   3393 N N    . TYR A 1 14 ? -7.092  -0.599  6.723  1.00 22.23 ?  14 TYR A N    15 
ATOM   3394 C CA   . TYR A 1 14 ? -8.247  0.214   7.084  1.00 41.03 ?  14 TYR A CA   15 
ATOM   3395 C C    . TYR A 1 14 ? -9.511  -0.637  7.159  1.00 41.31 ?  14 TYR A C    15 
ATOM   3396 O O    . TYR A 1 14 ? -9.796  -1.428  6.260  1.00 14.42 ?  14 TYR A O    15 
ATOM   3397 C CB   . TYR A 1 14 ? -8.440  1.343   6.068  1.00 50.31 ?  14 TYR A CB   15 
ATOM   3398 C CG   . TYR A 1 14 ? -9.112  2.568   6.646  1.00 32.42 ?  14 TYR A CG   15 
ATOM   3399 C CD1  . TYR A 1 14 ? -8.453  3.379   7.562  1.00 72.15 ?  14 TYR A CD1  15 
ATOM   3400 C CD2  . TYR A 1 14 ? -10.405 2.915   6.275  1.00 25.42 ?  14 TYR A CD2  15 
ATOM   3401 C CE1  . TYR A 1 14 ? -9.063  4.499   8.093  1.00 24.03 ?  14 TYR A CE1  15 
ATOM   3402 C CE2  . TYR A 1 14 ? -11.022 4.034   6.800  1.00 41.21 ?  14 TYR A CE2  15 
ATOM   3403 C CZ   . TYR A 1 14 ? -10.348 4.822   7.707  1.00 60.41 ?  14 TYR A CZ   15 
ATOM   3404 O OH   . TYR A 1 14 ? -10.959 5.938   8.233  1.00 51.03 ?  14 TYR A OH   15 
ATOM   3405 H H    . TYR A 1 14 ? -7.235  -1.504  6.377  1.00 44.30 ?  14 TYR A H    15 
ATOM   3406 H HA   . TYR A 1 14 ? -8.059  0.646   8.056  1.00 0.44  ?  14 TYR A HA   15 
ATOM   3407 H HB2  . TYR A 1 14 ? -7.476  1.642   5.687  1.00 42.13 ?  14 TYR A HB2  15 
ATOM   3408 H HB3  . TYR A 1 14 ? -9.049  0.983   5.252  1.00 64.40 ?  14 TYR A HB3  15 
ATOM   3409 H HD1  . TYR A 1 14 ? -7.447  3.122   7.862  1.00 1.23  ?  14 TYR A HD1  15 
ATOM   3410 H HD2  . TYR A 1 14 ? -10.931 2.295   5.563  1.00 52.34 ?  14 TYR A HD2  15 
ATOM   3411 H HE1  . TYR A 1 14 ? -8.534  5.117   8.804  1.00 35.44 ?  14 TYR A HE1  15 
ATOM   3412 H HE2  . TYR A 1 14 ? -12.028 4.288   6.498  1.00 11.21 ?  14 TYR A HE2  15 
ATOM   3413 H HH   . TYR A 1 14 ? -10.721 6.026   9.159  1.00 34.25 ?  14 TYR A HH   15 
ATOM   3414 N N    . LYS A 1 15 ? -10.265 -0.470  8.240  1.00 31.30 ?  15 LYS A N    15 
ATOM   3415 C CA   . LYS A 1 15 ? -11.501 -1.220  8.436  1.00 33.13 ?  15 LYS A CA   15 
ATOM   3416 C C    . LYS A 1 15 ? -12.515 -0.893  7.344  1.00 75.54 ?  15 LYS A C    15 
ATOM   3417 O O    . LYS A 1 15 ? -13.179 0.143   7.391  1.00 12.22 ?  15 LYS A O    15 
ATOM   3418 C CB   . LYS A 1 15 ? -12.097 -0.911  9.811  1.00 23.42 ?  15 LYS A CB   15 
ATOM   3419 C CG   . LYS A 1 15 ? -11.094 -1.014  10.947 1.00 42.22 ?  15 LYS A CG   15 
ATOM   3420 C CD   . LYS A 1 15 ? -10.452 -2.391  11.000 1.00 3.15  ?  15 LYS A CD   15 
ATOM   3421 C CE   . LYS A 1 15 ? -11.488 -3.479  11.235 1.00 5.10  ?  15 LYS A CE   15 
ATOM   3422 N NZ   . LYS A 1 15 ? -10.862 -4.752  11.691 1.00 24.11 1  15 LYS A NZ   15 
ATOM   3423 H H    . LYS A 1 15 ? -9.985  0.176   8.923  1.00 14.13 ?  15 LYS A H    15 
ATOM   3424 H HA   . LYS A 1 15 ? -11.261 -2.271  8.385  1.00 62.33 ?  15 LYS A HA   15 
ATOM   3425 H HB2  . LYS A 1 15 ? -12.494 0.094   9.800  1.00 40.30 ?  15 LYS A HB2  15 
ATOM   3426 H HB3  . LYS A 1 15 ? -12.902 -1.605  10.006 1.00 33.21 ?  15 LYS A HB3  15 
ATOM   3427 H HG2  . LYS A 1 15 ? -10.321 -0.274  10.801 1.00 44.53 ?  15 LYS A HG2  15 
ATOM   3428 H HG3  . LYS A 1 15 ? -11.602 -0.827  11.882 1.00 11.25 ?  15 LYS A HG3  15 
ATOM   3429 H HD2  . LYS A 1 15 ? -9.952  -2.582  10.062 1.00 72.23 ?  15 LYS A HD2  15 
ATOM   3430 H HD3  . LYS A 1 15 ? -9.731  -2.411  11.805 1.00 53.42 ?  15 LYS A HD3  15 
ATOM   3431 H HE2  . LYS A 1 15 ? -12.183 -3.141  11.989 1.00 34.30 ?  15 LYS A HE2  15 
ATOM   3432 H HE3  . LYS A 1 15 ? -12.018 -3.660  10.312 1.00 22.05 ?  15 LYS A HE3  15 
ATOM   3433 H HZ1  . LYS A 1 15 ? -11.192 -5.543  11.102 1.00 60.33 ?  15 LYS A HZ1  15 
ATOM   3434 H HZ2  . LYS A 1 15 ? -9.826  -4.686  11.616 1.00 62.45 ?  15 LYS A HZ2  15 
ATOM   3435 H HZ3  . LYS A 1 15 ? -11.116 -4.940  12.681 1.00 41.22 ?  15 LYS A HZ3  15 
HETATM 3436 N N    . PCA A 1 1  ? 5.896   -4.087  -0.077 1.00 11.13 ?  1  PCA A N    16 
HETATM 3437 C CA   . PCA A 1 1  ? 5.625   -2.878  -0.903 1.00 24.44 ?  1  PCA A CA   16 
HETATM 3438 C CB   . PCA A 1 1  ? 6.898   -2.715  -1.743 1.00 44.42 ?  1  PCA A CB   16 
HETATM 3439 C CG   . PCA A 1 1  ? 7.997   -3.359  -0.889 1.00 33.24 ?  1  PCA A CG   16 
HETATM 3440 C CD   . PCA A 1 1  ? 7.276   -4.410  -0.067 1.00 11.24 ?  1  PCA A CD   16 
HETATM 3441 O OE   . PCA A 1 1  ? 7.767   -5.370  0.493  1.00 22.43 ?  1  PCA A OE   16 
HETATM 3442 C C    . PCA A 1 1  ? 4.358   -3.059  -1.775 1.00 35.00 ?  1  PCA A C    16 
HETATM 3443 O O    . PCA A 1 1  ? 4.384   -3.758  -2.787 1.00 53.44 ?  1  PCA A O    16 
HETATM 3444 H HA   . PCA A 1 1  ? 5.470   -2.032  -0.229 1.00 63.24 ?  1  PCA A HA   16 
HETATM 3445 H HB2  . PCA A 1 1  ? 6.780   -3.191  -2.719 1.00 51.22 ?  1  PCA A HB2  16 
HETATM 3446 H HB3  . PCA A 1 1  ? 7.102   -1.654  -1.890 1.00 62.35 ?  1  PCA A HB3  16 
HETATM 3447 H HG2  . PCA A 1 1  ? 8.743   -3.870  -1.508 1.00 32.34 ?  1  PCA A HG2  16 
HETATM 3448 H HG3  . PCA A 1 1  ? 8.527   -2.668  -0.225 1.00 1.32  ?  1  PCA A HG3  16 
ATOM   3449 N N    . GLY A 1 2  ? 3.267   -2.421  -1.364 1.00 41.40 ?  2  GLY A N    16 
ATOM   3450 C CA   . GLY A 1 2  ? 2.024   -2.522  -2.108 1.00 31.12 ?  2  GLY A CA   16 
ATOM   3451 C C    . GLY A 1 2  ? 1.104   -3.594  -1.557 1.00 64.33 ?  2  GLY A C    16 
ATOM   3452 O O    . GLY A 1 2  ? 0.572   -4.411  -2.309 1.00 60.30 ?  2  GLY A O    16 
ATOM   3453 H H    . GLY A 1 2  ? 3.305   -1.878  -0.549 1.00 2.33  ?  2  GLY A H    16 
ATOM   3454 H HA2  . GLY A 1 2  ? 1.515   -1.571  -2.067 1.00 1.55  ?  2  GLY A HA2  16 
ATOM   3455 H HA3  . GLY A 1 2  ? 2.252   -2.754  -3.137 1.00 61.12 ?  2  GLY A HA3  16 
ATOM   3456 N N    . CYS A 1 3  ? 0.918   -3.592  -0.241 1.00 5.34  ?  3  CYS A N    16 
ATOM   3457 C CA   . CYS A 1 3  ? 0.058   -4.573  0.411  1.00 74.31 ?  3  CYS A CA   16 
ATOM   3458 C C    . CYS A 1 3  ? -1.380  -4.069  0.490  1.00 50.31 ?  3  CYS A C    16 
ATOM   3459 O O    . CYS A 1 3  ? -2.329  -4.849  0.403  1.00 54.34 ?  3  CYS A O    16 
ATOM   3460 C CB   . CYS A 1 3  ? 0.579   -4.885  1.814  1.00 62.42 ?  3  CYS A CB   16 
ATOM   3461 S SG   . CYS A 1 3  ? 0.288   -6.602  2.351  1.00 34.43 ?  3  CYS A SG   16 
ATOM   3462 H H    . CYS A 1 3  ? 1.370   -2.915  0.306  1.00 52.12 ?  3  CYS A H    16 
ATOM   3463 H HA   . CYS A 1 3  ? 0.078   -5.477  -0.180 1.00 31.55 ?  3  CYS A HA   16 
ATOM   3464 H HB2  . CYS A 1 3  ? 1.645   -4.710  1.842  1.00 65.14 ?  3  CYS A HB2  16 
ATOM   3465 H HB3  . CYS A 1 3  ? 0.092   -4.232  2.525  1.00 35.30 ?  3  CYS A HB3  16 
ATOM   3466 N N    . CYS A 1 4  ? -1.534  -2.760  0.656  1.00 4.35  ?  4  CYS A N    16 
ATOM   3467 C CA   . CYS A 1 4  ? -2.855  -2.150  0.747  1.00 71.11 ?  4  CYS A CA   16 
ATOM   3468 C C    . CYS A 1 4  ? -3.728  -2.564  -0.433 1.00 22.25 ?  4  CYS A C    16 
ATOM   3469 O O    . CYS A 1 4  ? -4.951  -2.652  -0.315 1.00 50.41 ?  4  CYS A O    16 
ATOM   3470 C CB   . CYS A 1 4  ? -2.733  -0.625  0.795  1.00 32.54 ?  4  CYS A CB   16 
ATOM   3471 S SG   . CYS A 1 4  ? -4.135  0.208   1.606  1.00 53.23 ?  4  CYS A SG   16 
ATOM   3472 H H    . CYS A 1 4  ? -0.738  -2.189  0.718  1.00 63.22 ?  4  CYS A H    16 
ATOM   3473 H HA   . CYS A 1 4  ? -3.317  -2.494  1.660  1.00 41.04 ?  4  CYS A HA   16 
ATOM   3474 H HB2  . CYS A 1 4  ? -1.836  -0.359  1.336  1.00 64.22 ?  4  CYS A HB2  16 
ATOM   3475 H HB3  . CYS A 1 4  ? -2.664  -0.245  -0.214 1.00 55.24 ?  4  CYS A HB3  16 
ATOM   3476 N N    . THR A 1 5  ? -3.093  -2.820  -1.572 1.00 33.14 ?  5  THR A N    16 
ATOM   3477 C CA   . THR A 1 5  ? -3.811  -3.225  -2.774 1.00 53.20 ?  5  THR A CA   16 
ATOM   3478 C C    . THR A 1 5  ? -4.386  -4.628  -2.623 1.00 2.14  ?  5  THR A C    16 
ATOM   3479 O O    . THR A 1 5  ? -5.427  -4.947  -3.198 1.00 45.33 ?  5  THR A O    16 
ATOM   3480 C CB   . THR A 1 5  ? -2.897  -3.187  -4.014 1.00 34.35 ?  5  THR A CB   16 
ATOM   3481 O OG1  . THR A 1 5  ? -3.674  -3.373  -5.201 1.00 72.22 ?  5  THR A OG1  16 
ATOM   3482 C CG2  . THR A 1 5  ? -1.825  -4.263  -3.929 1.00 23.04 ?  5  THR A CG2  16 
ATOM   3483 H H    . THR A 1 5  ? -2.117  -2.732  -1.603 1.00 60.31 ?  5  THR A H    16 
ATOM   3484 H HA   . THR A 1 5  ? -4.621  -2.528  -2.929 1.00 24.12 ?  5  THR A HA   16 
ATOM   3485 H HB   . THR A 1 5  ? -2.413  -2.221  -4.056 1.00 23.31 ?  5  THR A HB   16 
ATOM   3486 H HG1  . THR A 1 5  ? -3.478  -2.671  -5.826 1.00 50.44 ?  5  THR A HG1  16 
ATOM   3487 H HG21 . THR A 1 5  ? -2.135  -5.125  -4.502 1.00 45.03 ?  5  THR A HG21 16 
ATOM   3488 H HG22 . THR A 1 5  ? -0.898  -3.880  -4.328 1.00 42.20 ?  5  THR A HG22 16 
ATOM   3489 H HG23 . THR A 1 5  ? -1.683  -4.550  -2.898 1.00 23.13 ?  5  THR A HG23 16 
ATOM   3490 N N    . ASP A 1 6  ? -3.703  -5.463  -1.849 1.00 3.10  ?  6  ASP A N    16 
ATOM   3491 C CA   . ASP A 1 6  ? -4.147  -6.833  -1.621 1.00 50.31 ?  6  ASP A CA   16 
ATOM   3492 C C    . ASP A 1 6  ? -5.405  -6.860  -0.758 1.00 20.41 ?  6  ASP A C    16 
ATOM   3493 O O    . ASP A 1 6  ? -5.636  -5.982  0.074  1.00 44.31 ?  6  ASP A O    16 
ATOM   3494 C CB   . ASP A 1 6  ? -3.039  -7.648  -0.954 1.00 73.24 ?  6  ASP A CB   16 
ATOM   3495 C CG   . ASP A 1 6  ? -1.904  -7.970  -1.905 1.00 24.01 ?  6  ASP A CG   16 
ATOM   3496 O OD1  . ASP A 1 6  ? -1.221  -7.026  -2.357 1.00 3.32  ?  6  ASP A OD1  16 
ATOM   3497 O OD2  . ASP A 1 6  ? -1.698  -9.165  -2.200 1.00 15.43 -1 6  ASP A OD2  16 
ATOM   3498 H H    . ASP A 1 6  ? -2.880  -5.150  -1.418 1.00 22.03 ?  6  ASP A H    16 
ATOM   3499 H HA   . ASP A 1 6  ? -4.376  -7.271  -2.581 1.00 52.23 ?  6  ASP A HA   16 
ATOM   3500 H HB2  . ASP A 1 6  ? -2.638  -7.086  -0.123 1.00 62.22 ?  6  ASP A HB2  16 
ATOM   3501 H HB3  . ASP A 1 6  ? -3.453  -8.577  -0.588 1.00 75.25 ?  6  ASP A HB3  16 
ATOM   3502 N N    . PRO A 1 7  ? -6.240  -7.890  -0.960 1.00 4.05  ?  7  PRO A N    16 
ATOM   3503 C CA   . PRO A 1 7  ? -7.489  -8.056  -0.211 1.00 44.51 ?  7  PRO A CA   16 
ATOM   3504 C C    . PRO A 1 7  ? -7.244  -8.413  1.251  1.00 2.22  ?  7  PRO A C    16 
ATOM   3505 O O    . PRO A 1 7  ? -7.866  -7.847  2.151  1.00 33.15 ?  7  PRO A O    16 
ATOM   3506 C CB   . PRO A 1 7  ? -8.186  -9.211  -0.934 1.00 22.34 ?  7  PRO A CB   16 
ATOM   3507 C CG   . PRO A 1 7  ? -7.082  -9.982  -1.569 1.00 41.54 ?  7  PRO A CG   16 
ATOM   3508 C CD   . PRO A 1 7  ? -6.029  -8.973  -1.935 1.00 33.00 ?  7  PRO A CD   16 
ATOM   3509 H HA   . PRO A 1 7  ? -8.105  -7.170  -0.265 1.00 64.43 ?  7  PRO A HA   16 
ATOM   3510 H HB2  . PRO A 1 7  ? -8.729  -9.811  -0.218 1.00 50.11 ?  7  PRO A HB2  16 
ATOM   3511 H HB3  . PRO A 1 7  ? -8.869  -8.817  -1.672 1.00 12.35 ?  7  PRO A HB3  16 
ATOM   3512 H HG2  . PRO A 1 7  ? -6.685  -10.700 -0.867 1.00 2.22  ?  7  PRO A HG2  16 
ATOM   3513 H HG3  . PRO A 1 7  ? -7.446  -10.482 -2.454 1.00 75.12 ?  7  PRO A HG3  16 
ATOM   3514 H HD2  . PRO A 1 7  ? -5.044  -9.401  -1.830 1.00 2.45  ?  7  PRO A HD2  16 
ATOM   3515 H HD3  . PRO A 1 7  ? -6.181  -8.618  -2.944 1.00 65.12 ?  7  PRO A HD3  16 
ATOM   3516 N N    . ARG A 1 8  ? -6.335  -9.355  1.481  1.00 31.05 ?  8  ARG A N    16 
ATOM   3517 C CA   . ARG A 1 8  ? -6.010  -9.788  2.835  1.00 53.43 ?  8  ARG A CA   16 
ATOM   3518 C C    . ARG A 1 8  ? -5.415  -8.640  3.645  1.00 65.42 ?  8  ARG A C    16 
ATOM   3519 O O    . ARG A 1 8  ? -5.661  -8.521  4.846  1.00 24.44 ?  8  ARG A O    16 
ATOM   3520 C CB   . ARG A 1 8  ? -5.027  -10.960 2.796  1.00 63.11 ?  8  ARG A CB   16 
ATOM   3521 C CG   . ARG A 1 8  ? -4.283  -11.176 4.104  1.00 71.54 ?  8  ARG A CG   16 
ATOM   3522 C CD   . ARG A 1 8  ? -4.023  -12.652 4.360  1.00 24.33 ?  8  ARG A CD   16 
ATOM   3523 N NE   . ARG A 1 8  ? -3.033  -12.859 5.412  1.00 70.34 ?  8  ARG A NE   16 
ATOM   3524 C CZ   . ARG A 1 8  ? -2.391  -14.007 5.603  1.00 35.53 ?  8  ARG A CZ   16 
ATOM   3525 N NH1  . ARG A 1 8  ? -2.634  -15.045 4.815  1.00 63.04 1  8  ARG A NH1  16 
ATOM   3526 N NH2  . ARG A 1 8  ? -1.504  -14.117 6.583  1.00 10.15 ?  8  ARG A NH2  16 
ATOM   3527 H H    . ARG A 1 8  ? -5.872  -9.769  0.723  1.00 64.21 ?  8  ARG A H    16 
ATOM   3528 H HA   . ARG A 1 8  ? -6.924  -10.112 3.309  1.00 73.52 ?  8  ARG A HA   16 
ATOM   3529 H HB2  . ARG A 1 8  ? -5.571  -11.864 2.564  1.00 61.45 ?  8  ARG A HB2  16 
ATOM   3530 H HB3  . ARG A 1 8  ? -4.300  -10.778 2.019  1.00 40.11 ?  8  ARG A HB3  16 
ATOM   3531 H HG2  . ARG A 1 8  ? -3.337  -10.658 4.059  1.00 53.32 ?  8  ARG A HG2  16 
ATOM   3532 H HG3  . ARG A 1 8  ? -4.876  -10.779 4.914  1.00 30.32 ?  8  ARG A HG3  16 
ATOM   3533 H HD2  . ARG A 1 8  ? -4.950  -13.122 4.653  1.00 53.54 ?  8  ARG A HD2  16 
ATOM   3534 H HD3  . ARG A 1 8  ? -3.664  -13.104 3.446  1.00 33.33 ?  8  ARG A HD3  16 
ATOM   3535 H HE   . ARG A 1 8  ? -2.838  -12.105 6.007  1.00 23.04 ?  8  ARG A HE   16 
ATOM   3536 H HH11 . ARG A 1 8  ? -3.301  -14.964 4.074  1.00 14.24 ?  8  ARG A HH11 16 
ATOM   3537 H HH12 . ARG A 1 8  ? -2.148  -15.907 4.959  1.00 53.33 ?  8  ARG A HH12 16 
ATOM   3538 H HH21 . ARG A 1 8  ? -1.317  -13.336 7.179  1.00 72.15 ?  8  ARG A HH21 16 
ATOM   3539 H HH22 . ARG A 1 8  ? -1.021  -14.981 6.725  1.00 51.31 ?  8  ARG A HH22 16 
ATOM   3540 N N    . CYS A 1 9  ? -4.632  -7.797  2.981  1.00 23.53 ?  9  CYS A N    16 
ATOM   3541 C CA   . CYS A 1 9  ? -4.002  -6.658  3.637  1.00 21.11 ?  9  CYS A CA   16 
ATOM   3542 C C    . CYS A 1 9  ? -4.970  -5.484  3.738  1.00 22.01 ?  9  CYS A C    16 
ATOM   3543 O O    . CYS A 1 9  ? -4.951  -4.732  4.713  1.00 24.12 ?  9  CYS A O    16 
ATOM   3544 C CB   . CYS A 1 9  ? -2.745  -6.234  2.874  1.00 13.23 ?  9  CYS A CB   16 
ATOM   3545 S SG   . CYS A 1 9  ? -1.195  -6.473  3.802  1.00 54.11 ?  9  CYS A SG   16 
ATOM   3546 H H    . CYS A 1 9  ? -4.474  -7.944  2.024  1.00 40.33 ?  9  CYS A H    16 
ATOM   3547 H HA   . CYS A 1 9  ? -3.720  -6.964  4.634  1.00 20.44 ?  9  CYS A HA   16 
ATOM   3548 H HB2  . CYS A 1 9  ? -2.674  -6.812  1.964  1.00 24.41 ?  9  CYS A HB2  16 
ATOM   3549 H HB3  . CYS A 1 9  ? -2.822  -5.186  2.625  1.00 71.44 ?  9  CYS A HB3  16 
ATOM   3550 N N    . ARG A 1 10 ? -5.816  -5.333  2.725  1.00 3.34  ?  10 ARG A N    16 
ATOM   3551 C CA   . ARG A 1 10 ? -6.791  -4.250  2.698  1.00 22.50 ?  10 ARG A CA   16 
ATOM   3552 C C    . ARG A 1 10 ? -7.601  -4.216  3.990  1.00 41.43 ?  10 ARG A C    16 
ATOM   3553 O O    . ARG A 1 10 ? -7.958  -3.146  4.482  1.00 53.40 ?  10 ARG A O    16 
ATOM   3554 C CB   . ARG A 1 10 ? -7.729  -4.408  1.499  1.00 31.33 ?  10 ARG A CB   16 
ATOM   3555 C CG   . ARG A 1 10 ? -8.906  -3.447  1.516  1.00 21.23 ?  10 ARG A CG   16 
ATOM   3556 C CD   . ARG A 1 10 ? -9.528  -3.305  0.136  1.00 41.14 ?  10 ARG A CD   16 
ATOM   3557 N NE   . ARG A 1 10 ? -10.290 -2.065  0.004  1.00 43.11 ?  10 ARG A NE   16 
ATOM   3558 C CZ   . ARG A 1 10 ? -10.917 -1.704  -1.110 1.00 63.03 ?  10 ARG A CZ   16 
ATOM   3559 N NH1  . ARG A 1 10 ? -10.875 -2.484  -2.182 1.00 13.21 1  10 ARG A NH1  16 
ATOM   3560 N NH2  . ARG A 1 10 ? -11.589 -0.560  -1.153 1.00 73.00 ?  10 ARG A NH2  16 
ATOM   3561 H H    . ARG A 1 10 ? -5.783  -5.964  1.976  1.00 4.50  ?  10 ARG A H    16 
ATOM   3562 H HA   . ARG A 1 10 ? -6.251  -3.319  2.601  1.00 22.35 ?  10 ARG A HA   16 
ATOM   3563 H HB2  . ARG A 1 10 ? -7.167  -4.239  0.593  1.00 62.12 ?  10 ARG A HB2  16 
ATOM   3564 H HB3  . ARG A 1 10 ? -8.115  -5.416  1.491  1.00 64.12 ?  10 ARG A HB3  16 
ATOM   3565 H HG2  . ARG A 1 10 ? -9.654  -3.820  2.199  1.00 70.13 ?  10 ARG A HG2  16 
ATOM   3566 H HG3  . ARG A 1 10 ? -8.563  -2.478  1.849  1.00 3.04  ?  10 ARG A HG3  16 
ATOM   3567 H HD2  . ARG A 1 10 ? -8.741  -3.313  -0.602 1.00 75.31 ?  10 ARG A HD2  16 
ATOM   3568 H HD3  . ARG A 1 10 ? -10.189 -4.142  -0.034 1.00 15.42 ?  10 ARG A HD3  16 
ATOM   3569 H HE   . ARG A 1 10 ? -10.333 -1.475  0.783  1.00 22.23 ?  10 ARG A HE   16 
ATOM   3570 H HH11 . ARG A 1 10 ? -10.371 -3.346  -2.152 1.00 73.23 ?  10 ARG A HH11 16 
ATOM   3571 H HH12 . ARG A 1 10 ? -11.350 -2.209  -3.018 1.00 55.15 ?  10 ARG A HH12 16 
ATOM   3572 H HH21 . ARG A 1 10 ? -11.623 0.030   -0.347 1.00 54.34 ?  10 ARG A HH21 16 
ATOM   3573 H HH22 . ARG A 1 10 ? -12.060 -0.289  -1.991 1.00 52.33 ?  10 ARG A HH22 16 
HETATM 3574 N N    . IYR A 1 11 ? -7.887  -5.394  4.534  1.00 4.14  ?  11 IYR A N    16 
HETATM 3575 C CA   . IYR A 1 11 ? -8.658  -5.500  5.772  1.00 0.21  ?  11 IYR A CA   16 
HETATM 3576 C CB   . IYR A 1 11 ? -8.749  -6.978  6.271  1.00 41.10 ?  11 IYR A CB   16 
HETATM 3577 C CC   . IYR A 1 11 ? -10.129 -7.349  6.770  1.00 75.23 ?  11 IYR A CC   16 
HETATM 3578 C CD   . IYR A 1 11 ? -11.194 -7.491  5.873  1.00 61.33 ?  11 IYR A CD   16 
HETATM 3579 C CE   . IYR A 1 11 ? -12.465 -7.843  6.324  1.00 42.44 ?  11 IYR A CE   16 
HETATM 3580 I IE   . IYR A 1 11 ? -14.071 -8.054  4.898  1.00 44.41 ?  11 IYR A IE   16 
HETATM 3581 C CF   . IYR A 1 11 ? -12.715 -8.068  7.684  1.00 74.31 ?  11 IYR A CF   16 
HETATM 3582 O OF   . IYR A 1 11 ? -13.933 -8.414  8.231  1.00 52.10 ?  11 IYR A OF   16 
HETATM 3583 C CG   . IYR A 1 11 ? -11.642 -7.925  8.579  1.00 73.43 ?  11 IYR A CG   16 
HETATM 3584 C CH   . IYR A 1 11 ? -10.376 -7.574  8.133  1.00 10.04 ?  11 IYR A CH   16 
HETATM 3585 C C    . IYR A 1 11 ? -7.881  -4.687  6.827  1.00 25.12 ?  11 IYR A C    16 
HETATM 3586 O O    . IYR A 1 11 ? -8.457  -3.860  7.533  1.00 74.52 ?  11 IYR A O    16 
HETATM 3587 H H    . IYR A 1 11 ? -7.574  -6.212  4.094  1.00 14.32 ?  11 IYR A H    16 
HETATM 3588 H HA   . IYR A 1 11 ? -9.658  -5.098  5.594  1.00 72.33 ?  11 IYR A HA   16 
HETATM 3589 H HB2  . IYR A 1 11 ? -8.465  -7.623  5.431  1.00 11.51 ?  11 IYR A HB2  16 
HETATM 3590 H HB3  . IYR A 1 11 ? -8.009  -7.119  7.066  1.00 60.32 ?  11 IYR A HB3  16 
HETATM 3591 H HD   . IYR A 1 11 ? -11.033 -7.315  4.816  1.00 22.10 ?  11 IYR A HD   16 
HETATM 3592 H HF   . IYR A 1 11 ? -14.181 -7.798  8.974  1.00 73.54 ?  11 IYR A HF   16 
HETATM 3593 H HG   . IYR A 1 11 ? -11.843 -8.094  9.630  1.00 11.24 ?  11 IYR A HG   16 
HETATM 3594 H HH   . IYR A 1 11 ? -9.567  -7.469  8.847  1.00 13.23 ?  11 IYR A HH   16 
ATOM   3595 N N    . GLN A 1 12 ? -6.579  -4.936  6.917  1.00 64.22 ?  12 GLN A N    16 
ATOM   3596 C CA   . GLN A 1 12 ? -5.733  -4.235  7.876  1.00 44.33 ?  12 GLN A CA   16 
ATOM   3597 C C    . GLN A 1 12 ? -5.596  -2.761  7.506  1.00 33.45 ?  12 GLN A C    16 
ATOM   3598 O O    . GLN A 1 12 ? -5.592  -1.889  8.375  1.00 13.21 ?  12 GLN A O    16 
ATOM   3599 C CB   . GLN A 1 12 ? -4.351  -4.886  7.940  1.00 31.21 ?  12 GLN A CB   16 
ATOM   3600 C CG   . GLN A 1 12 ? -3.595  -4.586  9.225  1.00 72.54 ?  12 GLN A CG   16 
ATOM   3601 C CD   . GLN A 1 12 ? -3.956  -5.537  10.350 1.00 2.41  ?  12 GLN A CD   16 
ATOM   3602 O OE1  . GLN A 1 12 ? -4.102  -6.741  10.137 1.00 4.14  ?  12 GLN A OE1  16 
ATOM   3603 N NE2  . GLN A 1 12 ? -4.100  -5.000  11.556 1.00 42.44 ?  12 GLN A NE2  16 
ATOM   3604 H H    . GLN A 1 12 ? -6.178  -5.606  6.327  1.00 63.03 ?  12 GLN A H    16 
ATOM   3605 H HA   . GLN A 1 12 ? -6.200  -4.308  8.846  1.00 74.14 ?  12 GLN A HA   16 
ATOM   3606 H HB2  . GLN A 1 12 ? -4.467  -5.957  7.857  1.00 65.51 ?  12 GLN A HB2  16 
ATOM   3607 H HB3  . GLN A 1 12 ? -3.759  -4.531  7.110  1.00 55.52 ?  12 GLN A HB3  16 
ATOM   3608 H HG2  . GLN A 1 12 ? -2.536  -4.667  9.032  1.00 33.31 ?  12 GLN A HG2  16 
ATOM   3609 H HG3  . GLN A 1 12 ? -3.828  -3.579  9.537  1.00 2.55  ?  12 GLN A HG3  16 
ATOM   3610 H HE21 . GLN A 1 12 ? -3.970  -4.033  11.650 1.00 20.44 ?  12 GLN A HE21 16 
ATOM   3611 H HE22 . GLN A 1 12 ? -4.334  -5.591  12.300 1.00 41.34 ?  12 GLN A HE22 16 
ATOM   3612 N N    . CYS A 1 13 ? -5.486  -2.489  6.210  1.00 25.25 ?  13 CYS A N    16 
ATOM   3613 C CA   . CYS A 1 13 ? -5.347  -1.122  5.723  1.00 24.34 ?  13 CYS A CA   16 
ATOM   3614 C C    . CYS A 1 13 ? -6.549  -0.276  6.133  1.00 61.23 ?  13 CYS A C    16 
ATOM   3615 O O    . CYS A 1 13 ? -6.416  0.916   6.412  1.00 1.13  ?  13 CYS A O    16 
ATOM   3616 C CB   . CYS A 1 13 ? -5.199  -1.113  4.201  1.00 11.44 ?  13 CYS A CB   16 
ATOM   3617 S SG   . CYS A 1 13 ? -3.915  0.025   3.586  1.00 70.22 ?  13 CYS A SG   16 
ATOM   3618 H H    . CYS A 1 13 ? -5.496  -3.227  5.563  1.00 70.11 ?  13 CYS A H    16 
ATOM   3619 H HA   . CYS A 1 13 ? -4.459  -0.700  6.166  1.00 71.43 ?  13 CYS A HA   16 
ATOM   3620 H HB2  . CYS A 1 13 ? -4.943  -2.107  3.865  1.00 64.53 ?  13 CYS A HB2  16 
ATOM   3621 H HB3  . CYS A 1 13 ? -6.139  -0.821  3.757  1.00 23.34 ?  13 CYS A HB3  16 
ATOM   3622 N N    . TYR A 1 14 ? -7.721  -0.900  6.168  1.00 22.23 ?  14 TYR A N    16 
ATOM   3623 C CA   . TYR A 1 14 ? -8.948  -0.204  6.541  1.00 41.03 ?  14 TYR A CA   16 
ATOM   3624 C C    . TYR A 1 14 ? -8.846  0.356   7.956  1.00 41.31 ?  14 TYR A C    16 
ATOM   3625 O O    . TYR A 1 14 ? -9.054  -0.360  8.937  1.00 14.42 ?  14 TYR A O    16 
ATOM   3626 C CB   . TYR A 1 14 ? -10.146 -1.149  6.438  1.00 50.31 ?  14 TYR A CB   16 
ATOM   3627 C CG   . TYR A 1 14 ? -10.825 -1.122  5.088  1.00 32.42 ?  14 TYR A CG   16 
ATOM   3628 C CD1  . TYR A 1 14 ? -11.030 -2.292  4.368  1.00 72.15 ?  14 TYR A CD1  16 
ATOM   3629 C CD2  . TYR A 1 14 ? -11.261 0.074   4.532  1.00 25.42 ?  14 TYR A CD2  16 
ATOM   3630 C CE1  . TYR A 1 14 ? -11.649 -2.272  3.133  1.00 24.03 ?  14 TYR A CE1  16 
ATOM   3631 C CE2  . TYR A 1 14 ? -11.883 0.104   3.299  1.00 41.21 ?  14 TYR A CE2  16 
ATOM   3632 C CZ   . TYR A 1 14 ? -12.074 -1.072  2.603  1.00 60.41 ?  14 TYR A CZ   16 
ATOM   3633 O OH   . TYR A 1 14 ? -12.693 -1.047  1.374  1.00 51.03 ?  14 TYR A OH   16 
ATOM   3634 H H    . TYR A 1 14 ? -7.764  -1.850  5.935  1.00 44.30 ?  14 TYR A H    16 
ATOM   3635 H HA   . TYR A 1 14 ? -9.087  0.615   5.851  1.00 0.44  ?  14 TYR A HA   16 
ATOM   3636 H HB2  . TYR A 1 14 ? -9.816  -2.160  6.623  1.00 42.13 ?  14 TYR A HB2  16 
ATOM   3637 H HB3  . TYR A 1 14 ? -10.878 -0.872  7.184  1.00 64.40 ?  14 TYR A HB3  16 
ATOM   3638 H HD1  . TYR A 1 14 ? -10.697 -3.231  4.786  1.00 1.23  ?  14 TYR A HD1  16 
ATOM   3639 H HD2  . TYR A 1 14 ? -11.111 0.994   5.079  1.00 52.34 ?  14 TYR A HD2  16 
ATOM   3640 H HE1  . TYR A 1 14 ? -11.799 -3.192  2.589  1.00 35.44 ?  14 TYR A HE1  16 
ATOM   3641 H HE2  . TYR A 1 14 ? -12.216 1.044   2.883  1.00 11.21 ?  14 TYR A HE2  16 
ATOM   3642 H HH   . TYR A 1 14 ? -13.424 -1.669  1.371  1.00 34.25 ?  14 TYR A HH   16 
ATOM   3643 N N    . LYS A 1 15 ? -8.526  1.641   8.055  1.00 31.30 ?  15 LYS A N    16 
ATOM   3644 C CA   . LYS A 1 15 ? -8.399  2.301   9.349  1.00 33.13 ?  15 LYS A CA   16 
ATOM   3645 C C    . LYS A 1 15 ? -9.757  2.431   10.030 1.00 75.54 ?  15 LYS A C    16 
ATOM   3646 O O    . LYS A 1 15 ? -9.856  2.377   11.257 1.00 12.22 ?  15 LYS A O    16 
ATOM   3647 C CB   . LYS A 1 15 ? -7.767  3.684   9.179  1.00 23.42 ?  15 LYS A CB   16 
ATOM   3648 C CG   . LYS A 1 15 ? -8.623  4.649   8.377  1.00 42.22 ?  15 LYS A CG   16 
ATOM   3649 C CD   . LYS A 1 15 ? -7.772  5.674   7.646  1.00 3.15  ?  15 LYS A CD   16 
ATOM   3650 C CE   . LYS A 1 15 ? -7.254  5.126   6.324  1.00 5.10  ?  15 LYS A CE   16 
ATOM   3651 N NZ   . LYS A 1 15 ? -6.966  6.214   5.348  1.00 24.11 1  15 LYS A NZ   16 
ATOM   3652 H H    . LYS A 1 15 ? -8.372  2.160   7.237  1.00 14.13 ?  15 LYS A H    16 
ATOM   3653 H HA   . LYS A 1 15 ? -7.755  1.695   9.969  1.00 62.33 ?  15 LYS A HA   16 
ATOM   3654 H HB2  . LYS A 1 15 ? -7.598  4.113   10.157 1.00 40.30 ?  15 LYS A HB2  16 
ATOM   3655 H HB3  . LYS A 1 15 ? -6.818  3.575   8.675  1.00 33.21 ?  15 LYS A HB3  16 
ATOM   3656 H HG2  . LYS A 1 15 ? -9.197  4.091   7.652  1.00 44.53 ?  15 LYS A HG2  16 
ATOM   3657 H HG3  . LYS A 1 15 ? -9.294  5.166   9.049  1.00 11.25 ?  15 LYS A HG3  16 
ATOM   3658 H HD2  . LYS A 1 15 ? -8.370  6.551   7.448  1.00 72.23 ?  15 LYS A HD2  16 
ATOM   3659 H HD3  . LYS A 1 15 ? -6.931  5.942   8.269  1.00 53.42 ?  15 LYS A HD3  16 
ATOM   3660 H HE2  . LYS A 1 15 ? -6.345  4.574   6.511  1.00 34.30 ?  15 LYS A HE2  16 
ATOM   3661 H HE3  . LYS A 1 15 ? -7.998  4.466   5.906  1.00 22.05 ?  15 LYS A HE3  16 
ATOM   3662 H HZ1  . LYS A 1 15 ? -7.428  7.096   5.649  1.00 60.33 ?  15 LYS A HZ1  16 
ATOM   3663 H HZ2  . LYS A 1 15 ? -5.941  6.375   5.284  1.00 62.45 ?  15 LYS A HZ2  16 
ATOM   3664 H HZ3  . LYS A 1 15 ? -7.325  5.953   4.407  1.00 41.22 ?  15 LYS A HZ3  16 
HETATM 3665 N N    . PCA A 1 1  ? 4.033   -0.893  1.471  1.00 11.13 ?  1  PCA A N    17 
HETATM 3666 C CA   . PCA A 1 1  ? 3.749   -0.725  0.020  1.00 24.44 ?  1  PCA A CA   17 
HETATM 3667 C CB   . PCA A 1 1  ? 4.889   0.178   -0.476 1.00 44.42 ?  1  PCA A CB   17 
HETATM 3668 C CG   . PCA A 1 1  ? 6.043   -0.114  0.492  1.00 33.24 ?  1  PCA A CG   17 
HETATM 3669 C CD   . PCA A 1 1  ? 5.362   -0.516  1.787  1.00 11.24 ?  1  PCA A CD   17 
HETATM 3670 O OE   . PCA A 1 1  ? 5.852   -0.536  2.899  1.00 22.43 ?  1  PCA A OE   17 
HETATM 3671 C C    . PCA A 1 1  ? 3.738   -2.086  -0.718 1.00 35.00 ?  1  PCA A C    17 
HETATM 3672 O O    . PCA A 1 1  ? 4.748   -2.787  -0.764 1.00 53.44 ?  1  PCA A O    17 
HETATM 3673 H HA   . PCA A 1 1  ? 2.765   -0.261  -0.083 1.00 63.24 ?  1  PCA A HA   17 
HETATM 3674 H HB2  . PCA A 1 1  ? 5.132   -0.055  -1.513 1.00 51.22 ?  1  PCA A HB2  17 
HETATM 3675 H HB3  . PCA A 1 1  ? 4.591   1.225   -0.408 1.00 62.35 ?  1  PCA A HB3  17 
HETATM 3676 H HG2  . PCA A 1 1  ? 6.650   -0.961  0.153  1.00 32.34 ?  1  PCA A HG2  17 
HETATM 3677 H HG3  . PCA A 1 1  ? 6.715   0.731   0.674  1.00 1.32  ?  1  PCA A HG3  17 
ATOM   3678 N N    . GLY A 1 2  ? 2.588   -2.437  -1.286 1.00 41.40 ?  2  GLY A N    17 
ATOM   3679 C CA   . GLY A 1 2  ? 2.467   -3.693  -2.003 1.00 31.12 ?  2  GLY A CA   17 
ATOM   3680 C C    . GLY A 1 2  ? 1.364   -4.573  -1.450 1.00 64.33 ?  2  GLY A C    17 
ATOM   3681 O O    . GLY A 1 2  ? 0.639   -5.221  -2.205 1.00 60.30 ?  2  GLY A O    17 
ATOM   3682 H H    . GLY A 1 2  ? 1.815   -1.838  -1.217 1.00 2.33  ?  2  GLY A H    17 
ATOM   3683 H HA2  . GLY A 1 2  ? 2.259   -3.484  -3.042 1.00 1.55  ?  2  GLY A HA2  17 
ATOM   3684 H HA3  . GLY A 1 2  ? 3.405   -4.225  -1.934 1.00 61.12 ?  2  GLY A HA3  17 
ATOM   3685 N N    . CYS A 1 3  ? 1.238   -4.600  -0.127 1.00 5.34  ?  3  CYS A N    17 
ATOM   3686 C CA   . CYS A 1 3  ? 0.218   -5.408  0.529  1.00 74.31 ?  3  CYS A CA   17 
ATOM   3687 C C    . CYS A 1 3  ? -1.121  -4.676  0.557  1.00 50.31 ?  3  CYS A C    17 
ATOM   3688 O O    . CYS A 1 3  ? -2.181  -5.292  0.437  1.00 54.34 ?  3  CYS A O    17 
ATOM   3689 C CB   . CYS A 1 3  ? 0.651   -5.756  1.954  1.00 62.42 ?  3  CYS A CB   17 
ATOM   3690 S SG   . CYS A 1 3  ? 0.078   -7.388  2.526  1.00 34.43 ?  3  CYS A SG   17 
ATOM   3691 H H    . CYS A 1 3  ? 1.847   -4.062  0.423  1.00 52.12 ?  3  CYS A H    17 
ATOM   3692 H HA   . CYS A 1 3  ? 0.103   -6.320  -0.038 1.00 31.55 ?  3  CYS A HA   17 
ATOM   3693 H HB2  . CYS A 1 3  ? 1.730   -5.752  2.005  1.00 65.14 ?  3  CYS A HB2  17 
ATOM   3694 H HB3  . CYS A 1 3  ? 0.260   -5.013  2.633  1.00 35.30 ?  3  CYS A HB3  17 
ATOM   3695 N N    . CYS A 1 4  ? -1.066  -3.358  0.715  1.00 4.35  ?  4  CYS A N    17 
ATOM   3696 C CA   . CYS A 1 4  ? -2.272  -2.540  0.760  1.00 71.11 ?  4  CYS A CA   17 
ATOM   3697 C C    . CYS A 1 4  ? -3.158  -2.814  -0.453 1.00 22.25 ?  4  CYS A C    17 
ATOM   3698 O O    . CYS A 1 4  ? -4.383  -2.696  -0.380 1.00 50.41 ?  4  CYS A O    17 
ATOM   3699 C CB   . CYS A 1 4  ? -1.906  -1.056  0.812  1.00 32.54 ?  4  CYS A CB   17 
ATOM   3700 S SG   . CYS A 1 4  ? -1.788  -0.379  2.500  1.00 53.23 ?  4  CYS A SG   17 
ATOM   3701 H H    . CYS A 1 4  ? -0.191  -2.923  0.805  1.00 63.22 ?  4  CYS A H    17 
ATOM   3702 H HA   . CYS A 1 4  ? -2.817  -2.800  1.655  1.00 41.04 ?  4  CYS A HA   17 
ATOM   3703 H HB2  . CYS A 1 4  ? -0.948  -0.912  0.334  1.00 64.22 ?  4  CYS A HB2  17 
ATOM   3704 H HB3  . CYS A 1 4  ? -2.656  -0.489  0.282  1.00 55.24 ?  4  CYS A HB3  17 
ATOM   3705 N N    . THR A 1 5  ? -2.533  -3.180  -1.567 1.00 33.14 ?  5  THR A N    17 
ATOM   3706 C CA   . THR A 1 5  ? -3.263  -3.469  -2.794 1.00 53.20 ?  5  THR A CA   17 
ATOM   3707 C C    . THR A 1 5  ? -4.069  -4.756  -2.664 1.00 2.14  ?  5  THR A C    17 
ATOM   3708 O O    . THR A 1 5  ? -5.128  -4.903  -3.276 1.00 45.33 ?  5  THR A O    17 
ATOM   3709 C CB   . THR A 1 5  ? -2.312  -3.593  -3.999 1.00 34.35 ?  5  THR A CB   17 
ATOM   3710 O OG1  . THR A 1 5  ? -1.450  -4.724  -3.828 1.00 72.22 ?  5  THR A OG1  17 
ATOM   3711 C CG2  . THR A 1 5  ? -1.477  -2.331  -4.160 1.00 23.04 ?  5  THR A CG2  17 
ATOM   3712 H H    . THR A 1 5  ? -1.556  -3.256  -1.561 1.00 60.31 ?  5  THR A H    17 
ATOM   3713 H HA   . THR A 1 5  ? -3.941  -2.649  -2.980 1.00 24.12 ?  5  THR A HA   17 
ATOM   3714 H HB   . THR A 1 5  ? -2.903  -3.733  -4.892 1.00 23.31 ?  5  THR A HB   17 
ATOM   3715 H HG1  . THR A 1 5  ? -1.026  -4.675  -2.967 1.00 50.44 ?  5  THR A HG1  17 
ATOM   3716 H HG21 . THR A 1 5  ? -2.087  -1.466  -3.948 1.00 45.03 ?  5  THR A HG21 17 
ATOM   3717 H HG22 . THR A 1 5  ? -0.643  -2.362  -3.474 1.00 42.20 ?  5  THR A HG22 17 
ATOM   3718 H HG23 . THR A 1 5  ? -1.108  -2.272  -5.173 1.00 23.13 ?  5  THR A HG23 17 
ATOM   3719 N N    . ASP A 1 6  ? -3.564  -5.687  -1.862 1.00 3.10  ?  6  ASP A N    17 
ATOM   3720 C CA   . ASP A 1 6  ? -4.238  -6.962  -1.650 1.00 50.31 ?  6  ASP A CA   17 
ATOM   3721 C C    . ASP A 1 6  ? -5.493  -6.779  -0.801 1.00 20.41 ?  6  ASP A C    17 
ATOM   3722 O O    . ASP A 1 6  ? -5.583  -5.874  0.029  1.00 44.31 ?  6  ASP A O    17 
ATOM   3723 C CB   . ASP A 1 6  ? -3.293  -7.958  -0.976 1.00 73.24 ?  6  ASP A CB   17 
ATOM   3724 C CG   . ASP A 1 6  ? -2.109  -8.317  -1.852 1.00 24.01 ?  6  ASP A CG   17 
ATOM   3725 O OD1  . ASP A 1 6  ? -0.983  -7.874  -1.539 1.00 3.32  ?  6  ASP A OD1  17 
ATOM   3726 O OD2  . ASP A 1 6  ? -2.307  -9.039  -2.850 1.00 15.43 -1 6  ASP A OD2  17 
ATOM   3727 H H    . ASP A 1 6  ? -2.716  -5.511  -1.401 1.00 22.03 ?  6  ASP A H    17 
ATOM   3728 H HA   . ASP A 1 6  ? -4.526  -7.350  -2.615 1.00 52.23 ?  6  ASP A HA   17 
ATOM   3729 H HB2  . ASP A 1 6  ? -2.920  -7.526  -0.058 1.00 62.22 ?  6  ASP A HB2  17 
ATOM   3730 H HB3  . ASP A 1 6  ? -3.836  -8.863  -0.747 1.00 75.25 ?  6  ASP A HB3  17 
ATOM   3731 N N    . PRO A 1 7  ? -6.485  -7.656  -1.014 1.00 4.05  ?  7  PRO A N    17 
ATOM   3732 C CA   . PRO A 1 7  ? -7.752  -7.612  -0.279 1.00 44.51 ?  7  PRO A CA   17 
ATOM   3733 C C    . PRO A 1 7  ? -7.587  -8.003  1.185  1.00 2.22  ?  7  PRO A C    17 
ATOM   3734 O O    . PRO A 1 7  ? -8.119  -7.342  2.078  1.00 33.15 ?  7  PRO A O    17 
ATOM   3735 C CB   . PRO A 1 7  ? -8.624  -8.635  -1.012 1.00 22.34 ?  7  PRO A CB   17 
ATOM   3736 C CG   . PRO A 1 7  ? -7.655  -9.580  -1.634 1.00 41.54 ?  7  PRO A CG   17 
ATOM   3737 C CD   . PRO A 1 7  ? -6.445  -8.760  -1.987 1.00 33.00 ?  7  PRO A CD   17 
ATOM   3738 H HA   . PRO A 1 7  ? -8.212  -6.636  -0.339 1.00 64.43 ?  7  PRO A HA   17 
ATOM   3739 H HB2  . PRO A 1 7  ? -9.266  -9.137  -0.302 1.00 50.11 ?  7  PRO A HB2  17 
ATOM   3740 H HB3  . PRO A 1 7  ? -9.222  -8.135  -1.757 1.00 12.35 ?  7  PRO A HB3  17 
ATOM   3741 H HG2  . PRO A 1 7  ? -7.391  -10.354 -0.929 1.00 2.22  ?  7  PRO A HG2  17 
ATOM   3742 H HG3  . PRO A 1 7  ? -8.086  -10.014 -2.524 1.00 75.12 ?  7  PRO A HG3  17 
ATOM   3743 H HD2  . PRO A 1 7  ? -5.545  -9.346  -1.871 1.00 2.45  ?  7  PRO A HD2  17 
ATOM   3744 H HD3  . PRO A 1 7  ? -6.525  -8.386  -2.998 1.00 65.12 ?  7  PRO A HD3  17 
ATOM   3745 N N    . ARG A 1 8  ? -6.849  -9.082  1.425  1.00 31.05 ?  8  ARG A N    17 
ATOM   3746 C CA   . ARG A 1 8  ? -6.615  -9.562  2.782  1.00 53.43 ?  8  ARG A CA   17 
ATOM   3747 C C    . ARG A 1 8  ? -5.881  -8.512  3.611  1.00 65.42 ?  8  ARG A C    17 
ATOM   3748 O O    . ARG A 1 8  ? -6.131  -8.364  4.808  1.00 24.44 ?  8  ARG A O    17 
ATOM   3749 C CB   . ARG A 1 8  ? -5.807  -10.861 2.754  1.00 63.11 ?  8  ARG A CB   17 
ATOM   3750 C CG   . ARG A 1 8  ? -5.131  -11.186 4.076  1.00 71.54 ?  8  ARG A CG   17 
ATOM   3751 C CD   . ARG A 1 8  ? -5.032  -12.687 4.297  1.00 24.33 ?  8  ARG A CD   17 
ATOM   3752 N NE   . ARG A 1 8  ? -4.184  -13.333 3.299  1.00 70.34 ?  8  ARG A NE   17 
ATOM   3753 C CZ   . ARG A 1 8  ? -2.860  -13.229 3.282  1.00 35.53 ?  8  ARG A CZ   17 
ATOM   3754 N NH1  . ARG A 1 8  ? -2.236  -12.509 4.205  1.00 63.04 1  8  ARG A NH1  17 
ATOM   3755 N NH2  . ARG A 1 8  ? -2.157  -13.846 2.343  1.00 10.15 ?  8  ARG A NH2  17 
ATOM   3756 H H    . ARG A 1 8  ? -6.451  -9.567  0.672  1.00 64.21 ?  8  ARG A H    17 
ATOM   3757 H HA   . ARG A 1 8  ? -7.575  -9.755  3.236  1.00 73.52 ?  8  ARG A HA   17 
ATOM   3758 H HB2  . ARG A 1 8  ? -6.468  -11.677 2.503  1.00 61.45 ?  8  ARG A HB2  17 
ATOM   3759 H HB3  . ARG A 1 8  ? -5.044  -10.780 1.994  1.00 40.11 ?  8  ARG A HB3  17 
ATOM   3760 H HG2  . ARG A 1 8  ? -4.135  -10.767 4.073  1.00 53.32 ?  8  ARG A HG2  17 
ATOM   3761 H HG3  . ARG A 1 8  ? -5.704  -10.748 4.880  1.00 30.32 ?  8  ARG A HG3  17 
ATOM   3762 H HD2  . ARG A 1 8  ? -4.619  -12.867 5.278  1.00 53.54 ?  8  ARG A HD2  17 
ATOM   3763 H HD3  . ARG A 1 8  ? -6.024  -13.110 4.243  1.00 33.33 ?  8  ARG A HD3  17 
ATOM   3764 H HE   . ARG A 1 8  ? -4.624  -13.870 2.609  1.00 23.04 ?  8  ARG A HE   17 
ATOM   3765 H HH11 . ARG A 1 8  ? -2.763  -12.043 4.915  1.00 14.24 ?  8  ARG A HH11 17 
ATOM   3766 H HH12 . ARG A 1 8  ? -1.239  -12.433 4.191  1.00 53.33 ?  8  ARG A HH12 17 
ATOM   3767 H HH21 . ARG A 1 8  ? -2.623  -14.391 1.646  1.00 72.15 ?  8  ARG A HH21 17 
ATOM   3768 H HH22 . ARG A 1 8  ? -1.160  -13.767 2.330  1.00 51.31 ?  8  ARG A HH22 17 
ATOM   3769 N N    . CYS A 1 9  ? -4.974  -7.785  2.967  1.00 23.53 ?  9  CYS A N    17 
ATOM   3770 C CA   . CYS A 1 9  ? -4.202  -6.750  3.644  1.00 21.11 ?  9  CYS A CA   17 
ATOM   3771 C C    . CYS A 1 9  ? -4.982  -5.438  3.697  1.00 22.01 ?  9  CYS A C    17 
ATOM   3772 O O    . CYS A 1 9  ? -4.864  -4.672  4.654  1.00 24.12 ?  9  CYS A O    17 
ATOM   3773 C CB   . CYS A 1 9  ? -2.865  -6.533  2.932  1.00 13.23 ?  9  CYS A CB   17 
ATOM   3774 S SG   . CYS A 1 9  ? -1.408  -6.947  3.944  1.00 54.11 ?  9  CYS A SG   17 
ATOM   3775 H H    . CYS A 1 9  ? -4.818  -7.950  2.013  1.00 40.33 ?  9  CYS A H    17 
ATOM   3776 H HA   . CYS A 1 9  ? -4.013  -7.083  4.653  1.00 20.44 ?  9  CYS A HA   17 
ATOM   3777 H HB2  . CYS A 1 9  ? -2.835  -7.148  2.045  1.00 24.41 ?  9  CYS A HB2  17 
ATOM   3778 H HB3  . CYS A 1 9  ? -2.783  -5.494  2.646  1.00 71.44 ?  9  CYS A HB3  17 
ATOM   3779 N N    . ARG A 1 10 ? -5.778  -5.187  2.664  1.00 3.34  ?  10 ARG A N    17 
ATOM   3780 C CA   . ARG A 1 10 ? -6.576  -3.969  2.592  1.00 22.50 ?  10 ARG A CA   17 
ATOM   3781 C C    . ARG A 1 10 ? -7.386  -3.775  3.870  1.00 41.43 ?  10 ARG A C    17 
ATOM   3782 O O    . ARG A 1 10 ? -7.611  -2.647  4.308  1.00 53.40 ?  10 ARG A O    17 
ATOM   3783 C CB   . ARG A 1 10 ? -7.512  -4.018  1.383  1.00 31.33 ?  10 ARG A CB   17 
ATOM   3784 C CG   . ARG A 1 10 ? -8.451  -2.826  1.292  1.00 21.23 ?  10 ARG A CG   17 
ATOM   3785 C CD   . ARG A 1 10 ? -9.136  -2.759  -0.064 1.00 41.14 ?  10 ARG A CD   17 
ATOM   3786 N NE   . ARG A 1 10 ? -9.660  -1.426  -0.347 1.00 43.11 ?  10 ARG A NE   17 
ATOM   3787 C CZ   . ARG A 1 10 ? -9.948  -0.994  -1.570 1.00 63.03 ?  10 ARG A CZ   17 
ATOM   3788 N NH1  . ARG A 1 10 ? -9.763  -1.786  -2.617 1.00 13.21 1  10 ARG A NH1  17 
ATOM   3789 N NH2  . ARG A 1 10 ? -10.421 0.233   -1.747 1.00 73.00 ?  10 ARG A NH2  17 
ATOM   3790 H H    . ARG A 1 10 ? -5.830  -5.836  1.931  1.00 4.50  ?  10 ARG A H    17 
ATOM   3791 H HA   . ARG A 1 10 ? -5.900  -3.135  2.479  1.00 22.35 ?  10 ARG A HA   17 
ATOM   3792 H HB2  . ARG A 1 10 ? -6.918  -4.049  0.482  1.00 62.12 ?  10 ARG A HB2  17 
ATOM   3793 H HB3  . ARG A 1 10 ? -8.110  -4.916  1.442  1.00 64.12 ?  10 ARG A HB3  17 
ATOM   3794 H HG2  . ARG A 1 10 ? -9.206  -2.914  2.060  1.00 70.13 ?  10 ARG A HG2  17 
ATOM   3795 H HG3  . ARG A 1 10 ? -7.883  -1.920  1.445  1.00 3.04  ?  10 ARG A HG3  17 
ATOM   3796 H HD2  . ARG A 1 10 ? -8.421  -3.024  -0.827 1.00 75.31 ?  10 ARG A HD2  17 
ATOM   3797 H HD3  . ARG A 1 10 ? -9.952  -3.466  -0.075 1.00 15.42 ?  10 ARG A HD3  17 
ATOM   3798 H HE   . ARG A 1 10 ? -9.804  -0.824  0.412  1.00 22.23 ?  10 ARG A HE   17 
ATOM   3799 H HH11 . ARG A 1 10 ? -9.407  -2.711  -2.486 1.00 73.23 ?  10 ARG A HH11 17 
ATOM   3800 H HH12 . ARG A 1 10 ? -9.981  -1.459  -3.537 1.00 55.15 ?  10 ARG A HH12 17 
ATOM   3801 H HH21 . ARG A 1 10 ? -10.561 0.833   -0.961 1.00 54.34 ?  10 ARG A HH21 17 
ATOM   3802 H HH22 . ARG A 1 10 ? -10.636 0.557   -2.668 1.00 52.33 ?  10 ARG A HH22 17 
HETATM 3803 N N    . IYR A 1 11 ? -7.824  -4.882  4.462  1.00 4.14  ?  11 IYR A N    17 
HETATM 3804 C CA   . IYR A 1 11 ? -8.612  -4.832  5.692  1.00 0.21  ?  11 IYR A CA   17 
HETATM 3805 C CB   . IYR A 1 11 ? -8.866  -6.262  6.272  1.00 41.10 ?  11 IYR A CB   17 
HETATM 3806 C CC   . IYR A 1 11 ? -10.160 -6.876  5.782  1.00 75.23 ?  11 IYR A CC   17 
HETATM 3807 C CD   . IYR A 1 11 ? -10.408 -7.010  4.412  1.00 61.33 ?  11 IYR A CD   17 
HETATM 3808 C CE   . IYR A 1 11 ? -11.592 -7.585  3.953  1.00 42.44 ?  11 IYR A CE   17 
HETATM 3809 I IE   . IYR A 1 11 ? -11.922 -7.771  1.829  1.00 44.41 ?  11 IYR A IE   17 
HETATM 3810 C CF   . IYR A 1 11 ? -12.567 -8.048  4.847  1.00 74.31 ?  11 IYR A CF   17 
HETATM 3811 O OF   . IYR A 1 11 ? -13.769 -8.626  4.497  1.00 52.10 ?  11 IYR A OF   17 
HETATM 3812 C CG   . IYR A 1 11 ? -12.311 -7.911  6.221  1.00 73.43 ?  11 IYR A CG   17 
HETATM 3813 C CH   . IYR A 1 11 ? -11.133 -7.339  6.681  1.00 10.04 ?  11 IYR A CH   17 
HETATM 3814 C C    . IYR A 1 11 ? -7.762  -4.048  6.711  1.00 25.12 ?  11 IYR A C    17 
HETATM 3815 O O    . IYR A 1 11 ? -8.249  -3.116  7.351  1.00 74.52 ?  11 IYR A O    17 
HETATM 3816 H H    . IYR A 1 11 ? -7.611  -5.752  4.065  1.00 14.32 ?  11 IYR A H    17 
HETATM 3817 H HA   . IYR A 1 11 ? -9.561  -4.337  5.477  1.00 72.33 ?  11 IYR A HA   17 
HETATM 3818 H HB2  . IYR A 1 11 ? -8.016  -6.887  5.979  1.00 11.51 ?  11 IYR A HB2  17 
HETATM 3819 H HB3  . IYR A 1 11 ? -8.870  -6.193  7.365  1.00 60.32 ?  11 IYR A HB3  17 
HETATM 3820 H HD   . IYR A 1 11 ? -9.676  -6.653  3.696  1.00 22.10 ?  11 IYR A HD   17 
HETATM 3821 H HF   . IYR A 1 11 ? -14.209 -8.119  3.761  1.00 73.54 ?  11 IYR A HF   17 
HETATM 3822 H HG   . IYR A 1 11 ? -13.071 -8.267  6.907  1.00 11.24 ?  11 IYR A HG   17 
HETATM 3823 H HH   . IYR A 1 11 ? -10.965 -7.246  7.747  1.00 13.23 ?  11 IYR A HH   17 
ATOM   3824 N N    . GLN A 1 12 ? -6.498  -4.438  6.845  1.00 64.22 ?  12 GLN A N    17 
ATOM   3825 C CA   . GLN A 1 12 ? -5.591  -3.778  7.776  1.00 44.33 ?  12 GLN A CA   17 
ATOM   3826 C C    . GLN A 1 12 ? -5.216  -2.385  7.278  1.00 33.45 ?  12 GLN A C    17 
ATOM   3827 O O    . GLN A 1 12 ? -5.110  -1.442  8.061  1.00 13.21 ?  12 GLN A O    17 
ATOM   3828 C CB   . GLN A 1 12 ? -4.328  -4.619  7.974  1.00 31.21 ?  12 GLN A CB   17 
ATOM   3829 C CG   . GLN A 1 12 ? -3.633  -4.369  9.302  1.00 72.54 ?  12 GLN A CG   17 
ATOM   3830 C CD   . GLN A 1 12 ? -2.314  -5.109  9.417  1.00 2.41  ?  12 GLN A CD   17 
ATOM   3831 O OE1  . GLN A 1 12 ? -1.481  -5.062  8.510  1.00 4.14  ?  12 GLN A OE1  17 
ATOM   3832 N NE2  . GLN A 1 12 ? -2.116  -5.795  10.536 1.00 42.44 ?  12 GLN A NE2  17 
ATOM   3833 H H    . GLN A 1 12 ? -6.169  -5.187  6.306  1.00 63.03 ?  12 GLN A H    17 
ATOM   3834 H HA   . GLN A 1 12 ? -6.100  -3.682  8.723  1.00 74.14 ?  12 GLN A HA   17 
ATOM   3835 H HB2  . GLN A 1 12 ? -4.594  -5.663  7.920  1.00 65.51 ?  12 GLN A HB2  17 
ATOM   3836 H HB3  . GLN A 1 12 ? -3.632  -4.392  7.180  1.00 55.52 ?  12 GLN A HB3  17 
ATOM   3837 H HG2  . GLN A 1 12 ? -3.444  -3.311  9.402  1.00 33.31 ?  12 GLN A HG2  17 
ATOM   3838 H HG3  . GLN A 1 12 ? -4.283  -4.696  10.100 1.00 2.55  ?  12 GLN A HG3  17 
ATOM   3839 H HE21 . GLN A 1 12 ? -2.823  -5.787  11.215 1.00 20.44 ?  12 GLN A HE21 17 
ATOM   3840 H HE22 . GLN A 1 12 ? -1.273  -6.282  10.637 1.00 41.34 ?  12 GLN A HE22 17 
ATOM   3841 N N    . CYS A 1 13 ? -5.018  -2.266  5.969  1.00 25.25 ?  13 CYS A N    17 
ATOM   3842 C CA   . CYS A 1 13 ? -4.653  -0.990  5.365  1.00 24.34 ?  13 CYS A CA   17 
ATOM   3843 C C    . CYS A 1 13 ? -5.717  0.068   5.647  1.00 61.23 ?  13 CYS A C    17 
ATOM   3844 O O    . CYS A 1 13 ? -5.403  1.247   5.822  1.00 1.13  ?  13 CYS A O    17 
ATOM   3845 C CB   . CYS A 1 13 ? -4.468  -1.151  3.854  1.00 11.44 ?  13 CYS A CB   17 
ATOM   3846 S SG   . CYS A 1 13 ? -3.605  0.241   3.058  1.00 70.22 ?  13 CYS A SG   17 
ATOM   3847 H H    . CYS A 1 13 ? -5.117  -3.054  5.395  1.00 70.11 ?  13 CYS A H    17 
ATOM   3848 H HA   . CYS A 1 13 ? -3.720  -0.670  5.801  1.00 71.43 ?  13 CYS A HA   17 
ATOM   3849 H HB2  . CYS A 1 13 ? -3.892  -2.045  3.664  1.00 64.53 ?  13 CYS A HB2  17 
ATOM   3850 H HB3  . CYS A 1 13 ? -5.438  -1.247  3.388  1.00 23.34 ?  13 CYS A HB3  17 
ATOM   3851 N N    . TYR A 1 14 ? -6.972  -0.360  5.691  1.00 22.23 ?  14 TYR A N    17 
ATOM   3852 C CA   . TYR A 1 14 ? -8.083  0.550   5.950  1.00 41.03 ?  14 TYR A CA   17 
ATOM   3853 C C    . TYR A 1 14 ? -8.888  0.096   7.164  1.00 41.31 ?  14 TYR A C    17 
ATOM   3854 O O    . TYR A 1 14 ? -9.937  -0.533  7.029  1.00 14.42 ?  14 TYR A O    17 
ATOM   3855 C CB   . TYR A 1 14 ? -8.993  0.639   4.724  1.00 50.31 ?  14 TYR A CB   17 
ATOM   3856 C CG   . TYR A 1 14 ? -8.393  1.423   3.580  1.00 32.42 ?  14 TYR A CG   17 
ATOM   3857 C CD1  . TYR A 1 14 ? -8.435  0.935   2.279  1.00 72.15 ?  14 TYR A CD1  17 
ATOM   3858 C CD2  . TYR A 1 14 ? -7.784  2.652   3.798  1.00 25.42 ?  14 TYR A CD2  17 
ATOM   3859 C CE1  . TYR A 1 14 ? -7.887  1.648   1.230  1.00 24.03 ?  14 TYR A CE1  17 
ATOM   3860 C CE2  . TYR A 1 14 ? -7.234  3.373   2.755  1.00 41.21 ?  14 TYR A CE2  17 
ATOM   3861 C CZ   . TYR A 1 14 ? -7.288  2.865   1.474  1.00 60.41 ?  14 TYR A CZ   17 
ATOM   3862 O OH   . TYR A 1 14 ? -6.741  3.580   0.431  1.00 51.03 ?  14 TYR A OH   17 
ATOM   3863 H H    . TYR A 1 14 ? -7.160  -1.311  5.544  1.00 44.30 ?  14 TYR A H    17 
ATOM   3864 H HA   . TYR A 1 14 ? -7.669  1.527   6.151  1.00 0.44  ?  14 TYR A HA   17 
ATOM   3865 H HB2  . TYR A 1 14 ? -9.205  -0.358  4.368  1.00 42.13 ?  14 TYR A HB2  17 
ATOM   3866 H HB3  . TYR A 1 14 ? -9.918  1.120   5.007  1.00 64.40 ?  14 TYR A HB3  17 
ATOM   3867 H HD1  . TYR A 1 14 ? -8.905  -0.020  2.093  1.00 1.23  ?  14 TYR A HD1  17 
ATOM   3868 H HD2  . TYR A 1 14 ? -7.743  3.047   4.802  1.00 52.34 ?  14 TYR A HD2  17 
ATOM   3869 H HE1  . TYR A 1 14 ? -7.929  1.251   0.227  1.00 35.44 ?  14 TYR A HE1  17 
ATOM   3870 H HE2  . TYR A 1 14 ? -6.765  4.327   2.944  1.00 11.21 ?  14 TYR A HE2  17 
ATOM   3871 H HH   . TYR A 1 14 ? -7.443  4.014   -0.060 1.00 34.25 ?  14 TYR A HH   17 
ATOM   3872 N N    . LYS A 1 15 ? -8.387  0.419   8.351  1.00 31.30 ?  15 LYS A N    17 
ATOM   3873 C CA   . LYS A 1 15 ? -9.058  0.048   9.591  1.00 33.13 ?  15 LYS A CA   17 
ATOM   3874 C C    . LYS A 1 15 ? -10.452 0.665   9.663  1.00 75.54 ?  15 LYS A C    17 
ATOM   3875 O O    . LYS A 1 15 ? -10.859 1.183   10.703 1.00 12.22 ?  15 LYS A O    17 
ATOM   3876 C CB   . LYS A 1 15 ? -8.229  0.494   10.797 1.00 23.42 ?  15 LYS A CB   17 
ATOM   3877 C CG   . LYS A 1 15 ? -6.767  0.090   10.714 1.00 42.22 ?  15 LYS A CG   17 
ATOM   3878 C CD   . LYS A 1 15 ? -6.614  -1.412  10.541 1.00 3.15  ?  15 LYS A CD   17 
ATOM   3879 C CE   . LYS A 1 15 ? -7.192  -2.172  11.726 1.00 5.10  ?  15 LYS A CE   17 
ATOM   3880 N NZ   . LYS A 1 15 ? -7.035  -3.644  11.571 1.00 24.11 1  15 LYS A NZ   17 
ATOM   3881 H H    . LYS A 1 15 ? -7.546  0.922   8.395  1.00 14.13 ?  15 LYS A H    17 
ATOM   3882 H HA   . LYS A 1 15 ? -9.154  -1.027  9.609  1.00 62.33 ?  15 LYS A HA   17 
ATOM   3883 H HB2  . LYS A 1 15 ? -8.280  1.570   10.876 1.00 40.30 ?  15 LYS A HB2  17 
ATOM   3884 H HB3  . LYS A 1 15 ? -8.651  0.057   11.691 1.00 33.21 ?  15 LYS A HB3  17 
ATOM   3885 H HG2  . LYS A 1 15 ? -6.313  0.586   9.869  1.00 44.53 ?  15 LYS A HG2  17 
ATOM   3886 H HG3  . LYS A 1 15 ? -6.266  0.392   11.623 1.00 11.25 ?  15 LYS A HG3  17 
ATOM   3887 H HD2  . LYS A 1 15 ? -7.130  -1.718  9.645  1.00 72.23 ?  15 LYS A HD2  17 
ATOM   3888 H HD3  . LYS A 1 15 ? -5.562  -1.650  10.452 1.00 53.42 ?  15 LYS A HD3  17 
ATOM   3889 H HE2  . LYS A 1 15 ? -6.683  -1.857  12.623 1.00 34.30 ?  15 LYS A HE2  17 
ATOM   3890 H HE3  . LYS A 1 15 ? -8.243  -1.936  11.807 1.00 22.05 ?  15 LYS A HE3  17 
ATOM   3891 H HZ1  . LYS A 1 15 ? -6.154  -3.858  11.061 1.00 60.33 ?  15 LYS A HZ1  17 
ATOM   3892 H HZ2  . LYS A 1 15 ? -7.003  -4.100  12.505 1.00 62.45 ?  15 LYS A HZ2  17 
ATOM   3893 H HZ3  . LYS A 1 15 ? -7.836  -4.035  11.034 1.00 41.22 ?  15 LYS A HZ3  17 
HETATM 3894 N N    . PCA A 1 1  ? 2.177   -0.859  -5.079 1.00 11.13 ?  1  PCA A N    18 
HETATM 3895 C CA   . PCA A 1 1  ? 2.878   -1.979  -4.393 1.00 24.44 ?  1  PCA A CA   18 
HETATM 3896 C CB   . PCA A 1 1  ? 4.354   -1.751  -4.743 1.00 44.42 ?  1  PCA A CB   18 
HETATM 3897 C CG   . PCA A 1 1  ? 4.458   -0.235  -4.960 1.00 33.24 ?  1  PCA A CG   18 
HETATM 3898 C CD   . PCA A 1 1  ? 3.076   0.177   -5.432 1.00 11.24 ?  1  PCA A CD   18 
HETATM 3899 O OE   . PCA A 1 1  ? 2.771   1.210   -5.996 1.00 22.43 ?  1  PCA A OE   18 
HETATM 3900 C C    . PCA A 1 1  ? 2.618   -1.962  -2.867 1.00 35.00 ?  1  PCA A C    18 
HETATM 3901 O O    . PCA A 1 1  ? 2.108   -0.983  -2.325 1.00 53.44 ?  1  PCA A O    18 
HETATM 3902 H HA   . PCA A 1 1  ? 2.501   -2.918  -4.804 1.00 63.24 ?  1  PCA A HA   18 
HETATM 3903 H HB2  . PCA A 1 1  ? 5.000   -2.114  -3.942 1.00 51.22 ?  1  PCA A HB2  18 
HETATM 3904 H HB3  . PCA A 1 1  ? 4.598   -2.284  -5.663 1.00 62.35 ?  1  PCA A HB3  18 
HETATM 3905 H HG2  . PCA A 1 1  ? 4.667   0.294   -4.024 1.00 32.34 ?  1  PCA A HG2  18 
HETATM 3906 H HG3  . PCA A 1 1  ? 5.208   0.073   -5.696 1.00 1.32  ?  1  PCA A HG3  18 
ATOM   3907 N N    . GLY A 1 2  ? 2.977   -3.054  -2.198 1.00 41.40 ?  2  GLY A N    18 
ATOM   3908 C CA   . GLY A 1 2  ? 2.779   -3.144  -0.764 1.00 31.12 ?  2  GLY A CA   18 
ATOM   3909 C C    . GLY A 1 2  ? 1.650   -4.084  -0.392 1.00 64.33 ?  2  GLY A C    18 
ATOM   3910 O O    . GLY A 1 2  ? 0.995   -4.654  -1.265 1.00 60.30 ?  2  GLY A O    18 
ATOM   3911 H H    . GLY A 1 2  ? 3.380   -3.805  -2.683 1.00 2.33  ?  2  GLY A H    18 
ATOM   3912 H HA2  . GLY A 1 2  ? 3.692   -3.496  -0.306 1.00 1.55  ?  2  GLY A HA2  18 
ATOM   3913 H HA3  . GLY A 1 2  ? 2.554   -2.159  -0.380 1.00 61.12 ?  2  GLY A HA3  18 
ATOM   3914 N N    . CYS A 1 3  ? 1.420   -4.247  0.907  1.00 5.34  ?  3  CYS A N    18 
ATOM   3915 C CA   . CYS A 1 3  ? 0.363   -5.125  1.392  1.00 74.31 ?  3  CYS A CA   18 
ATOM   3916 C C    . CYS A 1 3  ? -0.998  -4.442  1.301  1.00 50.31 ?  3  CYS A C    18 
ATOM   3917 O O    . CYS A 1 3  ? -1.999  -5.070  0.956  1.00 54.34 ?  3  CYS A O    18 
ATOM   3918 C CB   . CYS A 1 3  ? 0.642   -5.541  2.839  1.00 62.42 ?  3  CYS A CB   18 
ATOM   3919 S SG   . CYS A 1 3  ? 0.138   -7.247  3.232  1.00 34.43 ?  3  CYS A SG   18 
ATOM   3920 H H    . CYS A 1 3  ? 1.976   -3.764  1.555  1.00 52.12 ?  3  CYS A H    18 
ATOM   3921 H HA   . CYS A 1 3  ? 0.352   -6.007  0.770  1.00 31.55 ?  3  CYS A HA   18 
ATOM   3922 H HB2  . CYS A 1 3  ? 1.701   -5.460  3.031  1.00 65.14 ?  3  CYS A HB2  18 
ATOM   3923 H HB3  . CYS A 1 3  ? 0.108   -4.879  3.504  1.00 35.30 ?  3  CYS A HB3  18 
ATOM   3924 N N    . CYS A 1 4  ? -1.028  -3.150  1.614  1.00 4.35  ?  4  CYS A N    18 
ATOM   3925 C CA   . CYS A 1 4  ? -2.264  -2.380  1.568  1.00 71.11 ?  4  CYS A CA   18 
ATOM   3926 C C    . CYS A 1 4  ? -2.944  -2.524  0.209  1.00 22.25 ?  4  CYS A C    18 
ATOM   3927 O O    . CYS A 1 4  ? -4.167  -2.433  0.102  1.00 50.41 ?  4  CYS A O    18 
ATOM   3928 C CB   . CYS A 1 4  ? -1.981  -0.905  1.856  1.00 32.54 ?  4  CYS A CB   18 
ATOM   3929 S SG   . CYS A 1 4  ? -2.206  -0.431  3.600  1.00 53.23 ?  4  CYS A SG   18 
ATOM   3930 H H    . CYS A 1 4  ? -0.196  -2.704  1.883  1.00 63.22 ?  4  CYS A H    18 
ATOM   3931 H HA   . CYS A 1 4  ? -2.924  -2.766  2.329  1.00 41.04 ?  4  CYS A HA   18 
ATOM   3932 H HB2  . CYS A 1 4  ? -0.958  -0.682  1.585  1.00 64.22 ?  4  CYS A HB2  18 
ATOM   3933 H HB3  . CYS A 1 4  ? -2.645  -0.295  1.260  1.00 55.24 ?  4  CYS A HB3  18 
ATOM   3934 N N    . THR A 1 5  ? -2.142  -2.748  -0.827 1.00 33.14 ?  5  THR A N    18 
ATOM   3935 C CA   . THR A 1 5  ? -2.665  -2.904  -2.179 1.00 53.20 ?  5  THR A CA   18 
ATOM   3936 C C    . THR A 1 5  ? -3.445  -4.206  -2.320 1.00 2.14  ?  5  THR A C    18 
ATOM   3937 O O    . THR A 1 5  ? -4.389  -4.292  -3.106 1.00 45.33 ?  5  THR A O    18 
ATOM   3938 C CB   . THR A 1 5  ? -1.534  -2.880  -3.225 1.00 34.35 ?  5  THR A CB   18 
ATOM   3939 O OG1  . THR A 1 5  ? -0.809  -1.648  -3.134 1.00 72.22 ?  5  THR A OG1  18 
ATOM   3940 C CG2  . THR A 1 5  ? -2.093  -3.044  -4.629 1.00 23.04 ?  5  THR A CG2  18 
ATOM   3941 H H    . THR A 1 5  ? -1.175  -2.811  -0.677 1.00 60.31 ?  5  THR A H    18 
ATOM   3942 H HA   . THR A 1 5  ? -3.328  -2.074  -2.377 1.00 24.12 ?  5  THR A HA   18 
ATOM   3943 H HB   . THR A 1 5  ? -0.861  -3.701  -3.023 1.00 23.31 ?  5  THR A HB   18 
ATOM   3944 H HG1  . THR A 1 5  ? -1.192  -1.007  -3.737 1.00 50.44 ?  5  THR A HG1  18 
ATOM   3945 H HG21 . THR A 1 5  ? -1.280  -3.089  -5.338 1.00 45.03 ?  5  THR A HG21 18 
ATOM   3946 H HG22 . THR A 1 5  ? -2.668  -3.956  -4.685 1.00 42.20 ?  5  THR A HG22 18 
ATOM   3947 H HG23 . THR A 1 5  ? -2.730  -2.203  -4.864 1.00 23.13 ?  5  THR A HG23 18 
ATOM   3948 N N    . ASP A 1 6  ? -3.047  -5.215  -1.555 1.00 3.10  ?  6  ASP A N    18 
ATOM   3949 C CA   . ASP A 1 6  ? -3.711  -6.513  -1.594 1.00 50.31 ?  6  ASP A CA   18 
ATOM   3950 C C    . ASP A 1 6  ? -5.036  -6.468  -0.841 1.00 20.41 ?  6  ASP A C    18 
ATOM   3951 O O    . ASP A 1 6  ? -5.225  -5.682  0.088  1.00 44.31 ?  6  ASP A O    18 
ATOM   3952 C CB   . ASP A 1 6  ? -2.806  -7.591  -0.993 1.00 73.24 ?  6  ASP A CB   18 
ATOM   3953 C CG   . ASP A 1 6  ? -2.391  -8.632  -2.013 1.00 24.01 ?  6  ASP A CG   18 
ATOM   3954 O OD1  . ASP A 1 6  ? -1.903  -8.243  -3.095 1.00 3.32  ?  6  ASP A OD1  18 
ATOM   3955 O OD2  . ASP A 1 6  ? -2.555  -9.838  -1.730 1.00 15.43 -1 6  ASP A OD2  18 
ATOM   3956 H H    . ASP A 1 6  ? -2.287  -5.084  -0.948 1.00 22.03 ?  6  ASP A H    18 
ATOM   3957 H HA   . ASP A 1 6  ? -3.905  -6.754  -2.627 1.00 52.23 ?  6  ASP A HA   18 
ATOM   3958 H HB2  . ASP A 1 6  ? -1.914  -7.125  -0.599 1.00 62.22 ?  6  ASP A HB2  18 
ATOM   3959 H HB3  . ASP A 1 6  ? -3.333  -8.087  -0.191 1.00 75.25 ?  6  ASP A HB3  18 
ATOM   3960 N N    . PRO A 1 7  ? -5.979  -7.329  -1.252 1.00 4.05  ?  7  PRO A N    18 
ATOM   3961 C CA   . PRO A 1 7  ? -7.306  -7.406  -0.630 1.00 44.51 ?  7  PRO A CA   18 
ATOM   3962 C C    . PRO A 1 7  ? -7.252  -7.984  0.779  1.00 2.22  ?  7  PRO A C    18 
ATOM   3963 O O    . PRO A 1 7  ? -7.879  -7.459  1.700  1.00 33.15 ?  7  PRO A O    18 
ATOM   3964 C CB   . PRO A 1 7  ? -8.080  -8.341  -1.563 1.00 22.34 ?  7  PRO A CB   18 
ATOM   3965 C CG   . PRO A 1 7  ? -7.034  -9.177  -2.215 1.00 41.54 ?  7  PRO A CG   18 
ATOM   3966 C CD   . PRO A 1 7  ? -5.824  -8.294  -2.352 1.00 33.00 ?  7  PRO A CD   18 
ATOM   3967 H HA   . PRO A 1 7  ? -7.788  -6.440  -0.605 1.00 64.43 ?  7  PRO A HA   18 
ATOM   3968 H HB2  . PRO A 1 7  ? -8.765  -8.945  -0.983 1.00 50.11 ?  7  PRO A HB2  18 
ATOM   3969 H HB3  . PRO A 1 7  ? -8.629  -7.758  -2.287 1.00 12.35 ?  7  PRO A HB3  18 
ATOM   3970 H HG2  . PRO A 1 7  ? -6.807  -10.030 -1.596 1.00 2.22  ?  7  PRO A HG2  18 
ATOM   3971 H HG3  . PRO A 1 7  ? -7.375  -9.498  -3.188 1.00 75.12 ?  7  PRO A HG3  18 
ATOM   3972 H HD2  . PRO A 1 7  ? -4.920  -8.872  -2.235 1.00 2.45  ?  7  PRO A HD2  18 
ATOM   3973 H HD3  . PRO A 1 7  ? -5.831  -7.791  -3.309 1.00 65.12 ?  7  PRO A HD3  18 
ATOM   3974 N N    . ARG A 1 8  ? -6.499  -9.067  0.943  1.00 31.05 ?  8  ARG A N    18 
ATOM   3975 C CA   . ARG A 1 8  ? -6.365  -9.716  2.240  1.00 53.43 ?  8  ARG A CA   18 
ATOM   3976 C C    . ARG A 1 8  ? -5.809  -8.746  3.279  1.00 65.42 ?  8  ARG A C    18 
ATOM   3977 O O    . ARG A 1 8  ? -6.191  -8.786  4.449  1.00 24.44 ?  8  ARG A O    18 
ATOM   3978 C CB   . ARG A 1 8  ? -5.453  -10.940 2.131  1.00 63.11 ?  8  ARG A CB   18 
ATOM   3979 C CG   . ARG A 1 8  ? -6.133  -12.152 1.516  1.00 71.54 ?  8  ARG A CG   18 
ATOM   3980 C CD   . ARG A 1 8  ? -5.321  -13.418 1.739  1.00 24.33 ?  8  ARG A CD   18 
ATOM   3981 N NE   . ARG A 1 8  ? -4.177  -13.502 0.834  1.00 70.34 ?  8  ARG A NE   18 
ATOM   3982 C CZ   . ARG A 1 8  ? -4.285  -13.757 -0.465 1.00 35.53 ?  8  ARG A CZ   18 
ATOM   3983 N NH1  . ARG A 1 8  ? -5.477  -13.954 -1.008 1.00 63.04 1  8  ARG A NH1  18 
ATOM   3984 N NH2  . ARG A 1 8  ? -3.197  -13.817 -1.223 1.00 10.15 ?  8  ARG A NH2  18 
ATOM   3985 H H    . ARG A 1 8  ? -6.023  -9.439  0.171  1.00 64.21 ?  8  ARG A H    18 
ATOM   3986 H HA   . ARG A 1 8  ? -7.347  -10.037 2.554  1.00 73.52 ?  8  ARG A HA   18 
ATOM   3987 H HB2  . ARG A 1 8  ? -4.599  -10.684 1.521  1.00 61.45 ?  8  ARG A HB2  18 
ATOM   3988 H HB3  . ARG A 1 8  ? -5.112  -11.208 3.120  1.00 40.11 ?  8  ARG A HB3  18 
ATOM   3989 H HG2  . ARG A 1 8  ? -7.105  -12.277 1.969  1.00 53.32 ?  8  ARG A HG2  18 
ATOM   3990 H HG3  . ARG A 1 8  ? -6.246  -11.989 0.454  1.00 30.32 ?  8  ARG A HG3  18 
ATOM   3991 H HD2  . ARG A 1 8  ? -4.963  -13.426 2.758  1.00 53.54 ?  8  ARG A HD2  18 
ATOM   3992 H HD3  . ARG A 1 8  ? -5.960  -14.273 1.576  1.00 33.33 ?  8  ARG A HD3  18 
ATOM   3993 H HE   . ARG A 1 8  ? -3.286  -13.360 1.215  1.00 23.04 ?  8  ARG A HE   18 
ATOM   3994 H HH11 . ARG A 1 8  ? -6.299  -13.908 -0.440 1.00 14.24 ?  8  ARG A HH11 18 
ATOM   3995 H HH12 . ARG A 1 8  ? -5.556  -14.145 -1.987 1.00 53.33 ?  8  ARG A HH12 18 
ATOM   3996 H HH21 . ARG A 1 8  ? -2.296  -13.670 -0.816 1.00 72.15 ?  8  ARG A HH21 18 
ATOM   3997 H HH22 . ARG A 1 8  ? -3.279  -14.011 -2.199 1.00 51.31 ?  8  ARG A HH22 18 
ATOM   3998 N N    . CYS A 1 9  ? -4.906  -7.874  2.844  1.00 23.53 ?  9  CYS A N    18 
ATOM   3999 C CA   . CYS A 1 9  ? -4.297  -6.893  3.733  1.00 21.11 ?  9  CYS A CA   18 
ATOM   4000 C C    . CYS A 1 9  ? -5.142  -5.625  3.806  1.00 22.01 ?  9  CYS A C    18 
ATOM   4001 O O    . CYS A 1 9  ? -5.154  -4.932  4.823  1.00 24.12 ?  9  CYS A O    18 
ATOM   4002 C CB   . CYS A 1 9  ? -2.883  -6.551  3.257  1.00 13.23 ?  9  CYS A CB   18 
ATOM   4003 S SG   . CYS A 1 9  ? -1.571  -7.016  4.432  1.00 54.11 ?  9  CYS A SG   18 
ATOM   4004 H H    . CYS A 1 9  ? -4.643  -7.890  1.899  1.00 40.33 ?  9  CYS A H    18 
ATOM   4005 H HA   . CYS A 1 9  ? -4.240  -7.330  4.718  1.00 20.44 ?  9  CYS A HA   18 
ATOM   4006 H HB2  . CYS A 1 9  ? -2.690  -7.066  2.329  1.00 24.41 ?  9  CYS A HB2  18 
ATOM   4007 H HB3  . CYS A 1 9  ? -2.816  -5.486  3.094  1.00 71.44 ?  9  CYS A HB3  18 
ATOM   4008 N N    . ARG A 1 10 ? -5.848  -5.328  2.720  1.00 3.34  ?  10 ARG A N    18 
ATOM   4009 C CA   . ARG A 1 10 ? -6.695  -4.143  2.660  1.00 22.50 ?  10 ARG A CA   18 
ATOM   4010 C C    . ARG A 1 10 ? -7.616  -4.071  3.876  1.00 41.43 ?  10 ARG A C    18 
ATOM   4011 O O    . ARG A 1 10 ? -7.967  -2.986  4.336  1.00 53.40 ?  10 ARG A O    18 
ATOM   4012 C CB   . ARG A 1 10 ? -7.528  -4.150  1.377  1.00 31.33 ?  10 ARG A CB   18 
ATOM   4013 C CG   . ARG A 1 10 ? -8.555  -3.032  1.310  1.00 21.23 ?  10 ARG A CG   18 
ATOM   4014 C CD   . ARG A 1 10 ? -9.069  -2.830  -0.107 1.00 41.14 ?  10 ARG A CD   18 
ATOM   4015 N NE   . ARG A 1 10 ? -9.927  -3.929  -0.538 1.00 43.11 ?  10 ARG A NE   18 
ATOM   4016 C CZ   . ARG A 1 10 ? -11.184 -4.083  -0.136 1.00 63.03 ?  10 ARG A CZ   18 
ATOM   4017 N NH1  . ARG A 1 10 ? -11.726 -3.212  0.704  1.00 13.21 1  10 ARG A NH1  18 
ATOM   4018 N NH2  . ARG A 1 10 ? -11.901 -5.110  -0.573 1.00 73.00 ?  10 ARG A NH2  18 
ATOM   4019 H H    . ARG A 1 10 ? -5.798  -5.919  1.940  1.00 4.50  ?  10 ARG A H    18 
ATOM   4020 H HA   . ARG A 1 10 ? -6.054  -3.275  2.658  1.00 22.35 ?  10 ARG A HA   18 
ATOM   4021 H HB2  . ARG A 1 10 ? -6.864  -4.049  0.530  1.00 62.12 ?  10 ARG A HB2  18 
ATOM   4022 H HB3  . ARG A 1 10 ? -8.049  -5.092  1.305  1.00 64.12 ?  10 ARG A HB3  18 
ATOM   4023 H HG2  . ARG A 1 10 ? -9.387  -3.281  1.952  1.00 70.13 ?  10 ARG A HG2  18 
ATOM   4024 H HG3  . ARG A 1 10 ? -8.097  -2.115  1.652  1.00 3.04  ?  10 ARG A HG3  18 
ATOM   4025 H HD2  . ARG A 1 10 ? -9.633  -1.910  -0.143 1.00 75.31 ?  10 ARG A HD2  18 
ATOM   4026 H HD3  . ARG A 1 10 ? -8.224  -2.760  -0.775 1.00 15.42 ?  10 ARG A HD3  18 
ATOM   4027 H HE   . ARG A 1 10 ? -9.547  -4.585  -1.158 1.00 22.23 ?  10 ARG A HE   18 
ATOM   4028 H HH11 . ARG A 1 10 ? -11.188 -2.436  1.035  1.00 73.23 ?  10 ARG A HH11 18 
ATOM   4029 H HH12 . ARG A 1 10 ? -12.673 -3.329  1.004  1.00 55.15 ?  10 ARG A HH12 18 
ATOM   4030 H HH21 . ARG A 1 10 ? -11.496 -5.769  -1.207 1.00 54.34 ?  10 ARG A HH21 18 
ATOM   4031 H HH22 . ARG A 1 10 ? -12.846 -5.225  -0.270 1.00 52.33 ?  10 ARG A HH22 18 
HETATM 4032 N N    . IYR A 1 11 ? -8.002  -5.235  4.388  1.00 4.14  ?  11 IYR A N    18 
HETATM 4033 C CA   . IYR A 1 11 ? -8.884  -5.303  5.552  1.00 0.21  ?  11 IYR A CA   18 
HETATM 4034 C CB   . IYR A 1 11 ? -9.095  -6.777  6.031  1.00 41.10 ?  11 IYR A CB   18 
HETATM 4035 C CC   . IYR A 1 11 ? -10.258 -7.460  5.343  1.00 75.23 ?  11 IYR A CC   18 
HETATM 4036 C CD   . IYR A 1 11 ? -10.296 -7.565  3.948  1.00 61.33 ?  11 IYR A CD   18 
HETATM 4037 C CE   . IYR A 1 11 ? -11.357 -8.203  3.309  1.00 42.44 ?  11 IYR A CE   18 
HETATM 4038 I IE   . IYR A 1 11 ? -11.365 -8.340  1.156  1.00 44.41 ?  11 IYR A IE   18 
HETATM 4039 C CF   . IYR A 1 11 ? -12.415 -8.761  4.041  1.00 74.31 ?  11 IYR A CF   18 
HETATM 4040 O OF   . IYR A 1 11 ? -13.509 -9.406  3.506  1.00 52.10 ?  11 IYR A OF   18 
HETATM 4041 C CG   . IYR A 1 11 ? -12.370 -8.653  5.440  1.00 73.43 ?  11 IYR A CG   18 
HETATM 4042 C CH   . IYR A 1 11 ? -11.315 -8.018  6.079  1.00 10.04 ?  11 IYR A CH   18 
HETATM 4043 C C    . IYR A 1 11 ? -8.165  -4.534  6.678  1.00 25.12 ?  11 IYR A C    18 
HETATM 4044 O O    . IYR A 1 11 ? -8.563  -3.427  7.037  1.00 74.52 ?  11 IYR A O    18 
HETATM 4045 H H    . IYR A 1 11 ? -7.688  -6.067  3.977  1.00 14.32 ?  11 IYR A H    18 
HETATM 4046 H HA   . IYR A 1 11 ? -9.843  -4.850  5.289  1.00 72.33 ?  11 IYR A HA   18 
HETATM 4047 H HB2  . IYR A 1 11 ? -8.165  -7.320  5.829  1.00 11.51 ?  11 IYR A HB2  18 
HETATM 4048 H HB3  . IYR A 1 11 ? -9.249  -6.766  7.115  1.00 60.32 ?  11 IYR A HB3  18 
HETATM 4049 H HD   . IYR A 1 11 ? -9.497  -7.136  3.355  1.00 22.10 ?  11 IYR A HD   18 
HETATM 4050 H HF   . IYR A 1 11 ? -13.285 -10.342 3.251  1.00 73.54 ?  11 IYR A HF   18 
HETATM 4051 H HG   . IYR A 1 11 ? -13.192 -9.081  6.000  1.00 11.24 ?  11 IYR A HG   18 
HETATM 4052 H HH   . IYR A 1 11 ? -11.308 -7.949  7.162  1.00 13.23 ?  11 IYR A HH   18 
ATOM   4053 N N    . GLN A 1 12 ? -7.111  -5.135  7.219  1.00 64.22 ?  12 GLN A N    18 
ATOM   4054 C CA   . GLN A 1 12 ? -6.344  -4.513  8.292  1.00 44.33 ?  12 GLN A CA   18 
ATOM   4055 C C    . GLN A 1 12 ? -5.912  -3.103  7.904  1.00 33.45 ?  12 GLN A C    18 
ATOM   4056 O O    . GLN A 1 12 ? -5.849  -2.208  8.747  1.00 13.21 ?  12 GLN A O    18 
ATOM   4057 C CB   . GLN A 1 12 ? -5.117  -5.362  8.628  1.00 31.21 ?  12 GLN A CB   18 
ATOM   4058 C CG   . GLN A 1 12 ? -4.189  -5.585  7.445  1.00 72.54 ?  12 GLN A CG   18 
ATOM   4059 C CD   . GLN A 1 12 ? -2.915  -6.312  7.832  1.00 2.41  ?  12 GLN A CD   18 
ATOM   4060 O OE1  . GLN A 1 12 ? -1.924  -5.690  8.216  1.00 4.14  ?  12 GLN A OE1  18 
ATOM   4061 N NE2  . GLN A 1 12 ? -2.935  -7.636  7.731  1.00 42.44 ?  12 GLN A NE2  18 
ATOM   4062 H H    . GLN A 1 12 ? -6.842  -6.019  6.889  1.00 63.03 ?  12 GLN A H    18 
ATOM   4063 H HA   . GLN A 1 12 ? -6.980  -4.455  9.162  1.00 74.14 ?  12 GLN A HA   18 
ATOM   4064 H HB2  . GLN A 1 12 ? -4.557  -4.870  9.410  1.00 65.51 ?  12 GLN A HB2  18 
ATOM   4065 H HB3  . GLN A 1 12 ? -5.448  -6.326  8.985  1.00 55.52 ?  12 GLN A HB3  18 
ATOM   4066 H HG2  . GLN A 1 12 ? -4.708  -6.172  6.702  1.00 33.31 ?  12 GLN A HG2  18 
ATOM   4067 H HG3  . GLN A 1 12 ? -3.925  -4.626  7.024  1.00 2.55  ?  12 GLN A HG3  18 
ATOM   4068 H HE21 . GLN A 1 12 ? -3.760  -8.063  7.417  1.00 20.44 ?  12 GLN A HE21 18 
ATOM   4069 H HE22 . GLN A 1 12 ? -2.126  -8.130  7.973  1.00 41.34 ?  12 GLN A HE22 18 
ATOM   4070 N N    . CYS A 1 13 ? -5.612  -2.912  6.624  1.00 25.25 ?  13 CYS A N    18 
ATOM   4071 C CA   . CYS A 1 13 ? -5.184  -1.611  6.124  1.00 24.34 ?  13 CYS A CA   18 
ATOM   4072 C C    . CYS A 1 13 ? -6.268  -0.560  6.345  1.00 61.23 ?  13 CYS A C    18 
ATOM   4073 O O    . CYS A 1 13 ? -5.973  0.605   6.612  1.00 1.13  ?  13 CYS A O    18 
ATOM   4074 C CB   . CYS A 1 13 ? -4.841  -1.701  4.636  1.00 11.44 ?  13 CYS A CB   18 
ATOM   4075 S SG   . CYS A 1 13 ? -4.157  -0.164  3.936  1.00 70.22 ?  13 CYS A SG   18 
ATOM   4076 H H    . CYS A 1 13 ? -5.681  -3.665  5.998  1.00 70.11 ?  13 CYS A H    18 
ATOM   4077 H HA   . CYS A 1 13 ? -4.300  -1.320  6.671  1.00 71.43 ?  13 CYS A HA   18 
ATOM   4078 H HB2  . CYS A 1 13 ? -4.109  -2.481  4.490  1.00 64.53 ?  13 CYS A HB2  18 
ATOM   4079 H HB3  . CYS A 1 13 ? -5.735  -1.945  4.082  1.00 23.34 ?  13 CYS A HB3  18 
ATOM   4080 N N    . TYR A 1 14 ? -7.523  -0.980  6.233  1.00 22.23 ?  14 TYR A N    18 
ATOM   4081 C CA   . TYR A 1 14 ? -8.651  -0.076  6.418  1.00 41.03 ?  14 TYR A CA   18 
ATOM   4082 C C    . TYR A 1 14 ? -8.761  0.368   7.873  1.00 41.31 ?  14 TYR A C    18 
ATOM   4083 O O    . TYR A 1 14 ? -9.419  -0.283  8.686  1.00 14.42 ?  14 TYR A O    18 
ATOM   4084 C CB   . TYR A 1 14 ? -9.951  -0.752  5.980  1.00 50.31 ?  14 TYR A CB   18 
ATOM   4085 C CG   . TYR A 1 14 ? -11.013 0.220   5.516  1.00 32.42 ?  14 TYR A CG   18 
ATOM   4086 C CD1  . TYR A 1 14 ? -11.008 0.717   4.219  1.00 72.15 ?  14 TYR A CD1  18 
ATOM   4087 C CD2  . TYR A 1 14 ? -12.020 0.642   6.375  1.00 25.42 ?  14 TYR A CD2  18 
ATOM   4088 C CE1  . TYR A 1 14 ? -11.975 1.606   3.791  1.00 24.03 ?  14 TYR A CE1  18 
ATOM   4089 C CE2  . TYR A 1 14 ? -12.992 1.528   5.956  1.00 41.21 ?  14 TYR A CE2  18 
ATOM   4090 C CZ   . TYR A 1 14 ? -12.966 2.009   4.663  1.00 60.41 ?  14 TYR A CZ   18 
ATOM   4091 O OH   . TYR A 1 14 ? -13.931 2.893   4.241  1.00 51.03 ?  14 TYR A OH   18 
ATOM   4092 H H    . TYR A 1 14 ? -7.695  -1.921  6.019  1.00 44.30 ?  14 TYR A H    18 
ATOM   4093 H HA   . TYR A 1 14 ? -8.483  0.794   5.801  1.00 0.44  ?  14 TYR A HA   18 
ATOM   4094 H HB2  . TYR A 1 14 ? -9.742  -1.426  5.164  1.00 42.13 ?  14 TYR A HB2  18 
ATOM   4095 H HB3  . TYR A 1 14 ? -10.355 -1.313  6.810  1.00 64.40 ?  14 TYR A HB3  18 
ATOM   4096 H HD1  . TYR A 1 14 ? -10.231 0.401   3.538  1.00 1.23  ?  14 TYR A HD1  18 
ATOM   4097 H HD2  . TYR A 1 14 ? -12.038 0.264   7.388  1.00 52.34 ?  14 TYR A HD2  18 
ATOM   4098 H HE1  . TYR A 1 14 ? -11.955 1.981   2.778  1.00 35.44 ?  14 TYR A HE1  18 
ATOM   4099 H HE2  . TYR A 1 14 ? -13.768 1.844   6.638  1.00 11.21 ?  14 TYR A HE2  18 
ATOM   4100 H HH   . TYR A 1 14 ? -13.948 2.916   3.282  1.00 34.25 ?  14 TYR A HH   18 
ATOM   4101 N N    . LYS A 1 15 ? -8.112  1.481   8.197  1.00 31.30 ?  15 LYS A N    18 
ATOM   4102 C CA   . LYS A 1 15 ? -8.137  2.015   9.553  1.00 33.13 ?  15 LYS A CA   18 
ATOM   4103 C C    . LYS A 1 15 ? -9.569  2.147   10.061 1.00 75.54 ?  15 LYS A C    18 
ATOM   4104 O O    . LYS A 1 15 ? -9.805  2.239   11.266 1.00 12.22 ?  15 LYS A O    18 
ATOM   4105 C CB   . LYS A 1 15 ? -7.441  3.377   9.600  1.00 23.42 ?  15 LYS A CB   18 
ATOM   4106 C CG   . LYS A 1 15 ? -8.364  4.543   9.286  1.00 42.22 ?  15 LYS A CG   18 
ATOM   4107 C CD   . LYS A 1 15 ? -9.009  4.392   7.919  1.00 3.15  ?  15 LYS A CD   18 
ATOM   4108 C CE   . LYS A 1 15 ? -7.978  4.480   6.803  1.00 5.10  ?  15 LYS A CE   18 
ATOM   4109 N NZ   . LYS A 1 15 ? -8.568  4.155   5.476  1.00 24.11 1  15 LYS A NZ   18 
ATOM   4110 H H    . LYS A 1 15 ? -7.605  1.956   7.505  1.00 14.13 ?  15 LYS A H    18 
ATOM   4111 H HA   . LYS A 1 15 ? -7.603  1.326   10.191 1.00 62.33 ?  15 LYS A HA   18 
ATOM   4112 H HB2  . LYS A 1 15 ? -7.030  3.525   10.587 1.00 40.30 ?  15 LYS A HB2  18 
ATOM   4113 H HB3  . LYS A 1 15 ? -6.634  3.381   8.880  1.00 33.21 ?  15 LYS A HB3  18 
ATOM   4114 H HG2  . LYS A 1 15 ? -9.139  4.587   10.035 1.00 44.53 ?  15 LYS A HG2  18 
ATOM   4115 H HG3  . LYS A 1 15 ? -7.790  5.459   9.304  1.00 11.25 ?  15 LYS A HG3  18 
ATOM   4116 H HD2  . LYS A 1 15 ? -9.498  3.431   7.865  1.00 72.23 ?  15 LYS A HD2  18 
ATOM   4117 H HD3  . LYS A 1 15 ? -9.738  5.178   7.786  1.00 53.42 ?  15 LYS A HD3  18 
ATOM   4118 H HE2  . LYS A 1 15 ? -7.582  5.483   6.775  1.00 34.30 ?  15 LYS A HE2  18 
ATOM   4119 H HE3  . LYS A 1 15 ? -7.180  3.784   7.013  1.00 22.05 ?  15 LYS A HE3  18 
ATOM   4120 H HZ1  . LYS A 1 15 ? -9.547  4.502   5.426  1.00 60.33 ?  15 LYS A HZ1  18 
ATOM   4121 H HZ2  . LYS A 1 15 ? -8.013  4.602   4.718  1.00 62.45 ?  15 LYS A HZ2  18 
ATOM   4122 H HZ3  . LYS A 1 15 ? -8.569  3.125   5.328  1.00 41.22 ?  15 LYS A HZ3  18 
HETATM 4123 N N    . PCA A 1 1  ? 2.623   -2.814  -5.036 1.00 11.13 ?  1  PCA A N    19 
HETATM 4124 C CA   . PCA A 1 1  ? 3.722   -3.627  -4.449 1.00 24.44 ?  1  PCA A CA   19 
HETATM 4125 C CB   . PCA A 1 1  ? 4.971   -2.799  -4.801 1.00 44.42 ?  1  PCA A CB   19 
HETATM 4126 C CG   . PCA A 1 1  ? 4.470   -1.350  -4.814 1.00 33.24 ?  1  PCA A CG   19 
HETATM 4127 C CD   . PCA A 1 1  ? 3.002   -1.456  -5.183 1.00 11.24 ?  1  PCA A CD   19 
HETATM 4128 O OE   . PCA A 1 1  ? 2.264   -0.555  -5.529 1.00 22.43 ?  1  PCA A OE   19 
HETATM 4129 C C    . PCA A 1 1  ? 3.538   -3.809  -2.921 1.00 35.00 ?  1  PCA A C    19 
HETATM 4130 O O    . PCA A 1 1  ? 3.906   -4.841  -2.361 1.00 53.44 ?  1  PCA A O    19 
HETATM 4131 H HA   . PCA A 1 1  ? 3.711   -4.609  -4.923 1.00 63.24 ?  1  PCA A HA   19 
HETATM 4132 H HB2  . PCA A 1 1  ? 5.761   -2.972  -4.069 1.00 51.22 ?  1  PCA A HB2  19 
HETATM 4133 H HB3  . PCA A 1 1  ? 5.335   -3.085  -5.788 1.00 62.35 ?  1  PCA A HB3  19 
HETATM 4134 H HG2  . PCA A 1 1  ? 4.535   -0.889  -3.822 1.00 32.34 ?  1  PCA A HG2  19 
HETATM 4135 H HG3  . PCA A 1 1  ? 4.983   -0.692  -5.524 1.00 1.32  ?  1  PCA A HG3  19 
ATOM   4136 N N    . GLY A 1 2  ? 2.969   -2.798  -2.273 1.00 41.40 ?  2  GLY A N    19 
ATOM   4137 C CA   . GLY A 1 2  ? 2.750   -2.865  -0.840 1.00 31.12 ?  2  GLY A CA   19 
ATOM   4138 C C    . GLY A 1 2  ? 1.527   -3.685  -0.479 1.00 64.33 ?  2  GLY A C    19 
ATOM   4139 O O    . GLY A 1 2  ? 0.554   -3.727  -1.232 1.00 60.30 ?  2  GLY A O    19 
ATOM   4140 H H    . GLY A 1 2  ? 2.696   -1.999  -2.772 1.00 2.33  ?  2  GLY A H    19 
ATOM   4141 H HA2  . GLY A 1 2  ? 3.618   -3.307  -0.374 1.00 1.55  ?  2  GLY A HA2  19 
ATOM   4142 H HA3  . GLY A 1 2  ? 2.620   -1.861  -0.460 1.00 61.12 ?  2  GLY A HA3  19 
ATOM   4143 N N    . CYS A 1 3  ? 1.577   -4.341  0.676  1.00 5.34  ?  3  CYS A N    19 
ATOM   4144 C CA   . CYS A 1 3  ? 0.467   -5.167  1.136  1.00 74.31 ?  3  CYS A CA   19 
ATOM   4145 C C    . CYS A 1 3  ? -0.837  -4.373  1.136  1.00 50.31 ?  3  CYS A C    19 
ATOM   4146 O O    . CYS A 1 3  ? -1.902  -4.908  0.824  1.00 54.34 ?  3  CYS A O    19 
ATOM   4147 C CB   . CYS A 1 3  ? 0.751   -5.703  2.540  1.00 62.42 ?  3  CYS A CB   19 
ATOM   4148 S SG   . CYS A 1 3  ? 0.053   -7.356  2.859  1.00 34.43 ?  3  CYS A SG   19 
ATOM   4149 H H    . CYS A 1 3  ? 2.381   -4.268  1.233  1.00 52.12 ?  3  CYS A H    19 
ATOM   4150 H HA   . CYS A 1 3  ? 0.368   -5.998  0.455  1.00 31.55 ?  3  CYS A HA   19 
ATOM   4151 H HB2  . CYS A 1 3  ? 1.820   -5.766  2.684  1.00 65.14 ?  3  CYS A HB2  19 
ATOM   4152 H HB3  . CYS A 1 3  ? 0.334   -5.023  3.268  1.00 35.30 ?  3  CYS A HB3  19 
ATOM   4153 N N    . CYS A 1 4  ? -0.746  -3.096  1.488  1.00 4.35  ?  4  CYS A N    19 
ATOM   4154 C CA   . CYS A 1 4  ? -1.916  -2.227  1.530  1.00 71.11 ?  4  CYS A CA   19 
ATOM   4155 C C    . CYS A 1 4  ? -2.664  -2.261  0.200  1.00 22.25 ?  4  CYS A C    19 
ATOM   4156 O O    . CYS A 1 4  ? -3.878  -2.055  0.152  1.00 50.41 ?  4  CYS A O    19 
ATOM   4157 C CB   . CYS A 1 4  ? -1.501  -0.792  1.859  1.00 32.54 ?  4  CYS A CB   19 
ATOM   4158 S SG   . CYS A 1 4  ? -2.663  0.085   2.954  1.00 53.23 ?  4  CYS A SG   19 
ATOM   4159 H H    . CYS A 1 4  ? 0.132   -2.726  1.725  1.00 63.22 ?  4  CYS A H    19 
ATOM   4160 H HA   . CYS A 1 4  ? -2.571  -2.591  2.306  1.00 41.04 ?  4  CYS A HA   19 
ATOM   4161 H HB2  . CYS A 1 4  ? -0.538  -0.807  2.348  1.00 64.22 ?  4  CYS A HB2  19 
ATOM   4162 H HB3  . CYS A 1 4  ? -1.425  -0.228  0.941  1.00 55.24 ?  4  CYS A HB3  19 
ATOM   4163 N N    . THR A 1 5  ? -1.933  -2.520  -0.879 1.00 33.14 ?  5  THR A N    19 
ATOM   4164 C CA   . THR A 1 5  ? -2.526  -2.580  -2.209 1.00 53.20 ?  5  THR A CA   19 
ATOM   4165 C C    . THR A 1 5  ? -3.433  -3.795  -2.353 1.00 2.14  ?  5  THR A C    19 
ATOM   4166 O O    . THR A 1 5  ? -4.414  -3.765  -3.096 1.00 45.33 ?  5  THR A O    19 
ATOM   4167 C CB   . THR A 1 5  ? -1.444  -2.627  -3.304 1.00 34.35 ?  5  THR A CB   19 
ATOM   4168 O OG1  . THR A 1 5  ? -0.417  -1.671  -3.021 1.00 72.22 ?  5  THR A OG1  19 
ATOM   4169 C CG2  . THR A 1 5  ? -2.047  -2.342  -4.672 1.00 23.04 ?  5  THR A CG2  19 
ATOM   4170 H H    . THR A 1 5  ? -0.971  -2.675  -0.776 1.00 60.31 ?  5  THR A H    19 
ATOM   4171 H HA   . THR A 1 5  ? -3.114  -1.684  -2.352 1.00 24.12 ?  5  THR A HA   19 
ATOM   4172 H HB   . THR A 1 5  ? -1.010  -3.617  -3.318 1.00 23.31 ?  5  THR A HB   19 
ATOM   4173 H HG1  . THR A 1 5  ? -0.818  -0.831  -2.784 1.00 50.44 ?  5  THR A HG1  19 
ATOM   4174 H HG21 . THR A 1 5  ? -1.332  -2.597  -5.441 1.00 45.03 ?  5  THR A HG21 19 
ATOM   4175 H HG22 . THR A 1 5  ? -2.940  -2.934  -4.802 1.00 42.20 ?  5  THR A HG22 19 
ATOM   4176 H HG23 . THR A 1 5  ? -2.296  -1.294  -4.745 1.00 23.13 ?  5  THR A HG23 19 
ATOM   4177 N N    . ASP A 1 6  ? -3.101  -4.863  -1.637 1.00 3.10  ?  6  ASP A N    19 
ATOM   4178 C CA   . ASP A 1 6  ? -3.888  -6.091  -1.683 1.00 50.31 ?  6  ASP A CA   19 
ATOM   4179 C C    . ASP A 1 6  ? -5.147  -5.961  -0.830 1.00 20.41 ?  6  ASP A C    19 
ATOM   4180 O O    . ASP A 1 6  ? -5.188  -5.218  0.150  1.00 44.31 ?  6  ASP A O    19 
ATOM   4181 C CB   . ASP A 1 6  ? -3.051  -7.277  -1.204 1.00 73.24 ?  6  ASP A CB   19 
ATOM   4182 C CG   . ASP A 1 6  ? -2.228  -7.893  -2.318 1.00 24.01 ?  6  ASP A CG   19 
ATOM   4183 O OD1  . ASP A 1 6  ? -1.102  -7.410  -2.561 1.00 3.32  ?  6  ASP A OD1  19 
ATOM   4184 O OD2  . ASP A 1 6  ? -2.709  -8.859  -2.946 1.00 15.43 -1 6  ASP A OD2  19 
ATOM   4185 H H    . ASP A 1 6  ? -2.308  -4.826  -1.062 1.00 22.03 ?  6  ASP A H    19 
ATOM   4186 H HA   . ASP A 1 6  ? -4.179  -6.259  -2.709 1.00 52.23 ?  6  ASP A HA   19 
ATOM   4187 H HB2  . ASP A 1 6  ? -2.379  -6.944  -0.426 1.00 62.22 ?  6  ASP A HB2  19 
ATOM   4188 H HB3  . ASP A 1 6  ? -3.709  -8.036  -0.805 1.00 75.25 ?  6  ASP A HB3  19 
ATOM   4189 N N    . PRO A 1 7  ? -6.198  -6.702  -1.211 1.00 4.05  ?  7  PRO A N    19 
ATOM   4190 C CA   . PRO A 1 7  ? -7.477  -6.687  -0.495 1.00 44.51 ?  7  PRO A CA   19 
ATOM   4191 C C    . PRO A 1 7  ? -7.382  -7.350  0.875  1.00 2.22  ?  7  PRO A C    19 
ATOM   4192 O O    . PRO A 1 7  ? -7.889  -6.824  1.866  1.00 33.15 ?  7  PRO A O    19 
ATOM   4193 C CB   . PRO A 1 7  ? -8.406  -7.487  -1.412 1.00 22.34 ?  7  PRO A CB   19 
ATOM   4194 C CG   . PRO A 1 7  ? -7.499  -8.379  -2.186 1.00 41.54 ?  7  PRO A CG   19 
ATOM   4195 C CD   . PRO A 1 7  ? -6.220  -7.611  -2.369 1.00 33.00 ?  7  PRO A CD   19 
ATOM   4196 H HA   . PRO A 1 7  ? -7.857  -5.683  -0.382 1.00 64.43 ?  7  PRO A HA   19 
ATOM   4197 H HB2  . PRO A 1 7  ? -9.106  -8.055  -0.815 1.00 50.11 ?  7  PRO A HB2  19 
ATOM   4198 H HB3  . PRO A 1 7  ? -8.945  -6.813  -2.061 1.00 12.35 ?  7  PRO A HB3  19 
ATOM   4199 H HG2  . PRO A 1 7  ? -7.315  -9.286  -1.631 1.00 2.22  ?  7  PRO A HG2  19 
ATOM   4200 H HG3  . PRO A 1 7  ? -7.939  -8.608  -3.146 1.00 75.12 ?  7  PRO A HG3  19 
ATOM   4201 H HD2  . PRO A 1 7  ? -5.371  -8.280  -2.351 1.00 2.45  ?  7  PRO A HD2  19 
ATOM   4202 H HD3  . PRO A 1 7  ? -6.244  -7.054  -3.295 1.00 65.12 ?  7  PRO A HD3  19 
ATOM   4203 N N    . ARG A 1 8  ? -6.729  -8.507  0.923  1.00 31.05 ?  8  ARG A N    19 
ATOM   4204 C CA   . ARG A 1 8  ? -6.570  -9.242  2.172  1.00 53.43 ?  8  ARG A CA   19 
ATOM   4205 C C    . ARG A 1 8  ? -5.876  -8.382  3.224  1.00 65.42 ?  8  ARG A C    19 
ATOM   4206 O O    . ARG A 1 8  ? -6.185  -8.465  4.413  1.00 24.44 ?  8  ARG A O    19 
ATOM   4207 C CB   . ARG A 1 8  ? -5.767  -10.523 1.936  1.00 63.11 ?  8  ARG A CB   19 
ATOM   4208 C CG   . ARG A 1 8  ? -6.455  -11.509 1.007  1.00 71.54 ?  8  ARG A CG   19 
ATOM   4209 C CD   . ARG A 1 8  ? -7.403  -12.423 1.768  1.00 24.33 ?  8  ARG A CD   19 
ATOM   4210 N NE   . ARG A 1 8  ? -8.328  -13.118 0.876  1.00 70.34 ?  8  ARG A NE   19 
ATOM   4211 C CZ   . ARG A 1 8  ? -7.989  -14.172 0.142  1.00 35.53 ?  8  ARG A CZ   19 
ATOM   4212 N NH1  . ARG A 1 8  ? -6.754  -14.652 0.195  1.00 63.04 1  8  ARG A NH1  19 
ATOM   4213 N NH2  . ARG A 1 8  ? -8.887  -14.750 -0.646 1.00 10.15 ?  8  ARG A NH2  19 
ATOM   4214 H H    . ARG A 1 8  ? -6.348  -8.877  0.100  1.00 64.21 ?  8  ARG A H    19 
ATOM   4215 H HA   . ARG A 1 8  ? -7.553  -9.505  2.531  1.00 73.52 ?  8  ARG A HA   19 
ATOM   4216 H HB2  . ARG A 1 8  ? -4.812  -10.261 1.504  1.00 61.45 ?  8  ARG A HB2  19 
ATOM   4217 H HB3  . ARG A 1 8  ? -5.602  -11.010 2.885  1.00 40.11 ?  8  ARG A HB3  19 
ATOM   4218 H HG2  . ARG A 1 8  ? -7.019  -10.961 0.267  1.00 53.32 ?  8  ARG A HG2  19 
ATOM   4219 H HG3  . ARG A 1 8  ? -5.704  -12.112 0.517  1.00 30.32 ?  8  ARG A HG3  19 
ATOM   4220 H HD2  . ARG A 1 8  ? -6.821  -13.155 2.307  1.00 53.54 ?  8  ARG A HD2  19 
ATOM   4221 H HD3  . ARG A 1 8  ? -7.971  -11.828 2.468  1.00 33.33 ?  8  ARG A HD3  19 
ATOM   4222 H HE   . ARG A 1 8  ? -9.245  -12.780 0.821  1.00 23.04 ?  8  ARG A HE   19 
ATOM   4223 H HH11 . ARG A 1 8  ? -6.076  -14.219 0.789  1.00 14.24 ?  8  ARG A HH11 19 
ATOM   4224 H HH12 . ARG A 1 8  ? -6.502  -15.447 -0.357 1.00 53.33 ?  8  ARG A HH12 19 
ATOM   4225 H HH21 . ARG A 1 8  ? -9.819  -14.391 -0.687 1.00 72.15 ?  8  ARG A HH21 19 
ATOM   4226 H HH22 . ARG A 1 8  ? -8.631  -15.543 -1.197 1.00 51.31 ?  8  ARG A HH22 19 
ATOM   4227 N N    . CYS A 1 9  ? -4.936  -7.555  2.778  1.00 23.53 ?  9  CYS A N    19 
ATOM   4228 C CA   . CYS A 1 9  ? -4.197  -6.679  3.680  1.00 21.11 ?  9  CYS A CA   19 
ATOM   4229 C C    . CYS A 1 9  ? -4.937  -5.361  3.886  1.00 22.01 ?  9  CYS A C    19 
ATOM   4230 O O    . CYS A 1 9  ? -4.935  -4.802  4.983  1.00 24.12 ?  9  CYS A O    19 
ATOM   4231 C CB   . CYS A 1 9  ? -2.795  -6.409  3.127  1.00 13.23 ?  9  CYS A CB   19 
ATOM   4232 S SG   . CYS A 1 9  ? -1.448  -7.068  4.160  1.00 54.11 ?  9  CYS A SG   19 
ATOM   4233 H H    . CYS A 1 9  ? -4.733  -7.534  1.819  1.00 40.33 ?  9  CYS A H    19 
ATOM   4234 H HA   . CYS A 1 9  ? -4.108  -7.181  4.631  1.00 20.44 ?  9  CYS A HA   19 
ATOM   4235 H HB2  . CYS A 1 9  ? -2.710  -6.860  2.149  1.00 24.41 ?  9  CYS A HB2  19 
ATOM   4236 H HB3  . CYS A 1 9  ? -2.651  -5.342  3.039  1.00 71.44 ?  9  CYS A HB3  19 
ATOM   4237 N N    . ARG A 1 10 ? -5.569  -4.872  2.825  1.00 3.34  ?  10 ARG A N    19 
ATOM   4238 C CA   . ARG A 1 10 ? -6.313  -3.619  2.889  1.00 22.50 ?  10 ARG A CA   19 
ATOM   4239 C C    . ARG A 1 10 ? -7.297  -3.631  4.055  1.00 41.43 ?  10 ARG A C    19 
ATOM   4240 O O    . ARG A 1 10 ? -7.653  -2.582  4.590  1.00 53.40 ?  10 ARG A O    19 
ATOM   4241 C CB   . ARG A 1 10 ? -7.062  -3.379  1.578  1.00 31.33 ?  10 ARG A CB   19 
ATOM   4242 C CG   . ARG A 1 10 ? -7.954  -2.148  1.603  1.00 21.23 ?  10 ARG A CG   19 
ATOM   4243 C CD   . ARG A 1 10 ? -8.789  -2.039  0.337  1.00 41.14 ?  10 ARG A CD   19 
ATOM   4244 N NE   . ARG A 1 10 ? -9.621  -3.221  0.125  1.00 43.11 ?  10 ARG A NE   19 
ATOM   4245 C CZ   . ARG A 1 10 ? -10.205 -3.512  -1.031 1.00 63.03 ?  10 ARG A CZ   19 
ATOM   4246 N NH1  . ARG A 1 10 ? -10.049 -2.711  -2.077 1.00 13.21 1  10 ARG A NH1  19 
ATOM   4247 N NH2  . ARG A 1 10 ? -10.948 -4.606  -1.144 1.00 73.00 ?  10 ARG A NH2  19 
ATOM   4248 H H    . ARG A 1 10 ? -5.533  -5.363  1.978  1.00 4.50  ?  10 ARG A H    19 
ATOM   4249 H HA   . ARG A 1 10 ? -5.604  -2.819  3.040  1.00 22.35 ?  10 ARG A HA   19 
ATOM   4250 H HB2  . ARG A 1 10 ? -6.343  -3.258  0.782  1.00 62.12 ?  10 ARG A HB2  19 
ATOM   4251 H HB3  . ARG A 1 10 ? -7.679  -4.239  1.367  1.00 64.12 ?  10 ARG A HB3  19 
ATOM   4252 H HG2  . ARG A 1 10 ? -8.618  -2.212  2.453  1.00 70.13 ?  10 ARG A HG2  19 
ATOM   4253 H HG3  . ARG A 1 10 ? -7.334  -1.268  1.692  1.00 3.04  ?  10 ARG A HG3  19 
ATOM   4254 H HD2  . ARG A 1 10 ? -9.427  -1.171  0.414  1.00 75.31 ?  10 ARG A HD2  19 
ATOM   4255 H HD3  . ARG A 1 10 ? -8.125  -1.922  -0.508 1.00 15.42 ?  10 ARG A HD3  19 
ATOM   4256 H HE   . ARG A 1 10 ? -9.750  -3.826  0.885  1.00 22.23 ?  10 ARG A HE   19 
ATOM   4257 H HH11 . ARG A 1 10 ? -9.489  -1.887  -1.994 1.00 73.23 ?  10 ARG A HH11 19 
ATOM   4258 H HH12 . ARG A 1 10 ? -10.489 -2.933  -2.946 1.00 55.15 ?  10 ARG A HH12 19 
ATOM   4259 H HH21 . ARG A 1 10 ? -11.068 -5.212  -0.359 1.00 54.34 ?  10 ARG A HH21 19 
ATOM   4260 H HH22 . ARG A 1 10 ? -11.387 -4.824  -2.015 1.00 52.33 ?  10 ARG A HH22 19 
HETATM 4261 N N    . IYR A 1 11 ? -7.734  -4.825  4.444  1.00 4.14  ?  11 IYR A N    19 
HETATM 4262 C CA   . IYR A 1 11 ? -8.679  -4.974  5.548  1.00 0.21  ?  11 IYR A CA   19 
HETATM 4263 C CB   . IYR A 1 11 ? -8.899  -6.476  5.921  1.00 41.10 ?  11 IYR A CB   19 
HETATM 4264 C CC   . IYR A 1 11 ? -10.173 -7.048  5.336  1.00 75.23 ?  11 IYR A CC   19 
HETATM 4265 C CD   . IYR A 1 11 ? -10.402 -7.009  3.956  1.00 61.33 ?  11 IYR A CD   19 
HETATM 4266 C CE   . IYR A 1 11 ? -11.566 -7.545  3.410  1.00 42.44 ?  11 IYR A CE   19 
HETATM 4267 I IE   . IYR A 1 11 ? -11.866 -7.461  1.275  1.00 44.41 ?  11 IYR A IE   19 
HETATM 4268 C CF   . IYR A 1 11 ? -12.541 -8.141  4.223  1.00 74.31 ?  11 IYR A CF   19 
HETATM 4269 O OF   . IYR A 1 11 ? -13.725 -8.694  3.783  1.00 52.10 ?  11 IYR A OF   19 
HETATM 4270 C CG   . IYR A 1 11 ? -12.305 -8.178  5.606  1.00 73.43 ?  11 IYR A CG   19 
HETATM 4271 C CH   . IYR A 1 11 ? -11.146 -7.645  6.153  1.00 10.04 ?  11 IYR A CH   19 
HETATM 4272 C C    . IYR A 1 11 ? -8.034  -4.270  6.757  1.00 25.12 ?  11 IYR A C    19 
HETATM 4273 O O    . IYR A 1 11 ? -8.477  -3.201  7.175  1.00 74.52 ?  11 IYR A O    19 
HETATM 4274 H H    . IYR A 1 11 ? -7.413  -5.625  3.977  1.00 14.32 ?  11 IYR A H    19 
HETATM 4275 H HA   . IYR A 1 11 ? -9.626  -4.512  5.259  1.00 72.33 ?  11 IYR A HA   19 
HETATM 4276 H HB2  . IYR A 1 11 ? -8.030  -7.033  5.553  1.00 11.51 ?  11 IYR A HB2  19 
HETATM 4277 H HB3  . IYR A 1 11 ? -8.913  -6.559  7.013  1.00 60.32 ?  11 IYR A HB3  19 
HETATM 4278 H HD   . IYR A 1 11 ? -9.670  -6.546  3.304  1.00 22.10 ?  11 IYR A HD   19 
HETATM 4279 H HF   . IYR A 1 11 ? -14.057 -9.384  4.420  1.00 73.54 ?  11 IYR A HF   19 
HETATM 4280 H HG   . IYR A 1 11 ? -13.064 -8.635  6.229  1.00 11.24 ?  11 IYR A HG   19 
HETATM 4281 H HH   . IYR A 1 11 ? -10.992 -7.687  7.226  1.00 13.23 ?  11 IYR A HH   19 
ATOM   4282 N N    . GLN A 1 12 ? -6.990  -4.885  7.306  1.00 64.22 ?  12 GLN A N    19 
ATOM   4283 C CA   . GLN A 1 12 ? -6.291  -4.323  8.456  1.00 44.33 ?  12 GLN A CA   19 
ATOM   4284 C C    . GLN A 1 12 ? -5.716  -2.950  8.127  1.00 33.45 ?  12 GLN A C    19 
ATOM   4285 O O    . GLN A 1 12 ? -5.628  -2.078  8.992  1.00 13.21 ?  12 GLN A O    19 
ATOM   4286 C CB   . GLN A 1 12 ? -5.172  -5.263  8.907  1.00 31.21 ?  12 GLN A CB   19 
ATOM   4287 C CG   . GLN A 1 12 ? -3.881  -5.092  8.123  1.00 72.54 ?  12 GLN A CG   19 
ATOM   4288 C CD   . GLN A 1 12 ? -3.005  -6.330  8.164  1.00 2.41  ?  12 GLN A CD   19 
ATOM   4289 O OE1  . GLN A 1 12 ? -3.501  -7.453  8.242  1.00 4.14  ?  12 GLN A OE1  19 
ATOM   4290 N NE2  . GLN A 1 12 ? -1.694  -6.128  8.112  1.00 42.44 ?  12 GLN A NE2  19 
ATOM   4291 H H    . GLN A 1 12 ? -6.683  -5.735  6.928  1.00 63.03 ?  12 GLN A H    19 
ATOM   4292 H HA   . GLN A 1 12 ? -7.006  -4.218  9.258  1.00 74.14 ?  12 GLN A HA   19 
ATOM   4293 H HB2  . GLN A 1 12 ? -4.961  -5.078  9.950  1.00 65.51 ?  12 GLN A HB2  19 
ATOM   4294 H HB3  . GLN A 1 12 ? -5.506  -6.284  8.791  1.00 55.52 ?  12 GLN A HB3  19 
ATOM   4295 H HG2  . GLN A 1 12 ? -4.126  -4.879  7.093  1.00 33.31 ?  12 GLN A HG2  19 
ATOM   4296 H HG3  . GLN A 1 12 ? -3.328  -4.264  8.540  1.00 2.55  ?  12 GLN A HG3  19 
ATOM   4297 H HE21 . GLN A 1 12 ? -1.369  -5.204  8.052  1.00 20.44 ?  12 GLN A HE21 19 
ATOM   4298 H HE22 . GLN A 1 12 ? -1.104  -6.909  8.138  1.00 41.34 ?  12 GLN A HE22 19 
ATOM   4299 N N    . CYS A 1 13 ? -5.327  -2.763  6.870  1.00 25.25 ?  13 CYS A N    19 
ATOM   4300 C CA   . CYS A 1 13 ? -4.759  -1.496  6.425  1.00 24.34 ?  13 CYS A CA   19 
ATOM   4301 C C    . CYS A 1 13 ? -5.755  -0.355  6.619  1.00 61.23 ?  13 CYS A C    19 
ATOM   4302 O O    . CYS A 1 13 ? -5.371  0.774   6.924  1.00 1.13  ?  13 CYS A O    19 
ATOM   4303 C CB   . CYS A 1 13 ? -4.349  -1.585  4.954  1.00 11.44 ?  13 CYS A CB   19 
ATOM   4304 S SG   . CYS A 1 13 ? -2.649  -1.019  4.621  1.00 70.22 ?  13 CYS A SG   19 
ATOM   4305 H H    . CYS A 1 13 ? -5.422  -3.496  6.225  1.00 70.11 ?  13 CYS A H    19 
ATOM   4306 H HA   . CYS A 1 13 ? -3.883  -1.297  7.023  1.00 71.43 ?  13 CYS A HA   19 
ATOM   4307 H HB2  . CYS A 1 13 ? -4.421  -2.613  4.630  1.00 64.53 ?  13 CYS A HB2  19 
ATOM   4308 H HB3  . CYS A 1 13 ? -5.020  -0.979  4.364  1.00 23.34 ?  13 CYS A HB3  19 
ATOM   4309 N N    . TYR A 1 14 ? -7.035  -0.660  6.439  1.00 22.23 ?  14 TYR A N    19 
ATOM   4310 C CA   . TYR A 1 14 ? -8.087  0.338   6.592  1.00 41.03 ?  14 TYR A CA   19 
ATOM   4311 C C    . TYR A 1 14 ? -9.330  -0.273  7.230  1.00 41.31 ?  14 TYR A C    19 
ATOM   4312 O O    . TYR A 1 14 ? -10.064 -1.028  6.591  1.00 14.42 ?  14 TYR A O    19 
ATOM   4313 C CB   . TYR A 1 14 ? -8.443  0.946   5.234  1.00 50.31 ?  14 TYR A CB   19 
ATOM   4314 C CG   . TYR A 1 14 ? -7.547  2.096   4.831  1.00 32.42 ?  14 TYR A CG   19 
ATOM   4315 C CD1  . TYR A 1 14 ? -6.857  2.076   3.625  1.00 72.15 ?  14 TYR A CD1  19 
ATOM   4316 C CD2  . TYR A 1 14 ? -7.392  3.203   5.656  1.00 25.42 ?  14 TYR A CD2  19 
ATOM   4317 C CE1  . TYR A 1 14 ? -6.038  3.123   3.254  1.00 24.03 ?  14 TYR A CE1  19 
ATOM   4318 C CE2  . TYR A 1 14 ? -6.575  4.256   5.292  1.00 41.21 ?  14 TYR A CE2  19 
ATOM   4319 C CZ   . TYR A 1 14 ? -5.900  4.211   4.090  1.00 60.41 ?  14 TYR A CZ   19 
ATOM   4320 O OH   . TYR A 1 14 ? -5.085  5.257   3.723  1.00 51.03 ?  14 TYR A OH   19 
ATOM   4321 H H    . TYR A 1 14 ? -7.280  -1.577  6.196  1.00 44.30 ?  14 TYR A H    19 
ATOM   4322 H HA   . TYR A 1 14 ? -7.712  1.120   7.237  1.00 0.44  ?  14 TYR A HA   19 
ATOM   4323 H HB2  . TYR A 1 14 ? -8.365  0.184   4.474  1.00 42.13 ?  14 TYR A HB2  19 
ATOM   4324 H HB3  . TYR A 1 14 ? -9.459  1.312   5.266  1.00 64.40 ?  14 TYR A HB3  19 
ATOM   4325 H HD1  . TYR A 1 14 ? -6.968  1.221   2.971  1.00 1.23  ?  14 TYR A HD1  19 
ATOM   4326 H HD2  . TYR A 1 14 ? -7.922  3.235   6.597  1.00 52.34 ?  14 TYR A HD2  19 
ATOM   4327 H HE1  . TYR A 1 14 ? -5.509  3.088   2.313  1.00 35.44 ?  14 TYR A HE1  19 
ATOM   4328 H HE2  . TYR A 1 14 ? -6.467  5.107   5.946  1.00 11.21 ?  14 TYR A HE2  19 
ATOM   4329 H HH   . TYR A 1 14 ? -4.378  4.931   3.161  1.00 34.25 ?  14 TYR A HH   19 
ATOM   4330 N N    . LYS A 1 15 ? -9.562  0.059   8.495  1.00 31.30 ?  15 LYS A N    19 
ATOM   4331 C CA   . LYS A 1 15 ? -10.718 -0.453  9.222  1.00 33.13 ?  15 LYS A CA   19 
ATOM   4332 C C    . LYS A 1 15 ? -12.004 -0.211  8.440  1.00 75.54 ?  15 LYS A C    19 
ATOM   4333 O O    . LYS A 1 15 ? -13.093 -0.175  9.013  1.00 12.22 ?  15 LYS A O    19 
ATOM   4334 C CB   . LYS A 1 15 ? -10.814 0.207   10.599 1.00 23.42 ?  15 LYS A CB   19 
ATOM   4335 C CG   . LYS A 1 15 ? -9.515  0.166   11.385 1.00 42.22 ?  15 LYS A CG   19 
ATOM   4336 C CD   . LYS A 1 15 ? -9.763  0.284   12.880 1.00 3.15  ?  15 LYS A CD   19 
ATOM   4337 C CE   . LYS A 1 15 ? -8.537  0.809   13.610 1.00 5.10  ?  15 LYS A CE   19 
ATOM   4338 N NZ   . LYS A 1 15 ? -8.504  2.298   13.636 1.00 24.11 1  15 LYS A NZ   19 
ATOM   4339 H H    . LYS A 1 15 ? -8.942  0.667   8.951  1.00 14.13 ?  15 LYS A H    19 
ATOM   4340 H HA   . LYS A 1 15 ? -10.584 -1.517  9.351  1.00 62.33 ?  15 LYS A HA   19 
ATOM   4341 H HB2  . LYS A 1 15 ? -11.101 1.240   10.470 1.00 40.30 ?  15 LYS A HB2  19 
ATOM   4342 H HB3  . LYS A 1 15 ? -11.575 -0.299  11.176 1.00 33.21 ?  15 LYS A HB3  19 
ATOM   4343 H HG2  . LYS A 1 15 ? -9.013  -0.770  11.187 1.00 44.53 ?  15 LYS A HG2  19 
ATOM   4344 H HG3  . LYS A 1 15 ? -8.887  0.988   11.068 1.00 11.25 ?  15 LYS A HG3  19 
ATOM   4345 H HD2  . LYS A 1 15 ? -10.586 0.962   13.047 1.00 72.23 ?  15 LYS A HD2  19 
ATOM   4346 H HD3  . LYS A 1 15 ? -10.014 -0.692  13.272 1.00 53.42 ?  15 LYS A HD3  19 
ATOM   4347 H HE2  . LYS A 1 15 ? -8.552  0.440   14.623 1.00 34.30 ?  15 LYS A HE2  19 
ATOM   4348 H HE3  . LYS A 1 15 ? -7.653  0.447   13.107 1.00 22.05 ?  15 LYS A HE3  19 
ATOM   4349 H HZ1  . LYS A 1 15 ? -8.674  2.676   12.682 1.00 60.33 ?  15 LYS A HZ1  19 
ATOM   4350 H HZ2  . LYS A 1 15 ? -9.238  2.661   14.278 1.00 62.45 ?  15 LYS A HZ2  19 
ATOM   4351 H HZ3  . LYS A 1 15 ? -7.574  2.629   13.967 1.00 41.22 ?  15 LYS A HZ3  19 
HETATM 4352 N N    . PCA A 1 1  ? 4.712   -1.289  -4.871 1.00 11.13 ?  1  PCA A N    20 
HETATM 4353 C CA   . PCA A 1 1  ? 4.327   -2.486  -4.074 1.00 24.44 ?  1  PCA A CA   20 
HETATM 4354 C CB   . PCA A 1 1  ? 5.665   -3.160  -3.751 1.00 44.42 ?  1  PCA A CB   20 
HETATM 4355 C CG   . PCA A 1 1  ? 6.591   -2.729  -4.897 1.00 33.24 ?  1  PCA A CG   20 
HETATM 4356 C CD   . PCA A 1 1  ? 6.043   -1.387  -5.345 1.00 11.24 ?  1  PCA A CD   20 
HETATM 4357 O OE   . PCA A 1 1  ? 6.626   -0.530  -5.981 1.00 22.43 ?  1  PCA A OE   20 
HETATM 4358 C C    . PCA A 1 1  ? 3.556   -2.090  -2.790 1.00 35.00 ?  1  PCA A C    20 
HETATM 4359 O O    . PCA A 1 1  ? 3.086   -0.961  -2.660 1.00 53.44 ?  1  PCA A O    20 
HETATM 4360 H HA   . PCA A 1 1  ? 3.681   -3.114  -4.691 1.00 63.24 ?  1  PCA A HA   20 
HETATM 4361 H HB2  . PCA A 1 1  ? 6.028   -2.852  -2.769 1.00 51.22 ?  1  PCA A HB2  20 
HETATM 4362 H HB3  . PCA A 1 1  ? 5.533   -4.242  -3.755 1.00 62.35 ?  1  PCA A HB3  20 
HETATM 4363 H HG2  . PCA A 1 1  ? 7.619   -2.574  -4.550 1.00 32.34 ?  1  PCA A HG2  20 
HETATM 4364 H HG3  . PCA A 1 1  ? 6.622   -3.419  -5.746 1.00 1.32  ?  1  PCA A HG3  20 
ATOM   4365 N N    . GLY A 1 2  ? 3.440   -3.034  -1.860 1.00 41.40 ?  2  GLY A N    20 
ATOM   4366 C CA   . GLY A 1 2  ? 2.737   -2.769  -0.619 1.00 31.12 ?  2  GLY A CA   20 
ATOM   4367 C C    . GLY A 1 2  ? 1.662   -3.798  -0.330 1.00 64.33 ?  2  GLY A C    20 
ATOM   4368 O O    . GLY A 1 2  ? 1.203   -4.497  -1.234 1.00 60.30 ?  2  GLY A O    20 
ATOM   4369 H H    . GLY A 1 2  ? 3.836   -3.916  -2.018 1.00 2.33  ?  2  GLY A H    20 
ATOM   4370 H HA2  . GLY A 1 2  ? 3.449   -2.770  0.193  1.00 1.55  ?  2  GLY A HA2  20 
ATOM   4371 H HA3  . GLY A 1 2  ? 2.277   -1.793  -0.679 1.00 61.12 ?  2  GLY A HA3  20 
ATOM   4372 N N    . CYS A 1 3  ? 1.259   -3.894  0.932  1.00 5.34  ?  3  CYS A N    20 
ATOM   4373 C CA   . CYS A 1 3  ? 0.234   -4.846  1.339  1.00 74.31 ?  3  CYS A CA   20 
ATOM   4374 C C    . CYS A 1 3  ? -1.159  -4.241  1.192  1.00 50.31 ?  3  CYS A C    20 
ATOM   4375 O O    . CYS A 1 3  ? -2.118  -4.938  0.859  1.00 54.34 ?  3  CYS A O    20 
ATOM   4376 C CB   . CYS A 1 3  ? 0.460   -5.284  2.787  1.00 62.42 ?  3  CYS A CB   20 
ATOM   4377 S SG   . CYS A 1 3  ? 0.032   -7.025  3.113  1.00 34.43 ?  3  CYS A SG   20 
ATOM   4378 H H    . CYS A 1 3  ? 1.663   -3.309  1.609  1.00 52.12 ?  3  CYS A H    20 
ATOM   4379 H HA   . CYS A 1 3  ? 0.308   -5.708  0.695  1.00 31.55 ?  3  CYS A HA   20 
ATOM   4380 H HB2  . CYS A 1 3  ? 1.503   -5.152  3.037  1.00 65.14 ?  3  CYS A HB2  20 
ATOM   4381 H HB3  . CYS A 1 3  ? -0.141  -4.669  3.440  1.00 35.30 ?  3  CYS A HB3  20 
ATOM   4382 N N    . CYS A 1 4  ? -1.263  -2.940  1.441  1.00 4.35  ?  4  CYS A N    20 
ATOM   4383 C CA   . CYS A 1 4  ? -2.537  -2.240  1.337  1.00 71.11 ?  4  CYS A CA   20 
ATOM   4384 C C    . CYS A 1 4  ? -3.184  -2.487  -0.023 1.00 22.25 ?  4  CYS A C    20 
ATOM   4385 O O    . CYS A 1 4  ? -4.405  -2.411  -0.166 1.00 50.41 ?  4  CYS A O    20 
ATOM   4386 C CB   . CYS A 1 4  ? -2.337  -0.738  1.553  1.00 32.54 ?  4  CYS A CB   20 
ATOM   4387 S SG   . CYS A 1 4  ? -1.677  -0.305  3.195  1.00 53.23 ?  4  CYS A SG   20 
ATOM   4388 H H    . CYS A 1 4  ? -0.462  -2.438  1.703  1.00 63.22 ?  4  CYS A H    20 
ATOM   4389 H HA   . CYS A 1 4  ? -3.190  -2.622  2.107  1.00 41.04 ?  4  CYS A HA   20 
ATOM   4390 H HB2  . CYS A 1 4  ? -1.645  -0.365  0.813  1.00 64.22 ?  4  CYS A HB2  20 
ATOM   4391 H HB3  . CYS A 1 4  ? -3.286  -0.237  1.437  1.00 55.24 ?  4  CYS A HB3  20 
ATOM   4392 N N    . THR A 1 5  ? -2.357  -2.786  -1.021 1.00 33.14 ?  5  THR A N    20 
ATOM   4393 C CA   . THR A 1 5  ? -2.847  -3.044  -2.368 1.00 53.20 ?  5  THR A CA   20 
ATOM   4394 C C    . THR A 1 5  ? -3.639  -4.345  -2.426 1.00 2.14  ?  5  THR A C    20 
ATOM   4395 O O    . THR A 1 5  ? -4.562  -4.487  -3.228 1.00 45.33 ?  5  THR A O    20 
ATOM   4396 C CB   . THR A 1 5  ? -1.689  -3.114  -3.383 1.00 34.35 ?  5  THR A CB   20 
ATOM   4397 O OG1  . THR A 1 5  ? -0.775  -4.152  -3.010 1.00 72.22 ?  5  THR A OG1  20 
ATOM   4398 C CG2  . THR A 1 5  ? -0.954  -1.786  -3.458 1.00 23.04 ?  5  THR A CG2  20 
ATOM   4399 H H    . THR A 1 5  ? -1.394  -2.832  -0.843 1.00 60.31 ?  5  THR A H    20 
ATOM   4400 H HA   . THR A 1 5  ? -3.495  -2.226  -2.650 1.00 24.12 ?  5  THR A HA   20 
ATOM   4401 H HB   . THR A 1 5  ? -2.099  -3.338  -4.357 1.00 23.31 ?  5  THR A HB   20 
ATOM   4402 H HG1  . THR A 1 5  ? -0.107  -3.794  -2.421 1.00 50.44 ?  5  THR A HG1  20 
ATOM   4403 H HG21 . THR A 1 5  ? -1.668  -0.976  -3.415 1.00 45.03 ?  5  THR A HG21 20 
ATOM   4404 H HG22 . THR A 1 5  ? -0.269  -1.706  -2.626 1.00 42.20 ?  5  THR A HG22 20 
ATOM   4405 H HG23 . THR A 1 5  ? -0.402  -1.731  -4.385 1.00 23.13 ?  5  THR A HG23 20 
ATOM   4406 N N    . ASP A 1 6  ? -3.273  -5.293  -1.570 1.00 3.10  ?  6  ASP A N    20 
ATOM   4407 C CA   . ASP A 1 6  ? -3.950  -6.584  -1.522 1.00 50.31 ?  6  ASP A CA   20 
ATOM   4408 C C    . ASP A 1 6  ? -5.304  -6.461  -0.830 1.00 20.41 ?  6  ASP A C    20 
ATOM   4409 O O    . ASP A 1 6  ? -5.518  -5.597  0.020  1.00 44.31 ?  6  ASP A O    20 
ATOM   4410 C CB   . ASP A 1 6  ? -3.083  -7.613  -0.795 1.00 73.24 ?  6  ASP A CB   20 
ATOM   4411 C CG   . ASP A 1 6  ? -2.181  -8.380  -1.741 1.00 24.01 ?  6  ASP A CG   20 
ATOM   4412 O OD1  . ASP A 1 6  ? -1.061  -8.745  -1.327 1.00 3.32  ?  6  ASP A OD1  20 
ATOM   4413 O OD2  . ASP A 1 6  ? -2.593  -8.617  -2.896 1.00 15.43 -1 6  ASP A OD2  20 
ATOM   4414 H H    . ASP A 1 6  ? -2.529  -5.121  -0.955 1.00 22.03 ?  6  ASP A H    20 
ATOM   4415 H HA   . ASP A 1 6  ? -4.108  -6.913  -2.538 1.00 52.23 ?  6  ASP A HA   20 
ATOM   4416 H HB2  . ASP A 1 6  ? -2.464  -7.104  -0.070 1.00 62.22 ?  6  ASP A HB2  20 
ATOM   4417 H HB3  . ASP A 1 6  ? -3.723  -8.317  -0.285 1.00 75.25 ?  6  ASP A HB3  20 
ATOM   4418 N N    . PRO A 1 7  ? -6.242  -7.345  -1.203 1.00 4.05  ?  7  PRO A N    20 
ATOM   4419 C CA   . PRO A 1 7  ? -7.592  -7.356  -0.630 1.00 44.51 ?  7  PRO A CA   20 
ATOM   4420 C C    . PRO A 1 7  ? -7.600  -7.811  0.825  1.00 2.22  ?  7  PRO A C    20 
ATOM   4421 O O    . PRO A 1 7  ? -8.304  -7.242  1.658  1.00 33.15 ?  7  PRO A O    20 
ATOM   4422 C CB   . PRO A 1 7  ? -8.341  -8.359  -1.510 1.00 22.34 ?  7  PRO A CB   20 
ATOM   4423 C CG   . PRO A 1 7  ? -7.282  -9.259  -2.047 1.00 41.54 ?  7  PRO A CG   20 
ATOM   4424 C CD   . PRO A 1 7  ? -6.056  -8.402  -2.211 1.00 33.00 ?  7  PRO A CD   20 
ATOM   4425 H HA   . PRO A 1 7  ? -8.062  -6.386  -0.705 1.00 64.43 ?  7  PRO A HA   20 
ATOM   4426 H HB2  . PRO A 1 7  ? -9.056  -8.905  -0.909 1.00 50.11 ?  7  PRO A HB2  20 
ATOM   4427 H HB3  . PRO A 1 7  ? -8.854  -7.837  -2.303 1.00 12.35 ?  7  PRO A HB3  20 
ATOM   4428 H HG2  . PRO A 1 7  ? -7.090  -10.058 -1.349 1.00 2.22  ?  7  PRO A HG2  20 
ATOM   4429 H HG3  . PRO A 1 7  ? -7.589  -9.658  -3.002 1.00 75.12 ?  7  PRO A HG3  20 
ATOM   4430 H HD2  . PRO A 1 7  ? -5.165  -8.977  -2.008 1.00 2.45  ?  7  PRO A HD2  20 
ATOM   4431 H HD3  . PRO A 1 7  ? -6.019  -7.983  -3.205 1.00 65.12 ?  7  PRO A HD3  20 
ATOM   4432 N N    . ARG A 1 8  ? -6.813  -8.840  1.122  1.00 31.05 ?  8  ARG A N    20 
ATOM   4433 C CA   . ARG A 1 8  ? -6.732  -9.373  2.478  1.00 53.43 ?  8  ARG A CA   20 
ATOM   4434 C C    . ARG A 1 8  ? -6.088  -8.361  3.421  1.00 65.42 ?  8  ARG A C    20 
ATOM   4435 O O    . ARG A 1 8  ? -6.468  -8.253  4.587  1.00 24.44 ?  8  ARG A O    20 
ATOM   4436 C CB   . ARG A 1 8  ? -5.934  -10.677 2.489  1.00 63.11 ?  8  ARG A CB   20 
ATOM   4437 C CG   . ARG A 1 8  ? -6.720  -11.876 1.986  1.00 71.54 ?  8  ARG A CG   20 
ATOM   4438 C CD   . ARG A 1 8  ? -5.797  -12.983 1.498  1.00 24.33 ?  8  ARG A CD   20 
ATOM   4439 N NE   . ARG A 1 8  ? -5.366  -12.769 0.120  1.00 70.34 ?  8  ARG A NE   20 
ATOM   4440 C CZ   . ARG A 1 8  ? -6.109  -13.072 -0.938 1.00 35.53 ?  8  ARG A CZ   20 
ATOM   4441 N NH1  . ARG A 1 8  ? -7.316  -13.599 -0.776 1.00 63.04 1  8  ARG A NH1  20 
ATOM   4442 N NH2  . ARG A 1 8  ? -5.647  -12.848 -2.162 1.00 10.15 ?  8  ARG A NH2  20 
ATOM   4443 H H    . ARG A 1 8  ? -6.276  -9.252  0.415  1.00 64.21 ?  8  ARG A H    20 
ATOM   4444 H HA   . ARG A 1 8  ? -7.737  -9.572  2.817  1.00 73.52 ?  8  ARG A HA   20 
ATOM   4445 H HB2  . ARG A 1 8  ? -5.062  -10.557 1.863  1.00 61.45 ?  8  ARG A HB2  20 
ATOM   4446 H HB3  . ARG A 1 8  ? -5.615  -10.882 3.500  1.00 40.11 ?  8  ARG A HB3  20 
ATOM   4447 H HG2  . ARG A 1 8  ? -7.329  -12.260 2.791  1.00 53.32 ?  8  ARG A HG2  20 
ATOM   4448 H HG3  . ARG A 1 8  ? -7.353  -11.562 1.169  1.00 30.32 ?  8  ARG A HG3  20 
ATOM   4449 H HD2  . ARG A 1 8  ? -4.927  -13.015 2.137  1.00 53.54 ?  8  ARG A HD2  20 
ATOM   4450 H HD3  . ARG A 1 8  ? -6.322  -13.924 1.560  1.00 33.33 ?  8  ARG A HD3  20 
ATOM   4451 H HE   . ARG A 1 8  ? -4.478  -12.381 -0.023 1.00 23.04 ?  8  ARG A HE   20 
ATOM   4452 H HH11 . ARG A 1 8  ? -7.666  -13.768 0.144  1.00 14.24 ?  8  ARG A HH11 20 
ATOM   4453 H HH12 . ARG A 1 8  ? -7.874  -13.826 -1.574 1.00 53.33 ?  8  ARG A HH12 20 
ATOM   4454 H HH21 . ARG A 1 8  ? -4.739  -12.451 -2.287 1.00 72.15 ?  8  ARG A HH21 20 
ATOM   4455 H HH22 . ARG A 1 8  ? -6.208  -13.077 -2.957 1.00 51.31 ?  8  ARG A HH22 20 
ATOM   4456 N N    . CYS A 1 9  ? -5.109  -7.622  2.908  1.00 23.53 ?  9  CYS A N    20 
ATOM   4457 C CA   . CYS A 1 9  ? -4.410  -6.620  3.704  1.00 21.11 ?  9  CYS A CA   20 
ATOM   4458 C C    . CYS A 1 9  ? -5.176  -5.300  3.712  1.00 22.01 ?  9  CYS A C    20 
ATOM   4459 O O    . CYS A 1 9  ? -5.090  -4.527  4.666  1.00 24.12 ?  9  CYS A O    20 
ATOM   4460 C CB   . CYS A 1 9  ? -2.997  -6.400  3.158  1.00 13.23 ?  9  CYS A CB   20 
ATOM   4461 S SG   . CYS A 1 9  ? -1.673  -6.987  4.263  1.00 54.11 ?  9  CYS A SG   20 
ATOM   4462 H H    . CYS A 1 9  ? -4.850  -7.754  1.972  1.00 40.33 ?  9  CYS A H    20 
ATOM   4463 H HA   . CYS A 1 9  ? -4.341  -6.988  4.716  1.00 20.44 ?  9  CYS A HA   20 
ATOM   4464 H HB2  . CYS A 1 9  ? -2.898  -6.923  2.219  1.00 24.41 ?  9  CYS A HB2  20 
ATOM   4465 H HB3  . CYS A 1 9  ? -2.845  -5.343  2.994  1.00 71.44 ?  9  CYS A HB3  20 
ATOM   4466 N N    . ARG A 1 10 ? -5.925  -5.051  2.643  1.00 3.34  ?  10 ARG A N    20 
ATOM   4467 C CA   . ARG A 1 10 ? -6.706  -3.825  2.526  1.00 22.50 ?  10 ARG A CA   20 
ATOM   4468 C C    . ARG A 1 10 ? -7.554  -3.601  3.774  1.00 41.43 ?  10 ARG A C    20 
ATOM   4469 O O    . ARG A 1 10 ? -7.787  -2.463  4.181  1.00 53.40 ?  10 ARG A O    20 
ATOM   4470 C CB   . ARG A 1 10 ? -7.604  -3.883  1.289  1.00 31.33 ?  10 ARG A CB   20 
ATOM   4471 C CG   . ARG A 1 10 ? -8.592  -2.732  1.199  1.00 21.23 ?  10 ARG A CG   20 
ATOM   4472 C CD   . ARG A 1 10 ? -7.879  -1.398  1.039  1.00 41.14 ?  10 ARG A CD   20 
ATOM   4473 N NE   . ARG A 1 10 ? -8.683  -0.435  0.291  1.00 43.11 ?  10 ARG A NE   20 
ATOM   4474 C CZ   . ARG A 1 10 ? -8.434  0.870   0.270  1.00 63.03 ?  10 ARG A CZ   20 
ATOM   4475 N NH1  . ARG A 1 10 ? -7.409  1.364   0.951  1.00 13.21 1  10 ARG A NH1  20 
ATOM   4476 N NH2  . ARG A 1 10 ? -9.211  1.683   -0.434 1.00 73.00 ?  10 ARG A NH2  20 
ATOM   4477 H H    . ARG A 1 10 ? -5.953  -5.707  1.915  1.00 4.50  ?  10 ARG A H    20 
ATOM   4478 H HA   . ARG A 1 10 ? -6.016  -3.001  2.420  1.00 22.35 ?  10 ARG A HA   20 
ATOM   4479 H HB2  . ARG A 1 10 ? -6.982  -3.865  0.406  1.00 62.12 ?  10 ARG A HB2  20 
ATOM   4480 H HB3  . ARG A 1 10 ? -8.162  -4.807  1.308  1.00 64.12 ?  10 ARG A HB3  20 
ATOM   4481 H HG2  . ARG A 1 10 ? -9.235  -2.888  0.347  1.00 70.13 ?  10 ARG A HG2  20 
ATOM   4482 H HG3  . ARG A 1 10 ? -9.185  -2.708  2.101  1.00 3.04  ?  10 ARG A HG3  20 
ATOM   4483 H HD2  . ARG A 1 10 ? -7.671  -0.995  2.019  1.00 75.31 ?  10 ARG A HD2  20 
ATOM   4484 H HD3  . ARG A 1 10 ? -6.949  -1.563  0.514  1.00 15.42 ?  10 ARG A HD3  20 
ATOM   4485 H HE   . ARG A 1 10 ? -9.445  -0.778  -0.219 1.00 22.23 ?  10 ARG A HE   20 
ATOM   4486 H HH11 . ARG A 1 10 ? -6.822  0.754   1.482  1.00 73.23 ?  10 ARG A HH11 20 
ATOM   4487 H HH12 . ARG A 1 10 ? -7.223  2.347   0.933  1.00 55.15 ?  10 ARG A HH12 20 
ATOM   4488 H HH21 . ARG A 1 10 ? -9.984  1.314   -0.949 1.00 54.34 ?  10 ARG A HH21 20 
ATOM   4489 H HH22 . ARG A 1 10 ? -9.023  2.665   -0.449 1.00 52.33 ?  10 ARG A HH22 20 
HETATM 4490 N N    . IYR A 1 11 ? -8.013  -4.692  4.376  1.00 4.14  ?  11 IYR A N    20 
HETATM 4491 C CA   . IYR A 1 11 ? -8.838  -4.614  5.580  1.00 0.21  ?  11 IYR A CA   20 
HETATM 4492 C CB   . IYR A 1 11 ? -9.389  -6.017  5.995  1.00 41.10 ?  11 IYR A CB   20 
HETATM 4493 C CC   . IYR A 1 11 ? -10.715 -6.347  5.345  1.00 75.23 ?  11 IYR A CC   20 
HETATM 4494 C CD   . IYR A 1 11 ? -10.768 -6.760  4.009  1.00 61.33 ?  11 IYR A CD   20 
HETATM 4495 C CE   . IYR A 1 11 ? -11.985 -7.077  3.407  1.00 42.44 ?  11 IYR A CE   20 
HETATM 4496 I IE   . IYR A 1 11 ? -12.008 -7.712  1.345  1.00 44.41 ?  11 IYR A IE   20 
HETATM 4497 C CF   . IYR A 1 11 ? -13.188 -6.994  4.119  1.00 74.31 ?  11 IYR A CF   20 
HETATM 4498 O OF   . IYR A 1 11 ? -14.440 -7.279  3.616  1.00 52.10 ?  11 IYR A OF   20 
HETATM 4499 C CG   . IYR A 1 11 ? -13.129 -6.579  5.460  1.00 73.43 ?  11 IYR A CG   20 
HETATM 4500 C CH   . IYR A 1 11 ? -11.919 -6.264  6.061  1.00 10.04 ?  11 IYR A CH   20 
HETATM 4501 C C    . IYR A 1 11 ? -7.907  -4.114  6.702  1.00 25.12 ?  11 IYR A C    20 
HETATM 4502 O O    . IYR A 1 11 ? -8.240  -3.177  7.427  1.00 74.52 ?  11 IYR A O    20 
HETATM 4503 H H    . IYR A 1 11 ? -7.793  -5.572  4.004  1.00 14.32 ?  11 IYR A H    20 
HETATM 4504 H HA   . IYR A 1 11 ? -9.664  -3.924  5.391  1.00 72.33 ?  11 IYR A HA   20 
HETATM 4505 H HB2  . IYR A 1 11 ? -8.634  -6.760  5.712  1.00 11.51 ?  11 IYR A HB2  20 
HETATM 4506 H HB3  . IYR A 1 11 ? -9.486  -6.037  7.086  1.00 60.32 ?  11 IYR A HB3  20 
HETATM 4507 H HD   . IYR A 1 11 ? -9.854  -6.824  3.431  1.00 22.10 ?  11 IYR A HD   20 
HETATM 4508 H HF   . IYR A 1 11 ? -14.485 -7.092  2.638  1.00 73.54 ?  11 IYR A HF   20 
HETATM 4509 H HG   . IYR A 1 11 ? -14.064 -6.513  6.002  1.00 11.24 ?  11 IYR A HG   20 
HETATM 4510 H HH   . IYR A 1 11 ? -11.904 -5.946  7.097  1.00 13.23 ?  11 IYR A HH   20 
ATOM   4511 N N    . GLN A 1 12 ? -6.748  -4.751  6.829  1.00 64.22 ?  12 GLN A N    20 
ATOM   4512 C CA   . GLN A 1 12 ? -5.779  -4.377  7.852  1.00 44.33 ?  12 GLN A CA   20 
ATOM   4513 C C    . GLN A 1 12 ? -5.387  -2.908  7.719  1.00 33.45 ?  12 GLN A C    20 
ATOM   4514 O O    . GLN A 1 12 ? -5.281  -2.191  8.714  1.00 13.21 ?  12 GLN A O    20 
ATOM   4515 C CB   . GLN A 1 12 ? -4.533  -5.259  7.753  1.00 31.21 ?  12 GLN A CB   20 
ATOM   4516 C CG   . GLN A 1 12 ? -3.765  -5.376  9.060  1.00 72.54 ?  12 GLN A CG   20 
ATOM   4517 C CD   . GLN A 1 12 ? -4.554  -6.092  10.139 1.00 2.41  ?  12 GLN A CD   20 
ATOM   4518 O OE1  . GLN A 1 12 ? -5.335  -7.000  9.854  1.00 4.14  ?  12 GLN A OE1  20 
ATOM   4519 N NE2  . GLN A 1 12 ? -4.353  -5.686  11.388 1.00 42.44 ?  12 GLN A NE2  20 
ATOM   4520 H H    . GLN A 1 12 ? -6.539  -5.491  6.222  1.00 63.03 ?  12 GLN A H    20 
ATOM   4521 H HA   . GLN A 1 12 ? -6.239  -4.527  8.817  1.00 74.14 ?  12 GLN A HA   20 
ATOM   4522 H HB2  . GLN A 1 12 ? -4.833  -6.250  7.447  1.00 65.51 ?  12 GLN A HB2  20 
ATOM   4523 H HB3  . GLN A 1 12 ? -3.871  -4.846  7.008  1.00 55.52 ?  12 GLN A HB3  20 
ATOM   4524 H HG2  . GLN A 1 12 ? -2.853  -5.925  8.879  1.00 33.31 ?  12 GLN A HG2  20 
ATOM   4525 H HG3  . GLN A 1 12 ? -3.523  -4.384  9.409  1.00 2.55  ?  12 GLN A HG3  20 
ATOM   4526 H HE21 . GLN A 1 12 ? -3.716  -4.955  11.539 1.00 20.44 ?  12 GLN A HE21 20 
ATOM   4527 H HE22 . GLN A 1 12 ? -4.850  -6.130  12.105 1.00 41.34 ?  12 GLN A HE22 20 
ATOM   4528 N N    . CYS A 1 13 ? -5.172  -2.468  6.484  1.00 25.25 ?  13 CYS A N    20 
ATOM   4529 C CA   . CYS A 1 13 ? -4.791  -1.086  6.219  1.00 24.34 ?  13 CYS A CA   20 
ATOM   4530 C C    . CYS A 1 13 ? -5.973  -0.145  6.435  1.00 61.23 ?  13 CYS A C    20 
ATOM   4531 O O    . CYS A 1 13 ? -5.804  0.988   6.884  1.00 1.13  ?  13 CYS A O    20 
ATOM   4532 C CB   . CYS A 1 13 ? -4.266  -0.945  4.789  1.00 11.44 ?  13 CYS A CB   20 
ATOM   4533 S SG   . CYS A 1 13 ? -2.528  -1.449  4.582  1.00 70.22 ?  13 CYS A SG   20 
ATOM   4534 H H    . CYS A 1 13 ? -5.272  -3.089  5.731  1.00 70.11 ?  13 CYS A H    20 
ATOM   4535 H HA   . CYS A 1 13 ? -4.005  -0.820  6.911  1.00 71.43 ?  13 CYS A HA   20 
ATOM   4536 H HB2  . CYS A 1 13 ? -4.866  -1.556  4.132  1.00 64.53 ?  13 CYS A HB2  20 
ATOM   4537 H HB3  . CYS A 1 13 ? -4.348  0.089   4.485  1.00 23.34 ?  13 CYS A HB3  20 
ATOM   4538 N N    . TYR A 1 14 ? -7.169  -0.624  6.111  1.00 22.23 ?  14 TYR A N    20 
ATOM   4539 C CA   . TYR A 1 14 ? -8.380  0.174   6.267  1.00 41.03 ?  14 TYR A CA   20 
ATOM   4540 C C    . TYR A 1 14 ? -9.186  -0.289  7.477  1.00 41.31 ?  14 TYR A C    20 
ATOM   4541 O O    . TYR A 1 14 ? -10.345 -0.684  7.352  1.00 14.42 ?  14 TYR A O    20 
ATOM   4542 C CB   . TYR A 1 14 ? -9.239  0.086   5.004  1.00 50.31 ?  14 TYR A CB   20 
ATOM   4543 C CG   . TYR A 1 14 ? -10.159 1.271   4.815  1.00 32.42 ?  14 TYR A CG   20 
ATOM   4544 C CD1  . TYR A 1 14 ? -9.711  2.434   4.203  1.00 72.15 ?  14 TYR A CD1  20 
ATOM   4545 C CD2  . TYR A 1 14 ? -11.479 1.227   5.249  1.00 25.42 ?  14 TYR A CD2  20 
ATOM   4546 C CE1  . TYR A 1 14 ? -10.549 3.519   4.028  1.00 24.03 ?  14 TYR A CE1  20 
ATOM   4547 C CE2  . TYR A 1 14 ? -12.324 2.306   5.079  1.00 41.21 ?  14 TYR A CE2  20 
ATOM   4548 C CZ   . TYR A 1 14 ? -11.854 3.450   4.468  1.00 60.41 ?  14 TYR A CZ   20 
ATOM   4549 O OH   . TYR A 1 14 ? -12.692 4.528   4.295  1.00 51.03 ?  14 TYR A OH   20 
ATOM   4550 H H    . TYR A 1 14 ? -7.241  -1.536  5.758  1.00 44.30 ?  14 TYR A H    20 
ATOM   4551 H HA   . TYR A 1 14 ? -8.082  1.201   6.417  1.00 0.44  ?  14 TYR A HA   20 
ATOM   4552 H HB2  . TYR A 1 14 ? -8.594  0.028   4.142  1.00 42.13 ?  14 TYR A HB2  20 
ATOM   4553 H HB3  . TYR A 1 14 ? -9.849  -0.803  5.053  1.00 64.40 ?  14 TYR A HB3  20 
ATOM   4554 H HD1  . TYR A 1 14 ? -8.688  2.484   3.858  1.00 1.23  ?  14 TYR A HD1  20 
ATOM   4555 H HD2  . TYR A 1 14 ? -11.844 0.329   5.728  1.00 52.34 ?  14 TYR A HD2  20 
ATOM   4556 H HE1  . TYR A 1 14 ? -10.180 4.415   3.549  1.00 35.44 ?  14 TYR A HE1  20 
ATOM   4557 H HE2  . TYR A 1 14 ? -13.346 2.252   5.422  1.00 11.21 ?  14 TYR A HE2  20 
ATOM   4558 H HH   . TYR A 1 14 ? -12.487 4.961   3.463  1.00 34.25 ?  14 TYR A HH   20 
ATOM   4559 N N    . LYS A 1 15 ? -8.562  -0.236  8.649  1.00 31.30 ?  15 LYS A N    20 
ATOM   4560 C CA   . LYS A 1 15 ? -9.219  -0.647  9.884  1.00 33.13 ?  15 LYS A CA   20 
ATOM   4561 C C    . LYS A 1 15 ? -10.432 0.231   10.174 1.00 75.54 ?  15 LYS A C    20 
ATOM   4562 O O    . LYS A 1 15 ? -11.424 -0.230  10.740 1.00 12.22 ?  15 LYS A O    20 
ATOM   4563 C CB   . LYS A 1 15 ? -8.237  -0.580  11.055 1.00 23.42 ?  15 LYS A CB   20 
ATOM   4564 C CG   . LYS A 1 15 ? -7.789  0.831   11.394 1.00 42.22 ?  15 LYS A CG   20 
ATOM   4565 C CD   . LYS A 1 15 ? -6.448  0.834   12.107 1.00 3.15  ?  15 LYS A CD   20 
ATOM   4566 C CE   . LYS A 1 15 ? -5.894  2.244   12.246 1.00 5.10  ?  15 LYS A CE   20 
ATOM   4567 N NZ   . LYS A 1 15 ? -6.376  2.910   13.488 1.00 24.11 1  15 LYS A NZ   20 
ATOM   4568 H H    . LYS A 1 15 ? -7.637  0.088   8.685  1.00 14.13 ?  15 LYS A H    20 
ATOM   4569 H HA   . LYS A 1 15 ? -9.550  -1.667  9.761  1.00 62.33 ?  15 LYS A HA   20 
ATOM   4570 H HB2  . LYS A 1 15 ? -8.708  -1.006  11.930 1.00 40.30 ?  15 LYS A HB2  20 
ATOM   4571 H HB3  . LYS A 1 15 ? -7.361  -1.164  10.809 1.00 33.21 ?  15 LYS A HB3  20 
ATOM   4572 H HG2  . LYS A 1 15 ? -7.701  1.399   10.480 1.00 44.53 ?  15 LYS A HG2  20 
ATOM   4573 H HG3  . LYS A 1 15 ? -8.528  1.289   12.035 1.00 11.25 ?  15 LYS A HG3  20 
ATOM   4574 H HD2  . LYS A 1 15 ? -6.571  0.410   13.093 1.00 72.23 ?  15 LYS A HD2  20 
ATOM   4575 H HD3  . LYS A 1 15 ? -5.747  0.236   11.542 1.00 53.42 ?  15 LYS A HD3  20 
ATOM   4576 H HE2  . LYS A 1 15 ? -4.816  2.193   12.271 1.00 34.30 ?  15 LYS A HE2  20 
ATOM   4577 H HE3  . LYS A 1 15 ? -6.207  2.826   11.391 1.00 22.05 ?  15 LYS A HE3  20 
ATOM   4578 H HZ1  . LYS A 1 15 ? -7.244  3.448   13.292 1.00 60.33 ?  15 LYS A HZ1  20 
ATOM   4579 H HZ2  . LYS A 1 15 ? -6.581  2.198   14.219 1.00 62.45 ?  15 LYS A HZ2  20 
ATOM   4580 H HZ3  . LYS A 1 15 ? -5.651  3.561   13.849 1.00 41.22 ?  15 LYS A HZ3  20 
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