data_9FRO
# 
_entry.id   9FRO 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.400 
_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   9FRO         pdb_00009fro 10.2210/pdb9fro/pdb 
WWPDB D_1292139551 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2024-12-04 
2 'Structure model' 1 1 2024-12-25 
# 
_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_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume'          
2 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9FRO 
_pdbx_database_status.recvd_initial_deposition_date   2024-06-19 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB . 8r3b unspecified 
PDB . 8r3c unspecified 
PDB . 8r3d unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              peter.crowley@universityofgalway.ie 
_pdbx_contact_author.name_first         Peter 
_pdbx_contact_author.name_last          Crowley 
_pdbx_contact_author.name_mi            B. 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-5365-0096 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Flood, R.J.'   1 0000-0002-0848-4236 
'Crowley, P.B.' 2 0000-0002-5365-0096 
# 
loop_
_citation.abstract 
_citation.abstract_id_CAS 
_citation.book_id_ISBN 
_citation.book_publisher 
_citation.book_publisher_city 
_citation.book_title 
_citation.coordinate_linkage 
_citation.country 
_citation.database_id_Medline 
_citation.details 
_citation.id 
_citation.journal_abbrev 
_citation.journal_id_ASTM 
_citation.journal_id_CSD 
_citation.journal_id_ISSN 
_citation.journal_full 
_citation.journal_issue 
_citation.journal_volume 
_citation.language 
_citation.page_first 
_citation.page_last 
_citation.title 
_citation.year 
_citation.database_id_CSD 
_citation.pdbx_database_id_DOI 
_citation.pdbx_database_id_PubMed 
_citation.pdbx_database_id_patent 
_citation.unpublished_flag 
? ? ? ? ? ? ? ?  ? ? primary 'ACS Macro Lett'  ? ? 2161-1653 ? ? 13 ? 1686 1690 'A Macrocycle-Mediated Protein Cage.' 2024 ? 
10.1021/acsmacrolett.4c00656  39592260 ? ? 
? ? ? ? ? ? ? US ? ? 1       Biomacromolecules ? ? 1526-4602 ? ? 25 ? 1303 1309 
'Multivalent Calixarene Complexation of a Designed Pentameric Lectin.' 2024 ? 10.1080/10610278.2022.2161901 38227741 ? ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Flood, R.J.'    1 ?                   
primary 'Thureau, A.'    2 ?                   
primary 'Crowley, P.B.'  3 ?                   
1       'Flood, R.J.'    4 0000-0002-0848-4236 
1       'Cerofolini, L.' 5 0000-0002-0795-9594 
1       'Fragai, M.'     6 0000-0002-8440-1690 
1       'Crowley, P.B.'  7 0000-0002-5365-0096 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Beta propeller'                          5327.980 5   ? ? ? ? 
2 non-polymer syn 2-acetamido-2-deoxy-alpha-D-glucopyranose 221.208  4   ? ? ? ? 
3 non-polymer syn 'p-sulfonatocalix[6]arene'                1111.063 4   ? ? ? ? 
4 water       nat water                                     18.015   135 ? ? ? ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       MSGFKFLFFSPDGTLYGVHNDKLYKGTPPTSDKDNWLARATLIGNGGW 
_entity_poly.pdbx_seq_one_letter_code_can   MSGFKFLFFSPDGTLYGVHNDKLYKGTPPTSDKDNWLARATLIGNGGW 
_entity_poly.pdbx_strand_id                 A,B,E,D,C 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 2-acetamido-2-deoxy-alpha-D-glucopyranose NDG 
3 'p-sulfonatocalix[6]arene'                FWQ 
4 water                                     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  MET n 
1 2  SER n 
1 3  GLY n 
1 4  PHE n 
1 5  LYS n 
1 6  PHE n 
1 7  LEU n 
1 8  PHE n 
1 9  PHE n 
1 10 SER n 
1 11 PRO n 
1 12 ASP n 
1 13 GLY n 
1 14 THR n 
1 15 LEU n 
1 16 TYR n 
1 17 GLY n 
1 18 VAL n 
1 19 HIS n 
1 20 ASN n 
1 21 ASP n 
1 22 LYS n 
1 23 LEU n 
1 24 TYR n 
1 25 LYS n 
1 26 GLY n 
1 27 THR n 
1 28 PRO n 
1 29 PRO n 
1 30 THR n 
1 31 SER n 
1 32 ASP n 
1 33 LYS n 
1 34 ASP n 
1 35 ASN n 
1 36 TRP n 
1 37 LEU n 
1 38 ALA n 
1 39 ARG n 
1 40 ALA n 
1 41 THR n 
1 42 LEU n 
1 43 ILE n 
1 44 GLY n 
1 45 ASN n 
1 46 GLY n 
1 47 GLY n 
1 48 TRP n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   48 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Enterobacteria phage L1' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     268588 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking'           y ALANINE                                   ? 'C3 H7 N O2'        89.093   
ARG 'L-peptide linking'           y ARGININE                                  ? 'C6 H15 N4 O2 1'    175.209  
ASN 'L-peptide linking'           y ASPARAGINE                                ? 'C4 H8 N2 O3'       132.118  
ASP 'L-peptide linking'           y 'ASPARTIC ACID'                           ? 'C4 H7 N O4'        133.103  
FWQ non-polymer                   . 'p-sulfonatocalix[6]arene'                ? 'C42 H30 O24 S6 -6' 1111.063 
GLY 'peptide linking'             y GLYCINE                                   ? 'C2 H5 N O2'        75.067   
HIS 'L-peptide linking'           y HISTIDINE                                 ? 'C6 H10 N3 O2 1'    156.162  
HOH non-polymer                   . WATER                                     ? 'H2 O'              18.015   
ILE 'L-peptide linking'           y ISOLEUCINE                                ? 'C6 H13 N O2'       131.173  
LEU 'L-peptide linking'           y LEUCINE                                   ? 'C6 H13 N O2'       131.173  
LYS 'L-peptide linking'           y LYSINE                                    ? 'C6 H15 N2 O2 1'    147.195  
MET 'L-peptide linking'           y METHIONINE                                ? 'C5 H11 N O2 S'     149.211  
NDG 'D-saccharide, alpha linking' . 2-acetamido-2-deoxy-alpha-D-glucopyranose 
;N-acetyl-alpha-D-glucosamine; 2-acetamido-2-deoxy-alpha-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
;
'C8 H15 N O6'       221.208  
PHE 'L-peptide linking'           y PHENYLALANINE                             ? 'C9 H11 N O2'       165.189  
PRO 'L-peptide linking'           y PROLINE                                   ? 'C5 H9 N O2'        115.130  
SER 'L-peptide linking'           y SERINE                                    ? 'C3 H7 N O3'        105.093  
THR 'L-peptide linking'           y THREONINE                                 ? 'C4 H9 N O3'        119.119  
TRP 'L-peptide linking'           y TRYPTOPHAN                                ? 'C11 H12 N2 O2'     204.225  
TYR 'L-peptide linking'           y TYROSINE                                  ? 'C9 H11 N O3'       181.189  
VAL 'L-peptide linking'           y VALINE                                    ? 'C5 H11 N O2'       117.146  
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
NDG 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DGlcpNAca                      
NDG 'COMMON NAME'                         GMML     1.0 N-acetyl-a-D-glucopyranosamine 
NDG 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 a-D-GlcpNAc                    
NDG 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 GlcNAc                         
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1  MET 1  1  ?  ?   ?   A . n 
A 1 2  SER 2  2  2  SER SER A . n 
A 1 3  GLY 3  3  3  GLY GLY A . n 
A 1 4  PHE 4  4  4  PHE PHE A . n 
A 1 5  LYS 5  5  5  LYS LYS A . n 
A 1 6  PHE 6  6  6  PHE PHE A . n 
A 1 7  LEU 7  7  7  LEU LEU A . n 
A 1 8  PHE 8  8  8  PHE PHE A . n 
A 1 9  PHE 9  9  9  PHE PHE A . n 
A 1 10 SER 10 10 10 SER SER A . n 
A 1 11 PRO 11 11 11 PRO PRO A . n 
A 1 12 ASP 12 12 12 ASP ASP A . n 
A 1 13 GLY 13 13 13 GLY GLY A . n 
A 1 14 THR 14 14 14 THR THR A . n 
A 1 15 LEU 15 15 15 LEU LEU A . n 
A 1 16 TYR 16 16 16 TYR TYR A . n 
A 1 17 GLY 17 17 17 GLY GLY A . n 
A 1 18 VAL 18 18 18 VAL VAL A . n 
A 1 19 HIS 19 19 19 HIS HIS A . n 
A 1 20 ASN 20 20 20 ASN ASN A . n 
A 1 21 ASP 21 21 21 ASP ASP A . n 
A 1 22 LYS 22 22 22 LYS LYS A . n 
A 1 23 LEU 23 23 23 LEU LEU A . n 
A 1 24 TYR 24 24 24 TYR TYR A . n 
A 1 25 LYS 25 25 25 LYS LYS A . n 
A 1 26 GLY 26 26 26 GLY GLY A . n 
A 1 27 THR 27 27 27 THR THR A . n 
A 1 28 PRO 28 28 28 PRO PRO A . n 
A 1 29 PRO 29 29 29 PRO PRO A . n 
A 1 30 THR 30 30 30 THR THR A . n 
A 1 31 SER 31 31 31 SER SER A . n 
A 1 32 ASP 32 32 32 ASP ASP A . n 
A 1 33 LYS 33 33 33 LYS LYS A . n 
A 1 34 ASP 34 34 34 ASP ASP A . n 
A 1 35 ASN 35 35 35 ASN ASN A . n 
A 1 36 TRP 36 36 36 TRP TRP A . n 
A 1 37 LEU 37 37 37 LEU LEU A . n 
A 1 38 ALA 38 38 38 ALA ALA A . n 
A 1 39 ARG 39 39 39 ARG ARG A . n 
A 1 40 ALA 40 40 40 ALA ALA A . n 
A 1 41 THR 41 41 41 THR THR A . n 
A 1 42 LEU 42 42 42 LEU LEU A . n 
A 1 43 ILE 43 43 43 ILE ILE A . n 
A 1 44 GLY 44 44 44 GLY GLY A . n 
A 1 45 ASN 45 45 45 ASN ASN A . n 
A 1 46 GLY 46 46 46 GLY GLY A . n 
A 1 47 GLY 47 47 47 GLY GLY A . n 
A 1 48 TRP 48 48 48 TRP TRP A . n 
B 1 1  MET 1  1  ?  ?   ?   B . n 
B 1 2  SER 2  2  2  SER SER B . n 
B 1 3  GLY 3  3  3  GLY GLY B . n 
B 1 4  PHE 4  4  4  PHE PHE B . n 
B 1 5  LYS 5  5  5  LYS LYS B . n 
B 1 6  PHE 6  6  6  PHE PHE B . n 
B 1 7  LEU 7  7  7  LEU LEU B . n 
B 1 8  PHE 8  8  8  PHE PHE B . n 
B 1 9  PHE 9  9  9  PHE PHE B . n 
B 1 10 SER 10 10 10 SER SER B . n 
B 1 11 PRO 11 11 11 PRO PRO B . n 
B 1 12 ASP 12 12 12 ASP ASP B . n 
B 1 13 GLY 13 13 13 GLY GLY B . n 
B 1 14 THR 14 14 14 THR THR B . n 
B 1 15 LEU 15 15 15 LEU LEU B . n 
B 1 16 TYR 16 16 16 TYR TYR B . n 
B 1 17 GLY 17 17 17 GLY GLY B . n 
B 1 18 VAL 18 18 18 VAL VAL B . n 
B 1 19 HIS 19 19 19 HIS HIS B . n 
B 1 20 ASN 20 20 20 ASN ASN B . n 
B 1 21 ASP 21 21 21 ASP ASP B . n 
B 1 22 LYS 22 22 22 LYS LYS B . n 
B 1 23 LEU 23 23 23 LEU LEU B . n 
B 1 24 TYR 24 24 24 TYR TYR B . n 
B 1 25 LYS 25 25 25 LYS LYS B . n 
B 1 26 GLY 26 26 26 GLY GLY B . n 
B 1 27 THR 27 27 27 THR THR B . n 
B 1 28 PRO 28 28 28 PRO PRO B . n 
B 1 29 PRO 29 29 29 PRO PRO B . n 
B 1 30 THR 30 30 30 THR THR B . n 
B 1 31 SER 31 31 31 SER SER B . n 
B 1 32 ASP 32 32 32 ASP ASP B . n 
B 1 33 LYS 33 33 33 LYS LYS B . n 
B 1 34 ASP 34 34 34 ASP ASP B . n 
B 1 35 ASN 35 35 35 ASN ASN B . n 
B 1 36 TRP 36 36 36 TRP TRP B . n 
B 1 37 LEU 37 37 37 LEU LEU B . n 
B 1 38 ALA 38 38 38 ALA ALA B . n 
B 1 39 ARG 39 39 39 ARG ARG B . n 
B 1 40 ALA 40 40 40 ALA ALA B . n 
B 1 41 THR 41 41 41 THR THR B . n 
B 1 42 LEU 42 42 42 LEU LEU B . n 
B 1 43 ILE 43 43 43 ILE ILE B . n 
B 1 44 GLY 44 44 44 GLY GLY B . n 
B 1 45 ASN 45 45 45 ASN ASN B . n 
B 1 46 GLY 46 46 46 GLY GLY B . n 
B 1 47 GLY 47 47 47 GLY GLY B . n 
B 1 48 TRP 48 48 48 TRP TRP B . n 
C 1 1  MET 1  1  ?  ?   ?   E . n 
C 1 2  SER 2  2  2  SER SER E . n 
C 1 3  GLY 3  3  3  GLY GLY E . n 
C 1 4  PHE 4  4  4  PHE PHE E . n 
C 1 5  LYS 5  5  5  LYS LYS E . n 
C 1 6  PHE 6  6  6  PHE PHE E . n 
C 1 7  LEU 7  7  7  LEU LEU E . n 
C 1 8  PHE 8  8  8  PHE PHE E . n 
C 1 9  PHE 9  9  9  PHE PHE E . n 
C 1 10 SER 10 10 10 SER SER E . n 
C 1 11 PRO 11 11 11 PRO PRO E . n 
C 1 12 ASP 12 12 12 ASP ASP E . n 
C 1 13 GLY 13 13 13 GLY GLY E . n 
C 1 14 THR 14 14 14 THR THR E . n 
C 1 15 LEU 15 15 15 LEU LEU E . n 
C 1 16 TYR 16 16 16 TYR TYR E . n 
C 1 17 GLY 17 17 17 GLY GLY E . n 
C 1 18 VAL 18 18 18 VAL VAL E . n 
C 1 19 HIS 19 19 19 HIS HIS E . n 
C 1 20 ASN 20 20 20 ASN ASN E . n 
C 1 21 ASP 21 21 21 ASP ASP E . n 
C 1 22 LYS 22 22 22 LYS LYS E . n 
C 1 23 LEU 23 23 23 LEU LEU E . n 
C 1 24 TYR 24 24 24 TYR TYR E . n 
C 1 25 LYS 25 25 25 LYS LYS E . n 
C 1 26 GLY 26 26 26 GLY GLY E . n 
C 1 27 THR 27 27 27 THR THR E . n 
C 1 28 PRO 28 28 28 PRO PRO E . n 
C 1 29 PRO 29 29 29 PRO PRO E . n 
C 1 30 THR 30 30 30 THR THR E . n 
C 1 31 SER 31 31 31 SER SER E . n 
C 1 32 ASP 32 32 32 ASP ASP E . n 
C 1 33 LYS 33 33 33 LYS LYS E . n 
C 1 34 ASP 34 34 34 ASP ASP E . n 
C 1 35 ASN 35 35 35 ASN ASN E . n 
C 1 36 TRP 36 36 36 TRP TRP E . n 
C 1 37 LEU 37 37 37 LEU LEU E . n 
C 1 38 ALA 38 38 38 ALA ALA E . n 
C 1 39 ARG 39 39 39 ARG ARG E . n 
C 1 40 ALA 40 40 40 ALA ALA E . n 
C 1 41 THR 41 41 41 THR THR E . n 
C 1 42 LEU 42 42 42 LEU LEU E . n 
C 1 43 ILE 43 43 43 ILE ILE E . n 
C 1 44 GLY 44 44 44 GLY GLY E . n 
C 1 45 ASN 45 45 45 ASN ASN E . n 
C 1 46 GLY 46 46 46 GLY GLY E . n 
C 1 47 GLY 47 47 47 GLY GLY E . n 
C 1 48 TRP 48 48 48 TRP TRP E . n 
D 1 1  MET 1  1  1  MET MET D . n 
D 1 2  SER 2  2  2  SER SER D . n 
D 1 3  GLY 3  3  3  GLY GLY D . n 
D 1 4  PHE 4  4  4  PHE PHE D . n 
D 1 5  LYS 5  5  5  LYS LYS D . n 
D 1 6  PHE 6  6  6  PHE PHE D . n 
D 1 7  LEU 7  7  7  LEU LEU D . n 
D 1 8  PHE 8  8  8  PHE PHE D . n 
D 1 9  PHE 9  9  9  PHE PHE D . n 
D 1 10 SER 10 10 10 SER SER D . n 
D 1 11 PRO 11 11 11 PRO PRO D . n 
D 1 12 ASP 12 12 12 ASP ASP D . n 
D 1 13 GLY 13 13 13 GLY GLY D . n 
D 1 14 THR 14 14 14 THR THR D . n 
D 1 15 LEU 15 15 15 LEU LEU D . n 
D 1 16 TYR 16 16 16 TYR TYR D . n 
D 1 17 GLY 17 17 17 GLY GLY D . n 
D 1 18 VAL 18 18 18 VAL VAL D . n 
D 1 19 HIS 19 19 19 HIS HIS D . n 
D 1 20 ASN 20 20 20 ASN ASN D . n 
D 1 21 ASP 21 21 21 ASP ASP D . n 
D 1 22 LYS 22 22 22 LYS LYS D . n 
D 1 23 LEU 23 23 23 LEU LEU D . n 
D 1 24 TYR 24 24 24 TYR TYR D . n 
D 1 25 LYS 25 25 25 LYS LYS D . n 
D 1 26 GLY 26 26 26 GLY GLY D . n 
D 1 27 THR 27 27 27 THR THR D . n 
D 1 28 PRO 28 28 28 PRO PRO D . n 
D 1 29 PRO 29 29 29 PRO PRO D . n 
D 1 30 THR 30 30 30 THR THR D . n 
D 1 31 SER 31 31 31 SER SER D . n 
D 1 32 ASP 32 32 32 ASP ASP D . n 
D 1 33 LYS 33 33 33 LYS LYS D . n 
D 1 34 ASP 34 34 34 ASP ASP D . n 
D 1 35 ASN 35 35 35 ASN ASN D . n 
D 1 36 TRP 36 36 36 TRP TRP D . n 
D 1 37 LEU 37 37 37 LEU LEU D . n 
D 1 38 ALA 38 38 38 ALA ALA D . n 
D 1 39 ARG 39 39 39 ARG ARG D . n 
D 1 40 ALA 40 40 40 ALA ALA D . n 
D 1 41 THR 41 41 41 THR THR D . n 
D 1 42 LEU 42 42 42 LEU LEU D . n 
D 1 43 ILE 43 43 43 ILE ILE D . n 
D 1 44 GLY 44 44 44 GLY GLY D . n 
D 1 45 ASN 45 45 45 ASN ASN D . n 
D 1 46 GLY 46 46 46 GLY GLY D . n 
D 1 47 GLY 47 47 47 GLY GLY D . n 
D 1 48 TRP 48 48 48 TRP TRP D . n 
E 1 1  MET 1  1  ?  ?   ?   C . n 
E 1 2  SER 2  2  2  SER SER C . n 
E 1 3  GLY 3  3  3  GLY GLY C . n 
E 1 4  PHE 4  4  4  PHE PHE C . n 
E 1 5  LYS 5  5  5  LYS LYS C . n 
E 1 6  PHE 6  6  6  PHE PHE C . n 
E 1 7  LEU 7  7  7  LEU LEU C . n 
E 1 8  PHE 8  8  8  PHE PHE C . n 
E 1 9  PHE 9  9  9  PHE PHE C . n 
E 1 10 SER 10 10 10 SER SER C . n 
E 1 11 PRO 11 11 11 PRO PRO C . n 
E 1 12 ASP 12 12 12 ASP ASP C . n 
E 1 13 GLY 13 13 13 GLY GLY C . n 
E 1 14 THR 14 14 14 THR THR C . n 
E 1 15 LEU 15 15 15 LEU LEU C . n 
E 1 16 TYR 16 16 16 TYR TYR C . n 
E 1 17 GLY 17 17 17 GLY GLY C . n 
E 1 18 VAL 18 18 18 VAL VAL C . n 
E 1 19 HIS 19 19 19 HIS HIS C . n 
E 1 20 ASN 20 20 20 ASN ASN C . n 
E 1 21 ASP 21 21 21 ASP ASP C . n 
E 1 22 LYS 22 22 22 LYS LYS C . n 
E 1 23 LEU 23 23 23 LEU LEU C . n 
E 1 24 TYR 24 24 24 TYR TYR C . n 
E 1 25 LYS 25 25 25 LYS LYS C . n 
E 1 26 GLY 26 26 26 GLY GLY C . n 
E 1 27 THR 27 27 27 THR THR C . n 
E 1 28 PRO 28 28 28 PRO PRO C . n 
E 1 29 PRO 29 29 29 PRO PRO C . n 
E 1 30 THR 30 30 30 THR THR C . n 
E 1 31 SER 31 31 31 SER SER C . n 
E 1 32 ASP 32 32 32 ASP ASP C . n 
E 1 33 LYS 33 33 33 LYS LYS C . n 
E 1 34 ASP 34 34 34 ASP ASP C . n 
E 1 35 ASN 35 35 35 ASN ASN C . n 
E 1 36 TRP 36 36 36 TRP TRP C . n 
E 1 37 LEU 37 37 37 LEU LEU C . n 
E 1 38 ALA 38 38 38 ALA ALA C . n 
E 1 39 ARG 39 39 39 ARG ARG C . n 
E 1 40 ALA 40 40 40 ALA ALA C . n 
E 1 41 THR 41 41 41 THR THR C . n 
E 1 42 LEU 42 42 42 LEU LEU C . n 
E 1 43 ILE 43 43 43 ILE ILE C . n 
E 1 44 GLY 44 44 44 GLY GLY C . n 
E 1 45 ASN 45 45 45 ASN ASN C . n 
E 1 46 GLY 46 46 46 GLY GLY C . n 
E 1 47 GLY 47 47 47 GLY GLY C . n 
E 1 48 TRP 48 48 48 TRP TRP C . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        FWQ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   FWQ 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
F 2 NDG 1  101 101 NDG NDG A . 
G 2 NDG 1  101 101 NDG NDG B . 
H 3 FWQ 1  101 102 FWQ FWQ E . 
I 2 NDG 1  101 101 NDG NDG D . 
J 3 FWQ 1  102 201 FWQ FWQ D . 
K 3 FWQ 1  103 301 FWQ FWQ D . 
L 3 FWQ 1  104 302 FWQ FWQ D . 
M 2 NDG 1  101 101 NDG NDG C . 
N 4 HOH 1  201 114 HOH HOH A . 
N 4 HOH 2  202 77  HOH HOH A . 
N 4 HOH 3  203 10  HOH HOH A . 
N 4 HOH 4  204 26  HOH HOH A . 
N 4 HOH 5  205 85  HOH HOH A . 
N 4 HOH 6  206 112 HOH HOH A . 
N 4 HOH 7  207 75  HOH HOH A . 
N 4 HOH 8  208 11  HOH HOH A . 
N 4 HOH 9  209 104 HOH HOH A . 
N 4 HOH 10 210 56  HOH HOH A . 
N 4 HOH 11 211 86  HOH HOH A . 
N 4 HOH 12 212 64  HOH HOH A . 
N 4 HOH 13 213 61  HOH HOH A . 
N 4 HOH 14 214 127 HOH HOH A . 
N 4 HOH 15 215 74  HOH HOH A . 
N 4 HOH 16 216 59  HOH HOH A . 
N 4 HOH 17 217 22  HOH HOH A . 
N 4 HOH 18 218 53  HOH HOH A . 
N 4 HOH 19 219 38  HOH HOH A . 
N 4 HOH 20 220 23  HOH HOH A . 
N 4 HOH 21 221 87  HOH HOH A . 
N 4 HOH 22 222 8   HOH HOH A . 
N 4 HOH 23 223 130 HOH HOH A . 
N 4 HOH 24 224 9   HOH HOH A . 
O 4 HOH 1  201 115 HOH HOH B . 
O 4 HOH 2  202 16  HOH HOH B . 
O 4 HOH 3  203 100 HOH HOH B . 
O 4 HOH 4  204 108 HOH HOH B . 
O 4 HOH 5  205 42  HOH HOH B . 
O 4 HOH 6  206 95  HOH HOH B . 
O 4 HOH 7  207 110 HOH HOH B . 
O 4 HOH 8  208 69  HOH HOH B . 
O 4 HOH 9  209 125 HOH HOH B . 
O 4 HOH 10 210 97  HOH HOH B . 
O 4 HOH 11 211 83  HOH HOH B . 
O 4 HOH 12 212 105 HOH HOH B . 
O 4 HOH 13 213 120 HOH HOH B . 
O 4 HOH 14 214 62  HOH HOH B . 
O 4 HOH 15 215 51  HOH HOH B . 
O 4 HOH 16 216 25  HOH HOH B . 
O 4 HOH 17 217 15  HOH HOH B . 
O 4 HOH 18 218 132 HOH HOH B . 
O 4 HOH 19 219 2   HOH HOH B . 
O 4 HOH 20 220 122 HOH HOH B . 
O 4 HOH 21 221 5   HOH HOH B . 
P 4 HOH 1  201 80  HOH HOH E . 
P 4 HOH 2  202 84  HOH HOH E . 
P 4 HOH 3  203 20  HOH HOH E . 
P 4 HOH 4  204 92  HOH HOH E . 
P 4 HOH 5  205 133 HOH HOH E . 
P 4 HOH 6  206 57  HOH HOH E . 
P 4 HOH 7  207 102 HOH HOH E . 
P 4 HOH 8  208 39  HOH HOH E . 
P 4 HOH 9  209 98  HOH HOH E . 
P 4 HOH 10 210 96  HOH HOH E . 
P 4 HOH 11 211 58  HOH HOH E . 
P 4 HOH 12 212 79  HOH HOH E . 
P 4 HOH 13 213 45  HOH HOH E . 
P 4 HOH 14 214 60  HOH HOH E . 
P 4 HOH 15 215 47  HOH HOH E . 
P 4 HOH 16 216 37  HOH HOH E . 
P 4 HOH 17 217 123 HOH HOH E . 
P 4 HOH 18 218 29  HOH HOH E . 
P 4 HOH 19 219 106 HOH HOH E . 
P 4 HOH 20 220 1   HOH HOH E . 
P 4 HOH 21 221 18  HOH HOH E . 
P 4 HOH 22 222 19  HOH HOH E . 
P 4 HOH 23 223 24  HOH HOH E . 
P 4 HOH 24 224 34  HOH HOH E . 
Q 4 HOH 1  201 82  HOH HOH D . 
Q 4 HOH 2  202 78  HOH HOH D . 
Q 4 HOH 3  203 109 HOH HOH D . 
Q 4 HOH 4  204 93  HOH HOH D . 
Q 4 HOH 5  205 72  HOH HOH D . 
Q 4 HOH 6  206 99  HOH HOH D . 
Q 4 HOH 7  207 63  HOH HOH D . 
Q 4 HOH 8  208 124 HOH HOH D . 
Q 4 HOH 9  209 35  HOH HOH D . 
Q 4 HOH 10 210 103 HOH HOH D . 
Q 4 HOH 11 211 31  HOH HOH D . 
Q 4 HOH 12 212 27  HOH HOH D . 
Q 4 HOH 13 213 116 HOH HOH D . 
Q 4 HOH 14 214 66  HOH HOH D . 
Q 4 HOH 15 215 3   HOH HOH D . 
Q 4 HOH 16 216 49  HOH HOH D . 
Q 4 HOH 17 217 81  HOH HOH D . 
Q 4 HOH 18 218 40  HOH HOH D . 
Q 4 HOH 19 219 90  HOH HOH D . 
Q 4 HOH 20 220 30  HOH HOH D . 
Q 4 HOH 21 221 113 HOH HOH D . 
Q 4 HOH 22 222 55  HOH HOH D . 
Q 4 HOH 23 223 36  HOH HOH D . 
Q 4 HOH 24 224 33  HOH HOH D . 
Q 4 HOH 25 225 41  HOH HOH D . 
Q 4 HOH 26 226 54  HOH HOH D . 
Q 4 HOH 27 227 91  HOH HOH D . 
Q 4 HOH 28 228 70  HOH HOH D . 
Q 4 HOH 29 229 118 HOH HOH D . 
Q 4 HOH 30 230 21  HOH HOH D . 
Q 4 HOH 31 231 76  HOH HOH D . 
Q 4 HOH 32 232 88  HOH HOH D . 
Q 4 HOH 33 233 13  HOH HOH D . 
Q 4 HOH 34 234 89  HOH HOH D . 
Q 4 HOH 35 235 73  HOH HOH D . 
Q 4 HOH 36 236 119 HOH HOH D . 
Q 4 HOH 37 237 4   HOH HOH D . 
Q 4 HOH 38 238 7   HOH HOH D . 
Q 4 HOH 39 239 134 HOH HOH D . 
R 4 HOH 1  201 48  HOH HOH C . 
R 4 HOH 2  202 32  HOH HOH C . 
R 4 HOH 3  203 52  HOH HOH C . 
R 4 HOH 4  204 6   HOH HOH C . 
R 4 HOH 5  205 46  HOH HOH C . 
R 4 HOH 6  206 111 HOH HOH C . 
R 4 HOH 7  207 68  HOH HOH C . 
R 4 HOH 8  208 94  HOH HOH C . 
R 4 HOH 9  209 117 HOH HOH C . 
R 4 HOH 10 210 101 HOH HOH C . 
R 4 HOH 11 211 71  HOH HOH C . 
R 4 HOH 12 212 44  HOH HOH C . 
R 4 HOH 13 213 126 HOH HOH C . 
R 4 HOH 14 214 121 HOH HOH C . 
R 4 HOH 15 215 129 HOH HOH C . 
R 4 HOH 16 216 67  HOH HOH C . 
R 4 HOH 17 217 65  HOH HOH C . 
R 4 HOH 18 218 50  HOH HOH C . 
R 4 HOH 19 219 43  HOH HOH C . 
R 4 HOH 20 220 128 HOH HOH C . 
R 4 HOH 21 221 28  HOH HOH C . 
R 4 HOH 22 222 131 HOH HOH C . 
R 4 HOH 23 223 14  HOH HOH C . 
R 4 HOH 24 224 107 HOH HOH C . 
R 4 HOH 25 225 12  HOH HOH C . 
R 4 HOH 26 226 135 HOH HOH C . 
R 4 HOH 27 227 17  HOH HOH C . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 0 A LYS 22 ? CE ? A LYS 22 CE 
2  1 Y 0 A LYS 22 ? NZ ? A LYS 22 NZ 
3  1 Y 0 A LYS 33 ? CD ? A LYS 33 CD 
4  1 Y 0 A LYS 33 ? CE ? A LYS 33 CE 
5  1 Y 0 A LYS 33 ? NZ ? A LYS 33 NZ 
6  1 Y 0 B LYS 33 ? CD ? B LYS 33 CD 
7  1 Y 0 B LYS 33 ? CE ? B LYS 33 CE 
8  1 Y 0 B LYS 33 ? NZ ? B LYS 33 NZ 
9  1 Y 0 E LYS 33 ? CG ? C LYS 33 CG 
10 1 Y 0 E LYS 33 ? CD ? C LYS 33 CD 
11 1 Y 0 E LYS 33 ? CE ? C LYS 33 CE 
12 1 Y 0 E LYS 33 ? NZ ? C LYS 33 NZ 
13 1 Y 0 D LYS 33 ? CG ? D LYS 33 CG 
14 1 Y 0 D LYS 33 ? CD ? D LYS 33 CD 
15 1 Y 0 D LYS 33 ? CE ? D LYS 33 CE 
16 1 Y 0 D LYS 33 ? NZ ? D LYS 33 NZ 
17 1 Y 0 C LYS 33 ? CD ? E LYS 33 CD 
18 1 Y 0 C LYS 33 ? CE ? E LYS 33 CE 
19 1 Y 0 C LYS 33 ? NZ ? E LYS 33 NZ 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .           1 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.20.1_4487 2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .           3 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9FRO 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     55.570 
_cell.length_a_esd                 ? 
_cell.length_b                     92.689 
_cell.length_b_esd                 ? 
_cell.length_c                     112.376 
_cell.length_c_esd                 ? 
_cell.volume                       578818.179 
_cell.volume_esd                   ? 
_cell.Z_PDB                        40 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9FRO 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                20 
_symmetry.space_group_name_Hall            'C 2c 2' 
_symmetry.space_group_name_H-M             'C 2 2 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_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                   9FRO 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.78 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          55 
_exptl_crystal.description                  bipyramidal 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.0 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;1.2 M ammonium sulfate
0.1 M sodium malonate; pH 7.0
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-03-25 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.98011 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SOLEIL BEAMLINE PROXIMA 2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.98011 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   'PROXIMA 2' 
_diffrn_source.pdbx_synchrotron_site       SOLEIL 
# 
_reflns.B_iso_Wilson_estimate                          21.84 
_reflns.entry_id                                       9FRO 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.71 
_reflns.d_resolution_low                               56.19 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     31640 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                12.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          12.4 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.129 
_reflns.pdbx_Rpim_I_all                                0.037 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.998 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.123 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.712 
_reflns_shell.d_res_low                                     1.742 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.1 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1593 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               1.505 
_reflns_shell.pdbx_Rpim_I_all                               0.439 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.779 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.438 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               27.78 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9FRO 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.71 
_refine.ls_d_res_low                             56.19 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     31622 
_refine.ls_number_reflns_R_free                  1541 
_refine.ls_number_reflns_R_work                  30081 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.93 
_refine.ls_percent_reflns_R_free                 4.87 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1910 
_refine.ls_R_factor_R_free                       0.2157 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1897 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.36 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 23.0286 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.2117 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.71 
_refine_hist.d_res_low                        56.19 
_refine_hist.number_atoms_solvent             135 
_refine_hist.number_atoms_total               2341 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1858 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         348 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0055 ? 2295 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.7748 ? 3198 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0529 ? 276  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0052 ? 580  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 8.5562 ? 507  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.71 1.77  . . 159 2669 99.96  . . . . 0.2919 . . . . . . . . . . . 0.3205 
'X-RAY DIFFRACTION' 1.77 1.83  . . 136 2703 99.93  . . . . 0.2224 . . . . . . . . . . . 0.2682 
'X-RAY DIFFRACTION' 1.83 1.90  . . 141 2709 100.00 . . . . 0.1969 . . . . . . . . . . . 0.2400 
'X-RAY DIFFRACTION' 1.90 1.99  . . 142 2711 99.93  . . . . 0.1923 . . . . . . . . . . . 0.2467 
'X-RAY DIFFRACTION' 1.99 2.10  . . 134 2686 99.82  . . . . 0.1848 . . . . . . . . . . . 0.2186 
'X-RAY DIFFRACTION' 2.10 2.23  . . 142 2730 99.93  . . . . 0.1831 . . . . . . . . . . . 0.2006 
'X-RAY DIFFRACTION' 2.23 2.40  . . 128 2725 99.93  . . . . 0.1852 . . . . . . . . . . . 0.2418 
'X-RAY DIFFRACTION' 2.40 2.64  . . 117 2750 99.93  . . . . 0.2103 . . . . . . . . . . . 0.2565 
'X-RAY DIFFRACTION' 2.64 3.02  . . 127 2762 99.97  . . . . 0.2188 . . . . . . . . . . . 0.2384 
'X-RAY DIFFRACTION' 3.02 3.81  . . 159 2762 99.97  . . . . 0.1772 . . . . . . . . . . . 0.1927 
'X-RAY DIFFRACTION' 3.81 56.19 . . 156 2874 99.84  . . . . 0.1697 . . . . . . . . . . . 0.1900 
# 
_struct.entry_id                     9FRO 
_struct.title                        'Crystal structure of Pent - p-sulfonatocalix[6]arene complex' 
_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        9FRO 
_struct_keywords.text            'Complex, Beta-propeller, Lectin, Pentamer, SUGAR BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'SUGAR BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 1 ? 
C N N 1 ? 
D N N 1 ? 
E N N 1 ? 
F N N 2 ? 
G N N 2 ? 
H N N 3 ? 
I N N 2 ? 
J N N 3 ? 
K N N 3 ? 
L N N 3 ? 
M N N 2 ? 
N N N 4 ? 
O N N 4 ? 
P N N 4 ? 
Q N N 4 ? 
R N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    A0A140UHM9_9VIRU 
_struct_ref.pdbx_db_accession          A0A140UHM9 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   MSGFKFLFFSPDGTLYGVHNDKLYKGTPPTSDNDNWLARATLIGNGGW 
_struct_ref.pdbx_align_begin           1 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 9FRO A 1 ? 48 ? A0A140UHM9 1 ? 48 ? 1 48 
2 1 9FRO B 1 ? 48 ? A0A140UHM9 1 ? 48 ? 1 48 
3 1 9FRO E 1 ? 48 ? A0A140UHM9 1 ? 48 ? 1 48 
4 1 9FRO D 1 ? 48 ? A0A140UHM9 1 ? 48 ? 1 48 
5 1 9FRO C 1 ? 48 ? A0A140UHM9 1 ? 48 ? 1 48 
# 
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 9FRO LYS A 33 ? UNP A0A140UHM9 ASN 33 conflict 33 1 
2 9FRO LYS B 33 ? UNP A0A140UHM9 ASN 33 conflict 33 2 
3 9FRO LYS E 33 ? UNP A0A140UHM9 ASN 33 conflict 33 3 
4 9FRO LYS D 33 ? UNP A0A140UHM9 ASN 33 conflict 33 4 
5 9FRO LYS C 33 ? UNP A0A140UHM9 ASN 33 conflict 33 5 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   pentameric 
_pdbx_struct_assembly.oligomeric_count     5 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ASN A 35 ? ALA A 40 ? ASN A 35 ALA A 40 1 ? 6 
HELX_P HELX_P2 AA2 ASN B 35 ? ALA B 40 ? ASN B 35 ALA B 40 1 ? 6 
HELX_P HELX_P3 AA3 ASN C 35 ? ALA C 40 ? ASN E 35 ALA E 40 1 ? 6 
HELX_P HELX_P4 AA4 ASN D 35 ? ALA D 40 ? ASN D 35 ALA D 40 1 ? 6 
HELX_P HELX_P5 AA5 ASN E 35 ? ALA E 40 ? ASN C 35 ALA C 40 1 ? 6 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 4 ? 
AA2 ? 4 ? 
AA3 ? 4 ? 
AA4 ? 4 ? 
AA5 ? 4 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA5 1 2 ? anti-parallel 
AA5 2 3 ? anti-parallel 
AA5 3 4 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 PHE A 4  ? PHE A 9  ? PHE A 4  PHE A 9  
AA1 2 LEU A 15 ? HIS A 19 ? LEU A 15 HIS A 19 
AA1 3 LYS A 22 ? GLY A 26 ? LYS A 22 GLY A 26 
AA1 4 THR A 41 ? GLY A 44 ? THR A 41 GLY A 44 
AA2 1 PHE B 6  ? PHE B 9  ? PHE B 6  PHE B 9  
AA2 2 LEU B 15 ? HIS B 19 ? LEU B 15 HIS B 19 
AA2 3 LYS B 22 ? GLY B 26 ? LYS B 22 GLY B 26 
AA2 4 THR B 41 ? ASN B 45 ? THR B 41 ASN B 45 
AA3 1 PHE C 4  ? PHE C 9  ? PHE E 4  PHE E 9  
AA3 2 LEU C 15 ? HIS C 19 ? LEU E 15 HIS E 19 
AA3 3 LYS C 22 ? GLY C 26 ? LYS E 22 GLY E 26 
AA3 4 THR C 41 ? ASN C 45 ? THR E 41 ASN E 45 
AA4 1 PHE D 6  ? PHE D 9  ? PHE D 6  PHE D 9  
AA4 2 LEU D 15 ? HIS D 19 ? LEU D 15 HIS D 19 
AA4 3 LYS D 22 ? GLY D 26 ? LYS D 22 GLY D 26 
AA4 4 THR D 41 ? ASN D 45 ? THR D 41 ASN D 45 
AA5 1 PHE E 6  ? PHE E 9  ? PHE C 6  PHE C 9  
AA5 2 LEU E 15 ? HIS E 19 ? LEU C 15 HIS C 19 
AA5 3 LYS E 22 ? GLY E 26 ? LYS C 22 GLY C 26 
AA5 4 THR E 41 ? ASN E 45 ? THR C 41 ASN C 45 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N PHE A 8  ? N PHE A 8  O TYR A 16 ? O TYR A 16 
AA1 2 3 N GLY A 17 ? N GLY A 17 O TYR A 24 ? O TYR A 24 
AA1 3 4 N LYS A 25 ? N LYS A 25 O THR A 41 ? O THR A 41 
AA2 1 2 N PHE B 8  ? N PHE B 8  O TYR B 16 ? O TYR B 16 
AA2 2 3 N GLY B 17 ? N GLY B 17 O TYR B 24 ? O TYR B 24 
AA2 3 4 N LYS B 25 ? N LYS B 25 O THR B 41 ? O THR B 41 
AA3 1 2 N PHE C 8  ? N PHE E 8  O TYR C 16 ? O TYR E 16 
AA3 2 3 N GLY C 17 ? N GLY E 17 O TYR C 24 ? O TYR E 24 
AA3 3 4 N LYS C 25 ? N LYS E 25 O THR C 41 ? O THR E 41 
AA4 1 2 N PHE D 8  ? N PHE D 8  O TYR D 16 ? O TYR D 16 
AA4 2 3 N GLY D 17 ? N GLY D 17 O TYR D 24 ? O TYR D 24 
AA4 3 4 N LYS D 25 ? N LYS D 25 O THR D 41 ? O THR D 41 
AA5 1 2 N PHE E 8  ? N PHE C 8  O TYR E 16 ? O TYR C 16 
AA5 2 3 N GLY E 17 ? N GLY C 17 O TYR E 24 ? O TYR C 24 
AA5 3 4 N LYS E 25 ? N LYS C 25 O THR E 41 ? O THR C 41 
# 
_pdbx_entry_details.entry_id                   9FRO 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    D 
_pdbx_struct_special_symmetry.auth_comp_id    FWQ 
_pdbx_struct_special_symmetry.auth_seq_id     104 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   L 
_pdbx_struct_special_symmetry.label_comp_id   FWQ 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z               
2 x,-y,-z             
3 -x,y,-z+1/2         
4 -x,-y,z+1/2         
5 x+1/2,y+1/2,z       
6 x+1/2,-y+1/2,-z     
7 -x+1/2,y+1/2,-z+1/2 
8 -x+1/2,-y+1/2,z+1/2 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A MET 1 ? A MET 1 
2 1 Y 0 A SER 2 ? A SER 2 
3 1 Y 1 B MET 1 ? B MET 1 
4 1 Y 0 B SER 2 ? B SER 2 
5 1 Y 1 E MET 1 ? C MET 1 
6 1 Y 0 E SER 2 ? C SER 2 
7 1 Y 1 C MET 1 ? E MET 1 
8 1 Y 0 C SER 2 ? E SER 2 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
FWQ C1   C Y N 74  
FWQ C2   C Y N 75  
FWQ C3   C Y N 76  
FWQ C4   C Y N 77  
FWQ C5   C Y N 78  
FWQ C6   C Y N 79  
FWQ C7   C N N 80  
FWQ C8   C Y N 81  
FWQ C9   C Y N 82  
FWQ C10  C Y N 83  
FWQ C11  C Y N 84  
FWQ C12  C Y N 85  
FWQ C14  C N N 86  
FWQ C15  C N N 87  
FWQ C16  C Y N 88  
FWQ C17  C Y N 89  
FWQ C19  C Y N 90  
FWQ C21  C Y N 91  
FWQ C18  C Y N 92  
FWQ C20  C Y N 93  
FWQ C36  C Y N 94  
FWQ C37  C Y N 95  
FWQ C13  C Y N 96  
FWQ C29  C N N 97  
FWQ C38  C Y N 98  
FWQ C39  C Y N 99  
FWQ C40  C Y N 100 
FWQ C41  C Y N 101 
FWQ C43  C N N 102 
FWQ C44  C Y N 103 
FWQ C45  C Y N 104 
FWQ C46  C Y N 105 
FWQ C47  C Y N 106 
FWQ C48  C Y N 107 
FWQ C49  C Y N 108 
FWQ C50  C Y N 109 
FWQ C51  C Y N 110 
FWQ C52  C Y N 111 
FWQ C53  C Y N 112 
FWQ C54  C Y N 113 
FWQ C55  C Y N 114 
FWQ O1   O N N 115 
FWQ O2   O N N 116 
FWQ O3   O N N 117 
FWQ O4   O N N 118 
FWQ O5   O N N 119 
FWQ O6   O N N 120 
FWQ S64  S N N 121 
FWQ S67  S N N 122 
FWQ S68  S N N 123 
FWQ S69  S N N 124 
FWQ S70  S N N 125 
FWQ S71  S N N 126 
FWQ C72  C N N 127 
FWQ O7   O N N 128 
FWQ O8   O N N 129 
FWQ O9   O N N 130 
FWQ O10  O N N 131 
FWQ O11  O N N 132 
FWQ O12  O N N 133 
FWQ O13  O N N 134 
FWQ O14  O N N 135 
FWQ O15  O N N 136 
FWQ O16  O N N 137 
FWQ O17  O N N 138 
FWQ O18  O N N 139 
FWQ O19  O N N 140 
FWQ O20  O N N 141 
FWQ O21  O N N 142 
FWQ O22  O N N 143 
FWQ O23  O N N 144 
FWQ O24  O N N 145 
FWQ H1   H N N 146 
FWQ H2   H N N 147 
FWQ H3   H N N 148 
FWQ H4   H N N 149 
FWQ H5   H N N 150 
FWQ H6   H N N 151 
FWQ H7   H N N 152 
FWQ H8   H N N 153 
FWQ H9   H N N 154 
FWQ H10  H N N 155 
FWQ H11  H N N 156 
FWQ H12  H N N 157 
FWQ H13  H N N 158 
FWQ H14  H N N 159 
FWQ H15  H N N 160 
FWQ H16  H N N 161 
FWQ H17  H N N 162 
FWQ H18  H N N 163 
FWQ H19  H N N 164 
FWQ H20  H N N 165 
FWQ H21  H N N 166 
FWQ H22  H N N 167 
FWQ H23  H N N 168 
FWQ H24  H N N 169 
FWQ H25  H N N 170 
FWQ H26  H N N 171 
FWQ H27  H N N 172 
FWQ H28  H N N 173 
FWQ H29  H N N 174 
FWQ H30  H N N 175 
GLY N    N N N 176 
GLY CA   C N N 177 
GLY C    C N N 178 
GLY O    O N N 179 
GLY OXT  O N N 180 
GLY H    H N N 181 
GLY H2   H N N 182 
GLY HA2  H N N 183 
GLY HA3  H N N 184 
GLY HXT  H N N 185 
HIS N    N N N 186 
HIS CA   C N S 187 
HIS C    C N N 188 
HIS O    O N N 189 
HIS CB   C N N 190 
HIS CG   C Y N 191 
HIS ND1  N Y N 192 
HIS CD2  C Y N 193 
HIS CE1  C Y N 194 
HIS NE2  N Y N 195 
HIS OXT  O N N 196 
HIS H    H N N 197 
HIS H2   H N N 198 
HIS HA   H N N 199 
HIS HB2  H N N 200 
HIS HB3  H N N 201 
HIS HD1  H N N 202 
HIS HD2  H N N 203 
HIS HE1  H N N 204 
HIS HE2  H N N 205 
HIS HXT  H N N 206 
HOH O    O N N 207 
HOH H1   H N N 208 
HOH H2   H N N 209 
ILE N    N N N 210 
ILE CA   C N S 211 
ILE C    C N N 212 
ILE O    O N N 213 
ILE CB   C N S 214 
ILE CG1  C N N 215 
ILE CG2  C N N 216 
ILE CD1  C N N 217 
ILE OXT  O N N 218 
ILE H    H N N 219 
ILE H2   H N N 220 
ILE HA   H N N 221 
ILE HB   H N N 222 
ILE HG12 H N N 223 
ILE HG13 H N N 224 
ILE HG21 H N N 225 
ILE HG22 H N N 226 
ILE HG23 H N N 227 
ILE HD11 H N N 228 
ILE HD12 H N N 229 
ILE HD13 H N N 230 
ILE HXT  H N N 231 
LEU N    N N N 232 
LEU CA   C N S 233 
LEU C    C N N 234 
LEU O    O N N 235 
LEU CB   C N N 236 
LEU CG   C N N 237 
LEU CD1  C N N 238 
LEU CD2  C N N 239 
LEU OXT  O N N 240 
LEU H    H N N 241 
LEU H2   H N N 242 
LEU HA   H N N 243 
LEU HB2  H N N 244 
LEU HB3  H N N 245 
LEU HG   H N N 246 
LEU HD11 H N N 247 
LEU HD12 H N N 248 
LEU HD13 H N N 249 
LEU HD21 H N N 250 
LEU HD22 H N N 251 
LEU HD23 H N N 252 
LEU HXT  H N N 253 
LYS N    N N N 254 
LYS CA   C N S 255 
LYS C    C N N 256 
LYS O    O N N 257 
LYS CB   C N N 258 
LYS CG   C N N 259 
LYS CD   C N N 260 
LYS CE   C N N 261 
LYS NZ   N N N 262 
LYS OXT  O N N 263 
LYS H    H N N 264 
LYS H2   H N N 265 
LYS HA   H N N 266 
LYS HB2  H N N 267 
LYS HB3  H N N 268 
LYS HG2  H N N 269 
LYS HG3  H N N 270 
LYS HD2  H N N 271 
LYS HD3  H N N 272 
LYS HE2  H N N 273 
LYS HE3  H N N 274 
LYS HZ1  H N N 275 
LYS HZ2  H N N 276 
LYS HZ3  H N N 277 
LYS HXT  H N N 278 
MET N    N N N 279 
MET CA   C N S 280 
MET C    C N N 281 
MET O    O N N 282 
MET CB   C N N 283 
MET CG   C N N 284 
MET SD   S N N 285 
MET CE   C N N 286 
MET OXT  O N N 287 
MET H    H N N 288 
MET H2   H N N 289 
MET HA   H N N 290 
MET HB2  H N N 291 
MET HB3  H N N 292 
MET HG2  H N N 293 
MET HG3  H N N 294 
MET HE1  H N N 295 
MET HE2  H N N 296 
MET HE3  H N N 297 
MET HXT  H N N 298 
NDG C1   C N S 299 
NDG C2   C N R 300 
NDG C3   C N R 301 
NDG C4   C N S 302 
NDG C5   C N R 303 
NDG C6   C N N 304 
NDG C7   C N N 305 
NDG C8   C N N 306 
NDG O5   O N N 307 
NDG O3   O N N 308 
NDG O4   O N N 309 
NDG O6   O N N 310 
NDG O7   O N N 311 
NDG N2   N N N 312 
NDG O1   O N N 313 
NDG H1   H N N 314 
NDG H2   H N N 315 
NDG H3   H N N 316 
NDG H4   H N N 317 
NDG H5   H N N 318 
NDG H61  H N N 319 
NDG H62  H N N 320 
NDG H81  H N N 321 
NDG H82  H N N 322 
NDG H83  H N N 323 
NDG HO3  H N N 324 
NDG HO4  H N N 325 
NDG HO6  H N N 326 
NDG HN2  H N N 327 
NDG HO1  H N N 328 
PHE N    N N N 329 
PHE CA   C N S 330 
PHE C    C N N 331 
PHE O    O N N 332 
PHE CB   C N N 333 
PHE CG   C Y N 334 
PHE CD1  C Y N 335 
PHE CD2  C Y N 336 
PHE CE1  C Y N 337 
PHE CE2  C Y N 338 
PHE CZ   C Y N 339 
PHE OXT  O N N 340 
PHE H    H N N 341 
PHE H2   H N N 342 
PHE HA   H N N 343 
PHE HB2  H N N 344 
PHE HB3  H N N 345 
PHE HD1  H N N 346 
PHE HD2  H N N 347 
PHE HE1  H N N 348 
PHE HE2  H N N 349 
PHE HZ   H N N 350 
PHE HXT  H N N 351 
PRO N    N N N 352 
PRO CA   C N S 353 
PRO C    C N N 354 
PRO O    O N N 355 
PRO CB   C N N 356 
PRO CG   C N N 357 
PRO CD   C N N 358 
PRO OXT  O N N 359 
PRO H    H N N 360 
PRO HA   H N N 361 
PRO HB2  H N N 362 
PRO HB3  H N N 363 
PRO HG2  H N N 364 
PRO HG3  H N N 365 
PRO HD2  H N N 366 
PRO HD3  H N N 367 
PRO HXT  H N N 368 
SER N    N N N 369 
SER CA   C N S 370 
SER C    C N N 371 
SER O    O N N 372 
SER CB   C N N 373 
SER OG   O N N 374 
SER OXT  O N N 375 
SER H    H N N 376 
SER H2   H N N 377 
SER HA   H N N 378 
SER HB2  H N N 379 
SER HB3  H N N 380 
SER HG   H N N 381 
SER HXT  H N N 382 
THR N    N N N 383 
THR CA   C N S 384 
THR C    C N N 385 
THR O    O N N 386 
THR CB   C N R 387 
THR OG1  O N N 388 
THR CG2  C N N 389 
THR OXT  O N N 390 
THR H    H N N 391 
THR H2   H N N 392 
THR HA   H N N 393 
THR HB   H N N 394 
THR HG1  H N N 395 
THR HG21 H N N 396 
THR HG22 H N N 397 
THR HG23 H N N 398 
THR HXT  H N N 399 
TRP N    N N N 400 
TRP CA   C N S 401 
TRP C    C N N 402 
TRP O    O N N 403 
TRP CB   C N N 404 
TRP CG   C Y N 405 
TRP CD1  C Y N 406 
TRP CD2  C Y N 407 
TRP NE1  N Y N 408 
TRP CE2  C Y N 409 
TRP CE3  C Y N 410 
TRP CZ2  C Y N 411 
TRP CZ3  C Y N 412 
TRP CH2  C Y N 413 
TRP OXT  O N N 414 
TRP H    H N N 415 
TRP H2   H N N 416 
TRP HA   H N N 417 
TRP HB2  H N N 418 
TRP HB3  H N N 419 
TRP HD1  H N N 420 
TRP HE1  H N N 421 
TRP HE3  H N N 422 
TRP HZ2  H N N 423 
TRP HZ3  H N N 424 
TRP HH2  H N N 425 
TRP HXT  H N N 426 
TYR N    N N N 427 
TYR CA   C N S 428 
TYR C    C N N 429 
TYR O    O N N 430 
TYR CB   C N N 431 
TYR CG   C Y N 432 
TYR CD1  C Y N 433 
TYR CD2  C Y N 434 
TYR CE1  C Y N 435 
TYR CE2  C Y N 436 
TYR CZ   C Y N 437 
TYR OH   O N N 438 
TYR OXT  O N N 439 
TYR H    H N N 440 
TYR H2   H N N 441 
TYR HA   H N N 442 
TYR HB2  H N N 443 
TYR HB3  H N N 444 
TYR HD1  H N N 445 
TYR HD2  H N N 446 
TYR HE1  H N N 447 
TYR HE2  H N N 448 
TYR HH   H N N 449 
TYR HXT  H N N 450 
VAL N    N N N 451 
VAL CA   C N S 452 
VAL C    C N N 453 
VAL O    O N N 454 
VAL CB   C N N 455 
VAL CG1  C N N 456 
VAL CG2  C N N 457 
VAL OXT  O N N 458 
VAL H    H N N 459 
VAL H2   H N N 460 
VAL HA   H N N 461 
VAL HB   H N N 462 
VAL HG11 H N N 463 
VAL HG12 H N N 464 
VAL HG13 H N N 465 
VAL HG21 H N N 466 
VAL HG22 H N N 467 
VAL HG23 H N N 468 
VAL HXT  H N N 469 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
FWQ O24 S71  doub N N 70  
FWQ C43 C50  sing N N 71  
FWQ C43 C40  sing N N 72  
FWQ C51 C52  doub Y N 73  
FWQ C51 C50  sing Y N 74  
FWQ S71 O23  doub N N 75  
FWQ S71 C52  sing N N 76  
FWQ S71 O22  sing N N 77  
FWQ C52 C53  sing Y N 78  
FWQ C50 C55  doub Y N 79  
FWQ O19 S70  doub N N 80  
FWQ C39 C40  doub Y N 81  
FWQ C39 C38  sing Y N 82  
FWQ O20 S70  doub N N 83  
FWQ C40 C41  sing Y N 84  
FWQ C55 O6   sing N N 85  
FWQ C55 C54  sing Y N 86  
FWQ C53 C54  doub Y N 87  
FWQ C54 C72  sing N N 88  
FWQ S70 C38  sing N N 89  
FWQ S70 O21  sing N N 90  
FWQ C38 C37  doub Y N 91  
FWQ C41 O5   sing N N 92  
FWQ C41 C36  doub Y N 93  
FWQ C72 C46  sing N N 94  
FWQ C37 C36  sing Y N 95  
FWQ C36 C29  sing N N 96  
FWQ C29 C20  sing N N 97  
FWQ C46 C45  doub Y N 98  
FWQ C46 C47  sing Y N 99  
FWQ O1  C45  sing N N 100 
FWQ O17 S69  doub N N 101 
FWQ C45 C44  sing Y N 102 
FWQ C19 C20  doub Y N 103 
FWQ C19 C18  sing Y N 104 
FWQ C47 C48  doub Y N 105 
FWQ C20 C21  sing Y N 106 
FWQ O16 S69  doub N N 107 
FWQ S69 C18  sing N N 108 
FWQ S69 O18  sing N N 109 
FWQ C18 C17  doub Y N 110 
FWQ C21 O4   sing N N 111 
FWQ C21 C16  doub Y N 112 
FWQ C44 C14  sing N N 113 
FWQ C44 C49  doub Y N 114 
FWQ C48 C49  sing Y N 115 
FWQ C48 S64  sing N N 116 
FWQ O9  S64  doub N N 117 
FWQ C14 C12  sing N N 118 
FWQ C17 C16  sing Y N 119 
FWQ S64 O7   doub N N 120 
FWQ S64 O8   sing N N 121 
FWQ C16 C15  sing N N 122 
FWQ O2  C13  sing N N 123 
FWQ C15 C4   sing N N 124 
FWQ C12 C13  doub Y N 125 
FWQ C12 C11  sing Y N 126 
FWQ O3  C3   sing N N 127 
FWQ C13 C8   sing Y N 128 
FWQ C11 C10  doub Y N 129 
FWQ C4  C3   doub Y N 130 
FWQ C4  C5   sing Y N 131 
FWQ C3  C2   sing Y N 132 
FWQ C8  C7   sing N N 133 
FWQ C8  C9   doub Y N 134 
FWQ C10 C9   sing Y N 135 
FWQ C10 S67  sing N N 136 
FWQ C2  C7   sing N N 137 
FWQ C2  C1   doub Y N 138 
FWQ C5  C6   doub Y N 139 
FWQ O10 S67  doub N N 140 
FWQ S67 O11  doub N N 141 
FWQ S67 O12  sing N N 142 
FWQ C1  C6   sing Y N 143 
FWQ C6  S68  sing N N 144 
FWQ O15 S68  doub N N 145 
FWQ S68 O13  doub N N 146 
FWQ S68 O14  sing N N 147 
FWQ C1  H1   sing N N 148 
FWQ C5  H2   sing N N 149 
FWQ C7  H3   sing N N 150 
FWQ C7  H4   sing N N 151 
FWQ C9  H5   sing N N 152 
FWQ C11 H6   sing N N 153 
FWQ C14 H7   sing N N 154 
FWQ C14 H8   sing N N 155 
FWQ C15 H9   sing N N 156 
FWQ C15 H10  sing N N 157 
FWQ C17 H11  sing N N 158 
FWQ C19 H12  sing N N 159 
FWQ C37 H13  sing N N 160 
FWQ C29 H14  sing N N 161 
FWQ C29 H15  sing N N 162 
FWQ C39 H16  sing N N 163 
FWQ C43 H17  sing N N 164 
FWQ C43 H18  sing N N 165 
FWQ C47 H19  sing N N 166 
FWQ C49 H20  sing N N 167 
FWQ C51 H21  sing N N 168 
FWQ C53 H22  sing N N 169 
FWQ O1  H23  sing N N 170 
FWQ O2  H24  sing N N 171 
FWQ O3  H25  sing N N 172 
FWQ O4  H26  sing N N 173 
FWQ O5  H27  sing N N 174 
FWQ O6  H28  sing N N 175 
FWQ C72 H29  sing N N 176 
FWQ C72 H30  sing N N 177 
GLY N   CA   sing N N 178 
GLY N   H    sing N N 179 
GLY N   H2   sing N N 180 
GLY CA  C    sing N N 181 
GLY CA  HA2  sing N N 182 
GLY CA  HA3  sing N N 183 
GLY C   O    doub N N 184 
GLY C   OXT  sing N N 185 
GLY OXT HXT  sing N N 186 
HIS N   CA   sing N N 187 
HIS N   H    sing N N 188 
HIS N   H2   sing N N 189 
HIS CA  C    sing N N 190 
HIS CA  CB   sing N N 191 
HIS CA  HA   sing N N 192 
HIS C   O    doub N N 193 
HIS C   OXT  sing N N 194 
HIS CB  CG   sing N N 195 
HIS CB  HB2  sing N N 196 
HIS CB  HB3  sing N N 197 
HIS CG  ND1  sing Y N 198 
HIS CG  CD2  doub Y N 199 
HIS ND1 CE1  doub Y N 200 
HIS ND1 HD1  sing N N 201 
HIS CD2 NE2  sing Y N 202 
HIS CD2 HD2  sing N N 203 
HIS CE1 NE2  sing Y N 204 
HIS CE1 HE1  sing N N 205 
HIS NE2 HE2  sing N N 206 
HIS OXT HXT  sing N N 207 
HOH O   H1   sing N N 208 
HOH O   H2   sing N N 209 
ILE N   CA   sing N N 210 
ILE N   H    sing N N 211 
ILE N   H2   sing N N 212 
ILE CA  C    sing N N 213 
ILE CA  CB   sing N N 214 
ILE CA  HA   sing N N 215 
ILE C   O    doub N N 216 
ILE C   OXT  sing N N 217 
ILE CB  CG1  sing N N 218 
ILE CB  CG2  sing N N 219 
ILE CB  HB   sing N N 220 
ILE CG1 CD1  sing N N 221 
ILE CG1 HG12 sing N N 222 
ILE CG1 HG13 sing N N 223 
ILE CG2 HG21 sing N N 224 
ILE CG2 HG22 sing N N 225 
ILE CG2 HG23 sing N N 226 
ILE CD1 HD11 sing N N 227 
ILE CD1 HD12 sing N N 228 
ILE CD1 HD13 sing N N 229 
ILE OXT HXT  sing N N 230 
LEU N   CA   sing N N 231 
LEU N   H    sing N N 232 
LEU N   H2   sing N N 233 
LEU CA  C    sing N N 234 
LEU CA  CB   sing N N 235 
LEU CA  HA   sing N N 236 
LEU C   O    doub N N 237 
LEU C   OXT  sing N N 238 
LEU CB  CG   sing N N 239 
LEU CB  HB2  sing N N 240 
LEU CB  HB3  sing N N 241 
LEU CG  CD1  sing N N 242 
LEU CG  CD2  sing N N 243 
LEU CG  HG   sing N N 244 
LEU CD1 HD11 sing N N 245 
LEU CD1 HD12 sing N N 246 
LEU CD1 HD13 sing N N 247 
LEU CD2 HD21 sing N N 248 
LEU CD2 HD22 sing N N 249 
LEU CD2 HD23 sing N N 250 
LEU OXT HXT  sing N N 251 
LYS N   CA   sing N N 252 
LYS N   H    sing N N 253 
LYS N   H2   sing N N 254 
LYS CA  C    sing N N 255 
LYS CA  CB   sing N N 256 
LYS CA  HA   sing N N 257 
LYS C   O    doub N N 258 
LYS C   OXT  sing N N 259 
LYS CB  CG   sing N N 260 
LYS CB  HB2  sing N N 261 
LYS CB  HB3  sing N N 262 
LYS CG  CD   sing N N 263 
LYS CG  HG2  sing N N 264 
LYS CG  HG3  sing N N 265 
LYS CD  CE   sing N N 266 
LYS CD  HD2  sing N N 267 
LYS CD  HD3  sing N N 268 
LYS CE  NZ   sing N N 269 
LYS CE  HE2  sing N N 270 
LYS CE  HE3  sing N N 271 
LYS NZ  HZ1  sing N N 272 
LYS NZ  HZ2  sing N N 273 
LYS NZ  HZ3  sing N N 274 
LYS OXT HXT  sing N N 275 
MET N   CA   sing N N 276 
MET N   H    sing N N 277 
MET N   H2   sing N N 278 
MET CA  C    sing N N 279 
MET CA  CB   sing N N 280 
MET CA  HA   sing N N 281 
MET C   O    doub N N 282 
MET C   OXT  sing N N 283 
MET CB  CG   sing N N 284 
MET CB  HB2  sing N N 285 
MET CB  HB3  sing N N 286 
MET CG  SD   sing N N 287 
MET CG  HG2  sing N N 288 
MET CG  HG3  sing N N 289 
MET SD  CE   sing N N 290 
MET CE  HE1  sing N N 291 
MET CE  HE2  sing N N 292 
MET CE  HE3  sing N N 293 
MET OXT HXT  sing N N 294 
NDG C1  C2   sing N N 295 
NDG C1  O5   sing N N 296 
NDG C1  O1   sing N N 297 
NDG C1  H1   sing N N 298 
NDG C2  C3   sing N N 299 
NDG C2  N2   sing N N 300 
NDG C2  H2   sing N N 301 
NDG C3  C4   sing N N 302 
NDG C3  O3   sing N N 303 
NDG C3  H3   sing N N 304 
NDG C4  C5   sing N N 305 
NDG C4  O4   sing N N 306 
NDG C4  H4   sing N N 307 
NDG C5  C6   sing N N 308 
NDG C5  O5   sing N N 309 
NDG C5  H5   sing N N 310 
NDG C6  O6   sing N N 311 
NDG C6  H61  sing N N 312 
NDG C6  H62  sing N N 313 
NDG C7  C8   sing N N 314 
NDG C7  O7   doub N N 315 
NDG C7  N2   sing N N 316 
NDG C8  H81  sing N N 317 
NDG C8  H82  sing N N 318 
NDG C8  H83  sing N N 319 
NDG O3  HO3  sing N N 320 
NDG O4  HO4  sing N N 321 
NDG O6  HO6  sing N N 322 
NDG N2  HN2  sing N N 323 
NDG O1  HO1  sing N N 324 
PHE N   CA   sing N N 325 
PHE N   H    sing N N 326 
PHE N   H2   sing N N 327 
PHE CA  C    sing N N 328 
PHE CA  CB   sing N N 329 
PHE CA  HA   sing N N 330 
PHE C   O    doub N N 331 
PHE C   OXT  sing N N 332 
PHE CB  CG   sing N N 333 
PHE CB  HB2  sing N N 334 
PHE CB  HB3  sing N N 335 
PHE CG  CD1  doub Y N 336 
PHE CG  CD2  sing Y N 337 
PHE CD1 CE1  sing Y N 338 
PHE CD1 HD1  sing N N 339 
PHE CD2 CE2  doub Y N 340 
PHE CD2 HD2  sing N N 341 
PHE CE1 CZ   doub Y N 342 
PHE CE1 HE1  sing N N 343 
PHE CE2 CZ   sing Y N 344 
PHE CE2 HE2  sing N N 345 
PHE CZ  HZ   sing N N 346 
PHE OXT HXT  sing N N 347 
PRO N   CA   sing N N 348 
PRO N   CD   sing N N 349 
PRO N   H    sing N N 350 
PRO CA  C    sing N N 351 
PRO CA  CB   sing N N 352 
PRO CA  HA   sing N N 353 
PRO C   O    doub N N 354 
PRO C   OXT  sing N N 355 
PRO CB  CG   sing N N 356 
PRO CB  HB2  sing N N 357 
PRO CB  HB3  sing N N 358 
PRO CG  CD   sing N N 359 
PRO CG  HG2  sing N N 360 
PRO CG  HG3  sing N N 361 
PRO CD  HD2  sing N N 362 
PRO CD  HD3  sing N N 363 
PRO OXT HXT  sing N N 364 
SER N   CA   sing N N 365 
SER N   H    sing N N 366 
SER N   H2   sing N N 367 
SER CA  C    sing N N 368 
SER CA  CB   sing N N 369 
SER CA  HA   sing N N 370 
SER C   O    doub N N 371 
SER C   OXT  sing N N 372 
SER CB  OG   sing N N 373 
SER CB  HB2  sing N N 374 
SER CB  HB3  sing N N 375 
SER OG  HG   sing N N 376 
SER OXT HXT  sing N N 377 
THR N   CA   sing N N 378 
THR N   H    sing N N 379 
THR N   H2   sing N N 380 
THR CA  C    sing N N 381 
THR CA  CB   sing N N 382 
THR CA  HA   sing N N 383 
THR C   O    doub N N 384 
THR C   OXT  sing N N 385 
THR CB  OG1  sing N N 386 
THR CB  CG2  sing N N 387 
THR CB  HB   sing N N 388 
THR OG1 HG1  sing N N 389 
THR CG2 HG21 sing N N 390 
THR CG2 HG22 sing N N 391 
THR CG2 HG23 sing N N 392 
THR OXT HXT  sing N N 393 
TRP N   CA   sing N N 394 
TRP N   H    sing N N 395 
TRP N   H2   sing N N 396 
TRP CA  C    sing N N 397 
TRP CA  CB   sing N N 398 
TRP CA  HA   sing N N 399 
TRP C   O    doub N N 400 
TRP C   OXT  sing N N 401 
TRP CB  CG   sing N N 402 
TRP CB  HB2  sing N N 403 
TRP CB  HB3  sing N N 404 
TRP CG  CD1  doub Y N 405 
TRP CG  CD2  sing Y N 406 
TRP CD1 NE1  sing Y N 407 
TRP CD1 HD1  sing N N 408 
TRP CD2 CE2  doub Y N 409 
TRP CD2 CE3  sing Y N 410 
TRP NE1 CE2  sing Y N 411 
TRP NE1 HE1  sing N N 412 
TRP CE2 CZ2  sing Y N 413 
TRP CE3 CZ3  doub Y N 414 
TRP CE3 HE3  sing N N 415 
TRP CZ2 CH2  doub Y N 416 
TRP CZ2 HZ2  sing N N 417 
TRP CZ3 CH2  sing Y N 418 
TRP CZ3 HZ3  sing N N 419 
TRP CH2 HH2  sing N N 420 
TRP OXT HXT  sing N N 421 
TYR N   CA   sing N N 422 
TYR N   H    sing N N 423 
TYR N   H2   sing N N 424 
TYR CA  C    sing N N 425 
TYR CA  CB   sing N N 426 
TYR CA  HA   sing N N 427 
TYR C   O    doub N N 428 
TYR C   OXT  sing N N 429 
TYR CB  CG   sing N N 430 
TYR CB  HB2  sing N N 431 
TYR CB  HB3  sing N N 432 
TYR CG  CD1  doub Y N 433 
TYR CG  CD2  sing Y N 434 
TYR CD1 CE1  sing Y N 435 
TYR CD1 HD1  sing N N 436 
TYR CD2 CE2  doub Y N 437 
TYR CD2 HD2  sing N N 438 
TYR CE1 CZ   doub Y N 439 
TYR CE1 HE1  sing N N 440 
TYR CE2 CZ   sing Y N 441 
TYR CE2 HE2  sing N N 442 
TYR CZ  OH   sing N N 443 
TYR OH  HH   sing N N 444 
TYR OXT HXT  sing N N 445 
VAL N   CA   sing N N 446 
VAL N   H    sing N N 447 
VAL N   H2   sing N N 448 
VAL CA  C    sing N N 449 
VAL CA  CB   sing N N 450 
VAL CA  HA   sing N N 451 
VAL C   O    doub N N 452 
VAL C   OXT  sing N N 453 
VAL CB  CG1  sing N N 454 
VAL CB  CG2  sing N N 455 
VAL CB  HB   sing N N 456 
VAL CG1 HG11 sing N N 457 
VAL CG1 HG12 sing N N 458 
VAL CG1 HG13 sing N N 459 
VAL CG2 HG21 sing N N 460 
VAL CG2 HG22 sing N N 461 
VAL CG2 HG23 sing N N 462 
VAL OXT HXT  sing N N 463 
# 
_pdbx_audit_support.funding_organization   'Science Foundation Ireland' 
_pdbx_audit_support.country                Ireland 
_pdbx_audit_support.grant_number           12/RC/2275_P2 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   8r3d 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'C 2 2 21' 
_space_group.name_Hall        'C 2c 2' 
_space_group.IT_number        20 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9FRO 
_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]   0.017995 
_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]   0.010789 
_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]   0.008899 
_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 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . SER A 1 2  ? -17.56039 6.80713   6.58236  0.000 39.01073 ? 2   SER A N   1 
ATOM   2    C CA  . SER A 1 2  ? -18.82439 6.94747   7.29527  0.000 39.12339 ? 2   SER A CA  1 
ATOM   3    C C   . SER A 1 2  ? -18.62447 6.79141   8.79810  0.000 38.77663 ? 2   SER A C   1 
ATOM   4    O O   . SER A 1 2  ? -18.63060 7.77127   9.54313  0.000 39.01940 ? 2   SER A O   1 
ATOM   5    C CB  . SER A 1 2  ? -19.84146 5.92005   6.79289  0.000 39.50682 ? 2   SER A CB  1 
ATOM   6    O OG  . SER A 1 2  ? -19.40654 4.59804   7.06080  0.000 39.77952 ? 2   SER A OG  1 
ATOM   7    N N   . GLY A 1 3  ? -18.44377 5.54879   9.23426  1.000 41.74345 ? 3   GLY A N   1 
ATOM   8    C CA  . GLY A 1 3  ? -18.28664 5.25189   10.64376 1.000 32.94006 ? 3   GLY A CA  1 
ATOM   9    C C   . GLY A 1 3  ? -16.84450 5.25052   11.11366 1.000 32.82292 ? 3   GLY A C   1 
ATOM   10   O O   . GLY A 1 3  ? -16.16154 6.27690   11.04279 1.000 39.52689 ? 3   GLY A O   1 
ATOM   11   N N   . PHE A 1 4  ? -16.36541 4.10784   11.59709 1.000 29.19940 ? 4   PHE A N   1 
ATOM   12   C CA  . PHE A 1 4  ? -15.01279 4.00110   12.12741 1.000 22.62769 ? 4   PHE A CA  1 
ATOM   13   C C   . PHE A 1 4  ? -14.03434 3.50310   11.06569 1.000 21.20391 ? 4   PHE A C   1 
ATOM   14   O O   . PHE A 1 4  ? -14.37466 2.66522   10.22506 1.000 24.23930 ? 4   PHE A O   1 
ATOM   15   C CB  . PHE A 1 4  ? -14.97175 3.06043   13.32899 1.000 21.92378 ? 4   PHE A CB  1 
ATOM   16   C CG  . PHE A 1 4  ? -15.52226 3.66327   14.59142 1.000 23.07077 ? 4   PHE A CG  1 
ATOM   17   C CD1 . PHE A 1 4  ? -16.86887 3.96900   14.69637 1.000 32.05207 ? 4   PHE A CD1 1 
ATOM   18   C CD2 . PHE A 1 4  ? -14.68698 3.93558   15.66631 1.000 22.48272 ? 4   PHE A CD2 1 
ATOM   19   C CE1 . PHE A 1 4  ? -17.37408 4.51945   15.85981 1.000 31.15241 ? 4   PHE A CE1 1 
ATOM   20   C CE2 . PHE A 1 4  ? -15.18445 4.49130   16.82894 1.000 26.05730 ? 4   PHE A CE2 1 
ATOM   21   C CZ  . PHE A 1 4  ? -16.53088 4.78374   16.92476 1.000 22.91435 ? 4   PHE A CZ  1 
ATOM   22   N N   . LYS A 1 5  ? -12.81068 4.03025   11.12494 1.000 20.97706 ? 5   LYS A N   1 
ATOM   23   C CA  . LYS A 1 5  ? -11.71178 3.59121   10.26494 1.000 18.75805 ? 5   LYS A CA  1 
ATOM   24   C C   . LYS A 1 5  ? -10.99561 2.38336   10.86125 1.000 21.07728 ? 5   LYS A C   1 
ATOM   25   O O   . LYS A 1 5  ? -10.56459 1.47373   10.13510 1.000 20.08637 ? 5   LYS A O   1 
ATOM   26   C CB  . LYS A 1 5  ? -10.73253 4.75094   10.07561 1.000 21.95499 ? 5   LYS A CB  1 
ATOM   27   C CG  . LYS A 1 5  ? -9.57072  4.47593   9.14128  1.000 29.41566 ? 5   LYS A CG  1 
ATOM   28   C CD  . LYS A 1 5  ? -8.58098  5.64082   9.15434  1.000 28.41873 ? 5   LYS A CD  1 
ATOM   29   C CE  . LYS A 1 5  ? -7.35480  5.31746   8.30508  1.000 38.84652 ? 5   LYS A CE  1 
ATOM   30   N NZ  . LYS A 1 5  ? -6.41257  6.46431   8.24121  1.000 35.95683 ? 5   LYS A NZ  1 
ATOM   31   N N   . PHE A 1 6  ? -10.84676 2.38159   12.18327 1.000 22.81078 ? 6   PHE A N   1 
ATOM   32   C CA  . PHE A 1 6  ? -10.33102 1.25862   12.94641 1.000 20.13603 ? 6   PHE A CA  1 
ATOM   33   C C   . PHE A 1 6  ? -11.23248 1.05045   14.15068 1.000 17.22780 ? 6   PHE A C   1 
ATOM   34   O O   . PHE A 1 6  ? -11.79781 2.00940   14.68453 1.000 21.18321 ? 6   PHE A O   1 
ATOM   35   C CB  . PHE A 1 6  ? -8.90482  1.48899   13.46234 1.000 20.14622 ? 6   PHE A CB  1 
ATOM   36   C CG  . PHE A 1 6  ? -7.88081  1.65765   12.37466 1.000 22.34479 ? 6   PHE A CG  1 
ATOM   37   C CD1 . PHE A 1 6  ? -7.38853  0.55255   11.70024 1.000 20.82143 ? 6   PHE A CD1 1 
ATOM   38   C CD2 . PHE A 1 6  ? -7.37480  2.91703   12.06550 1.000 20.58726 ? 6   PHE A CD2 1 
ATOM   39   C CE1 . PHE A 1 6  ? -6.42323  0.70093   10.70183 1.000 24.93144 ? 6   PHE A CE1 1 
ATOM   40   C CE2 . PHE A 1 6  ? -6.40053  3.07558   11.07773 1.000 19.73147 ? 6   PHE A CE2 1 
ATOM   41   C CZ  . PHE A 1 6  ? -5.92628  1.96185   10.39885 1.000 25.95137 ? 6   PHE A CZ  1 
ATOM   42   N N   . LEU A 1 7  ? -11.33366 -0.20272  14.58911 1.000 19.37379 ? 7   LEU A N   1 
ATOM   43   C CA  . LEU A 1 7  ? -12.09112 -0.55481  15.79380 1.000 18.35620 ? 7   LEU A CA  1 
ATOM   44   C C   . LEU A 1 7  ? -11.49692 -1.84408  16.33771 1.000 16.21579 ? 7   LEU A C   1 
ATOM   45   O O   . LEU A 1 7  ? -11.53621 -2.86981  15.65151 1.000 18.67547 ? 7   LEU A O   1 
ATOM   46   C CB  . LEU A 1 7  ? -13.57662 -0.73077  15.45912 1.000 20.28862 ? 7   LEU A CB  1 
ATOM   47   C CG  . LEU A 1 7  ? -14.48544 -0.88764  16.67267 1.000 17.98688 ? 7   LEU A CG  1 
ATOM   48   C CD1 . LEU A 1 7  ? -14.55035 0.43420   17.45288 1.000 20.64203 ? 7   LEU A CD1 1 
ATOM   49   C CD2 . LEU A 1 7  ? -15.87370 -1.36254  16.23025 1.000 23.22533 ? 7   LEU A CD2 1 
ATOM   50   N N   . PHE A 1 8  ? -10.93739 -1.80689  17.55003 1.000 18.23221 ? 8   PHE A N   1 
ATOM   51   C CA  . PHE A 1 8  ? -10.09278 -2.90860  18.00389 1.000 17.59587 ? 8   PHE A CA  1 
ATOM   52   C C   . PHE A 1 8  ? -9.91192  -2.82871  19.51661 1.000 18.20235 ? 8   PHE A C   1 
ATOM   53   O O   . PHE A 1 8  ? -10.10661 -1.77518  20.12739 1.000 18.90603 ? 8   PHE A O   1 
ATOM   54   C CB  . PHE A 1 8  ? -8.71741  -2.88839  17.31374 1.000 16.60572 ? 8   PHE A CB  1 
ATOM   55   C CG  . PHE A 1 8  ? -7.95015  -1.58430  17.48345 1.000 16.14661 ? 8   PHE A CG  1 
ATOM   56   C CD1 . PHE A 1 8  ? -8.28129  -0.45360  16.73041 1.000 20.61991 ? 8   PHE A CD1 1 
ATOM   57   C CD2 . PHE A 1 8  ? -6.88994  -1.49942  18.36929 1.000 17.53825 ? 8   PHE A CD2 1 
ATOM   58   C CE1 . PHE A 1 8  ? -7.56701  0.73672   16.87909 1.000 20.33653 ? 8   PHE A CE1 1 
ATOM   59   C CE2 . PHE A 1 8  ? -6.16999  -0.31247  18.51588 1.000 20.29037 ? 8   PHE A CE2 1 
ATOM   60   C CZ  . PHE A 1 8  ? -6.52107  0.80908   17.76854 1.000 16.98936 ? 8   PHE A CZ  1 
ATOM   61   N N   . PHE A 1 9  ? -9.49242  -3.94430  20.11015 1.000 19.04646 ? 9   PHE A N   1 
ATOM   62   C CA  . PHE A 1 9  ? -9.29753  -4.00128  21.55666 1.000 17.79044 ? 9   PHE A CA  1 
ATOM   63   C C   . PHE A 1 9  ? -7.83622  -3.87394  21.95228 1.000 17.86804 ? 9   PHE A C   1 
ATOM   64   O O   . PHE A 1 9  ? -6.93962  -4.34754  21.24967 1.000 18.87577 ? 9   PHE A O   1 
ATOM   65   C CB  . PHE A 1 9  ? -9.84763  -5.29754  22.15071 1.000 16.98490 ? 9   PHE A CB  1 
ATOM   66   C CG  . PHE A 1 9  ? -11.32902 -5.24716  22.40350 1.000 16.39288 ? 9   PHE A CG  1 
ATOM   67   C CD1 . PHE A 1 9  ? -11.83398 -4.65164  23.55605 1.000 22.12429 ? 9   PHE A CD1 1 
ATOM   68   C CD2 . PHE A 1 9  ? -12.20542 -5.75709  21.46741 1.000 18.38057 ? 9   PHE A CD2 1 
ATOM   69   C CE1 . PHE A 1 9  ? -13.20024 -4.59061  23.78477 1.000 21.96621 ? 9   PHE A CE1 1 
ATOM   70   C CE2 . PHE A 1 9  ? -13.57125 -5.69978  21.67929 1.000 21.38674 ? 9   PHE A CE2 1 
ATOM   71   C CZ  . PHE A 1 9  ? -14.07047 -5.11706  22.83897 1.000 20.49213 ? 9   PHE A CZ  1 
ATOM   72   N N   . SER A 1 10 ? -7.61199  -3.20976  23.09801 1.000 16.35254 ? 10  SER A N   1 
ATOM   73   C CA  . SER A 1 10 ? -6.40176  -3.32052  23.88007 1.000 16.04671 ? 10  SER A CA  1 
ATOM   74   C C   . SER A 1 10 ? -6.48114  -4.60234  24.70518 1.000 22.69271 ? 10  SER A C   1 
ATOM   75   O O   . SER A 1 10 ? -7.58109  -5.05847  25.03345 1.000 20.46809 ? 10  SER A O   1 
ATOM   76   C CB  . SER A 1 10 ? -6.27625  -2.10438  24.79901 1.000 27.86637 ? 10  SER A CB  1 
ATOM   77   O OG  . SER A 1 10 ? -5.13629  -2.16978  25.62418 1.000 31.44090 ? 10  SER A OG  1 
ATOM   78   N N   . PRO A 1 11 ? -5.34239  -5.20995  25.05649 1.000 19.30347 ? 11  PRO A N   1 
ATOM   79   C CA  . PRO A 1 11 ? -5.39980  -6.48127  25.80408 1.000 17.70829 ? 11  PRO A CA  1 
ATOM   80   C C   . PRO A 1 11 ? -5.99630  -6.36690  27.20762 1.000 21.96275 ? 11  PRO A C   1 
ATOM   81   O O   . PRO A 1 11 ? -6.29007  -7.40472  27.81622 1.000 23.57085 ? 11  PRO A O   1 
ATOM   82   C CB  . PRO A 1 11 ? -3.93069  -6.93806  25.85199 1.000 21.94443 ? 11  PRO A CB  1 
ATOM   83   C CG  . PRO A 1 11 ? -3.12330  -5.70537  25.61307 1.000 18.49093 ? 11  PRO A CG  1 
ATOM   84   C CD  . PRO A 1 11 ? -3.95481  -4.83184  24.71083 1.000 18.74456 ? 11  PRO A CD  1 
ATOM   85   N N   . ASP A 1 12 ? -6.19612  -5.16081  27.73658 1.000 16.06324 ? 12  ASP A N   1 
ATOM   86   C CA  . ASP A 1 12 ? -6.87945  -4.99807  29.01857 1.000 18.48156 ? 12  ASP A CA  1 
ATOM   87   C C   . ASP A 1 12 ? -8.39714  -5.03336  28.87242 1.000 23.25402 ? 12  ASP A C   1 
ATOM   88   O O   . ASP A 1 12 ? -9.11676  -4.95016  29.87915 1.000 23.48679 ? 12  ASP A O   1 
ATOM   89   C CB  . ASP A 1 12 ? -6.46617  -3.68004  29.66789 1.000 25.84344 ? 12  ASP A CB  1 
ATOM   90   C CG  . ASP A 1 12 ? -7.00598  -2.47524  28.92187 1.000 39.39890 ? 12  ASP A CG  1 
ATOM   91   O OD1 . ASP A 1 12 ? -7.42830  -1.50246  29.57127 1.000 34.76951 ? 12  ASP A OD1 1 
ATOM   92   O OD2 . ASP A 1 12 ? -7.06131  -2.52000  27.68143 1.000 35.94263 ? 12  ASP A OD2 1 
ATOM   93   N N   . GLY A 1 13 ? -8.90573  -5.13141  27.64486 1.000 21.90524 ? 13  GLY A N   1 
ATOM   94   C CA  . GLY A 1 13 ? -10.33471 -5.14850  27.40581 1.000 24.10782 ? 13  GLY A CA  1 
ATOM   95   C C   . GLY A 1 13 ? -10.94373 -3.82100  27.01282 1.000 23.57547 ? 13  GLY A C   1 
ATOM   96   O O   . GLY A 1 13 ? -12.16376 -3.75553  26.82124 1.000 23.62946 ? 13  GLY A O   1 
ATOM   97   N N   . THR A 1 14 ? -10.14136 -2.76667  26.87674 1.000 18.74123 ? 14  THR A N   1 
ATOM   98   C CA  . THR A 1 14 ? -10.66146 -1.46234  26.48624 1.000 21.19081 ? 14  THR A CA  1 
ATOM   99   C C   . THR A 1 14 ? -10.80186 -1.39212  24.96885 1.000 20.18170 ? 14  THR A C   1 
ATOM   100  O O   . THR A 1 14 ? -9.91714  -1.83849  24.23666 1.000 20.59187 ? 14  THR A O   1 
ATOM   101  C CB  . THR A 1 14 ? -9.72631  -0.35791  26.97836 1.000 20.61835 ? 14  THR A CB  1 
ATOM   102  O OG1 . THR A 1 14 ? -9.64305  -0.41566  28.41114 1.000 23.06014 ? 14  THR A OG1 1 
ATOM   103  C CG2 . THR A 1 14 ? -10.23075 1.02717   26.54518 1.000 23.64255 ? 14  THR A CG2 1 
ATOM   104  N N   . LEU A 1 15 ? -11.92553 -0.83985  24.50753 1.000 19.23577 ? 15  LEU A N   1 
ATOM   105  C CA  . LEU A 1 15 ? -12.18443 -0.69724  23.08307 1.000 21.67410 ? 15  LEU A CA  1 
ATOM   106  C C   . LEU A 1 15 ? -11.54483 0.58501   22.57329 1.000 20.79333 ? 15  LEU A C   1 
ATOM   107  O O   . LEU A 1 15 ? -11.62824 1.63586   23.21619 1.000 21.91233 ? 15  LEU A O   1 
ATOM   108  C CB  . LEU A 1 15 ? -13.69356 -0.67405  22.81178 1.000 18.93951 ? 15  LEU A CB  1 
ATOM   109  C CG  . LEU A 1 15 ? -14.10960 -0.58842  21.33665 1.000 18.85895 ? 15  LEU A CG  1 
ATOM   110  C CD1 . LEU A 1 15 ? -13.66032 -1.82481  20.56902 1.000 19.78272 ? 15  LEU A CD1 1 
ATOM   111  C CD2 . LEU A 1 15 ? -15.63534 -0.37582  21.16414 1.000 21.23625 ? 15  LEU A CD2 1 
ATOM   112  N N   . TYR A 1 16 ? -10.88139 0.49379   21.42223 1.000 19.18158 ? 16  TYR A N   1 
ATOM   113  C CA  . TYR A 1 16 ? -10.27971 1.64671   20.77316 1.000 20.41401 ? 16  TYR A CA  1 
ATOM   114  C C   . TYR A 1 16 ? -10.93494 1.83692   19.41344 1.000 15.74368 ? 16  TYR A C   1 
ATOM   115  O O   . TYR A 1 16 ? -11.29160 0.86362   18.74643 1.000 18.70586 ? 16  TYR A O   1 
ATOM   116  C CB  . TYR A 1 16 ? -8.77387  1.46042   20.57575 1.000 17.36780 ? 16  TYR A CB  1 
ATOM   117  C CG  . TYR A 1 16 ? -7.91145  1.76992   21.78741 1.000 18.23764 ? 16  TYR A CG  1 
ATOM   118  C CD1 . TYR A 1 16 ? -8.02624  1.03540   22.95452 1.000 20.06502 ? 16  TYR A CD1 1 
ATOM   119  C CD2 . TYR A 1 16 ? -6.93600  2.76338   21.73059 1.000 19.43699 ? 16  TYR A CD2 1 
ATOM   120  C CE1 . TYR A 1 16 ? -7.20516  1.30855   24.06044 1.000 20.47229 ? 16  TYR A CE1 1 
ATOM   121  C CE2 . TYR A 1 16 ? -6.11749  3.03727   22.82228 1.000 24.45434 ? 16  TYR A CE2 1 
ATOM   122  C CZ  . TYR A 1 16 ? -6.26168  2.31312   23.98460 1.000 20.25493 ? 16  TYR A CZ  1 
ATOM   123  O OH  . TYR A 1 16 ? -5.43670  2.57993   25.07750 1.000 19.41513 ? 16  TYR A OH  1 
ATOM   124  N N   . GLY A 1 17 ? -11.07382 3.08989   18.99776 1.000 21.43933 ? 17  GLY A N   1 
ATOM   125  C CA  . GLY A 1 17 ? -11.65532 3.35958   17.69217 1.000 20.92337 ? 17  GLY A CA  1 
ATOM   126  C C   . GLY A 1 17 ? -11.13896 4.63303   17.05995 1.000 21.52678 ? 17  GLY A C   1 
ATOM   127  O O   . GLY A 1 17 ? -10.91181 5.62479   17.76128 1.000 20.45270 ? 17  GLY A O   1 
ATOM   128  N N   . VAL A 1 18 ? -10.93314 4.62303   15.74224 1.000 19.04483 ? 18  VAL A N   1 
ATOM   129  C CA  . VAL A 1 18 ? -10.62243 5.83006   14.98806 1.000 21.29347 ? 18  VAL A CA  1 
ATOM   130  C C   . VAL A 1 18 ? -11.89512 6.25422   14.26698 1.000 24.13920 ? 18  VAL A C   1 
ATOM   131  O O   . VAL A 1 18 ? -12.49278 5.46908   13.52510 1.000 24.37722 ? 18  VAL A O   1 
ATOM   132  C CB  . VAL A 1 18 ? -9.46022  5.61362   14.00284 1.000 18.81933 ? 18  VAL A CB  1 
ATOM   133  C CG1 . VAL A 1 18 ? -9.27290  6.84868   13.12347 1.000 21.73132 ? 18  VAL A CG1 1 
ATOM   134  C CG2 . VAL A 1 18 ? -8.16448  5.32513   14.78364 1.000 19.58961 ? 18  VAL A CG2 1 
ATOM   135  N N   . HIS A 1 19 ? -12.32751 7.48437   14.52686 1.000 23.80244 ? 19  HIS A N   1 
ATOM   136  C CA  . HIS A 1 19 ? -13.55621 8.03658   13.97393 1.000 24.95603 ? 19  HIS A CA  1 
ATOM   137  C C   . HIS A 1 19 ? -13.23991 9.46643   13.56937 1.000 26.21818 ? 19  HIS A C   1 
ATOM   138  O O   . HIS A 1 19 ? -12.83374 10.26947  14.41518 1.000 28.92341 ? 19  HIS A O   1 
ATOM   139  C CB  . HIS A 1 19 ? -14.69295 7.98737   15.00200 1.000 26.85488 ? 19  HIS A CB  1 
ATOM   140  C CG  . HIS A 1 19 ? -15.98090 8.57837   14.51670 1.000 31.54257 ? 19  HIS A CG  1 
ATOM   141  N ND1 . HIS A 1 19 ? -16.44682 9.80240   14.94536 1.000 34.69384 ? 19  HIS A ND1 1 
ATOM   142  C CD2 . HIS A 1 19 ? -16.91643 8.09830   13.66302 1.000 44.46544 ? 19  HIS A CD2 1 
ATOM   143  C CE1 . HIS A 1 19 ? -17.60280 10.06126  14.36104 1.000 39.38161 ? 19  HIS A CE1 1 
ATOM   144  N NE2 . HIS A 1 19 ? -17.91046 9.04319   13.57767 1.000 36.19304 ? 19  HIS A NE2 1 
ATOM   145  N N   . ASN A 1 20 ? -13.39559 9.77027   12.27951 1.000 31.86900 ? 20  ASN A N   1 
ATOM   146  C CA  . ASN A 1 20 ? -13.11067 11.09723  11.72983 1.000 32.03310 ? 20  ASN A CA  1 
ATOM   147  C C   . ASN A 1 20 ? -11.71492 11.57730  12.11827 1.000 35.98288 ? 20  ASN A C   1 
ATOM   148  O O   . ASN A 1 20 ? -11.53154 12.67466  12.65049 1.000 38.43073 ? 20  ASN A O   1 
ATOM   149  C CB  . ASN A 1 20 ? -14.17121 12.11035  12.15861 1.000 38.86735 ? 20  ASN A CB  1 
ATOM   150  C CG  . ASN A 1 20 ? -15.56300 11.71940  11.70980 1.000 42.30437 ? 20  ASN A CG  1 
ATOM   151  O OD1 . ASN A 1 20 ? -15.73127 10.88151  10.82272 1.000 55.57873 ? 20  ASN A OD1 1 
ATOM   152  N ND2 . ASN A 1 20 ? -16.57202 12.33017  12.31800 1.000 46.98311 ? 20  ASN A ND2 1 
ATOM   153  N N   . ASP A 1 21 ? -10.72262 10.72935  11.85439 1.000 35.10652 ? 21  ASP A N   1 
ATOM   154  C CA  . ASP A 1 21 ? -9.30525  11.00779  12.06583 1.000 30.54292 ? 21  ASP A CA  1 
ATOM   155  C C   . ASP A 1 21 ? -8.93347  11.18650  13.53378 1.000 30.55536 ? 21  ASP A C   1 
ATOM   156  O O   . ASP A 1 21 ? -7.80047  11.57415  13.83052 1.000 33.04702 ? 21  ASP A O   1 
ATOM   157  C CB  . ASP A 1 21 ? -8.84531  12.23673  11.26815 1.000 41.41149 ? 21  ASP A CB  1 
ATOM   158  C CG  . ASP A 1 21 ? -9.07946  12.08888  9.76882  1.000 52.67616 ? 21  ASP A CG  1 
ATOM   159  O OD1 . ASP A 1 21 ? -9.88158  11.22211  9.35788  1.000 49.63900 ? 21  ASP A OD1 1 
ATOM   160  O OD2 . ASP A 1 21 ? -8.45659  12.84800  8.99796  1.000 66.92233 ? 21  ASP A OD2 1 
ATOM   161  N N   . LYS A 1 22 ? -9.84777  10.90955  14.45644 1.000 29.25665 ? 22  LYS A N   1 
ATOM   162  C CA  . LYS A 1 22 ? -9.59320  11.02650  15.88466 1.000 31.79661 ? 22  LYS A CA  1 
ATOM   163  C C   . LYS A 1 22 ? -9.60728  9.64933   16.53848 1.000 28.06691 ? 22  LYS A C   1 
ATOM   164  O O   . LYS A 1 22 ? -10.35327 8.75956   16.12290 1.000 25.80695 ? 22  LYS A O   1 
ATOM   165  C CB  . LYS A 1 22 ? -10.63945 11.92291  16.55419 1.000 27.20547 ? 22  LYS A CB  1 
ATOM   166  C CG  . LYS A 1 22 ? -10.49207 13.39845  16.21764 1.000 42.45151 ? 22  LYS A CG  1 
ATOM   167  C CD  . LYS A 1 22 ? -11.71198 14.19626  16.64306 1.000 41.38906 ? 22  LYS A CD  1 
ATOM   168  C CE  . LYS A 1 22 ? -12.89222 13.94068  15.72239 0.000 37.17685 ? 22  LYS A CE  1 
ATOM   169  N NZ  . LYS A 1 22 ? -12.78605 14.73126  14.46600 0.000 37.31365 ? 22  LYS A NZ  1 
ATOM   170  N N   . LEU A 1 23 ? -8.79646  9.49184   17.58593 1.000 27.65891 ? 23  LEU A N   1 
ATOM   171  C CA  . LEU A 1 23 ? -8.67887  8.23394   18.31573 1.000 24.04645 ? 23  LEU A CA  1 
ATOM   172  C C   . LEU A 1 23 ? -9.41856  8.31827   19.64500 1.000 27.63519 ? 23  LEU A C   1 
ATOM   173  O O   . LEU A 1 23 ? -9.23131  9.27601   20.40486 1.000 26.06607 ? 23  LEU A O   1 
ATOM   174  C CB  . LEU A 1 23 ? -7.20879  7.88697   18.55220 1.000 26.92076 ? 23  LEU A CB  1 
ATOM   175  C CG  . LEU A 1 23 ? -6.92254  6.56681   19.25698 1.000 22.50667 ? 23  LEU A CG  1 
ATOM   176  C CD1 . LEU A 1 23 ? -7.50172  5.40199   18.46423 1.000 18.74472 ? 23  LEU A CD1 1 
ATOM   177  C CD2 . LEU A 1 23 ? -5.42675  6.40713   19.46828 1.000 19.90519 ? 23  LEU A CD2 1 
ATOM   178  N N   . TYR A 1 24 ? -10.23397 7.29890   19.93071 1.000 23.39986 ? 24  TYR A N   1 
ATOM   179  C CA  . TYR A 1 24 ? -11.03631 7.22798   21.14830 1.000 21.18531 ? 24  TYR A CA  1 
ATOM   180  C C   . TYR A 1 24 ? -10.81379 5.89894   21.85365 1.000 30.70107 ? 24  TYR A C   1 
ATOM   181  O O   . TYR A 1 24 ? -10.56168 4.88142   21.20533 1.000 24.30019 ? 24  TYR A O   1 
ATOM   182  C CB  . TYR A 1 24 ? -12.53408 7.35562   20.84784 1.000 23.86281 ? 24  TYR A CB  1 
ATOM   183  C CG  . TYR A 1 24 ? -12.93719 8.63877   20.17980 1.000 29.13360 ? 24  TYR A CG  1 
ATOM   184  C CD1 . TYR A 1 24 ? -12.83736 8.79106   18.80708 1.000 22.00805 ? 24  TYR A CD1 1 
ATOM   185  C CD2 . TYR A 1 24 ? -13.40885 9.70881   20.92653 1.000 36.62336 ? 24  TYR A CD2 1 
ATOM   186  C CE1 . TYR A 1 24 ? -13.21023 9.96858   18.19376 1.000 36.09945 ? 24  TYR A CE1 1 
ATOM   187  C CE2 . TYR A 1 24 ? -13.77945 10.89070  20.32013 1.000 35.85332 ? 24  TYR A CE2 1 
ATOM   188  C CZ  . TYR A 1 24 ? -13.68112 11.01466  18.95865 1.000 35.46176 ? 24  TYR A CZ  1 
ATOM   189  O OH  . TYR A 1 24 ? -14.05241 12.19491  18.35539 1.000 40.93284 ? 24  TYR A OH  1 
ATOM   190  N N   . LYS A 1 25 ? -10.95513 5.89175   23.18825 1.000 23.53841 ? 25  LYS A N   1 
ATOM   191  C CA  . LYS A 1 25 ? -10.93289 4.63236   23.92040 1.000 20.95211 ? 25  LYS A CA  1 
ATOM   192  C C   . LYS A 1 25 ? -12.00321 4.63615   25.00011 1.000 23.23845 ? 25  LYS A C   1 
ATOM   193  O O   . LYS A 1 25 ? -12.38013 5.68971   25.51561 1.000 27.17290 ? 25  LYS A O   1 
ATOM   194  C CB  . LYS A 1 25 ? -9.57691  4.34508   24.57388 1.000 21.55229 ? 25  LYS A CB  1 
ATOM   195  C CG  . LYS A 1 25 ? -9.18421  5.29803   25.69713 1.000 21.04576 ? 25  LYS A CG  1 
ATOM   196  C CD  . LYS A 1 25 ? -7.90094  4.82871   26.39008 1.000 22.10956 ? 25  LYS A CD  1 
ATOM   197  C CE  . LYS A 1 25 ? -7.46242  5.78985   27.50333 1.000 24.17824 ? 25  LYS A CE  1 
ATOM   198  N NZ  . LYS A 1 25 ? -6.22610  5.34638   28.23738 1.000 26.59575 ? 25  LYS A NZ  1 
ATOM   199  N N   . GLY A 1 26 ? -12.48155 3.44697   25.34064 1.000 20.56580 ? 26  GLY A N   1 
ATOM   200  C CA  . GLY A 1 26 ? -13.38177 3.30781   26.47959 1.000 25.65086 ? 26  GLY A CA  1 
ATOM   201  C C   . GLY A 1 26 ? -13.84798 1.87520   26.59129 1.000 25.08233 ? 26  GLY A C   1 
ATOM   202  O O   . GLY A 1 26 ? -13.65917 1.06705   25.68375 1.000 24.30938 ? 26  GLY A O   1 
ATOM   203  N N   . THR A 1 27 ? -14.45901 1.55573   27.73264 1.000 23.03032 ? 27  THR A N   1 
ATOM   204  C CA  . THR A 1 27 ? -15.01487 0.21801   27.86841 1.000 22.19991 ? 27  THR A CA  1 
ATOM   205  C C   . THR A 1 27 ? -16.04351 -0.00823  26.76447 1.000 25.15374 ? 27  THR A C   1 
ATOM   206  O O   . THR A 1 27 ? -16.74214 0.93315   26.36620 1.000 23.72966 ? 27  THR A O   1 
ATOM   207  C CB  . THR A 1 27 ? -15.66759 0.02199   29.23590 1.000 24.04688 ? 27  THR A CB  1 
ATOM   208  O OG1 . THR A 1 27 ? -16.72155 0.98195   29.39887 1.000 30.12799 ? 27  THR A OG1 1 
ATOM   209  C CG2 . THR A 1 27 ? -14.63497 0.19401   30.34551 1.000 31.33754 ? 27  THR A CG2 1 
ATOM   210  N N   . PRO A 1 28 ? -16.13103 -1.21746  26.21245 1.000 22.73411 ? 28  PRO A N   1 
ATOM   211  C CA  . PRO A 1 28 ? -17.02371 -1.43016  25.08186 1.000 22.08421 ? 28  PRO A CA  1 
ATOM   212  C C   . PRO A 1 28 ? -18.46486 -1.22783  25.49797 1.000 28.58981 ? 28  PRO A C   1 
ATOM   213  O O   . PRO A 1 28 ? -18.82365 -1.41170  26.67806 1.000 26.24293 ? 28  PRO A O   1 
ATOM   214  C CB  . PRO A 1 28 ? -16.74929 -2.88723  24.68264 1.000 25.92225 ? 28  PRO A CB  1 
ATOM   215  C CG  . PRO A 1 28 ? -16.18367 -3.52173  25.89945 1.000 20.16066 ? 28  PRO A CG  1 
ATOM   216  C CD  . PRO A 1 28 ? -15.41047 -2.44254  26.59727 1.000 28.15246 ? 28  PRO A CD  1 
ATOM   217  N N   . PRO A 1 29 ? -19.32535 -0.82255  24.56891 1.000 26.68521 ? 29  PRO A N   1 
ATOM   218  C CA  . PRO A 1 29 ? -20.74541 -0.66922  24.90278 1.000 22.65226 ? 29  PRO A CA  1 
ATOM   219  C C   . PRO A 1 29 ? -21.35617 -2.01285  25.25326 1.000 23.42063 ? 29  PRO A C   1 
ATOM   220  O O   . PRO A 1 29 ? -20.96189 -3.05455  24.72771 1.000 27.86336 ? 29  PRO A O   1 
ATOM   221  C CB  . PRO A 1 29 ? -21.35442 -0.09569  23.62148 1.000 24.54262 ? 29  PRO A CB  1 
ATOM   222  C CG  . PRO A 1 29 ? -20.41599 -0.54858  22.52108 1.000 27.78703 ? 29  PRO A CG  1 
ATOM   223  C CD  . PRO A 1 29 ? -19.05263 -0.60051  23.13865 1.000 24.20146 ? 29  PRO A CD  1 
ATOM   224  N N   . THR A 1 30 ? -22.32284 -1.98204  26.17055 1.000 29.73131 ? 30  THR A N   1 
ATOM   225  C CA  . THR A 1 30 ? -23.00668 -3.18765  26.61515 1.000 33.15675 ? 30  THR A CA  1 
ATOM   226  C C   . THR A 1 30 ? -24.43043 -3.31623  26.08891 1.000 36.02963 ? 30  THR A C   1 
ATOM   227  O O   . THR A 1 30 ? -25.02556 -4.39433  26.21529 1.000 36.97251 ? 30  THR A O   1 
ATOM   228  C CB  . THR A 1 30 ? -23.01370 -3.24360  28.14764 1.000 40.06732 ? 30  THR A CB  1 
ATOM   229  O OG1 . THR A 1 30 ? -23.46233 -1.98553  28.67102 1.000 35.78412 ? 30  THR A OG1 1 
ATOM   230  C CG2 . THR A 1 30 ? -21.61319 -3.52104  28.65665 1.000 43.49660 ? 30  THR A CG2 1 
ATOM   231  N N   . SER A 1 31 ? -24.98658 -2.26400  25.49719 1.000 34.38641 ? 31  SER A N   1 
ATOM   232  C CA  . SER A 1 31 ? -26.29124 -2.34231  24.85649 1.000 35.56943 ? 31  SER A CA  1 
ATOM   233  C C   . SER A 1 31 ? -26.38672 -1.19763  23.86600 1.000 32.81541 ? 31  SER A C   1 
ATOM   234  O O   . SER A 1 31 ? -25.57293 -0.27110  23.88259 1.000 32.15336 ? 31  SER A O   1 
ATOM   235  C CB  . SER A 1 31 ? -27.43821 -2.25571  25.86707 1.000 39.25301 ? 31  SER A CB  1 
ATOM   236  O OG  . SER A 1 31 ? -27.47169 -0.97017  26.45658 1.000 41.69113 ? 31  SER A OG  1 
ATOM   237  N N   . ASP A 1 32 ? -27.41225 -1.25955  23.01373 1.000 36.28911 ? 32  ASP A N   1 
ATOM   238  C CA  . ASP A 1 32 ? -27.63559 -0.20825  22.02843 1.000 36.91739 ? 32  ASP A CA  1 
ATOM   239  C C   . ASP A 1 32 ? -28.04593 1.11667   22.65893 1.000 38.23384 ? 32  ASP A C   1 
ATOM   240  O O   . ASP A 1 32 ? -28.07323 2.13288   21.95520 1.000 37.17666 ? 32  ASP A O   1 
ATOM   241  C CB  . ASP A 1 32 ? -28.69187 -0.65744  21.01539 1.000 38.42482 ? 32  ASP A CB  1 
ATOM   242  C CG  . ASP A 1 32 ? -30.02559 -0.97582  21.66470 1.000 55.56585 ? 32  ASP A CG  1 
ATOM   243  O OD1 . ASP A 1 32 ? -30.04847 -1.79827  22.60623 1.000 59.28918 ? 32  ASP A OD1 1 
ATOM   244  O OD2 . ASP A 1 32 ? -31.05031 -0.40644  21.23188 1.000 70.27371 ? 32  ASP A OD2 1 
ATOM   245  N N   . LYS A 1 33 ? -28.35859 1.13228   23.95474 1.000 37.38068 ? 33  LYS A N   1 
ATOM   246  C CA  . LYS A 1 33 ? -28.65914 2.35539   24.68807 1.000 42.67453 ? 33  LYS A CA  1 
ATOM   247  C C   . LYS A 1 33 ? -27.43018 2.93921   25.37879 1.000 47.92096 ? 33  LYS A C   1 
ATOM   248  O O   . LYS A 1 33 ? -27.56739 3.83363   26.22302 1.000 43.23682 ? 33  LYS A O   1 
ATOM   249  C CB  . LYS A 1 33 ? -29.76809 2.08690   25.71411 1.000 42.25668 ? 33  LYS A CB  1 
ATOM   250  C CG  . LYS A 1 33 ? -31.08571 1.66435   25.07390 1.000 29.93424 ? 33  LYS A CG  1 
ATOM   251  C CD  . LYS A 1 33 ? -32.10492 1.24250   26.10906 0.000 35.16905 ? 33  LYS A CD  1 
ATOM   252  C CE  . LYS A 1 33 ? -33.51243 1.24221   25.53609 0.000 34.84714 ? 33  LYS A CE  1 
ATOM   253  N NZ  . LYS A 1 33 ? -34.51672 0.82490   26.55289 0.000 34.22592 ? 33  LYS A NZ  1 
ATOM   254  N N   . ASP A 1 34 ? -26.23977 2.44479   25.05065 1.000 37.25540 ? 34  ASP A N   1 
ATOM   255  C CA  . ASP A 1 34 ? -24.98542 2.90537   25.63930 1.000 37.65766 ? 34  ASP A CA  1 
ATOM   256  C C   . ASP A 1 34 ? -24.22378 3.62677   24.52927 1.000 41.52836 ? 34  ASP A C   1 
ATOM   257  O O   . ASP A 1 34 ? -23.55334 2.98989   23.71218 1.000 37.89593 ? 34  ASP A O   1 
ATOM   258  C CB  . ASP A 1 34 ? -24.20417 1.72321   26.21799 1.000 29.79215 ? 34  ASP A CB  1 
ATOM   259  C CG  . ASP A 1 34 ? -22.87369 2.13033   26.83296 1.000 36.42576 ? 34  ASP A CG  1 
ATOM   260  O OD1 . ASP A 1 34 ? -22.57495 3.34187   26.88727 1.000 35.86845 ? 34  ASP A OD1 1 
ATOM   261  O OD2 . ASP A 1 34 ? -22.13144 1.22857   27.28574 1.000 36.35768 ? 34  ASP A OD2 1 
ATOM   262  N N   . ASN A 1 35 ? -24.34575 4.95349   24.48870 1.000 32.90328 ? 35  ASN A N   1 
ATOM   263  C CA  . ASN A 1 35 ? -23.71472 5.75760   23.44211 1.000 37.64962 ? 35  ASN A CA  1 
ATOM   264  C C   . ASN A 1 35 ? -22.21366 5.80399   23.70435 1.000 32.31893 ? 35  ASN A C   1 
ATOM   265  O O   . ASN A 1 35 ? -21.73236 6.57652   24.53689 1.000 29.61090 ? 35  ASN A O   1 
ATOM   266  C CB  . ASN A 1 35 ? -24.32135 7.15697   23.40402 1.000 33.27266 ? 35  ASN A CB  1 
ATOM   267  C CG  . ASN A 1 35 ? -23.81364 7.99141   22.23888 1.000 43.67928 ? 35  ASN A CG  1 
ATOM   268  O OD1 . ASN A 1 35 ? -22.75601 7.72177   21.66225 1.000 42.64824 ? 35  ASN A OD1 1 
ATOM   269  N ND2 . ASN A 1 35 ? -24.56953 9.02354   21.89245 1.000 52.02360 ? 35  ASN A ND2 1 
ATOM   270  N N   . TRP A 1 36 ? -21.46308 4.98804   22.96305 1.000 32.26861 ? 36  TRP A N   1 
ATOM   271  C CA  . TRP A 1 36 ? -20.04579 4.81766   23.25476 1.000 31.56243 ? 36  TRP A CA  1 
ATOM   272  C C   . TRP A 1 36 ? -19.25461 6.08524   22.94235 1.000 25.10546 ? 36  TRP A C   1 
ATOM   273  O O   . TRP A 1 36 ? -18.47658 6.56221   23.77653 1.000 25.98194 ? 36  TRP A O   1 
ATOM   274  C CB  . TRP A 1 36 ? -19.50453 3.61993   22.47506 1.000 25.23583 ? 36  TRP A CB  1 
ATOM   275  C CG  . TRP A 1 36 ? -18.11813 3.27379   22.83633 1.000 22.72564 ? 36  TRP A CG  1 
ATOM   276  C CD1 . TRP A 1 36 ? -17.69990 2.56968   23.93300 1.000 22.82889 ? 36  TRP A CD1 1 
ATOM   277  C CD2 . TRP A 1 36 ? -16.94295 3.64395   22.12208 1.000 21.73000 ? 36  TRP A CD2 1 
ATOM   278  N NE1 . TRP A 1 36 ? -16.32905 2.46101   23.92732 1.000 29.59698 ? 36  TRP A NE1 1 
ATOM   279  C CE2 . TRP A 1 36 ? -15.84028 3.11203   22.82282 1.000 24.42733 ? 36  TRP A CE2 1 
ATOM   280  C CE3 . TRP A 1 36 ? -16.71262 4.35751   20.93794 1.000 28.39405 ? 36  TRP A CE3 1 
ATOM   281  C CZ2 . TRP A 1 36 ? -14.52911 3.27965   22.38766 1.000 23.41002 ? 36  TRP A CZ2 1 
ATOM   282  C CZ3 . TRP A 1 36 ? -15.40789 4.52583   20.51090 1.000 30.02795 ? 36  TRP A CZ3 1 
ATOM   283  C CH2 . TRP A 1 36 ? -14.33154 3.99168   21.23902 1.000 25.04566 ? 36  TRP A CH2 1 
ATOM   284  N N   . LEU A 1 37 ? -19.45017 6.65681   21.75160 1.000 33.26016 ? 37  LEU A N   1 
ATOM   285  C CA  . LEU A 1 37 ? -18.67328 7.83438   21.37397 1.000 33.55949 ? 37  LEU A CA  1 
ATOM   286  C C   . LEU A 1 37 ? -18.91240 9.00023   22.32717 1.000 32.66486 ? 37  LEU A C   1 
ATOM   287  O O   . LEU A 1 37 ? -17.98764 9.77263   22.60478 1.000 34.56601 ? 37  LEU A O   1 
ATOM   288  C CB  . LEU A 1 37 ? -19.00148 8.23898   19.93749 1.000 36.02254 ? 37  LEU A CB  1 
ATOM   289  C CG  . LEU A 1 37 ? -17.97450 7.91269   18.85734 1.000 43.36379 ? 37  LEU A CG  1 
ATOM   290  C CD1 . LEU A 1 37 ? -18.32278 8.66348   17.58717 1.000 40.50274 ? 37  LEU A CD1 1 
ATOM   291  C CD2 . LEU A 1 37 ? -16.55948 8.24686   19.31630 1.000 34.55565 ? 37  LEU A CD2 1 
ATOM   292  N N   . ALA A 1 38 ? -20.13265 9.13034   22.85571 1.000 34.12420 ? 38  ALA A N   1 
ATOM   293  C CA  . ALA A 1 38 ? -20.43329 10.22786  23.77222 1.000 36.94193 ? 38  ALA A CA  1 
ATOM   294  C C   . ALA A 1 38 ? -19.59929 10.15471  25.04408 1.000 33.61785 ? 38  ALA A C   1 
ATOM   295  O O   . ALA A 1 38 ? -19.23209 11.19447  25.60285 1.000 41.29253 ? 38  ALA A O   1 
ATOM   296  C CB  . ALA A 1 38 ? -21.92203 10.23553  24.12486 1.000 40.29246 ? 38  ALA A CB  1 
ATOM   297  N N   . ARG A 1 39 ? -19.28351 8.94952   25.51800 1.000 27.99560 ? 39  ARG A N   1 
ATOM   298  C CA  . ARG A 1 39 ? -18.52954 8.79861   26.75207 1.000 34.05833 ? 39  ARG A CA  1 
ATOM   299  C C   . ARG A 1 39 ? -17.08156 8.37722   26.54482 1.000 26.59285 ? 39  ARG A C   1 
ATOM   300  O O   . ARG A 1 39 ? -16.30848 8.39913   27.50931 1.000 28.39640 ? 39  ARG A O   1 
ATOM   301  C CB  . ARG A 1 39 ? -19.23180 7.79401   27.68103 1.000 36.66054 ? 39  ARG A CB  1 
ATOM   302  C CG  . ARG A 1 39 ? -19.39276 6.39227   27.10806 1.000 35.58045 ? 39  ARG A CG  1 
ATOM   303  C CD  . ARG A 1 39 ? -19.70858 5.40154   28.21767 1.000 35.58666 ? 39  ARG A CD  1 
ATOM   304  N NE  . ARG A 1 39 ? -20.00539 4.06526   27.71538 1.000 39.59591 ? 39  ARG A NE  1 
ATOM   305  C CZ  . ARG A 1 39 ? -19.09901 3.10975   27.55971 1.000 34.24459 ? 39  ARG A CZ  1 
ATOM   306  N NH1 . ARG A 1 39 ? -17.82229 3.32116   27.83058 1.000 31.15346 ? 39  ARG A NH1 1 
ATOM   307  N NH2 . ARG A 1 39 ? -19.48534 1.90944   27.12829 1.000 31.62699 ? 39  ARG A NH2 1 
ATOM   308  N N   . ALA A 1 40 ? -16.68030 8.01743   25.32326 1.000 25.61068 ? 40  ALA A N   1 
ATOM   309  C CA  . ALA A 1 40 ? -15.30894 7.56840   25.12433 1.000 25.06194 ? 40  ALA A CA  1 
ATOM   310  C C   . ALA A 1 40 ? -14.33188 8.70616   25.39017 1.000 31.61053 ? 40  ALA A C   1 
ATOM   311  O O   . ALA A 1 40 ? -14.66182 9.88772   25.24968 1.000 28.28476 ? 40  ALA A O   1 
ATOM   312  C CB  . ALA A 1 40 ? -15.11624 7.02441   23.70563 1.000 24.75861 ? 40  ALA A CB  1 
ATOM   313  N N   . THR A 1 41 ? -13.12309 8.33668   25.80063 1.000 24.83378 ? 41  THR A N   1 
ATOM   314  C CA  . THR A 1 41 ? -12.06557 9.31062   26.02582 1.000 28.77683 ? 41  THR A CA  1 
ATOM   315  C C   . THR A 1 41 ? -11.36434 9.61030   24.70848 1.000 36.05909 ? 41  THR A C   1 
ATOM   316  O O   . THR A 1 41 ? -10.89482 8.69476   24.02712 1.000 25.92512 ? 41  THR A O   1 
ATOM   317  C CB  . THR A 1 41 ? -11.04904 8.79064   27.04360 1.000 29.31652 ? 41  THR A CB  1 
ATOM   318  O OG1 . THR A 1 41 ? -11.70188 8.50165   28.29046 1.000 30.29530 ? 41  THR A OG1 1 
ATOM   319  C CG2 . THR A 1 41 ? -9.95963  9.82606   27.28231 1.000 27.60936 ? 41  THR A CG2 1 
ATOM   320  N N   . LEU A 1 42 ? -11.28561 10.88873  24.35322 1.000 31.77273 ? 42  LEU A N   1 
ATOM   321  C CA  . LEU A 1 42 ? -10.51864 11.29753  23.18440 1.000 31.76353 ? 42  LEU A CA  1 
ATOM   322  C C   . LEU A 1 42 ? -9.03515  11.28091  23.52839 1.000 31.63907 ? 42  LEU A C   1 
ATOM   323  O O   . LEU A 1 42 ? -8.59904  11.96807  24.45889 1.000 31.15614 ? 42  LEU A O   1 
ATOM   324  C CB  . LEU A 1 42 ? -10.95232 12.68382  22.71069 1.000 37.40901 ? 42  LEU A CB  1 
ATOM   325  C CG  . LEU A 1 42 ? -10.03839 13.35142  21.67831 1.000 38.38838 ? 42  LEU A CG  1 
ATOM   326  C CD1 . LEU A 1 42 ? -10.27780 12.72718  20.31621 1.000 33.22299 ? 42  LEU A CD1 1 
ATOM   327  C CD2 . LEU A 1 42 ? -10.28273 14.85785  21.62778 1.000 40.85174 ? 42  LEU A CD2 1 
ATOM   328  N N   . ILE A 1 43 ? -8.25551  10.49572  22.78472 1.000 32.95130 ? 43  ILE A N   1 
ATOM   329  C CA  . ILE A 1 43 ? -6.82406  10.37661  23.02664 1.000 27.89246 ? 43  ILE A CA  1 
ATOM   330  C C   . ILE A 1 43 ? -5.99042  10.71088  21.79921 1.000 30.29242 ? 43  ILE A C   1 
ATOM   331  O O   . ILE A 1 43 ? -4.75766  10.67592  21.87238 1.000 27.99084 ? 43  ILE A O   1 
ATOM   332  C CB  . ILE A 1 43 ? -6.45768  8.97569   23.55910 1.000 28.73627 ? 43  ILE A CB  1 
ATOM   333  C CG1 . ILE A 1 43 ? -7.00245  7.88799   22.64078 1.000 26.56192 ? 43  ILE A CG1 1 
ATOM   334  C CG2 . ILE A 1 43 ? -7.00978  8.76966   24.96542 1.000 23.99412 ? 43  ILE A CG2 1 
ATOM   335  C CD1 . ILE A 1 43 ? -6.49836  6.50389   23.01456 1.000 21.20451 ? 43  ILE A CD1 1 
ATOM   336  N N   . GLY A 1 44 ? -6.61942  11.03096  20.67259 1.000 29.34008 ? 44  GLY A N   1 
ATOM   337  C CA  . GLY A 1 44 ? -5.89614  11.49620  19.50411 1.000 34.91466 ? 44  GLY A CA  1 
ATOM   338  C C   . GLY A 1 44 ? -6.76208  12.45294  18.71379 1.000 39.13434 ? 44  GLY A C   1 
ATOM   339  O O   . GLY A 1 44 ? -7.85286  12.08150  18.27336 1.000 39.05706 ? 44  GLY A O   1 
ATOM   340  N N   . ASN A 1 45 ? -6.30697  13.69348  18.55001 1.000 38.42586 ? 45  ASN A N   1 
ATOM   341  C CA  . ASN A 1 45 ? -7.13540  14.72543  17.94223 1.000 50.77465 ? 45  ASN A CA  1 
ATOM   342  C C   . ASN A 1 45 ? -7.03672  14.75586  16.42422 1.000 48.53890 ? 45  ASN A C   1 
ATOM   343  O O   . ASN A 1 45 ? -7.91468  15.33390  15.77278 1.000 61.59725 ? 45  ASN A O   1 
ATOM   344  C CB  . ASN A 1 45 ? -6.76273  16.09944  18.50938 1.000 60.94947 ? 45  ASN A CB  1 
ATOM   345  C CG  . ASN A 1 45 ? -7.75789  17.17755  18.12804 1.000 75.25193 ? 45  ASN A CG  1 
ATOM   346  O OD1 . ASN A 1 45 ? -8.93511  16.89866  17.88910 1.000 65.11821 ? 45  ASN A OD1 1 
ATOM   347  N ND2 . ASN A 1 45 ? -7.28915  18.41911  18.06835 1.000 84.03231 ? 45  ASN A ND2 1 
ATOM   348  N N   . GLY A 1 46 ? -6.00613  14.15332  15.84903 1.000 44.85967 ? 46  GLY A N   1 
ATOM   349  C CA  . GLY A 1 46 ? -5.88460  14.11546  14.40658 1.000 35.69034 ? 46  GLY A CA  1 
ATOM   350  C C   . GLY A 1 46 ? -4.67051  13.31414  13.99408 1.000 44.79416 ? 46  GLY A C   1 
ATOM   351  O O   . GLY A 1 46 ? -3.78028  13.02403  14.80188 1.000 39.42400 ? 46  GLY A O   1 
ATOM   352  N N   . GLY A 1 47 ? -4.64995  12.96217  12.71384 1.000 35.60337 ? 47  GLY A N   1 
ATOM   353  C CA  . GLY A 1 47 ? -3.53663  12.22789  12.16004 1.000 38.87013 ? 47  GLY A CA  1 
ATOM   354  C C   . GLY A 1 47 ? -3.68743  10.72422  12.14936 1.000 35.18172 ? 47  GLY A C   1 
ATOM   355  O O   . GLY A 1 47 ? -2.71857  10.02727  11.82012 1.000 37.36925 ? 47  GLY A O   1 
ATOM   356  N N   . TRP A 1 48 ? -4.86563  10.19976  12.47508 1.000 30.02839 ? 48  TRP A N   1 
ATOM   357  C CA  . TRP A 1 48 ? -5.04857  8.75369   12.57183 1.000 28.98620 ? 48  TRP A CA  1 
ATOM   358  C C   . TRP A 1 48 ? -5.71354  8.15571   11.34575 1.000 42.40020 ? 48  TRP A C   1 
ATOM   359  O O   . TRP A 1 48 ? -5.38257  7.02894   10.96821 1.000 27.69995 ? 48  TRP A O   1 
ATOM   360  C CB  . TRP A 1 48 ? -5.86575  8.40563   13.80979 1.000 26.31124 ? 48  TRP A CB  1 
ATOM   361  C CG  . TRP A 1 48 ? -5.19310  8.86245   15.04585 1.000 29.35398 ? 48  TRP A CG  1 
ATOM   362  C CD1 . TRP A 1 48 ? -5.41511  10.03379  15.70528 1.000 32.28207 ? 48  TRP A CD1 1 
ATOM   363  C CD2 . TRP A 1 48 ? -4.16704  8.17464   15.77575 1.000 25.83168 ? 48  TRP A CD2 1 
ATOM   364  N NE1 . TRP A 1 48 ? -4.59712  10.11874  16.80013 1.000 27.45047 ? 48  TRP A NE1 1 
ATOM   365  C CE2 . TRP A 1 48 ? -3.82203  8.99056   16.87122 1.000 24.70466 ? 48  TRP A CE2 1 
ATOM   366  C CE3 . TRP A 1 48 ? -3.51086  6.94831   15.61339 1.000 25.80447 ? 48  TRP A CE3 1 
ATOM   367  C CZ2 . TRP A 1 48 ? -2.84269  8.62439   17.80843 1.000 26.57503 ? 48  TRP A CZ2 1 
ATOM   368  C CZ3 . TRP A 1 48 ? -2.53999  6.58352   16.54101 1.000 22.05773 ? 48  TRP A CZ3 1 
ATOM   369  C CH2 . TRP A 1 48 ? -2.21785  7.42117   17.62891 1.000 25.46128 ? 48  TRP A CH2 1 
ATOM   370  O OXT . TRP A 1 48 ? -6.58596  8.77511   10.73494 1.000 34.61988 ? 48  TRP A OXT 1 
ATOM   371  N N   . SER B 1 2  ? -22.42387 -5.92643  2.29988  0.000 34.71415 ? 2   SER B N   1 
ATOM   372  C CA  . SER B 1 2  ? -22.61645 -7.37018  2.23195  0.000 34.29424 ? 2   SER B CA  1 
ATOM   373  C C   . SER B 1 2  ? -22.22393 -8.03671  3.54531  0.000 34.26881 ? 2   SER B C   1 
ATOM   374  O O   . SER B 1 2  ? -23.05404 -8.21758  4.43692  0.000 34.62603 ? 2   SER B O   1 
ATOM   375  C CB  . SER B 1 2  ? -21.80468 -7.96755  1.08064  0.000 34.36932 ? 2   SER B CB  1 
ATOM   376  O OG  . SER B 1 2  ? -20.44022 -7.59484  1.17121  0.000 34.26848 ? 2   SER B OG  1 
ATOM   377  N N   . GLY B 1 3  ? -20.94811 -8.39895  3.65229  1.000 32.93649 ? 3   GLY B N   1 
ATOM   378  C CA  . GLY B 1 3  ? -20.42133 -9.05467  4.83602  1.000 34.17079 ? 3   GLY B CA  1 
ATOM   379  C C   . GLY B 1 3  ? -20.11963 -8.07685  5.95140  1.000 32.36746 ? 3   GLY B C   1 
ATOM   380  O O   . GLY B 1 3  ? -20.78283 -7.04501  6.10115  1.000 33.68404 ? 3   GLY B O   1 
ATOM   381  N N   . PHE B 1 4  ? -19.09842 -8.39985  6.74686  1.000 29.09012 ? 4   PHE B N   1 
ATOM   382  C CA  . PHE B 1 4  ? -18.73343 -7.59494  7.90656  1.000 23.10868 ? 4   PHE B CA  1 
ATOM   383  C C   . PHE B 1 4  ? -17.68654 -6.55054  7.53873  1.000 20.14690 ? 4   PHE B C   1 
ATOM   384  O O   . PHE B 1 4  ? -16.84958 -6.75824  6.65448  1.000 21.81283 ? 4   PHE B O   1 
ATOM   385  C CB  . PHE B 1 4  ? -18.20052 -8.47521  9.04500  1.000 25.10492 ? 4   PHE B CB  1 
ATOM   386  C CG  . PHE B 1 4  ? -19.27206 -9.17248  9.82691  1.000 25.95740 ? 4   PHE B CG  1 
ATOM   387  C CD1 . PHE B 1 4  ? -20.02815 -10.18505 9.25083  1.000 34.24399 ? 4   PHE B CD1 1 
ATOM   388  C CD2 . PHE B 1 4  ? -19.53021 -8.81665  11.14093 1.000 20.82895 ? 4   PHE B CD2 1 
ATOM   389  C CE1 . PHE B 1 4  ? -21.02540 -10.82491 9.97481  1.000 38.23097 ? 4   PHE B CE1 1 
ATOM   390  C CE2 . PHE B 1 4  ? -20.53541 -9.45631  11.87365 1.000 23.50398 ? 4   PHE B CE2 1 
ATOM   391  C CZ  . PHE B 1 4  ? -21.27296 -10.46263 11.29238 1.000 28.85729 ? 4   PHE B CZ  1 
ATOM   392  N N   . LYS B 1 5  ? -17.73921 -5.41711  8.24120  1.000 18.80526 ? 5   LYS B N   1 
ATOM   393  C CA  . LYS B 1 5  ? -16.77311 -4.34273  8.07929  1.000 22.39744 ? 5   LYS B CA  1 
ATOM   394  C C   . LYS B 1 5  ? -15.59261 -4.51958  9.03009  1.000 20.18334 ? 5   LYS B C   1 
ATOM   395  O O   . LYS B 1 5  ? -14.44696 -4.24656  8.65647  1.000 22.26119 ? 5   LYS B O   1 
ATOM   396  C CB  . LYS B 1 5  ? -17.45686 -2.99047  8.30509  1.000 24.29860 ? 5   LYS B CB  1 
ATOM   397  C CG  . LYS B 1 5  ? -16.51736 -1.78819  8.24686  1.000 30.24689 ? 5   LYS B CG  1 
ATOM   398  C CD  . LYS B 1 5  ? -17.29159 -0.46953  8.30820  1.000 37.08987 ? 5   LYS B CD  1 
ATOM   399  C CE  . LYS B 1 5  ? -16.36831 0.70480   8.61430  1.000 34.69140 ? 5   LYS B CE  1 
ATOM   400  N NZ  . LYS B 1 5  ? -17.11451 1.93998   8.97669  1.000 45.03243 ? 5   LYS B NZ  1 
ATOM   401  N N   . PHE B 1 6  ? -15.86321 -4.96354  10.25889 1.000 21.90213 ? 6   PHE B N   1 
ATOM   402  C CA  . PHE B 1 6  ? -14.84659 -5.37415  11.22221 1.000 20.39001 ? 6   PHE B CA  1 
ATOM   403  C C   . PHE B 1 6  ? -15.26984 -6.69995  11.82814 1.000 24.50431 ? 6   PHE B C   1 
ATOM   404  O O   . PHE B 1 6  ? -16.46105 -6.96413  11.99044 1.000 19.00394 ? 6   PHE B O   1 
ATOM   405  C CB  . PHE B 1 6  ? -14.66400 -4.35950  12.36190 1.000 15.77784 ? 6   PHE B CB  1 
ATOM   406  C CG  . PHE B 1 6  ? -14.24887 -2.99886  11.89891 1.000 22.85633 ? 6   PHE B CG  1 
ATOM   407  C CD1 . PHE B 1 6  ? -12.93757 -2.75082  11.52363 1.000 20.99639 ? 6   PHE B CD1 1 
ATOM   408  C CD2 . PHE B 1 6  ? -15.16963 -1.96112  11.84282 1.000 19.75982 ? 6   PHE B CD2 1 
ATOM   409  C CE1 . PHE B 1 6  ? -12.54928 -1.49138  11.08430 1.000 20.90657 ? 6   PHE B CE1 1 
ATOM   410  C CE2 . PHE B 1 6  ? -14.78440 -0.69876  11.40981 1.000 23.83622 ? 6   PHE B CE2 1 
ATOM   411  C CZ  . PHE B 1 6  ? -13.47363 -0.46409  11.03424 1.000 22.35799 ? 6   PHE B CZ  1 
ATOM   412  N N   . LEU B 1 7  ? -14.28710 -7.52059  12.20027 1.000 19.44394 ? 7   LEU B N   1 
ATOM   413  C CA  . LEU B 1 7  ? -14.56146 -8.80454  12.84362 1.000 16.11154 ? 7   LEU B CA  1 
ATOM   414  C C   . LEU B 1 7  ? -13.35042 -9.11998  13.71197 1.000 19.36651 ? 7   LEU B C   1 
ATOM   415  O O   . LEU B 1 7  ? -12.25529 -9.30933  13.17385 1.000 18.10243 ? 7   LEU B O   1 
ATOM   416  C CB  . LEU B 1 7  ? -14.79932 -9.89573  11.80597 1.000 18.80538 ? 7   LEU B CB  1 
ATOM   417  C CG  . LEU B 1 7  ? -15.26210 -11.25561 12.31724 1.000 20.77657 ? 7   LEU B CG  1 
ATOM   418  C CD1 . LEU B 1 7  ? -16.67284 -11.16889 12.91172 1.000 21.68279 ? 7   LEU B CD1 1 
ATOM   419  C CD2 . LEU B 1 7  ? -15.22091 -12.26104 11.18827 1.000 19.86664 ? 7   LEU B CD2 1 
ATOM   420  N N   . PHE B 1 8  ? -13.52300 -9.15989  15.03597 1.000 15.98131 ? 8   PHE B N   1 
ATOM   421  C CA  . PHE B 1 8  ? -12.33892 -9.17602  15.90318 1.000 18.28181 ? 8   PHE B CA  1 
ATOM   422  C C   . PHE B 1 8  ? -12.70689 -9.67689  17.29605 1.000 19.47653 ? 8   PHE B C   1 
ATOM   423  O O   . PHE B 1 8  ? -13.87287 -9.65444  17.69294 1.000 19.31768 ? 8   PHE B O   1 
ATOM   424  C CB  . PHE B 1 8  ? -11.69559 -7.77946  15.98470 1.000 14.42475 ? 8   PHE B CB  1 
ATOM   425  C CG  . PHE B 1 8  ? -12.65161 -6.67953  16.42175 1.000 16.98942 ? 8   PHE B CG  1 
ATOM   426  C CD1 . PHE B 1 8  ? -13.59194 -6.15967  15.54315 1.000 21.13810 ? 8   PHE B CD1 1 
ATOM   427  C CD2 . PHE B 1 8  ? -12.59209 -6.16580  17.71157 1.000 19.15540 ? 8   PHE B CD2 1 
ATOM   428  C CE1 . PHE B 1 8  ? -14.45795 -5.14992  15.93038 1.000 19.13698 ? 8   PHE B CE1 1 
ATOM   429  C CE2 . PHE B 1 8  ? -13.45180 -5.15285  18.11424 1.000 22.44039 ? 8   PHE B CE2 1 
ATOM   430  C CZ  . PHE B 1 8  ? -14.39009 -4.64538  17.22714 1.000 19.51348 ? 8   PHE B CZ  1 
ATOM   431  N N   . PHE B 1 9  ? -11.68972 -10.11325 18.05109 1.000 16.14893 ? 9   PHE B N   1 
ATOM   432  C CA  . PHE B 1 9  ? -11.91131 -10.63976 19.39967 1.000 17.70540 ? 9   PHE B CA  1 
ATOM   433  C C   . PHE B 1 9  ? -11.55693 -9.62716  20.48513 1.000 18.84357 ? 9   PHE B C   1 
ATOM   434  O O   . PHE B 1 9  ? -10.58307 -8.88027  20.36498 1.000 19.45644 ? 9   PHE B O   1 
ATOM   435  C CB  . PHE B 1 9  ? -11.08540 -11.90904 19.64103 1.000 19.67025 ? 9   PHE B CB  1 
ATOM   436  C CG  . PHE B 1 9  ? -11.74923 -13.15661 19.16577 1.000 17.81307 ? 9   PHE B CG  1 
ATOM   437  C CD1 . PHE B 1 9  ? -12.74596 -13.74934 19.91598 1.000 18.62034 ? 9   PHE B CD1 1 
ATOM   438  C CD2 . PHE B 1 9  ? -11.37346 -13.74757 17.95931 1.000 17.70210 ? 9   PHE B CD2 1 
ATOM   439  C CE1 . PHE B 1 9  ? -13.37369 -14.90593 19.47742 1.000 20.79307 ? 9   PHE B CE1 1 
ATOM   440  C CE2 . PHE B 1 9  ? -11.98134 -14.90725 17.52470 1.000 18.63339 ? 9   PHE B CE2 1 
ATOM   441  C CZ  . PHE B 1 9  ? -12.99266 -15.48544 18.27989 1.000 20.91631 ? 9   PHE B CZ  1 
ATOM   442  N N   . SER B 1 10 ? -12.35994 -9.61702  21.56218 1.000 16.71526 ? 10  SER B N   1 
ATOM   443  C CA  . SER B 1 10 ? -11.94678 -9.01212  22.82194 1.000 16.23990 ? 10  SER B CA  1 
ATOM   444  C C   . SER B 1 10 ? -11.07339 -10.00184 23.58087 1.000 19.95985 ? 10  SER B C   1 
ATOM   445  O O   . SER B 1 10 ? -11.17107 -11.21065 23.36735 1.000 20.70565 ? 10  SER B O   1 
ATOM   446  C CB  . SER B 1 10 ? -13.17018 -8.65546  23.65946 1.000 25.17180 ? 10  SER B CB  1 
ATOM   447  O OG  . SER B 1 10 ? -13.70834 -9.82597  24.24157 1.000 27.80230 ? 10  SER B OG  1 
ATOM   448  N N   . PRO B 1 11 ? -10.22611 -9.52831  24.50113 1.000 21.47206 ? 11  PRO B N   1 
ATOM   449  C CA  . PRO B 1 11 ? -9.30533  -10.46144 25.17417 1.000 20.03898 ? 11  PRO B CA  1 
ATOM   450  C C   . PRO B 1 11 ? -10.00726 -11.47738 26.06949 1.000 25.69351 ? 11  PRO B C   1 
ATOM   451  O O   . PRO B 1 11 ? -9.37027  -12.46107 26.47198 1.000 23.40878 ? 11  PRO B O   1 
ATOM   452  C CB  . PRO B 1 11 ? -8.37423  -9.53984  25.98218 1.000 28.92551 ? 11  PRO B CB  1 
ATOM   453  C CG  . PRO B 1 11 ? -9.01629  -8.21249  26.01419 1.000 25.38828 ? 11  PRO B CG  1 
ATOM   454  C CD  . PRO B 1 11 ? -9.92052  -8.11783  24.80549 1.000 19.09786 ? 11  PRO B CD  1 
ATOM   455  N N   . ASP B 1 12 ? -11.28992 -11.29773 26.37782 1.000 23.43772 ? 12  ASP B N   1 
ATOM   456  C CA  . ASP B 1 12 ? -12.00576 -12.29671 27.15941 1.000 21.67303 ? 12  ASP B CA  1 
ATOM   457  C C   . ASP B 1 12 ? -12.63564 -13.38296 26.29751 1.000 25.97100 ? 12  ASP B C   1 
ATOM   458  O O   . ASP B 1 12 ? -13.29923 -14.27759 26.83380 1.000 28.69952 ? 12  ASP B O   1 
ATOM   459  C CB  . ASP B 1 12 ? -13.05546 -11.62733 28.05834 1.000 25.55263 ? 12  ASP B CB  1 
ATOM   460  C CG  . ASP B 1 12 ? -14.29598 -11.15937 27.30552 1.000 36.47822 ? 12  ASP B CG  1 
ATOM   461  O OD1 . ASP B 1 12 ? -14.38817 -11.31185 26.07462 1.000 31.38838 ? 12  ASP B OD1 1 
ATOM   462  O OD2 . ASP B 1 12 ? -15.20872 -10.63323 27.97527 1.000 44.93582 ? 12  ASP B OD2 1 
ATOM   463  N N   . GLY B 1 13 ? -12.43606 -13.33247 24.98448 1.000 21.98271 ? 13  GLY B N   1 
ATOM   464  C CA  . GLY B 1 13 ? -12.85364 -14.40016 24.10808 1.000 18.38326 ? 13  GLY B CA  1 
ATOM   465  C C   . GLY B 1 13 ? -14.14892 -14.14186 23.37886 1.000 21.99015 ? 13  GLY B C   1 
ATOM   466  O O   . GLY B 1 13 ? -14.62245 -15.03265 22.66546 1.000 23.44022 ? 13  GLY B O   1 
ATOM   467  N N   . THR B 1 14 ? -14.72900 -12.95637 23.53917 1.000 22.41929 ? 14  THR B N   1 
ATOM   468  C CA  . THR B 1 14 ? -15.97764 -12.60734 22.87342 1.000 18.30689 ? 14  THR B CA  1 
ATOM   469  C C   . THR B 1 14 ? -15.69244 -12.09132 21.47208 1.000 19.94151 ? 14  THR B C   1 
ATOM   470  O O   . THR B 1 14 ? -14.79472 -11.26694 21.27654 1.000 19.52554 ? 14  THR B O   1 
ATOM   471  C CB  . THR B 1 14 ? -16.72154 -11.52569 23.66099 1.000 21.44344 ? 14  THR B CB  1 
ATOM   472  O OG1 . THR B 1 14 ? -16.97604 -11.98418 24.99504 1.000 24.95561 ? 14  THR B OG1 1 
ATOM   473  C CG2 . THR B 1 14 ? -18.05398 -11.18069 22.97771 1.000 22.52321 ? 14  THR B CG2 1 
ATOM   474  N N   . LEU B 1 15 ? -16.48188 -12.55441 20.50110 1.000 18.78983 ? 15  LEU B N   1 
ATOM   475  C CA  . LEU B 1 15 ? -16.34237 -12.11868 19.11622 1.000 18.55988 ? 15  LEU B CA  1 
ATOM   476  C C   . LEU B 1 15 ? -17.18276 -10.86530 18.89136 1.000 22.89917 ? 15  LEU B C   1 
ATOM   477  O O   . LEU B 1 15 ? -18.34347 -10.80434 19.30933 1.000 22.11362 ? 15  LEU B O   1 
ATOM   478  C CB  . LEU B 1 15 ? -16.76866 -13.23046 18.15361 1.000 21.28287 ? 15  LEU B CB  1 
ATOM   479  C CG  . LEU B 1 15 ? -16.61444 -12.92329 16.65378 1.000 16.40278 ? 15  LEU B CG  1 
ATOM   480  C CD1 . LEU B 1 15 ? -15.13894 -12.82330 16.28105 1.000 20.27475 ? 15  LEU B CD1 1 
ATOM   481  C CD2 . LEU B 1 15 ? -17.29721 -13.98236 15.81742 1.000 18.23689 ? 15  LEU B CD2 1 
ATOM   482  N N   . TYR B 1 16 ? -16.57818 -9.85586  18.27295 1.000 18.99644 ? 16  TYR B N   1 
ATOM   483  C CA  . TYR B 1 16 ? -17.24239 -8.60423  17.94548 1.000 20.92665 ? 16  TYR B CA  1 
ATOM   484  C C   . TYR B 1 16 ? -17.26458 -8.42588  16.43242 1.000 21.35176 ? 16  TYR B C   1 
ATOM   485  O O   . TYR B 1 16 ? -16.32817 -8.81829  15.72902 1.000 20.78508 ? 16  TYR B O   1 
ATOM   486  C CB  . TYR B 1 16 ? -16.53309 -7.39493  18.58373 1.000 23.09393 ? 16  TYR B CB  1 
ATOM   487  C CG  . TYR B 1 16 ? -16.77860 -7.18818  20.07639 1.000 19.78746 ? 16  TYR B CG  1 
ATOM   488  C CD1 . TYR B 1 16 ? -16.32438 -8.10270  21.02514 1.000 23.98900 ? 16  TYR B CD1 1 
ATOM   489  C CD2 . TYR B 1 16 ? -17.45036 -6.05879  20.53160 1.000 23.80167 ? 16  TYR B CD2 1 
ATOM   490  C CE1 . TYR B 1 16 ? -16.55269 -7.89745  22.39765 1.000 21.92373 ? 16  TYR B CE1 1 
ATOM   491  C CE2 . TYR B 1 16 ? -17.68251 -5.85036  21.88531 1.000 21.80831 ? 16  TYR B CE2 1 
ATOM   492  C CZ  . TYR B 1 16 ? -17.23422 -6.76226  22.81089 1.000 22.65970 ? 16  TYR B CZ  1 
ATOM   493  O OH  . TYR B 1 16 ? -17.47081 -6.52465  24.14946 1.000 22.53872 ? 16  TYR B OH  1 
ATOM   494  N N   . GLY B 1 17 ? -18.32531 -7.80354  15.92779 1.000 20.47130 ? 17  GLY B N   1 
ATOM   495  C CA  . GLY B 1 17 ? -18.39174 -7.57415  14.49757 1.000 20.94785 ? 17  GLY B CA  1 
ATOM   496  C C   . GLY B 1 17 ? -19.23379 -6.36429  14.17769 1.000 23.19474 ? 17  GLY B C   1 
ATOM   497  O O   . GLY B 1 17 ? -20.21907 -6.09954  14.87149 1.000 22.65372 ? 17  GLY B O   1 
ATOM   498  N N   . VAL B 1 18 ? -18.84005 -5.60860  13.15851 1.000 22.05307 ? 18  VAL B N   1 
ATOM   499  C CA  . VAL B 1 18 ? -19.65129 -4.52230  12.61439 1.000 22.49427 ? 18  VAL B CA  1 
ATOM   500  C C   . VAL B 1 18 ? -20.27004 -5.01370  11.31448 1.000 24.30032 ? 18  VAL B C   1 
ATOM   501  O O   . VAL B 1 18 ? -19.55750 -5.42841  10.39447 1.000 19.98554 ? 18  VAL B O   1 
ATOM   502  C CB  . VAL B 1 18 ? -18.81876 -3.25082  12.38605 1.000 23.43794 ? 18  VAL B CB  1 
ATOM   503  C CG1 . VAL B 1 18 ? -19.65063 -2.18860  11.63703 1.000 22.02096 ? 18  VAL B CG1 1 
ATOM   504  C CG2 . VAL B 1 18 ? -18.31275 -2.70683  13.71310 1.000 22.06548 ? 18  VAL B CG2 1 
ATOM   505  N N   . HIS B 1 19 ? -21.59788 -4.98001  11.24000 1.000 22.31641 ? 19  HIS B N   1 
ATOM   506  C CA  . HIS B 1 19 ? -22.31639 -5.44467  10.05993 1.000 23.36050 ? 19  HIS B CA  1 
ATOM   507  C C   . HIS B 1 19 ? -23.40688 -4.42997  9.76785  1.000 27.44520 ? 19  HIS B C   1 
ATOM   508  O O   . HIS B 1 19 ? -24.21642 -4.12850  10.64816 1.000 25.33161 ? 19  HIS B O   1 
ATOM   509  C CB  . HIS B 1 19 ? -22.90043 -6.84010  10.29424 1.000 25.00776 ? 19  HIS B CB  1 
ATOM   510  C CG  . HIS B 1 19 ? -23.79201 -7.32622  9.19428  1.000 32.62076 ? 19  HIS B CG  1 
ATOM   511  N ND1 . HIS B 1 19 ? -23.31731 -8.01468  8.09860  1.000 39.18326 ? 19  HIS B ND1 1 
ATOM   512  C CD2 . HIS B 1 19 ? -25.13570 -7.25029  9.03789  1.000 35.73511 ? 19  HIS B CD2 1 
ATOM   513  C CE1 . HIS B 1 19 ? -24.32791 -8.32689  7.30492  1.000 36.29643 ? 19  HIS B CE1 1 
ATOM   514  N NE2 . HIS B 1 19 ? -25.44262 -7.87891  7.85503  1.000 36.24327 ? 19  HIS B NE2 1 
ATOM   515  N N   . ASN B 1 20 ? -23.40387 -3.88913  8.55071  1.000 29.03071 ? 20  ASN B N   1 
ATOM   516  C CA  . ASN B 1 20 ? -24.36075 -2.86572  8.13060  1.000 31.44593 ? 20  ASN B CA  1 
ATOM   517  C C   . ASN B 1 20 ? -24.49161 -1.76584  9.18281  1.000 38.85195 ? 20  ASN B C   1 
ATOM   518  O O   . ASN B 1 20 ? -25.58417 -1.45454  9.66631  1.000 34.44172 ? 20  ASN B O   1 
ATOM   519  C CB  . ASN B 1 20 ? -25.71845 -3.49000  7.80120  1.000 35.94503 ? 20  ASN B CB  1 
ATOM   520  C CG  . ASN B 1 20 ? -25.64950 -4.44528  6.61693  1.000 34.21144 ? 20  ASN B CG  1 
ATOM   521  O OD1 . ASN B 1 20 ? -24.75339 -4.34892  5.78075  1.000 42.67304 ? 20  ASN B OD1 1 
ATOM   522  N ND2 . ASN B 1 20 ? -26.60815 -5.36291  6.53607  1.000 39.66943 ? 20  ASN B ND2 1 
ATOM   523  N N   . ASP B 1 21 ? -23.34159 -1.19345  9.55308  1.000 31.48329 ? 21  ASP B N   1 
ATOM   524  C CA  . ASP B 1 21 ? -23.19530 -0.05615  10.46164 1.000 32.50102 ? 21  ASP B CA  1 
ATOM   525  C C   . ASP B 1 21 ? -23.61040 -0.35138  11.89928 1.000 35.21814 ? 21  ASP B C   1 
ATOM   526  O O   . ASP B 1 21 ? -23.64224 0.57073   12.71990 1.000 32.24265 ? 21  ASP B O   1 
ATOM   527  C CB  . ASP B 1 21 ? -23.95657 1.17747   9.95589  1.000 41.90253 ? 21  ASP B CB  1 
ATOM   528  C CG  . ASP B 1 21 ? -23.76992 1.41035   8.45996  1.000 50.24328 ? 21  ASP B CG  1 
ATOM   529  O OD1 . ASP B 1 21 ? -22.63100 1.24921   7.96766  1.000 53.08807 ? 21  ASP B OD1 1 
ATOM   530  O OD2 . ASP B 1 21 ? -24.76131 1.74454   7.77284  1.000 58.63022 ? 21  ASP B OD2 1 
ATOM   531  N N   . LYS B 1 22 ? -23.89465 -1.60301  12.24140 1.000 25.25015 ? 22  LYS B N   1 
ATOM   532  C CA  . LYS B 1 22 ? -24.27422 -1.98140  13.59319 1.000 25.60266 ? 22  LYS B CA  1 
ATOM   533  C C   . LYS B 1 22 ? -23.18560 -2.84001  14.22934 1.000 29.03282 ? 22  LYS B C   1 
ATOM   534  O O   . LYS B 1 22 ? -22.49289 -3.59336  13.54233 1.000 24.63159 ? 22  LYS B O   1 
ATOM   535  C CB  . LYS B 1 22 ? -25.60094 -2.73588  13.59131 1.000 25.72345 ? 22  LYS B CB  1 
ATOM   536  C CG  . LYS B 1 22 ? -26.76145 -1.86352  13.12598 1.000 31.56729 ? 22  LYS B CG  1 
ATOM   537  C CD  . LYS B 1 22 ? -27.99543 -2.68540  12.80588 1.000 38.19958 ? 22  LYS B CD  1 
ATOM   538  C CE  . LYS B 1 22 ? -27.97599 -3.13531  11.35454 1.000 40.06357 ? 22  LYS B CE  1 
ATOM   539  N NZ  . LYS B 1 22 ? -28.34701 -2.03561  10.42075 1.000 34.68335 ? 22  LYS B NZ  1 
ATOM   540  N N   . LEU B 1 23 ? -23.04959 -2.72276  15.55032 1.000 28.29327 ? 23  LEU B N   1 
ATOM   541  C CA  . LEU B 1 23 ? -22.05288 -3.46583  16.31866 1.000 22.18168 ? 23  LEU B CA  1 
ATOM   542  C C   . LEU B 1 23 ? -22.72040 -4.61605  17.06325 1.000 29.50145 ? 23  LEU B C   1 
ATOM   543  O O   . LEU B 1 23 ? -23.73105 -4.41554  17.74912 1.000 25.01404 ? 23  LEU B O   1 
ATOM   544  C CB  . LEU B 1 23 ? -21.33301 -2.54633  17.30818 1.000 21.20824 ? 23  LEU B CB  1 
ATOM   545  C CG  . LEU B 1 23 ? -20.18988 -3.13753  18.13252 1.000 21.72386 ? 23  LEU B CG  1 
ATOM   546  C CD1 . LEU B 1 23 ? -19.03377 -3.57815  17.23081 1.000 21.17486 ? 23  LEU B CD1 1 
ATOM   547  C CD2 . LEU B 1 23 ? -19.70596 -2.11991  19.14464 1.000 22.86086 ? 23  LEU B CD2 1 
ATOM   548  N N   . TYR B 1 24 ? -22.14101 -5.81262  16.93541 1.000 22.92141 ? 24  TYR B N   1 
ATOM   549  C CA  . TYR B 1 24 ? -22.64112 -7.04106  17.54122 1.000 21.69813 ? 24  TYR B CA  1 
ATOM   550  C C   . TYR B 1 24 ? -21.53989 -7.70556  18.34951 1.000 28.09337 ? 24  TYR B C   1 
ATOM   551  O O   . TYR B 1 24 ? -20.36298 -7.58999  18.00598 1.000 22.02270 ? 24  TYR B O   1 
ATOM   552  C CB  . TYR B 1 24 ? -23.08859 -8.04640  16.49402 1.000 24.39983 ? 24  TYR B CB  1 
ATOM   553  C CG  . TYR B 1 24 ? -24.21512 -7.54788  15.63915 1.000 21.96482 ? 24  TYR B CG  1 
ATOM   554  C CD1 . TYR B 1 24 ? -23.96063 -6.79430  14.50686 1.000 23.46764 ? 24  TYR B CD1 1 
ATOM   555  C CD2 . TYR B 1 24 ? -25.53488 -7.81286  15.97577 1.000 25.42877 ? 24  TYR B CD2 1 
ATOM   556  C CE1 . TYR B 1 24 ? -24.98568 -6.33088  13.71357 1.000 26.51406 ? 24  TYR B CE1 1 
ATOM   557  C CE2 . TYR B 1 24 ? -26.57697 -7.35119  15.17926 1.000 26.30593 ? 24  TYR B CE2 1 
ATOM   558  C CZ  . TYR B 1 24 ? -26.29256 -6.60811  14.05722 1.000 32.89321 ? 24  TYR B CZ  1 
ATOM   559  O OH  . TYR B 1 24 ? -27.30957 -6.13226  13.25795 1.000 29.84773 ? 24  TYR B OH  1 
ATOM   560  N N   . LYS B 1 25 ? -21.93340 -8.45517  19.38492 1.000 20.30181 ? 25  LYS B N   1 
ATOM   561  C CA  . LYS B 1 25 ? -20.98918 -9.28338  20.12515 1.000 22.59228 ? 25  LYS B CA  1 
ATOM   562  C C   . LYS B 1 25 ? -21.63715 -10.59943 20.52913 1.000 25.84551 ? 25  LYS B C   1 
ATOM   563  O O   . LYS B 1 25 ? -22.85761 -10.69373 20.69731 1.000 26.41499 ? 25  LYS B O   1 
ATOM   564  C CB  . LYS B 1 25 ? -20.46126 -8.57036  21.37348 1.000 21.44843 ? 25  LYS B CB  1 
ATOM   565  C CG  . LYS B 1 25 ? -21.50030 -8.44909  22.48038 1.000 20.51590 ? 25  LYS B CG  1 
ATOM   566  C CD  . LYS B 1 25 ? -20.87844 -7.92672  23.77327 1.000 25.13623 ? 25  LYS B CD  1 
ATOM   567  C CE  . LYS B 1 25 ? -21.83318 -8.07553  24.94934 1.000 27.59375 ? 25  LYS B CE  1 
ATOM   568  N NZ  . LYS B 1 25 ? -21.22036 -7.54909  26.19317 1.000 31.67517 ? 25  LYS B NZ  1 
ATOM   569  N N   . GLY B 1 26 ? -20.80182 -11.61470 20.69464 1.000 19.46457 ? 26  GLY B N   1 
ATOM   570  C CA  . GLY B 1 26 ? -21.26547 -12.89298 21.19750 1.000 24.91925 ? 26  GLY B CA  1 
ATOM   571  C C   . GLY B 1 26 ? -20.11859 -13.87754 21.20555 1.000 25.75389 ? 26  GLY B C   1 
ATOM   572  O O   . GLY B 1 26 ? -19.04638 -13.62424 20.64424 1.000 26.78354 ? 26  GLY B O   1 
ATOM   573  N N   . THR B 1 27 ? -20.35665 -15.01405 21.84709 1.000 22.90709 ? 27  THR B N   1 
ATOM   574  C CA  . THR B 1 27 ? -19.38753 -16.09055 21.74495 1.000 22.40831 ? 27  THR B CA  1 
ATOM   575  C C   . THR B 1 27 ? -19.23630 -16.47496 20.27143 1.000 24.08405 ? 27  THR B C   1 
ATOM   576  O O   . THR B 1 27 ? -20.22321 -16.45458 19.51991 1.000 24.38154 ? 27  THR B O   1 
ATOM   577  C CB  . THR B 1 27 ? -19.81284 -17.30534 22.56997 1.000 26.19014 ? 27  THR B CB  1 
ATOM   578  O OG1 . THR B 1 27 ? -21.05515 -17.81331 22.07208 1.000 25.92136 ? 27  THR B OG1 1 
ATOM   579  C CG2 . THR B 1 27 ? -19.97634 -16.92922 24.04042 1.000 34.03200 ? 27  THR B CG2 1 
ATOM   580  N N   . PRO B 1 28 ? -18.03230 -16.80622 19.81788 1.000 24.00460 ? 28  PRO B N   1 
ATOM   581  C CA  . PRO B 1 28 ? -17.83023 -17.09794 18.39153 1.000 23.57753 ? 28  PRO B CA  1 
ATOM   582  C C   . PRO B 1 28 ? -18.60953 -18.33238 17.97766 1.000 21.68213 ? 28  PRO B C   1 
ATOM   583  O O   . PRO B 1 28 ? -18.91416 -19.19778 18.81316 1.000 24.69507 ? 28  PRO B O   1 
ATOM   584  C CB  . PRO B 1 28 ? -16.31366 -17.33131 18.29106 1.000 23.88191 ? 28  PRO B CB  1 
ATOM   585  C CG  . PRO B 1 28 ? -15.92165 -17.79013 19.66762 1.000 23.38520 ? 28  PRO B CG  1 
ATOM   586  C CD  . PRO B 1 28 ? -16.78504 -16.95386 20.58880 1.000 24.40915 ? 28  PRO B CD  1 
ATOM   587  N N   . PRO B 1 29 ? -18.95823 -18.45232 16.69809 1.000 23.31739 ? 29  PRO B N   1 
ATOM   588  C CA  . PRO B 1 29 ? -19.70586 -19.63704 16.25651 1.000 27.13957 ? 29  PRO B CA  1 
ATOM   589  C C   . PRO B 1 29 ? -18.86369 -20.89023 16.41235 1.000 29.14696 ? 29  PRO B C   1 
ATOM   590  O O   . PRO B 1 29 ? -17.65092 -20.87149 16.19717 1.000 32.72049 ? 29  PRO B O   1 
ATOM   591  C CB  . PRO B 1 29 ? -20.00219 -19.34595 14.77877 1.000 26.33567 ? 29  PRO B CB  1 
ATOM   592  C CG  . PRO B 1 29 ? -18.97175 -18.33956 14.37627 1.000 25.69002 ? 29  PRO B CG  1 
ATOM   593  C CD  . PRO B 1 29 ? -18.70267 -17.50910 15.59667 1.000 19.61193 ? 29  PRO B CD  1 
ATOM   594  N N   . THR B 1 30 ? -19.51314 -21.98670 16.79950 1.000 32.01716 ? 30  THR B N   1 
ATOM   595  C CA  . THR B 1 30 ? -18.79235 -23.24535 16.92587 1.000 35.32971 ? 30  THR B CA  1 
ATOM   596  C C   . THR B 1 30 ? -18.85012 -24.09343 15.66431 1.000 38.90823 ? 30  THR B C   1 
ATOM   597  O O   . THR B 1 30 ? -18.03527 -25.01043 15.51808 1.000 40.21157 ? 30  THR B O   1 
ATOM   598  C CB  . THR B 1 30 ? -19.33022 -24.05568 18.10653 1.000 42.51370 ? 30  THR B CB  1 
ATOM   599  O OG1 . THR B 1 30 ? -20.75003 -23.89112 18.18631 1.000 45.88827 ? 30  THR B OG1 1 
ATOM   600  C CG2 . THR B 1 30 ? -18.69110 -23.57008 19.40206 1.000 49.64206 ? 30  THR B CG2 1 
ATOM   601  N N   . SER B 1 31 ? -19.77337 -23.80298 14.75089 1.000 36.19245 ? 31  SER B N   1 
ATOM   602  C CA  . SER B 1 31 ? -19.92911 -24.58483 13.53051 1.000 39.02724 ? 31  SER B CA  1 
ATOM   603  C C   . SER B 1 31 ? -20.77124 -23.78526 12.54651 1.000 33.14295 ? 31  SER B C   1 
ATOM   604  O O   . SER B 1 31 ? -21.35368 -22.75417 12.89076 1.000 33.76225 ? 31  SER B O   1 
ATOM   605  C CB  . SER B 1 31 ? -20.57066 -25.94638 13.81759 1.000 39.18261 ? 31  SER B CB  1 
ATOM   606  O OG  . SER B 1 31 ? -21.96025 -25.80523 14.05427 1.000 39.15192 ? 31  SER B OG  1 
ATOM   607  N N   . ASP B 1 32 ? -20.84704 -24.28499 11.30921 1.000 29.58557 ? 32  ASP B N   1 
ATOM   608  C CA  . ASP B 1 32 ? -21.65276 -23.59581 10.31228 1.000 33.10448 ? 32  ASP B CA  1 
ATOM   609  C C   . ASP B 1 32 ? -23.15206 -23.76934 10.53782 1.000 37.40674 ? 32  ASP B C   1 
ATOM   610  O O   . ASP B 1 32 ? -23.94017 -23.14997 9.81707  1.000 34.87989 ? 32  ASP B O   1 
ATOM   611  C CB  . ASP B 1 32 ? -21.27844 -24.07664 8.91298  1.000 28.19919 ? 32  ASP B CB  1 
ATOM   612  C CG  . ASP B 1 32 ? -21.54410 -25.55120 8.71398  1.000 50.01030 ? 32  ASP B CG  1 
ATOM   613  O OD1 . ASP B 1 32 ? -21.44650 -26.31434 9.69904  1.000 54.40621 ? 32  ASP B OD1 1 
ATOM   614  O OD2 . ASP B 1 32 ? -21.83621 -25.94846 7.56323  1.000 62.56994 ? 32  ASP B OD2 1 
ATOM   615  N N   . LYS B 1 33 ? -23.56576 -24.58612 11.50744 1.000 36.14455 ? 33  LYS B N   1 
ATOM   616  C CA  . LYS B 1 33 ? -24.96944 -24.63104 11.90328 1.000 35.93997 ? 33  LYS B CA  1 
ATOM   617  C C   . LYS B 1 33 ? -25.36056 -23.46028 12.79727 1.000 46.19019 ? 33  LYS B C   1 
ATOM   618  O O   . LYS B 1 33 ? -26.54473 -23.31787 13.12108 1.000 36.20443 ? 33  LYS B O   1 
ATOM   619  C CB  . LYS B 1 33 ? -25.28201 -25.94877 12.62347 1.000 42.01590 ? 33  LYS B CB  1 
ATOM   620  C CG  . LYS B 1 33 ? -24.70545 -27.19030 11.96031 1.000 43.57186 ? 33  LYS B CG  1 
ATOM   621  C CD  . LYS B 1 33 ? -23.92404 -28.02879 12.96061 0.000 43.17423 ? 33  LYS B CD  1 
ATOM   622  C CE  . LYS B 1 33 ? -23.46307 -29.34280 12.35310 0.000 42.52874 ? 33  LYS B CE  1 
ATOM   623  N NZ  . LYS B 1 33 ? -22.63558 -30.12879 13.31080 0.000 42.24204 ? 33  LYS B NZ  1 
ATOM   624  N N   . ASP B 1 34 ? -24.39634 -22.62807 13.19703 1.000 29.91666 ? 34  ASP B N   1 
ATOM   625  C CA  . ASP B 1 34 ? -24.60119 -21.54718 14.15557 1.000 28.32415 ? 34  ASP B CA  1 
ATOM   626  C C   . ASP B 1 34 ? -24.85334 -20.25322 13.38948 1.000 34.59072 ? 34  ASP B C   1 
ATOM   627  O O   . ASP B 1 34 ? -23.93667 -19.70036 12.77342 1.000 33.20749 ? 34  ASP B O   1 
ATOM   628  C CB  . ASP B 1 34 ? -23.37589 -21.43213 15.06550 1.000 37.78225 ? 34  ASP B CB  1 
ATOM   629  C CG  . ASP B 1 34 ? -23.63230 -20.61482 16.32093 1.000 40.16491 ? 34  ASP B CG  1 
ATOM   630  O OD1 . ASP B 1 34 ? -24.72734 -20.02688 16.46868 1.000 37.33627 ? 34  ASP B OD1 1 
ATOM   631  O OD2 . ASP B 1 34 ? -22.71925 -20.57346 17.17219 1.000 39.80922 ? 34  ASP B OD2 1 
ATOM   632  N N   . ASN B 1 35 ? -26.09740 -19.77501 13.41642 1.000 25.82507 ? 35  ASN B N   1 
ATOM   633  C CA  . ASN B 1 35 ? -26.42864 -18.48153 12.82197 1.000 28.75012 ? 35  ASN B CA  1 
ATOM   634  C C   . ASN B 1 35 ? -25.99503 -17.40894 13.81361 1.000 31.77158 ? 35  ASN B C   1 
ATOM   635  O O   . ASN B 1 35 ? -26.74819 -16.99774 14.69810 1.000 28.16147 ? 35  ASN B O   1 
ATOM   636  C CB  . ASN B 1 35 ? -27.91742 -18.39760 12.49249 1.000 31.92422 ? 35  ASN B CB  1 
ATOM   637  C CG  . ASN B 1 35 ? -28.27657 -17.13967 11.72549 1.000 31.03939 ? 35  ASN B CG  1 
ATOM   638  O OD1 . ASN B 1 35 ? -27.51299 -16.17247 11.70042 1.000 30.89831 ? 35  ASN B OD1 1 
ATOM   639  N ND2 . ASN B 1 35 ? -29.45009 -17.14386 11.09060 1.000 35.26375 ? 35  ASN B ND2 1 
ATOM   640  N N   . TRP B 1 36 ? -24.75277 -16.94837 13.66462 1.000 28.59026 ? 36  TRP B N   1 
ATOM   641  C CA  . TRP B 1 36 ? -24.16877 -16.07720 14.67904 1.000 24.41335 ? 36  TRP B CA  1 
ATOM   642  C C   . TRP B 1 36 ? -24.87068 -14.72780 14.71553 1.000 25.01073 ? 36  TRP B C   1 
ATOM   643  O O   . TRP B 1 36 ? -25.22913 -14.23417 15.79151 1.000 28.24670 ? 36  TRP B O   1 
ATOM   644  C CB  . TRP B 1 36 ? -22.66918 -15.90227 14.41811 1.000 24.90514 ? 36  TRP B CB  1 
ATOM   645  C CG  . TRP B 1 36 ? -21.95506 -15.14387 15.50017 1.000 25.93638 ? 36  TRP B CG  1 
ATOM   646  C CD1 . TRP B 1 36 ? -21.44961 -15.65463 16.65861 1.000 20.76906 ? 36  TRP B CD1 1 
ATOM   647  C CD2 . TRP B 1 36 ? -21.65125 -13.74053 15.51491 1.000 24.72423 ? 36  TRP B CD2 1 
ATOM   648  N NE1 . TRP B 1 36 ? -20.85257 -14.66106 17.39387 1.000 23.80216 ? 36  TRP B NE1 1 
ATOM   649  C CE2 . TRP B 1 36 ? -20.96600 -13.47631 16.71931 1.000 19.56717 ? 36  TRP B CE2 1 
ATOM   650  C CE3 . TRP B 1 36 ? -21.89197 -12.68318 14.62659 1.000 22.46295 ? 36  TRP B CE3 1 
ATOM   651  C CZ2 . TRP B 1 36 ? -20.52222 -12.20518 17.06335 1.000 22.79279 ? 36  TRP B CZ2 1 
ATOM   652  C CZ3 . TRP B 1 36 ? -21.45439 -11.41499 14.96973 1.000 24.60514 ? 36  TRP B CZ3 1 
ATOM   653  C CH2 . TRP B 1 36 ? -20.77196 -11.18727 16.18329 1.000 21.32300 ? 36  TRP B CH2 1 
ATOM   654  N N   . LEU B 1 37 ? -25.08409 -14.12033 13.54640 1.000 25.80995 ? 37  LEU B N   1 
ATOM   655  C CA  . LEU B 1 37 ? -25.70347 -12.80123 13.50509 1.000 25.37271 ? 37  LEU B CA  1 
ATOM   656  C C   . LEU B 1 37 ? -27.08966 -12.80739 14.14703 1.000 31.90803 ? 37  LEU B C   1 
ATOM   657  O O   . LEU B 1 37 ? -27.48053 -11.82185 14.78364 1.000 31.12820 ? 37  LEU B O   1 
ATOM   658  C CB  . LEU B 1 37 ? -25.78155 -12.30646 12.06028 1.000 32.63970 ? 37  LEU B CB  1 
ATOM   659  C CG  . LEU B 1 37 ? -26.03961 -10.81268 11.83807 1.000 36.41666 ? 37  LEU B CG  1 
ATOM   660  C CD1 . LEU B 1 37 ? -25.10566 -9.94236  12.67302 1.000 35.84560 ? 37  LEU B CD1 1 
ATOM   661  C CD2 . LEU B 1 37 ? -25.94871 -10.45998 10.36454 1.000 38.92465 ? 37  LEU B CD2 1 
ATOM   662  N N   . ALA B 1 38 ? -27.83520 -13.91052 14.01938 1.000 30.74255 ? 38  ALA B N   1 
ATOM   663  C CA  . ALA B 1 38 ? -29.17109 -13.96346 14.61484 1.000 28.32865 ? 38  ALA B CA  1 
ATOM   664  C C   . ALA B 1 38 ? -29.11218 -13.97897 16.13823 1.000 35.16418 ? 38  ALA B C   1 
ATOM   665  O O   . ALA B 1 38 ? -29.95854 -13.36766 16.79798 1.000 34.07793 ? 38  ALA B O   1 
ATOM   666  C CB  . ALA B 1 38 ? -29.93938 -15.18255 14.10528 1.000 27.92160 ? 38  ALA B CB  1 
ATOM   667  N N   . ARG B 1 39 ? -28.13485 -14.67146 16.72294 1.000 32.91277 ? 39  ARG B N   1 
ATOM   668  C CA  . ARG B 1 39 ? -28.06785 -14.75757 18.17734 1.000 34.00677 ? 39  ARG B CA  1 
ATOM   669  C C   . ARG B 1 39 ? -27.13093 -13.73649 18.80938 1.000 28.89552 ? 39  ARG B C   1 
ATOM   670  O O   . ARG B 1 39 ? -27.13248 -13.60444 20.03836 1.000 30.50893 ? 39  ARG B O   1 
ATOM   671  C CB  . ARG B 1 39 ? -27.65406 -16.16855 18.61923 1.000 34.34366 ? 39  ARG B CB  1 
ATOM   672  C CG  . ARG B 1 39 ? -26.23003 -16.55931 18.26834 1.000 30.37552 ? 39  ARG B CG  1 
ATOM   673  C CD  . ARG B 1 39 ? -25.76720 -17.74946 19.10105 1.000 32.01229 ? 39  ARG B CD  1 
ATOM   674  N NE  . ARG B 1 39 ? -24.47859 -18.27854 18.66018 1.000 32.61846 ? 39  ARG B NE  1 
ATOM   675  C CZ  . ARG B 1 39 ? -23.30228 -17.90898 19.15544 1.000 29.07582 ? 39  ARG B CZ  1 
ATOM   676  N NH1 . ARG B 1 39 ? -23.20519 -16.97418 20.08546 1.000 25.54439 ? 39  ARG B NH1 1 
ATOM   677  N NH2 . ARG B 1 39 ? -22.19651 -18.49416 18.70516 1.000 28.05224 ? 39  ARG B NH2 1 
ATOM   678  N N   . ALA B 1 40 ? -26.34088 -13.00932 18.01957 1.000 26.18975 ? 40  ALA B N   1 
ATOM   679  C CA  . ALA B 1 40 ? -25.42675 -12.02905 18.59452 1.000 24.83838 ? 40  ALA B CA  1 
ATOM   680  C C   . ALA B 1 40 ? -26.19725 -10.89314 19.26742 1.000 29.26577 ? 40  ALA B C   1 
ATOM   681  O O   . ALA B 1 40 ? -27.31833 -10.54809 18.87324 1.000 32.10886 ? 40  ALA B O   1 
ATOM   682  C CB  . ALA B 1 40 ? -24.49809 -11.47003 17.50940 1.000 24.83085 ? 40  ALA B CB  1 
ATOM   683  N N   . THR B 1 41 ? -25.59300 -10.32287 20.30831 1.000 24.32446 ? 41  THR B N   1 
ATOM   684  C CA  . THR B 1 41 ? -26.18067 -9.18276  20.99884 1.000 25.88519 ? 41  THR B CA  1 
ATOM   685  C C   . THR B 1 41 ? -25.90721 -7.90776  20.21641 1.000 28.73727 ? 41  THR B C   1 
ATOM   686  O O   . THR B 1 41 ? -24.76045 -7.61809  19.86143 1.000 25.74199 ? 41  THR B O   1 
ATOM   687  C CB  . THR B 1 41 ? -25.62115 -9.04907  22.41959 1.000 29.67522 ? 41  THR B CB  1 
ATOM   688  O OG1 . THR B 1 41 ? -25.71179 -10.30541 23.09782 1.000 28.82828 ? 41  THR B OG1 1 
ATOM   689  C CG2 . THR B 1 41 ? -26.39373 -7.99763  23.20064 1.000 33.31480 ? 41  THR B CG2 1 
ATOM   690  N N   . LEU B 1 42 ? -26.96358 -7.15510  19.92563 1.000 23.62687 ? 42  LEU B N   1 
ATOM   691  C CA  . LEU B 1 42 ? -26.80642 -5.85188  19.29881 1.000 32.09481 ? 42  LEU B CA  1 
ATOM   692  C C   . LEU B 1 42 ? -26.38072 -4.85419  20.36430 1.000 31.62713 ? 42  LEU B C   1 
ATOM   693  O O   . LEU B 1 42 ? -27.12408 -4.60698  21.31784 1.000 31.39536 ? 42  LEU B O   1 
ATOM   694  C CB  . LEU B 1 42 ? -28.10732 -5.42122  18.61705 1.000 28.50712 ? 42  LEU B CB  1 
ATOM   695  C CG  . LEU B 1 42 ? -28.08392 -4.02503  17.98463 1.000 31.12488 ? 42  LEU B CG  1 
ATOM   696  C CD1 . LEU B 1 42 ? -27.42487 -4.06061  16.61071 1.000 27.87603 ? 42  LEU B CD1 1 
ATOM   697  C CD2 . LEU B 1 42 ? -29.49002 -3.43356  17.87407 1.000 38.23730 ? 42  LEU B CD2 1 
ATOM   698  N N   . ILE B 1 43 ? -25.18119 -4.29104  20.22314 1.000 28.26844 ? 43  ILE B N   1 
ATOM   699  C CA  . ILE B 1 43 ? -24.66404 -3.36191  21.21783 1.000 26.22141 ? 43  ILE B CA  1 
ATOM   700  C C   . ILE B 1 43 ? -24.43183 -1.97661  20.65107 1.000 25.19472 ? 43  ILE B C   1 
ATOM   701  O O   . ILE B 1 43 ? -23.97628 -1.08740  21.37878 1.000 32.42594 ? 43  ILE B O   1 
ATOM   702  C CB  . ILE B 1 43 ? -23.38245 -3.90180  21.88190 1.000 25.44937 ? 43  ILE B CB  1 
ATOM   703  C CG1 . ILE B 1 43 ? -22.35825 -4.29606  20.81350 1.000 24.36123 ? 43  ILE B CG1 1 
ATOM   704  C CG2 . ILE B 1 43 ? -23.73068 -5.09795  22.74886 1.000 26.49391 ? 43  ILE B CG2 1 
ATOM   705  C CD1 . ILE B 1 43 ? -20.97291 -4.56922  21.36481 1.000 25.03507 ? 43  ILE B CD1 1 
ATOM   706  N N   . GLY B 1 44 ? -24.74946 -1.75984  19.38161 1.000 27.87160 ? 44  GLY B N   1 
ATOM   707  C CA  . GLY B 1 44 ? -24.69155 -0.43861  18.79812 1.000 34.85288 ? 44  GLY B CA  1 
ATOM   708  C C   . GLY B 1 44 ? -25.49537 -0.37978  17.52126 1.000 39.68767 ? 44  GLY B C   1 
ATOM   709  O O   . GLY B 1 44 ? -25.25968 -1.17199  16.60294 1.000 33.62253 ? 44  GLY B O   1 
ATOM   710  N N   . ASN B 1 45 ? -26.45587 0.53374   17.44146 1.000 34.95324 ? 45  ASN B N   1 
ATOM   711  C CA  . ASN B 1 45 ? -27.31218 0.63900   16.25917 1.000 33.93110 ? 45  ASN B CA  1 
ATOM   712  C C   . ASN B 1 45 ? -26.94512 1.91441   15.50053 1.000 41.88403 ? 45  ASN B C   1 
ATOM   713  O O   . ASN B 1 45 ? -27.45969 2.99762   15.78614 1.000 52.84173 ? 45  ASN B O   1 
ATOM   714  C CB  . ASN B 1 45 ? -28.79070 0.61922   16.64197 1.000 51.19980 ? 45  ASN B CB  1 
ATOM   715  C CG  . ASN B 1 45 ? -29.67013 0.09626   15.52019 1.000 52.02488 ? 45  ASN B CG  1 
ATOM   716  O OD1 . ASN B 1 45 ? -29.26663 0.09184   14.35570 1.000 57.23309 ? 45  ASN B OD1 1 
ATOM   717  N ND2 . ASN B 1 45 ? -30.87708 -0.34337  15.86229 1.000 49.58592 ? 45  ASN B ND2 1 
ATOM   718  N N   . GLY B 1 46 ? -26.05361 1.77549   14.53260 1.000 46.53628 ? 46  GLY B N   1 
ATOM   719  C CA  . GLY B 1 46 ? -25.68120 2.87641   13.67006 1.000 38.80995 ? 46  GLY B CA  1 
ATOM   720  C C   . GLY B 1 46 ? -24.40416 3.56676   14.11398 1.000 34.98312 ? 46  GLY B C   1 
ATOM   721  O O   . GLY B 1 46 ? -24.04465 3.58235   15.29691 1.000 37.53577 ? 46  GLY B O   1 
ATOM   722  N N   . GLY B 1 47 ? -23.70618 4.15566   13.14531 1.000 30.96187 ? 47  GLY B N   1 
ATOM   723  C CA  . GLY B 1 47 ? -22.53437 4.95985   13.40836 1.000 33.53163 ? 47  GLY B CA  1 
ATOM   724  C C   . GLY B 1 47 ? -21.22892 4.20107   13.50005 1.000 33.56641 ? 47  GLY B C   1 
ATOM   725  O O   . GLY B 1 47 ? -20.19670 4.81744   13.78959 1.000 38.51575 ? 47  GLY B O   1 
ATOM   726  N N   . TRP B 1 48 ? -21.23593 2.89414   13.26278 1.000 32.14429 ? 48  TRP B N   1 
ATOM   727  C CA  . TRP B 1 48 ? -20.01213 2.10074   13.35417 1.000 30.67995 ? 48  TRP B CA  1 
ATOM   728  C C   . TRP B 1 48 ? -19.43534 1.80557   11.97340 1.000 35.29406 ? 48  TRP B C   1 
ATOM   729  O O   . TRP B 1 48 ? -18.21885 1.67340   11.82246 1.000 32.80336 ? 48  TRP B O   1 
ATOM   730  C CB  . TRP B 1 48 ? -20.27796 0.79576   14.11187 1.000 31.99088 ? 48  TRP B CB  1 
ATOM   731  C CG  . TRP B 1 48 ? -20.75471 1.01862   15.51617 1.000 29.21028 ? 48  TRP B CG  1 
ATOM   732  C CD1 . TRP B 1 48 ? -22.05234 1.05784   15.94549 1.000 31.74906 ? 48  TRP B CD1 1 
ATOM   733  C CD2 . TRP B 1 48 ? -19.94086 1.22118   16.67650 1.000 27.63686 ? 48  TRP B CD2 1 
ATOM   734  N NE1 . TRP B 1 48 ? -22.09446 1.28862   17.30019 1.000 30.85983 ? 48  TRP B NE1 1 
ATOM   735  C CE2 . TRP B 1 48 ? -20.81339 1.38909   17.77554 1.000 27.59568 ? 48  TRP B CE2 1 
ATOM   736  C CE3 . TRP B 1 48 ? -18.56350 1.29037   16.89412 1.000 25.03725 ? 48  TRP B CE3 1 
ATOM   737  C CZ2 . TRP B 1 48 ? -20.34818 1.61527   19.07275 1.000 26.56084 ? 48  TRP B CZ2 1 
ATOM   738  C CZ3 . TRP B 1 48 ? -18.10248 1.51016   18.17778 1.000 22.25632 ? 48  TRP B CZ3 1 
ATOM   739  C CH2 . TRP B 1 48 ? -18.99508 1.67147   19.25541 1.000 27.38207 ? 48  TRP B CH2 1 
ATOM   740  O OXT . TRP B 1 48 ? -20.15698 1.69665   10.97685 1.000 34.75701 ? 48  TRP B OXT 1 
ATOM   741  N N   . SER C 1 2  ? -2.71953  10.42604  3.97524  0.000 36.15769 ? 2   SER E N   1 
ATOM   742  C CA  . SER C 1 2  ? -2.08711  10.32495  5.28504  0.000 37.34863 ? 2   SER E CA  1 
ATOM   743  C C   . SER C 1 2  ? -2.77747  9.27271   6.14530  0.000 37.04715 ? 2   SER E C   1 
ATOM   744  O O   . SER C 1 2  ? -3.38890  8.33750   5.62920  0.000 35.11133 ? 2   SER E O   1 
ATOM   745  C CB  . SER C 1 2  ? -2.10407  11.68006  5.99577  0.000 39.78752 ? 2   SER E CB  1 
ATOM   746  O OG  . SER C 1 2  ? -1.62327  11.56655  7.32405  0.000 39.83019 ? 2   SER E OG  1 
ATOM   747  N N   . GLY C 1 3  ? -2.67371  9.43409   7.45965  1.000 39.94904 ? 3   GLY E N   1 
ATOM   748  C CA  . GLY C 1 3  ? -3.29069  8.50459   8.39196  1.000 37.82644 ? 3   GLY E CA  1 
ATOM   749  C C   . GLY C 1 3  ? -2.54425  7.18048   8.46957  1.000 32.46627 ? 3   GLY E C   1 
ATOM   750  O O   . GLY C 1 3  ? -1.53550  6.95031   7.80918  1.000 33.68043 ? 3   GLY E O   1 
ATOM   751  N N   . PHE C 1 4  ? -3.07554  6.29035   9.30184  1.000 23.43587 ? 4   PHE E N   1 
ATOM   752  C CA  . PHE C 1 4  ? -2.47812  4.98549   9.54823  1.000 20.28032 ? 4   PHE E CA  1 
ATOM   753  C C   . PHE C 1 4  ? -3.10275  3.92734   8.64856  1.000 19.01654 ? 4   PHE E C   1 
ATOM   754  O O   . PHE C 1 4  ? -4.29042  3.98003   8.33388  1.000 21.30237 ? 4   PHE E O   1 
ATOM   755  C CB  . PHE C 1 4  ? -2.66213  4.57498   11.01239 1.000 23.90725 ? 4   PHE E CB  1 
ATOM   756  C CG  . PHE C 1 4  ? -1.69732  5.24804   11.93921 1.000 18.72424 ? 4   PHE E CG  1 
ATOM   757  C CD1 . PHE C 1 4  ? -1.88918  6.56465   12.31968 1.000 29.72608 ? 4   PHE E CD1 1 
ATOM   758  C CD2 . PHE C 1 4  ? -0.55285  4.59371   12.34559 1.000 19.69092 ? 4   PHE E CD2 1 
ATOM   759  C CE1 . PHE C 1 4  ? -0.98271  7.19888   13.15378 1.000 28.55907 ? 4   PHE E CE1 1 
ATOM   760  C CE2 . PHE C 1 4  ? 0.36959   5.22435   13.17995 1.000 27.50862 ? 4   PHE E CE2 1 
ATOM   761  C CZ  . PHE C 1 4  ? 0.15184   6.53001   13.57841 1.000 28.44759 ? 4   PHE E CZ  1 
ATOM   762  N N   . LYS C 1 5  ? -2.28238  2.95704   8.24387  1.000 19.24348 ? 5   LYS E N   1 
ATOM   763  C CA  . LYS C 1 5  ? -2.72916  1.78124   7.50634  1.000 18.30830 ? 5   LYS E CA  1 
ATOM   764  C C   . LYS C 1 5  ? -3.12082  0.64621   8.43562  1.000 19.18592 ? 5   LYS E C   1 
ATOM   765  O O   . LYS C 1 5  ? -4.12365  -0.04283  8.20516  1.000 19.34021 ? 5   LYS E O   1 
ATOM   766  C CB  . LYS C 1 5  ? -1.60960  1.29228   6.59225  1.000 19.55619 ? 5   LYS E CB  1 
ATOM   767  C CG  . LYS C 1 5  ? -2.01187  0.15807   5.67681  1.000 19.36127 ? 5   LYS E CG  1 
ATOM   768  C CD  . LYS C 1 5  ? -0.81209  -0.23551  4.83896  1.000 19.43314 ? 5   LYS E CD  1 
ATOM   769  C CE  . LYS C 1 5  ? -1.09630  -1.47968  4.03374  1.000 27.71249 ? 5   LYS E CE  1 
ATOM   770  N NZ  . LYS C 1 5  ? 0.07307   -1.85426  3.18344  1.000 24.89276 ? 5   LYS E NZ  1 
ATOM   771  N N   . PHE C 1 6  ? -2.30469  0.42586   9.46316  1.000 16.84404 ? 6   PHE E N   1 
ATOM   772  C CA  . PHE C 1 6  ? -2.59288  -0.52394  10.52216 1.000 16.14676 ? 6   PHE E CA  1 
ATOM   773  C C   . PHE C 1 6  ? -2.46603  0.18268   11.86301 1.000 16.23080 ? 6   PHE E C   1 
ATOM   774  O O   . PHE C 1 6  ? -1.66460  1.10751   12.02450 1.000 17.36795 ? 6   PHE E O   1 
ATOM   775  C CB  . PHE C 1 6  ? -1.63010  -1.71853  10.49346 1.000 18.52833 ? 6   PHE E CB  1 
ATOM   776  C CG  . PHE C 1 6  ? -1.67402  -2.51184  9.21505  1.000 17.68378 ? 6   PHE E CG  1 
ATOM   777  C CD1 . PHE C 1 6  ? -2.76996  -3.29672  8.90881  1.000 18.93306 ? 6   PHE E CD1 1 
ATOM   778  C CD2 . PHE C 1 6  ? -0.59219  -2.49474  8.33785  1.000 18.90910 ? 6   PHE E CD2 1 
ATOM   779  C CE1 . PHE C 1 6  ? -2.80957  -4.03904  7.72716  1.000 19.50322 ? 6   PHE E CE1 1 
ATOM   780  C CE2 . PHE C 1 6  ? -0.61487  -3.23671  7.18794  1.000 17.12144 ? 6   PHE E CE2 1 
ATOM   781  C CZ  . PHE C 1 6  ? -1.71597  -4.00705  6.86748  1.000 16.99176 ? 6   PHE E CZ  1 
ATOM   782  N N   . LEU C 1 7  ? -3.26043  -0.26618  12.82641 1.000 15.93266 ? 7   LEU E N   1 
ATOM   783  C CA  . LEU C 1 7  ? -3.19450  0.30420   14.17468 1.000 14.72983 ? 7   LEU E CA  1 
ATOM   784  C C   . LEU C 1 7  ? -3.73997  -0.76107  15.11807 1.000 15.06929 ? 7   LEU E C   1 
ATOM   785  O O   . LEU C 1 7  ? -4.90999  -1.12823  15.00509 1.000 17.99111 ? 7   LEU E O   1 
ATOM   786  C CB  . LEU C 1 7  ? -4.00651  1.60000   14.24539 1.000 17.87492 ? 7   LEU E CB  1 
ATOM   787  C CG  . LEU C 1 7  ? -3.94230  2.38929   15.55465 1.000 18.33722 ? 7   LEU E CG  1 
ATOM   788  C CD1 . LEU C 1 7  ? -2.52618  2.91975   15.77391 1.000 16.47820 ? 7   LEU E CD1 1 
ATOM   789  C CD2 . LEU C 1 7  ? -4.94688  3.53032   15.53078 1.000 19.91186 ? 7   LEU E CD2 1 
ATOM   790  N N   . PHE C 1 8  ? -2.88760  -1.29633  15.99637 1.000 13.79735 ? 8   PHE E N   1 
ATOM   791  C CA  . PHE C 1 8  ? -3.21301  -2.53592  16.69184 1.000 16.20253 ? 8   PHE E CA  1 
ATOM   792  C C   . PHE C 1 8  ? -2.31625  -2.70797  17.91421 1.000 15.37789 ? 8   PHE E C   1 
ATOM   793  O O   . PHE C 1 8  ? -1.24289  -2.10553  18.01743 1.000 15.30687 ? 8   PHE E O   1 
ATOM   794  C CB  . PHE C 1 8  ? -3.07610  -3.74396  15.74948 1.000 15.70135 ? 8   PHE E CB  1 
ATOM   795  C CG  . PHE C 1 8  ? -1.68066  -3.92443  15.15598 1.000 14.85027 ? 8   PHE E CG  1 
ATOM   796  C CD1 . PHE C 1 8  ? -1.24244  -3.14124  14.08991 1.000 16.05408 ? 8   PHE E CD1 1 
ATOM   797  C CD2 . PHE C 1 8  ? -0.85109  -4.93540  15.61315 1.000 14.75283 ? 8   PHE E CD2 1 
ATOM   798  C CE1 . PHE C 1 8  ? 0.03445   -3.32343  13.52750 1.000 19.20024 ? 8   PHE E CE1 1 
ATOM   799  C CE2 . PHE C 1 8  ? 0.41650   -5.13277  15.07830 1.000 15.04723 ? 8   PHE E CE2 1 
ATOM   800  C CZ  . PHE C 1 8  ? 0.87257   -4.32521  14.01453 1.000 19.30560 ? 8   PHE E CZ  1 
ATOM   801  N N   . PHE C 1 9  ? -2.76694  -3.56402  18.83490 1.000 14.37394 ? 9   PHE E N   1 
ATOM   802  C CA  . PHE C 1 9  ? -2.06406  -3.80624  20.09255 1.000 18.07544 ? 9   PHE E CA  1 
ATOM   803  C C   . PHE C 1 9  ? -1.34536  -5.14985  20.09403 1.000 18.11226 ? 9   PHE E C   1 
ATOM   804  O O   . PHE C 1 9  ? -1.84861  -6.14148  19.54743 1.000 18.59802 ? 9   PHE E O   1 
ATOM   805  C CB  . PHE C 1 9  ? -3.04898  -3.77638  21.26051 1.000 16.64605 ? 9   PHE E CB  1 
ATOM   806  C CG  . PHE C 1 9  ? -3.29576  -2.40423  21.80159 1.000 16.41825 ? 9   PHE E CG  1 
ATOM   807  C CD1 . PHE C 1 9  ? -2.35377  -1.78372  22.61754 1.000 19.28097 ? 9   PHE E CD1 1 
ATOM   808  C CD2 . PHE C 1 9  ? -4.45273  -1.72600  21.47688 1.000 18.35982 ? 9   PHE E CD2 1 
ATOM   809  C CE1 . PHE C 1 9  ? -2.58410  -0.50948  23.11091 1.000 18.70769 ? 9   PHE E CE1 1 
ATOM   810  C CE2 . PHE C 1 9  ? -4.69340  -0.45375  21.96651 1.000 18.83803 ? 9   PHE E CE2 1 
ATOM   811  C CZ  . PHE C 1 9  ? -3.75764  0.15937   22.77321 1.000 17.04590 ? 9   PHE E CZ  1 
ATOM   812  N N   . SER C 1 10 ? -0.18067  -5.17917  20.72808 1.000 16.12881 ? 10  SER E N   1 
ATOM   813  C CA  . SER C 1 10 ? 0.39671   -6.43368  21.16701 1.000 17.41380 ? 10  SER E CA  1 
ATOM   814  C C   . SER C 1 10 ? -0.19474  -6.81086  22.52564 1.000 18.31057 ? 10  SER E C   1 
ATOM   815  O O   . SER C 1 10 ? -0.76247  -5.96264  23.22301 1.000 17.98545 ? 10  SER E O   1 
ATOM   816  C CB  . SER C 1 10 ? 1.91518   -6.31640  21.25797 1.000 20.76037 ? 10  SER E CB  1 
ATOM   817  O OG  . SER C 1 10 ? 2.28929   -5.46695  22.31703 1.000 25.59479 ? 10  SER E OG  1 
ATOM   818  N N   . PRO C 1 11 ? -0.10359  -8.08589  22.91054 1.000 18.53528 ? 11  PRO E N   1 
ATOM   819  C CA  . PRO C 1 11 ? -0.72258  -8.51040  24.18112 1.000 15.73794 ? 11  PRO E CA  1 
ATOM   820  C C   . PRO C 1 11 ? -0.09119  -7.87121  25.40634 1.000 17.57853 ? 11  PRO E C   1 
ATOM   821  O O   . PRO C 1 11 ? -0.71849  -7.88409  26.47730 1.000 19.59551 ? 11  PRO E O   1 
ATOM   822  C CB  . PRO C 1 11 ? -0.52984  -10.03337 24.19187 1.000 20.27054 ? 11  PRO E CB  1 
ATOM   823  C CG  . PRO C 1 11 ? 0.44800   -10.34136 23.07915 1.000 20.99655 ? 11  PRO E CG  1 
ATOM   824  C CD  . PRO C 1 11 ? 0.37935   -9.21937  22.10388 1.000 18.55478 ? 11  PRO E CD  1 
ATOM   825  N N   . ASP C 1 12 ? 1.11802   -7.31665  25.28980 1.000 16.63525 ? 12  ASP E N   1 
ATOM   826  C CA  . ASP C 1 12 ? 1.73019   -6.62582  26.42090 1.000 18.33865 ? 12  ASP E CA  1 
ATOM   827  C C   . ASP C 1 12 ? 1.26434   -5.17717  26.55604 1.000 21.15632 ? 12  ASP E C   1 
ATOM   828  O O   . ASP C 1 12 ? 1.73398   -4.47107  27.46107 1.000 22.25041 ? 12  ASP E O   1 
ATOM   829  C CB  . ASP C 1 12 ? 3.26679   -6.71517  26.34113 1.000 20.35851 ? 12  ASP E CB  1 
ATOM   830  C CG  . ASP C 1 12 ? 3.86179   -6.00122  25.12462 1.000 24.64602 ? 12  ASP E CG  1 
ATOM   831  O OD1 . ASP C 1 12 ? 3.29213   -5.00880  24.62600 1.000 31.62384 ? 12  ASP E OD1 1 
ATOM   832  O OD2 . ASP C 1 12 ? 4.95530   -6.42079  24.68578 1.000 32.52616 ? 12  ASP E OD2 1 
ATOM   833  N N   . GLY C 1 13 ? 0.35094   -4.72325  25.69831 1.000 17.47545 ? 13  GLY E N   1 
ATOM   834  C CA  . GLY C 1 13 ? -0.23475  -3.40489  25.81898 1.000 19.57236 ? 13  GLY E CA  1 
ATOM   835  C C   . GLY C 1 13 ? 0.43248   -2.33015  24.99534 1.000 19.78571 ? 13  GLY E C   1 
ATOM   836  O O   . GLY C 1 13 ? 0.03544   -1.16469  25.09161 1.000 19.52653 ? 13  GLY E O   1 
ATOM   837  N N   . THR C 1 14 ? 1.43120   -2.68621  24.19485 1.000 18.00844 ? 14  THR E N   1 
ATOM   838  C CA  . THR C 1 14 ? 2.10899   -1.73809  23.31875 1.000 14.93179 ? 14  THR E CA  1 
ATOM   839  C C   . THR C 1 14 ? 1.25064   -1.48898  22.08468 1.000 18.96262 ? 14  THR E C   1 
ATOM   840  O O   . THR C 1 14 ? 0.73213   -2.43621  21.48558 1.000 19.00361 ? 14  THR E O   1 
ATOM   841  C CB  . THR C 1 14 ? 3.47779   -2.29382  22.91530 1.000 15.80973 ? 14  THR E CB  1 
ATOM   842  O OG1 . THR C 1 14 ? 4.28684   -2.49800  24.08578 1.000 19.32443 ? 14  THR E OG1 1 
ATOM   843  C CG2 . THR C 1 14 ? 4.19824   -1.33773  21.97792 1.000 20.21117 ? 14  THR E CG2 1 
ATOM   844  N N   . LEU C 1 15 ? 1.07737   -0.21740  21.72132 1.000 17.54695 ? 15  LEU E N   1 
ATOM   845  C CA  . LEU C 1 15 ? 0.39289   0.14684   20.48167 1.000 17.93249 ? 15  LEU E CA  1 
ATOM   846  C C   . LEU C 1 15 ? 1.37952   0.14272   19.31791 1.000 16.97419 ? 15  LEU E C   1 
ATOM   847  O O   . LEU C 1 15 ? 2.48693   0.68379   19.42181 1.000 16.00301 ? 15  LEU E O   1 
ATOM   848  C CB  . LEU C 1 15 ? -0.26414  1.52403   20.60499 1.000 15.77257 ? 15  LEU E CB  1 
ATOM   849  C CG  . LEU C 1 15 ? -1.11041  2.01781   19.42649 1.000 17.04483 ? 15  LEU E CG  1 
ATOM   850  C CD1 . LEU C 1 15 ? -2.31374  1.11309   19.20302 1.000 19.35859 ? 15  LEU E CD1 1 
ATOM   851  C CD2 . LEU C 1 15 ? -1.56322  3.45413   19.66689 1.000 18.21622 ? 15  LEU E CD2 1 
ATOM   852  N N   . TYR C 1 16 ? 0.97140   -0.46861  18.21048 1.000 16.08427 ? 16  TYR E N   1 
ATOM   853  C CA  . TYR C 1 16 ? 1.76218   -0.51979  16.99076 1.000 15.30636 ? 16  TYR E CA  1 
ATOM   854  C C   . TYR C 1 16 ? 0.99831   0.18018   15.87841 1.000 13.03454 ? 16  TYR E C   1 
ATOM   855  O O   . TYR C 1 16 ? -0.23305  0.09584   15.80484 1.000 15.94937 ? 16  TYR E O   1 
ATOM   856  C CB  . TYR C 1 16 ? 2.03050   -1.96592  16.55380 1.000 16.89585 ? 16  TYR E CB  1 
ATOM   857  C CG  . TYR C 1 16 ? 3.13480   -2.67203  17.29604 1.000 15.83252 ? 16  TYR E CG  1 
ATOM   858  C CD1 . TYR C 1 16 ? 2.95393   -3.07164  18.61898 1.000 20.65662 ? 16  TYR E CD1 1 
ATOM   859  C CD2 . TYR C 1 16 ? 4.33897   -2.97924  16.67804 1.000 18.40714 ? 16  TYR E CD2 1 
ATOM   860  C CE1 . TYR C 1 16 ? 3.95961   -3.73941  19.30922 1.000 19.47009 ? 16  TYR E CE1 1 
ATOM   861  C CE2 . TYR C 1 16 ? 5.35408   -3.64127  17.37196 1.000 22.87236 ? 16  TYR E CE2 1 
ATOM   862  C CZ  . TYR C 1 16 ? 5.15247   -4.01874  18.68253 1.000 24.67940 ? 16  TYR E CZ  1 
ATOM   863  O OH  . TYR C 1 16 ? 6.15081   -4.68749  19.36130 1.000 25.01448 ? 16  TYR E OH  1 
ATOM   864  N N   . GLY C 1 17 ? 1.73378   0.82829   14.97253 1.000 15.25309 ? 17  GLY E N   1 
ATOM   865  C CA  . GLY C 1 17 ? 1.04229   1.47299   13.87315 1.000 17.53641 ? 17  GLY E CA  1 
ATOM   866  C C   . GLY C 1 17 ? 1.90842   1.56647   12.64165 1.000 15.43956 ? 17  GLY E C   1 
ATOM   867  O O   . GLY C 1 17 ? 3.12687   1.75882   12.74482 1.000 14.74885 ? 17  GLY E O   1 
ATOM   868  N N   . VAL C 1 18 ? 1.29138   1.41229   11.47462 1.000 17.45488 ? 18  VAL E N   1 
ATOM   869  C CA  . VAL C 1 18 ? 1.97004   1.58600   10.19669 1.000 20.60899 ? 18  VAL E CA  1 
ATOM   870  C C   . VAL C 1 18 ? 1.47515   2.89258   9.60270  1.000 17.22257 ? 18  VAL E C   1 
ATOM   871  O O   . VAL C 1 18 ? 0.26459   3.09369   9.44537  1.000 17.35367 ? 18  VAL E O   1 
ATOM   872  C CB  . VAL C 1 18 ? 1.71764   0.40854   9.24712  1.000 15.43754 ? 18  VAL E CB  1 
ATOM   873  C CG1 . VAL C 1 18 ? 2.24329   0.73041   7.82891  1.000 16.17822 ? 18  VAL E CG1 1 
ATOM   874  C CG2 . VAL C 1 18 ? 2.36539   -0.85570  9.78295  1.000 18.36505 ? 18  VAL E CG2 1 
ATOM   875  N N   . HIS C 1 19 ? 2.41126   3.79285   9.31662  1.000 19.30888 ? 19  HIS E N   1 
ATOM   876  C CA  . HIS C 1 19 ? 2.09620   5.10930   8.78245  1.000 22.11552 ? 19  HIS E CA  1 
ATOM   877  C C   . HIS C 1 19 ? 3.13911   5.43586   7.72594  1.000 19.67093 ? 19  HIS E C   1 
ATOM   878  O O   . HIS C 1 19 ? 4.33646   5.44918   8.02081  1.000 21.66146 ? 19  HIS E O   1 
ATOM   879  C CB  . HIS C 1 19 ? 2.07562   6.15087   9.90597  1.000 26.73204 ? 19  HIS E CB  1 
ATOM   880  C CG  . HIS C 1 19 ? 2.05051   7.57179   9.43538  1.000 26.05887 ? 19  HIS E CG  1 
ATOM   881  N ND1 . HIS C 1 19 ? 0.87937   8.27914   9.27187  1.000 45.35507 ? 19  HIS E ND1 1 
ATOM   882  C CD2 . HIS C 1 19 ? 3.05474   8.44203   9.17392  1.000 29.91813 ? 19  HIS E CD2 1 
ATOM   883  C CE1 . HIS C 1 19 ? 1.16092   9.50773   8.87673  1.000 43.33859 ? 19  HIS E CE1 1 
ATOM   884  N NE2 . HIS C 1 19 ? 2.47438   9.63402   8.81310  1.000 38.48132 ? 19  HIS E NE2 1 
ATOM   885  N N   . ASN C 1 20 ? 2.68445   5.64971   6.49060  1.000 24.24571 ? 20  ASN E N   1 
ATOM   886  C CA  . ASN C 1 20 ? 3.56260   6.01280   5.37586  1.000 25.77844 ? 20  ASN E CA  1 
ATOM   887  C C   . ASN C 1 20 ? 4.74244   5.04980   5.22621  1.000 20.51683 ? 20  ASN E C   1 
ATOM   888  O O   . ASN C 1 20 ? 5.90437   5.45414   5.19646  1.000 24.85226 ? 20  ASN E O   1 
ATOM   889  C CB  . ASN C 1 20 ? 4.04970   7.45708   5.53050  1.000 28.30641 ? 20  ASN E CB  1 
ATOM   890  C CG  . ASN C 1 20 ? 2.95094   8.47049   5.24199  1.000 29.37930 ? 20  ASN E CG  1 
ATOM   891  O OD1 . ASN C 1 20 ? 1.82432   8.10061   4.89983  1.000 36.67148 ? 20  ASN E OD1 1 
ATOM   892  N ND2 . ASN C 1 20 ? 3.27266   9.74844   5.37746  1.000 37.95503 ? 20  ASN E ND2 1 
ATOM   893  N N   . ASP C 1 21 ? 4.41739   3.76261   5.09959  1.000 21.55801 ? 21  ASP E N   1 
ATOM   894  C CA  . ASP C 1 21 ? 5.35346   2.65878   4.87418  1.000 23.80689 ? 21  ASP E CA  1 
ATOM   895  C C   . ASP C 1 21 ? 6.23076   2.35159   6.07848  1.000 20.84352 ? 21  ASP E C   1 
ATOM   896  O O   . ASP C 1 21 ? 7.10492   1.47956   5.97772  1.000 21.05922 ? 21  ASP E O   1 
ATOM   897  C CB  . ASP C 1 21 ? 6.28571   2.88256   3.67287  1.000 24.10665 ? 21  ASP E CB  1 
ATOM   898  C CG  . ASP C 1 21 ? 5.54412   3.32648   2.41953  1.000 29.77605 ? 21  ASP E CG  1 
ATOM   899  O OD1 . ASP C 1 21 ? 4.95898   2.44645   1.76003  1.000 30.73905 ? 21  ASP E OD1 1 
ATOM   900  O OD2 . ASP C 1 21 ? 5.57125   4.53500   2.08582  1.000 31.48037 ? 21  ASP E OD2 1 
ATOM   901  N N   . LYS C 1 22 ? 6.03543   3.02658   7.20776  1.000 18.48585 ? 22  LYS E N   1 
ATOM   902  C CA  . LYS C 1 22 ? 6.92076   2.89188   8.35725  1.000 16.28067 ? 22  LYS E CA  1 
ATOM   903  C C   . LYS C 1 22 ? 6.14459   2.28744   9.51737  1.000 18.37997 ? 22  LYS E C   1 
ATOM   904  O O   . LYS C 1 22 ? 4.94076   2.49376   9.64042  1.000 19.39554 ? 22  LYS E O   1 
ATOM   905  C CB  . LYS C 1 22 ? 7.48253   4.25950   8.75475  1.000 17.23531 ? 22  LYS E CB  1 
ATOM   906  C CG  . LYS C 1 22 ? 8.61066   4.72410   7.81780  1.000 22.30542 ? 22  LYS E CG  1 
ATOM   907  C CD  . LYS C 1 22 ? 8.97433   6.20142   7.98263  1.000 29.14902 ? 22  LYS E CD  1 
ATOM   908  C CE  . LYS C 1 22 ? 7.82198   7.14357   7.66185  1.000 40.33843 ? 22  LYS E CE  1 
ATOM   909  N NZ  . LYS C 1 22 ? 7.58713   7.32725   6.19378  1.000 37.58817 ? 22  LYS E NZ  1 
ATOM   910  N N   . LEU C 1 23 ? 6.84958   1.56208   10.38506 1.000 16.62014 ? 23  LEU E N   1 
ATOM   911  C CA  . LEU C 1 23 ? 6.23748   0.87067   11.50786 1.000 18.51386 ? 23  LEU E CA  1 
ATOM   912  C C   . LEU C 1 23 ? 6.69241   1.53898   12.79910 1.000 17.17221 ? 23  LEU E C   1 
ATOM   913  O O   . LEU C 1 23 ? 7.88325   1.82357   12.96369 1.000 17.37816 ? 23  LEU E O   1 
ATOM   914  C CB  . LEU C 1 23 ? 6.62790   -0.60885  11.49610 1.000 17.55619 ? 23  LEU E CB  1 
ATOM   915  C CG  . LEU C 1 23 ? 6.05674   -1.44290  12.63404 1.000 18.43229 ? 23  LEU E CG  1 
ATOM   916  C CD1 . LEU C 1 23 ? 4.53357   -1.47567  12.52500 1.000 16.18088 ? 23  LEU E CD1 1 
ATOM   917  C CD2 . LEU C 1 23 ? 6.61773   -2.82895  12.59145 1.000 18.03496 ? 23  LEU E CD2 1 
ATOM   918  N N   . TYR C 1 24 ? 5.74086   1.79363   13.70488 1.000 16.86180 ? 24  TYR E N   1 
ATOM   919  C CA  . TYR C 1 24 ? 5.97761   2.52711   14.94282 1.000 18.97668 ? 24  TYR E CA  1 
ATOM   920  C C   . TYR C 1 24 ? 5.39663   1.75383   16.11712 1.000 18.28493 ? 24  TYR E C   1 
ATOM   921  O O   . TYR C 1 24 ? 4.41375   1.02488   15.96070 1.000 16.47227 ? 24  TYR E O   1 
ATOM   922  C CB  . TYR C 1 24 ? 5.31491   3.91135   14.90952 1.000 17.37305 ? 24  TYR E CB  1 
ATOM   923  C CG  . TYR C 1 24 ? 5.83570   4.83222   13.83397 1.000 17.50841 ? 24  TYR E CG  1 
ATOM   924  C CD1 . TYR C 1 24 ? 5.26507   4.84121   12.56566 1.000 21.49522 ? 24  TYR E CD1 1 
ATOM   925  C CD2 . TYR C 1 24 ? 6.88701   5.70801   14.08980 1.000 19.06446 ? 24  TYR E CD2 1 
ATOM   926  C CE1 . TYR C 1 24 ? 5.74678   5.69226   11.56659 1.000 21.62444 ? 24  TYR E CE1 1 
ATOM   927  C CE2 . TYR C 1 24 ? 7.36533   6.56700   13.09494 1.000 24.06941 ? 24  TYR E CE2 1 
ATOM   928  C CZ  . TYR C 1 24 ? 6.78446   6.55237   11.84121 1.000 28.19538 ? 24  TYR E CZ  1 
ATOM   929  O OH  . TYR C 1 24 ? 7.24510   7.40309   10.85578 1.000 24.07090 ? 24  TYR E OH  1 
ATOM   930  N N   . LYS C 1 25 ? 5.97876   1.93926   17.30411 1.000 18.00025 ? 25  LYS E N   1 
ATOM   931  C CA  . LYS C 1 25 ? 5.39809   1.34799   18.50524 1.000 17.46411 ? 25  LYS E CA  1 
ATOM   932  C C   . LYS C 1 25 ? 5.57782   2.28783   19.68502 1.000 18.44537 ? 25  LYS E C   1 
ATOM   933  O O   . LYS C 1 25 ? 6.50891   3.10187   19.72284 1.000 18.98545 ? 25  LYS E O   1 
ATOM   934  C CB  . LYS C 1 25 ? 6.01530   -0.01338  18.85963 1.000 20.53223 ? 25  LYS E CB  1 
ATOM   935  C CG  . LYS C 1 25 ? 7.48687   0.04392   19.30516 1.000 20.96675 ? 25  LYS E CG  1 
ATOM   936  C CD  . LYS C 1 25 ? 7.96633   -1.30782  19.79126 1.000 24.14572 ? 25  LYS E CD  1 
ATOM   937  C CE  . LYS C 1 25 ? 9.37381   -1.21767  20.39351 1.000 27.33808 ? 25  LYS E CE  1 
ATOM   938  N NZ  . LYS C 1 25 ? 9.90786   -2.54940  20.79895 1.000 32.49991 ? 25  LYS E NZ  1 
ATOM   939  N N   . GLY C 1 26 ? 4.69793   2.13259   20.67213 1.000 17.51477 ? 26  GLY E N   1 
ATOM   940  C CA  . GLY C 1 26 ? 4.81678   2.89532   21.90549 1.000 19.41607 ? 26  GLY E CA  1 
ATOM   941  C C   . GLY C 1 26 ? 3.60653   2.68371   22.78554 1.000 18.53313 ? 26  GLY E C   1 
ATOM   942  O O   . GLY C 1 26 ? 2.57913   2.15517   22.36367 1.000 18.69448 ? 26  GLY E O   1 
ATOM   943  N N   . THR C 1 27 ? 3.74355   3.09461   24.04402 1.000 17.98663 ? 27  THR E N   1 
ATOM   944  C CA  . THR C 1 27 ? 2.57468   3.08020   24.91182 1.000 17.14547 ? 27  THR E CA  1 
ATOM   945  C C   . THR C 1 27 ? 1.48773   3.95083   24.29027 1.000 18.27332 ? 27  THR E C   1 
ATOM   946  O O   . THR C 1 27 ? 1.79558   4.98372   23.67455 1.000 20.63056 ? 27  THR E O   1 
ATOM   947  C CB  . THR C 1 27 ? 2.93879   3.58441   26.31123 1.000 27.17659 ? 27  THR E CB  1 
ATOM   948  O OG1 . THR C 1 27 ? 3.18516   4.99242   26.26403 1.000 45.04171 ? 27  THR E OG1 1 
ATOM   949  C CG2 . THR C 1 27 ? 4.20121   2.90970   26.76119 1.000 20.23319 ? 27  THR E CG2 1 
ATOM   950  N N   . PRO C 1 28 ? 0.22400   3.54707   24.37081 1.000 18.10849 ? 28  PRO E N   1 
ATOM   951  C CA  . PRO C 1 28 ? -0.83454  4.29595   23.68032 1.000 18.60516 ? 28  PRO E CA  1 
ATOM   952  C C   . PRO C 1 28 ? -0.95536  5.70633   24.22379 1.000 20.44625 ? 28  PRO E C   1 
ATOM   953  O O   . PRO C 1 28 ? -0.51013  5.99321   25.34727 1.000 22.09067 ? 28  PRO E O   1 
ATOM   954  C CB  . PRO C 1 28 ? -2.09993  3.46405   23.95799 1.000 23.29731 ? 28  PRO E CB  1 
ATOM   955  C CG  . PRO C 1 28 ? -1.75428  2.64190   25.15519 1.000 19.34539 ? 28  PRO E CG  1 
ATOM   956  C CD  . PRO C 1 28 ? -0.30082  2.32744   25.00946 1.000 18.91641 ? 28  PRO E CD  1 
ATOM   957  N N   . PRO C 1 29 ? -1.51690  6.62364   23.44027 1.000 20.53252 ? 29  PRO E N   1 
ATOM   958  C CA  . PRO C 1 29 ? -1.70298  7.99736   23.91942 1.000 18.15932 ? 29  PRO E CA  1 
ATOM   959  C C   . PRO C 1 29 ? -2.77275  8.04742   24.99979 1.000 21.70857 ? 29  PRO E C   1 
ATOM   960  O O   . PRO C 1 29 ? -3.75039  7.29428   24.97410 1.000 20.04528 ? 29  PRO E O   1 
ATOM   961  C CB  . PRO C 1 29 ? -2.15035  8.75104   22.65689 1.000 20.34836 ? 29  PRO E CB  1 
ATOM   962  C CG  . PRO C 1 29 ? -2.85789  7.70022   21.85166 1.000 22.21799 ? 29  PRO E CG  1 
ATOM   963  C CD  . PRO C 1 29 ? -2.10940  6.41656   22.10094 1.000 21.67856 ? 29  PRO E CD  1 
ATOM   964  N N   . THR C 1 30 ? -2.59066  8.96861   25.94891 1.000 19.83778 ? 30  THR E N   1 
ATOM   965  C CA  . THR C 1 30 ? -3.44182  9.01615   27.13719 1.000 21.82201 ? 30  THR E CA  1 
ATOM   966  C C   . THR C 1 30 ? -4.35863  10.23351  27.20170 1.000 26.65587 ? 30  THR E C   1 
ATOM   967  O O   . THR C 1 30 ? -5.24647  10.27593  28.06500 1.000 24.60506 ? 30  THR E O   1 
ATOM   968  C CB  . THR C 1 30 ? -2.56958  8.95597   28.39656 1.000 22.32552 ? 30  THR E CB  1 
ATOM   969  O OG1 . THR C 1 30 ? -1.59966  10.00740  28.34717 1.000 22.64460 ? 30  THR E OG1 1 
ATOM   970  C CG2 . THR C 1 30 ? -1.83909  7.60808   28.47389 1.000 22.32342 ? 30  THR E CG2 1 
ATOM   971  N N   . SER C 1 31 ? -4.18958  11.19951  26.30506 1.000 25.20882 ? 31  SER E N   1 
ATOM   972  C CA  . SER C 1 31 ? -5.07816  12.34859  26.18168 1.000 30.78782 ? 31  SER E CA  1 
ATOM   973  C C   . SER C 1 31 ? -4.83277  12.95812  24.81039 1.000 28.71804 ? 31  SER E C   1 
ATOM   974  O O   . SER C 1 31 ? -3.90066  12.57283  24.10662 1.000 27.43239 ? 31  SER E O   1 
ATOM   975  C CB  . SER C 1 31 ? -4.81763  13.38683  27.27324 1.000 23.91625 ? 31  SER E CB  1 
ATOM   976  O OG  . SER C 1 31 ? -3.65353  14.13223  26.94185 1.000 29.06307 ? 31  SER E OG  1 
ATOM   977  N N   . ASP C 1 32 ? -5.65977  13.94187  24.44728 1.000 32.55656 ? 32  ASP E N   1 
ATOM   978  C CA  . ASP C 1 32 ? -5.47496  14.57125  23.14482 1.000 32.76730 ? 32  ASP E CA  1 
ATOM   979  C C   . ASP C 1 32 ? -4.26768  15.49472  23.11008 1.000 38.42819 ? 32  ASP E C   1 
ATOM   980  O O   . ASP C 1 32 ? -3.90173  15.96586  22.02797 1.000 38.74365 ? 32  ASP E O   1 
ATOM   981  C CB  . ASP C 1 32 ? -6.72953  15.33891  22.72999 1.000 40.28496 ? 32  ASP E CB  1 
ATOM   982  C CG  . ASP C 1 32 ? -7.08077  16.45292  23.68719 1.000 46.06762 ? 32  ASP E CG  1 
ATOM   983  O OD1 . ASP C 1 32 ? -6.70516  16.37005  24.87372 1.000 54.93647 ? 32  ASP E OD1 1 
ATOM   984  O OD2 . ASP C 1 32 ? -7.75490  17.40826  23.24672 1.000 58.33219 ? 32  ASP E OD2 1 
ATOM   985  N N   . LYS C 1 33 ? -3.63822  15.75537  24.25041 1.000 29.63279 ? 33  LYS E N   1 
ATOM   986  C CA  . LYS C 1 33 ? -2.37972  16.48482  24.27783 1.000 34.50107 ? 33  LYS E CA  1 
ATOM   987  C C   . LYS C 1 33 ? -1.17230  15.58049  24.06790 1.000 36.70248 ? 33  LYS E C   1 
ATOM   988  O O   . LYS C 1 33 ? -0.04503  16.08375  24.00681 1.000 40.57883 ? 33  LYS E O   1 
ATOM   989  C CB  . LYS C 1 33 ? -2.23263  17.23949  25.60478 1.000 29.68160 ? 33  LYS E CB  1 
ATOM   990  C CG  . LYS C 1 33 ? -3.48795  17.96033  26.06964 0.000 34.18446 ? 33  LYS E CG  1 
ATOM   991  C CD  . LYS C 1 33 ? -3.28781  19.46788  26.05318 0.000 34.78851 ? 33  LYS E CD  1 
ATOM   992  C CE  . LYS C 1 33 ? -4.60404  20.20939  25.88812 0.000 35.83344 ? 33  LYS E CE  1 
ATOM   993  N NZ  . LYS C 1 33 ? -4.85241  20.59592  24.47318 0.000 37.14799 ? 33  LYS E NZ  1 
ATOM   994  N N   . ASP C 1 34 ? -1.37399  14.26756  23.94745 1.000 25.84673 ? 34  ASP E N   1 
ATOM   995  C CA  . ASP C 1 34 ? -0.27459  13.30398  23.87781 1.000 26.90753 ? 34  ASP E CA  1 
ATOM   996  C C   . ASP C 1 34 ? -0.03163  12.96443  22.40874 1.000 26.72484 ? 34  ASP E C   1 
ATOM   997  O O   . ASP C 1 34 ? -0.81651  12.23180  21.80249 1.000 26.67724 ? 34  ASP E O   1 
ATOM   998  C CB  . ASP C 1 34 ? -0.61825  12.05923  24.69696 1.000 23.27101 ? 34  ASP E CB  1 
ATOM   999  C CG  . ASP C 1 34 ? 0.53198   11.07278  24.81140 1.000 22.04987 ? 34  ASP E CG  1 
ATOM   1000 O OD1 . ASP C 1 34 ? 1.65453   11.34522  24.32042 1.000 24.93263 ? 34  ASP E OD1 1 
ATOM   1001 O OD2 . ASP C 1 34 ? 0.29866   9.99301   25.40485 1.000 24.21852 ? 34  ASP E OD2 1 
ATOM   1002 N N   . ASN C 1 35 ? 1.05413   13.49809  21.84268 1.000 26.06621 ? 35  ASN E N   1 
ATOM   1003 C CA  . ASN C 1 35 ? 1.36407   13.34074  20.41902 1.000 37.28419 ? 35  ASN E CA  1 
ATOM   1004 C C   . ASN C 1 35 ? 2.06034   12.00286  20.21059 1.000 23.61758 ? 35  ASN E C   1 
ATOM   1005 O O   . ASN C 1 35 ? 3.28368   11.90365  20.34370 1.000 25.28912 ? 35  ASN E O   1 
ATOM   1006 C CB  . ASN C 1 35 ? 2.24449   14.48788  19.93297 1.000 32.56307 ? 35  ASN E CB  1 
ATOM   1007 C CG  . ASN C 1 35 ? 1.49079   15.80300  19.82224 1.000 53.21262 ? 35  ASN E CG  1 
ATOM   1008 O OD1 . ASN C 1 35 ? 0.28244   15.82511  19.57608 1.000 52.55083 ? 35  ASN E OD1 1 
ATOM   1009 N ND2 . ASN C 1 35 ? 2.20572   16.90949  20.00479 1.000 52.16162 ? 35  ASN E ND2 1 
ATOM   1010 N N   . TRP C 1 36 ? 1.28778   10.97275  19.84607 1.000 25.39576 ? 36  TRP E N   1 
ATOM   1011 C CA  . TRP C 1 36 ? 1.81683   9.61031   19.88154 1.000 23.56666 ? 36  TRP E CA  1 
ATOM   1012 C C   . TRP C 1 36 ? 2.90621   9.40896   18.83813 1.000 26.27151 ? 36  TRP E C   1 
ATOM   1013 O O   . TRP C 1 36 ? 3.99881   8.91451   19.14683 1.000 22.94212 ? 36  TRP E O   1 
ATOM   1014 C CB  . TRP C 1 36 ? 0.68500   8.59649   19.68478 1.000 24.69375 ? 36  TRP E CB  1 
ATOM   1015 C CG  . TRP C 1 36 ? 1.14506   7.17512   19.84823 1.000 20.31828 ? 36  TRP E CG  1 
ATOM   1016 C CD1 . TRP C 1 36 ? 1.31030   6.48484   21.02859 1.000 18.76298 ? 36  TRP E CD1 1 
ATOM   1017 C CD2 . TRP C 1 36 ? 1.50800   6.26701   18.79812 1.000 18.55156 ? 36  TRP E CD2 1 
ATOM   1018 N NE1 . TRP C 1 36 ? 1.76566   5.21199   20.76856 1.000 20.48502 ? 36  TRP E NE1 1 
ATOM   1019 C CE2 . TRP C 1 36 ? 1.88904   5.04876   19.40855 1.000 17.21713 ? 36  TRP E CE2 1 
ATOM   1020 C CE3 . TRP C 1 36 ? 1.55584   6.36969   17.39807 1.000 21.29033 ? 36  TRP E CE3 1 
ATOM   1021 C CZ2 . TRP C 1 36 ? 2.29870   3.93576   18.66875 1.000 21.02454 ? 36  TRP E CZ2 1 
ATOM   1022 C CZ3 . TRP C 1 36 ? 1.97086   5.26456   16.66222 1.000 18.65624 ? 36  TRP E CZ3 1 
ATOM   1023 C CH2 . TRP C 1 36 ? 2.33676   4.06294   17.30039 1.000 18.77267 ? 36  TRP E CH2 1 
ATOM   1024 N N   . LEU C 1 37 ? 2.63292   9.80384   17.59456 1.000 23.73567 ? 37  LEU E N   1 
ATOM   1025 C CA  . LEU C 1 37 ? 3.59720   9.56409   16.53202 1.000 24.17538 ? 37  LEU E CA  1 
ATOM   1026 C C   . LEU C 1 37 ? 4.90863   10.28843  16.80031 1.000 25.58059 ? 37  LEU E C   1 
ATOM   1027 O O   . LEU C 1 37 ? 5.97667   9.80203   16.41383 1.000 27.87735 ? 37  LEU E O   1 
ATOM   1028 C CB  . LEU C 1 37 ? 2.98836   9.99459   15.19481 1.000 30.22820 ? 37  LEU E CB  1 
ATOM   1029 C CG  . LEU C 1 37 ? 3.50402   9.34309   13.91640 1.000 31.35315 ? 37  LEU E CG  1 
ATOM   1030 C CD1 . LEU C 1 37 ? 3.73621   7.85027   14.07343 1.000 30.24467 ? 37  LEU E CD1 1 
ATOM   1031 C CD2 . LEU C 1 37 ? 2.52209   9.62832   12.77770 1.000 37.58028 ? 37  LEU E CD2 1 
ATOM   1032 N N   . ALA C 1 38 ? 4.85103   11.42314  17.50639 1.000 27.93712 ? 38  ALA E N   1 
ATOM   1033 C CA  . ALA C 1 38 ? 6.05649   12.18856  17.81736 1.000 29.60603 ? 38  ALA E CA  1 
ATOM   1034 C C   . ALA C 1 38 ? 6.99441   11.42899  18.75488 1.000 26.50261 ? 38  ALA E C   1 
ATOM   1035 O O   . ALA C 1 38 ? 8.21983   11.54385  18.64067 1.000 29.73666 ? 38  ALA E O   1 
ATOM   1036 C CB  . ALA C 1 38 ? 5.66858   13.53081  18.43728 1.000 34.81093 ? 38  ALA E CB  1 
ATOM   1037 N N   . ARG C 1 39 ? 6.44607   10.66086  19.69901 1.000 25.44767 ? 39  ARG E N   1 
ATOM   1038 C CA  . ARG C 1 39 ? 7.27330   9.95725   20.67363 1.000 21.09385 ? 39  ARG E CA  1 
ATOM   1039 C C   . ARG C 1 39 ? 7.36645   8.45713   20.42160 1.000 24.88261 ? 39  ARG E C   1 
ATOM   1040 O O   . ARG C 1 39 ? 8.13639   7.77824   21.10915 1.000 23.46996 ? 39  ARG E O   1 
ATOM   1041 C CB  . ARG C 1 39 ? 6.73347   10.17744  22.09508 1.000 27.92469 ? 39  ARG E CB  1 
ATOM   1042 C CG  . ARG C 1 39 ? 5.37674   9.52455   22.33955 1.000 22.76976 ? 39  ARG E CG  1 
ATOM   1043 C CD  . ARG C 1 39 ? 4.97992   9.65145   23.82106 1.000 25.41537 ? 39  ARG E CD  1 
ATOM   1044 N NE  . ARG C 1 39 ? 3.58554   9.29372   24.06101 1.000 20.48189 ? 39  ARG E NE  1 
ATOM   1045 C CZ  . ARG C 1 39 ? 3.12118   8.05078   24.06013 1.000 21.46958 ? 39  ARG E CZ  1 
ATOM   1046 N NH1 . ARG C 1 39 ? 3.91017   7.01875   23.80198 1.000 17.69745 ? 39  ARG E NH1 1 
ATOM   1047 N NH2 . ARG C 1 39 ? 1.83350   7.83660   24.33087 1.000 18.96527 ? 39  ARG E NH2 1 
ATOM   1048 N N   . ALA C 1 40 ? 6.60488   7.92468   19.47207 1.000 22.91521 ? 40  ALA E N   1 
ATOM   1049 C CA  . ALA C 1 40 ? 6.67283   6.50458   19.16366 1.000 20.08946 ? 40  ALA E CA  1 
ATOM   1050 C C   . ALA C 1 40 ? 8.04540   6.13625   18.62508 1.000 25.10673 ? 40  ALA E C   1 
ATOM   1051 O O   . ALA C 1 40 ? 8.71877   6.93762   17.96814 1.000 30.44467 ? 40  ALA E O   1 
ATOM   1052 C CB  . ALA C 1 40 ? 5.60342   6.12480   18.13616 1.000 21.12346 ? 40  ALA E CB  1 
ATOM   1053 N N   . THR C 1 41 ? 8.44163   4.89349   18.87626 1.000 20.08497 ? 41  THR E N   1 
ATOM   1054 C CA  . THR C 1 41 ? 9.71372   4.38376   18.38980 1.000 18.78662 ? 41  THR E CA  1 
ATOM   1055 C C   . THR C 1 41 ? 9.55455   3.89170   16.95644 1.000 24.02650 ? 41  THR E C   1 
ATOM   1056 O O   . THR C 1 41 ? 8.65537   3.09812   16.66560 1.000 19.03517 ? 41  THR E O   1 
ATOM   1057 C CB  . THR C 1 41 ? 10.19234  3.24257   19.28309 1.000 23.08210 ? 41  THR E CB  1 
ATOM   1058 O OG1 . THR C 1 41 ? 10.28499  3.70930   20.63433 1.000 26.60976 ? 41  THR E OG1 1 
ATOM   1059 C CG2 . THR C 1 41 ? 11.55838  2.73230   18.83584 1.000 28.02801 ? 41  THR E CG2 1 
ATOM   1060 N N   . LEU C 1 42 ? 10.41751  4.36810   16.06276 1.000 21.94193 ? 42  LEU E N   1 
ATOM   1061 C CA  . LEU C 1 42 ? 10.43328  3.87398   14.68988 1.000 19.56282 ? 42  LEU E CA  1 
ATOM   1062 C C   . LEU C 1 42 ? 11.13104  2.51961   14.66037 1.000 19.00441 ? 42  LEU E C   1 
ATOM   1063 O O   . LEU C 1 42 ? 12.30231  2.40820   15.04330 1.000 21.29427 ? 42  LEU E O   1 
ATOM   1064 C CB  . LEU C 1 42 ? 11.13136  4.88218   13.77724 1.000 21.66786 ? 42  LEU E CB  1 
ATOM   1065 C CG  . LEU C 1 42 ? 11.35256  4.47626   12.32071 1.000 23.52443 ? 42  LEU E CG  1 
ATOM   1066 C CD1 . LEU C 1 42 ? 10.01991  4.48730   11.58400 1.000 23.97975 ? 42  LEU E CD1 1 
ATOM   1067 C CD2 . LEU C 1 42 ? 12.33948  5.43724   11.66776 1.000 29.01166 ? 42  LEU E CD2 1 
ATOM   1068 N N   . ILE C 1 43 ? 10.40609  1.47590   14.25873 1.000 19.91112 ? 43  ILE E N   1 
ATOM   1069 C CA  . ILE C 1 43 ? 10.95873  0.12733   14.23587 1.000 18.24058 ? 43  ILE E CA  1 
ATOM   1070 C C   . ILE C 1 43 ? 10.95283  -0.47024  12.84592 1.000 23.54600 ? 43  ILE E C   1 
ATOM   1071 O O   . ILE C 1 43 ? 11.31007  -1.63959  12.68324 1.000 28.56609 ? 43  ILE E O   1 
ATOM   1072 C CB  . ILE C 1 43 ? 10.23499  -0.80831  15.21690 1.000 21.14048 ? 43  ILE E CB  1 
ATOM   1073 C CG1 . ILE C 1 43 ? 8.71715   -0.77491  14.97811 1.000 19.94614 ? 43  ILE E CG1 1 
ATOM   1074 C CG2 . ILE C 1 43 ? 10.62547  -0.42863  16.65067 1.000 21.24081 ? 43  ILE E CG2 1 
ATOM   1075 C CD1 . ILE C 1 43 ? 7.95632   -1.85160  15.78091 1.000 21.03296 ? 43  ILE E CD1 1 
ATOM   1076 N N   . GLY C 1 44 ? 10.55970  0.29918   11.84598 1.000 22.72932 ? 44  GLY E N   1 
ATOM   1077 C CA  . GLY C 1 44 ? 10.62176  -0.15386  10.47353 1.000 21.73034 ? 44  GLY E CA  1 
ATOM   1078 C C   . GLY C 1 44 ? 10.57847  1.01775   9.52638  1.000 28.27159 ? 44  GLY E C   1 
ATOM   1079 O O   . GLY C 1 44 ? 9.66162   1.84302   9.59320  1.000 21.27573 ? 44  GLY E O   1 
ATOM   1080 N N   . ASN C 1 45 ? 11.57428  1.11798   8.65160  1.000 25.97458 ? 45  ASN E N   1 
ATOM   1081 C CA  . ASN C 1 45 ? 11.61070  2.16365   7.64000  1.000 34.74553 ? 45  ASN E CA  1 
ATOM   1082 C C   . ASN C 1 45 ? 11.42465  1.46962   6.29886  1.000 33.88702 ? 45  ASN E C   1 
ATOM   1083 O O   . ASN C 1 45 ? 12.38450  1.01092   5.67502  1.000 50.58546 ? 45  ASN E O   1 
ATOM   1084 C CB  . ASN C 1 45 ? 12.90339  2.96875   7.68059  1.000 35.83112 ? 45  ASN E CB  1 
ATOM   1085 C CG  . ASN C 1 45 ? 12.74303  4.33907   7.05563  1.000 50.13758 ? 45  ASN E CG  1 
ATOM   1086 O OD1 . ASN C 1 45 ? 11.92601  4.52928   6.14629  1.000 50.59665 ? 45  ASN E OD1 1 
ATOM   1087 N ND2 . ASN C 1 45 ? 13.49399  5.31031   7.55950  1.000 48.73757 ? 45  ASN E ND2 1 
ATOM   1088 N N   . GLY C 1 46 ? 10.18265  1.36979   5.88087  1.000 35.50261 ? 46  GLY E N   1 
ATOM   1089 C CA  . GLY C 1 46 ? 9.89268   0.89283   4.55167  1.000 27.56196 ? 46  GLY E CA  1 
ATOM   1090 C C   . GLY C 1 46 ? 9.42554   -0.54695  4.53632  1.000 23.39311 ? 46  GLY E C   1 
ATOM   1091 O O   . GLY C 1 46 ? 9.79613   -1.36852  5.38717  1.000 22.72345 ? 46  GLY E O   1 
ATOM   1092 N N   . GLY C 1 47 ? 8.59083   -0.85681  3.55450  1.000 24.68042 ? 47  GLY E N   1 
ATOM   1093 C CA  . GLY C 1 47 ? 8.15213   -2.20822  3.30672  1.000 31.70063 ? 47  GLY E CA  1 
ATOM   1094 C C   . GLY C 1 47 ? 6.84063   -2.59392  3.95069  1.000 25.04338 ? 47  GLY E C   1 
ATOM   1095 O O   . GLY C 1 47 ? 6.30742   -3.65799  3.61821  1.000 21.07368 ? 47  GLY E O   1 
ATOM   1096 N N   . TRP C 1 48 ? 6.30453   -1.77142  4.85455  1.000 21.58445 ? 48  TRP E N   1 
ATOM   1097 C CA  . TRP C 1 48 ? 5.08261   -2.11377  5.59228  1.000 19.38268 ? 48  TRP E CA  1 
ATOM   1098 C C   . TRP C 1 48 ? 3.82731   -1.60056  4.88641  1.000 22.17852 ? 48  TRP E C   1 
ATOM   1099 O O   . TRP C 1 48 ? 2.74049   -2.19643  4.96729  1.000 20.66953 ? 48  TRP E O   1 
ATOM   1100 C CB  . TRP C 1 48 ? 5.16882   -1.55896  7.01562  1.000 22.05525 ? 48  TRP E CB  1 
ATOM   1101 C CG  . TRP C 1 48 ? 6.42801   -2.01114  7.67002  1.000 19.85897 ? 48  TRP E CG  1 
ATOM   1102 C CD1 . TRP C 1 48 ? 7.60277   -1.33008  7.73377  1.000 19.90331 ? 48  TRP E CD1 1 
ATOM   1103 C CD2 . TRP C 1 48 ? 6.64887   -3.26150  8.33718  1.000 20.03294 ? 48  TRP E CD2 1 
ATOM   1104 N NE1 . TRP C 1 48 ? 8.55124   -2.08120  8.38349  1.000 22.17521 ? 48  TRP E NE1 1 
ATOM   1105 C CE2 . TRP C 1 48 ? 7.98903   -3.26742  8.77398  1.000 21.57290 ? 48  TRP E CE2 1 
ATOM   1106 C CE3 . TRP C 1 48 ? 5.84489   -4.37480  8.60238  1.000 21.66413 ? 48  TRP E CE3 1 
ATOM   1107 C CZ2 . TRP C 1 48 ? 8.54673   -4.34098  9.47217  1.000 19.28790 ? 48  TRP E CZ2 1 
ATOM   1108 C CZ3 . TRP C 1 48 ? 6.40048   -5.44739  9.28406  1.000 17.83418 ? 48  TRP E CZ3 1 
ATOM   1109 C CH2 . TRP C 1 48 ? 7.73959   -5.42498  9.70791  1.000 19.13615 ? 48  TRP E CH2 1 
ATOM   1110 O OXT . TRP C 1 48 ? 3.89501   -0.57974  4.19530  1.000 23.73618 ? 48  TRP E OXT 1 
ATOM   1111 N N   . MET D 1 1  ? -0.77565  -5.23651  -4.38378 1.000 55.90639 ? 1   MET D N   1 
ATOM   1112 C CA  . MET D 1 1  ? -0.96309  -4.07559  -3.51732 1.000 32.64263 ? 1   MET D CA  1 
ATOM   1113 C C   . MET D 1 1  ? 0.29646   -3.89194  -2.65395 1.000 34.38051 ? 1   MET D C   1 
ATOM   1114 O O   . MET D 1 1  ? 1.07634   -4.83152  -2.50645 1.000 36.90457 ? 1   MET D O   1 
ATOM   1115 C CB  . MET D 1 1  ? -2.18494  -4.27202  -2.64860 1.000 44.36944 ? 1   MET D CB  1 
ATOM   1116 C CG  . MET D 1 1  ? -2.99587  -3.04279  -2.55227 0.320 29.47089 ? 1   MET D CG  1 
ATOM   1117 S SD  . MET D 1 1  ? -3.94210  -3.09746  -4.08619 0.470 34.09375 ? 1   MET D SD  1 
ATOM   1118 C CE  . MET D 1 1  ? -5.29897  -2.06503  -3.73294 0.320 34.93764 ? 1   MET D CE  1 
ATOM   1119 N N   . SER D 1 2  ? 0.49644   -2.70787  -2.06647 1.000 22.63760 ? 2   SER D N   1 
ATOM   1120 C CA  . SER D 1 2  ? 1.80892   -2.36009  -1.53229 1.000 22.53911 ? 2   SER D CA  1 
ATOM   1121 C C   . SER D 1 2  ? 1.90995   -2.70120  -0.04995 1.000 21.82787 ? 2   SER D C   1 
ATOM   1122 O O   . SER D 1 2  ? 0.90661   -2.74903  0.66515  1.000 21.89091 ? 2   SER D O   1 
ATOM   1123 C CB  . SER D 1 2  ? 2.11814   -0.87264  -1.74326 1.000 22.95312 ? 2   SER D CB  1 
ATOM   1124 O OG  . SER D 1 2  ? 1.86707   -0.48280  -3.08743 1.000 26.96069 ? 2   SER D OG  1 
ATOM   1125 N N   . GLY D 1 3  ? 3.14082   -2.94275  0.39318  1.000 22.68475 ? 3   GLY D N   1 
ATOM   1126 C CA  . GLY D 1 3  ? 3.40972   -3.33210  1.76374  1.000 17.62951 ? 3   GLY D CA  1 
ATOM   1127 C C   . GLY D 1 3  ? 2.65479   -4.58855  2.15778  1.000 18.88585 ? 3   GLY D C   1 
ATOM   1128 O O   . GLY D 1 3  ? 2.42016   -5.49723  1.35293  1.000 19.78409 ? 3   GLY D O   1 
ATOM   1129 N N   . PHE D 1 4  ? 2.27932   -4.64502  3.43184  1.000 17.49675 ? 4   PHE D N   1 
ATOM   1130 C CA  . PHE D 1 4  ? 1.60182   -5.80348  3.98274  1.000 15.12574 ? 4   PHE D CA  1 
ATOM   1131 C C   . PHE D 1 4  ? 0.09717   -5.70586  3.80728  1.000 20.16887 ? 4   PHE D C   1 
ATOM   1132 O O   . PHE D 1 4  ? -0.48352  -4.61465  3.74809  1.000 21.17836 ? 4   PHE D O   1 
ATOM   1133 C CB  . PHE D 1 4  ? 1.90801   -5.94841  5.47932  1.000 16.16751 ? 4   PHE D CB  1 
ATOM   1134 C CG  . PHE D 1 4  ? 3.24124   -6.55205  5.76312  1.000 14.85727 ? 4   PHE D CG  1 
ATOM   1135 C CD1 . PHE D 1 4  ? 4.40146   -5.89481  5.39893  1.000 16.26668 ? 4   PHE D CD1 1 
ATOM   1136 C CD2 . PHE D 1 4  ? 3.33441   -7.77476  6.41403  1.000 17.04538 ? 4   PHE D CD2 1 
ATOM   1137 C CE1 . PHE D 1 4  ? 5.64690   -6.45114  5.67398  1.000 24.51122 ? 4   PHE D CE1 1 
ATOM   1138 C CE2 . PHE D 1 4  ? 4.57154   -8.33341  6.69774  1.000 16.53413 ? 4   PHE D CE2 1 
ATOM   1139 C CZ  . PHE D 1 4  ? 5.73465   -7.66578  6.31275  1.000 19.14303 ? 4   PHE D CZ  1 
ATOM   1140 N N   . LYS D 1 5  ? -0.53409  -6.87450  3.74883  1.000 17.03338 ? 5   LYS D N   1 
ATOM   1141 C CA  . LYS D 1 5  ? -1.97998  -6.99901  3.67739  1.000 17.27041 ? 5   LYS D CA  1 
ATOM   1142 C C   . LYS D 1 5  ? -2.61240  -7.11003  5.05763  1.000 15.78415 ? 5   LYS D C   1 
ATOM   1143 O O   . LYS D 1 5  ? -3.66234  -6.50780  5.32114  1.000 17.65810 ? 5   LYS D O   1 
ATOM   1144 C CB  . LYS D 1 5  ? -2.34977  -8.23039  2.84836  1.000 20.73300 ? 5   LYS D CB  1 
ATOM   1145 C CG  . LYS D 1 5  ? -3.84729  -8.43602  2.70421  1.000 22.49135 ? 5   LYS D CG  1 
ATOM   1146 C CD  . LYS D 1 5  ? -4.16323  -9.65604  1.84996  1.000 22.33339 ? 5   LYS D CD  1 
ATOM   1147 C CE  . LYS D 1 5  ? -5.67673  -9.85974  1.73211  1.000 33.24312 ? 5   LYS D CE  1 
ATOM   1148 N NZ  . LYS D 1 5  ? -6.01621  -11.10321 0.98467  1.000 27.11074 ? 5   LYS D NZ  1 
ATOM   1149 N N   . PHE D 1 6  ? -1.98521  -7.89588  5.93225  1.000 14.84692 ? 6   PHE D N   1 
ATOM   1150 C CA  . PHE D 1 6  ? -2.39420  -8.05277  7.31443  1.000 14.75440 ? 6   PHE D CA  1 
ATOM   1151 C C   . PHE D 1 6  ? -1.14398  -7.94131  8.16863  1.000 16.07008 ? 6   PHE D C   1 
ATOM   1152 O O   . PHE D 1 6  ? -0.05001  -8.30512  7.73305  1.000 17.24730 ? 6   PHE D O   1 
ATOM   1153 C CB  . PHE D 1 6  ? -3.05250  -9.41320  7.58457  1.000 15.33440 ? 6   PHE D CB  1 
ATOM   1154 C CG  . PHE D 1 6  ? -4.37823  -9.61732  6.88531  1.000 19.13451 ? 6   PHE D CG  1 
ATOM   1155 C CD1 . PHE D 1 6  ? -5.50471  -8.90882  7.27191  1.000 17.40793 ? 6   PHE D CD1 1 
ATOM   1156 C CD2 . PHE D 1 6  ? -4.48557  -10.52986 5.85094  1.000 19.02540 ? 6   PHE D CD2 1 
ATOM   1157 C CE1 . PHE D 1 6  ? -6.73783  -9.10110  6.63614  1.000 21.16601 ? 6   PHE D CE1 1 
ATOM   1158 C CE2 . PHE D 1 6  ? -5.70785  -10.72643 5.19939  1.000 21.37178 ? 6   PHE D CE2 1 
ATOM   1159 C CZ  . PHE D 1 6  ? -6.83794  -10.01271 5.59992  1.000 20.83450 ? 6   PHE D CZ  1 
ATOM   1160 N N   . LEU D 1 7  ? -1.31367  -7.44549  9.38957  1.000 14.61267 ? 7   LEU D N   1 
ATOM   1161 C CA  . LEU D 1 7  ? -0.18319  -7.34327  10.31106 1.000 14.60195 ? 7   LEU D CA  1 
ATOM   1162 C C   . LEU D 1 7  ? -0.77033  -7.31348  11.70697 1.000 15.26183 ? 7   LEU D C   1 
ATOM   1163 O O   . LEU D 1 7  ? -1.49099  -6.36816  12.03369 1.000 15.48915 ? 7   LEU D O   1 
ATOM   1164 C CB  . LEU D 1 7  ? 0.64946   -6.08822  10.03022 1.000 15.67929 ? 7   LEU D CB  1 
ATOM   1165 C CG  . LEU D 1 7  ? 1.93415   -5.97469  10.85139 1.000 15.54392 ? 7   LEU D CG  1 
ATOM   1166 C CD1 . LEU D 1 7  ? 2.91521   -7.03821  10.39791 1.000 17.52559 ? 7   LEU D CD1 1 
ATOM   1167 C CD2 . LEU D 1 7  ? 2.54966   -4.59874  10.64059 1.000 16.72417 ? 7   LEU D CD2 1 
ATOM   1168 N N   . PHE D 1 8  ? -0.48491  -8.33814  12.51200 1.000 13.66356 ? 8   PHE D N   1 
ATOM   1169 C CA  . PHE D 1 8  ? -1.26559  -8.54814  13.72911 1.000 16.36908 ? 8   PHE D CA  1 
ATOM   1170 C C   . PHE D 1 8  ? -0.52219  -9.46950  14.68560 1.000 15.37593 ? 8   PHE D C   1 
ATOM   1171 O O   . PHE D 1 8  ? 0.34239   -10.25401 14.27913 1.000 17.42627 ? 8   PHE D O   1 
ATOM   1172 C CB  . PHE D 1 8  ? -2.64579  -9.13870  13.39723 1.000 18.53096 ? 8   PHE D CB  1 
ATOM   1173 C CG  . PHE D 1 8  ? -2.59955  -10.43230 12.60385 1.000 14.44411 ? 8   PHE D CG  1 
ATOM   1174 C CD1 . PHE D 1 8  ? -2.35825  -10.42749 11.23004 1.000 16.14121 ? 8   PHE D CD1 1 
ATOM   1175 C CD2 . PHE D 1 8  ? -2.83465  -11.65494 13.23001 1.000 14.42627 ? 8   PHE D CD2 1 
ATOM   1176 C CE1 . PHE D 1 8  ? -2.33431  -11.61855 10.50759 1.000 20.22111 ? 8   PHE D CE1 1 
ATOM   1177 C CE2 . PHE D 1 8  ? -2.81097  -12.85288 12.51840 1.000 16.77518 ? 8   PHE D CE2 1 
ATOM   1178 C CZ  . PHE D 1 8  ? -2.55577  -12.83185 11.14483 1.000 14.63780 ? 8   PHE D CZ  1 
ATOM   1179 N N   . PHE D 1 9  ? -0.88888  -9.38846  15.97402 1.000 14.57760 ? 9   PHE D N   1 
ATOM   1180 C CA  . PHE D 1 9  ? -0.23053  -10.19401 16.99365 1.000 15.01571 ? 9   PHE D CA  1 
ATOM   1181 C C   . PHE D 1 9  ? -1.03939  -11.42633 17.38622 1.000 15.38154 ? 9   PHE D C   1 
ATOM   1182 O O   . PHE D 1 9  ? -2.27366  -11.39162 17.43932 1.000 18.89158 ? 9   PHE D O   1 
ATOM   1183 C CB  . PHE D 1 9  ? 0.03849   -9.36501  18.25503 1.000 18.10577 ? 9   PHE D CB  1 
ATOM   1184 C CG  . PHE D 1 9  ? 1.30538   -8.58483  18.18047 1.000 16.39852 ? 9   PHE D CG  1 
ATOM   1185 C CD1 . PHE D 1 9  ? 2.53162   -9.19867  18.40163 1.000 14.63826 ? 9   PHE D CD1 1 
ATOM   1186 C CD2 . PHE D 1 9  ? 1.27759   -7.24245  17.84826 1.000 17.59861 ? 9   PHE D CD2 1 
ATOM   1187 C CE1 . PHE D 1 9  ? 3.70354   -8.47344  18.30765 1.000 16.86712 ? 9   PHE D CE1 1 
ATOM   1188 C CE2 . PHE D 1 9  ? 2.45196   -6.51537  17.75984 1.000 17.30757 ? 9   PHE D CE2 1 
ATOM   1189 C CZ  . PHE D 1 9  ? 3.65598   -7.12803  17.98310 1.000 17.59219 ? 9   PHE D CZ  1 
ATOM   1190 N N   . SER D 1 10 ? -0.32295  -12.51945 17.67576 1.000 16.90469 ? 10  SER D N   1 
ATOM   1191 C CA  . SER D 1 10 ? -0.89044  -13.64797 18.38896 1.000 19.44458 ? 10  SER D CA  1 
ATOM   1192 C C   . SER D 1 10 ? -0.82471  -13.36721 19.88790 1.000 18.23168 ? 10  SER D C   1 
ATOM   1193 O O   . SER D 1 10 ? -0.05353  -12.51136 20.33157 1.000 18.34430 ? 10  SER D O   1 
ATOM   1194 C CB  . SER D 1 10 ? -0.12376  -14.92708 18.07024 1.000 21.41345 ? 10  SER D CB  1 
ATOM   1195 O OG  . SER D 1 10 ? 1.14578   -14.90834 18.69859 1.000 27.75167 ? 10  SER D OG  1 
ATOM   1196 N N   . PRO D 1 11 ? -1.62281  -14.07259 20.69137 1.000 16.09416 ? 11  PRO D N   1 
ATOM   1197 C CA  . PRO D 1 11 ? -1.64244  -13.77210 22.13596 1.000 20.54543 ? 11  PRO D CA  1 
ATOM   1198 C C   . PRO D 1 11 ? -0.34413  -14.09697 22.84404 1.000 20.77194 ? 11  PRO D C   1 
ATOM   1199 O O   . PRO D 1 11 ? -0.13102  -13.59950 23.96137 1.000 20.67850 ? 11  PRO D O   1 
ATOM   1200 C CB  . PRO D 1 11 ? -2.79559  -14.63078 22.67698 1.000 26.49477 ? 11  PRO D CB  1 
ATOM   1201 C CG  . PRO D 1 11 ? -3.24649  -15.50625 21.55223 1.000 21.54166 ? 11  PRO D CG  1 
ATOM   1202 C CD  . PRO D 1 11 ? -2.74744  -14.92607 20.26762 1.000 18.35403 ? 11  PRO D CD  1 
ATOM   1203 N N   . ASP D 1 12 ? 0.52891   -14.91056 22.25042 1.000 21.56097 ? 12  ASP D N   1 
ATOM   1204 C CA  . ASP D 1 12 ? 1.83101   -15.15270 22.85522 1.000 23.35881 ? 12  ASP D CA  1 
ATOM   1205 C C   . ASP D 1 12 ? 2.86149   -14.09899 22.47048 1.000 22.45609 ? 12  ASP D C   1 
ATOM   1206 O O   . ASP D 1 12 ? 4.02463   -14.21083 22.88431 1.000 25.16846 ? 12  ASP D O   1 
ATOM   1207 C CB  . ASP D 1 12 ? 2.34138   -16.57151 22.51830 1.000 28.51786 ? 12  ASP D CB  1 
ATOM   1208 C CG  . ASP D 1 12 ? 2.83167   -16.73484 21.06823 1.000 39.02758 ? 12  ASP D CG  1 
ATOM   1209 O OD1 . ASP D 1 12 ? 2.82560   -15.78361 20.25188 1.000 28.27520 ? 12  ASP D OD1 1 
ATOM   1210 O OD2 . ASP D 1 12 ? 3.26513   -17.86395 20.75211 1.000 44.31743 ? 12  ASP D OD2 1 
ATOM   1211 N N   . GLY D 1 13 ? 2.45669   -13.07452 21.71557 1.000 19.35161 ? 13  GLY D N   1 
ATOM   1212 C CA  . GLY D 1 13 ? 3.31651   -11.94821 21.40755 1.000 17.45810 ? 13  GLY D CA  1 
ATOM   1213 C C   . GLY D 1 13 ? 4.08504   -12.05242 20.11178 1.000 18.86019 ? 13  GLY D C   1 
ATOM   1214 O O   . GLY D 1 13 ? 4.94938   -11.20612 19.85436 1.000 18.74577 ? 13  GLY D O   1 
ATOM   1215 N N   . THR D 1 14 ? 3.80412   -13.06384 19.29984 1.000 17.83920 ? 14  THR D N   1 
ATOM   1216 C CA  . THR D 1 14 ? 4.45784   -13.23313 18.00843 1.000 18.76195 ? 14  THR D CA  1 
ATOM   1217 C C   . THR D 1 14 ? 3.76171   -12.35206 16.97946 1.000 19.02903 ? 14  THR D C   1 
ATOM   1218 O O   . THR D 1 14 ? 2.53149   -12.28335 16.94061 1.000 17.12491 ? 14  THR D O   1 
ATOM   1219 C CB  . THR D 1 14 ? 4.39620   -14.70230 17.58256 1.000 24.88641 ? 14  THR D CB  1 
ATOM   1220 O OG1 . THR D 1 14 ? 5.00576   -15.52228 18.59112 1.000 24.02351 ? 14  THR D OG1 1 
ATOM   1221 C CG2 . THR D 1 14 ? 5.14350   -14.92477 16.28558 1.000 21.68953 ? 14  THR D CG2 1 
ATOM   1222 N N   . LEU D 1 15 ? 4.55009   -11.65404 16.16423 1.000 15.22855 ? 15  LEU D N   1 
ATOM   1223 C CA  . LEU D 1 15 ? 4.00131   -10.82571 15.09697 1.000 17.53890 ? 15  LEU D CA  1 
ATOM   1224 C C   . LEU D 1 15 ? 3.75660   -11.68967 13.86665 1.000 20.44536 ? 15  LEU D C   1 
ATOM   1225 O O   . LEU D 1 15 ? 4.63745   -12.44992 13.45419 1.000 17.28345 ? 15  LEU D O   1 
ATOM   1226 C CB  . LEU D 1 15 ? 4.94969   -9.67444  14.75966 1.000 18.46858 ? 15  LEU D CB  1 
ATOM   1227 C CG  . LEU D 1 15 ? 4.50059   -8.70534  13.67332 1.000 16.68139 ? 15  LEU D CG  1 
ATOM   1228 C CD1 . LEU D 1 15 ? 3.20601   -8.01203  14.09429 1.000 16.09876 ? 15  LEU D CD1 1 
ATOM   1229 C CD2 . LEU D 1 15 ? 5.61585   -7.69281  13.43850 1.000 17.55442 ? 15  LEU D CD2 1 
ATOM   1230 N N   . TYR D 1 16 ? 2.55871   -11.57577 13.29215 1.000 15.65553 ? 16  TYR D N   1 
ATOM   1231 C CA  . TYR D 1 16 ? 2.19349   -12.25066 12.05762 1.000 17.77960 ? 16  TYR D CA  1 
ATOM   1232 C C   . TYR D 1 16 ? 1.94477   -11.20937 10.97833 1.000 15.88062 ? 16  TYR D C   1 
ATOM   1233 O O   . TYR D 1 16 ? 1.44482   -10.11636 11.25193 1.000 17.04014 ? 16  TYR D O   1 
ATOM   1234 C CB  . TYR D 1 16 ? 0.92445   -13.10472 12.21401 1.000 15.58191 ? 16  TYR D CB  1 
ATOM   1235 C CG  . TYR D 1 16 ? 1.11242   -14.42587 12.91704 1.000 16.85196 ? 16  TYR D CG  1 
ATOM   1236 C CD1 . TYR D 1 16 ? 1.45764   -14.47869 14.27027 1.000 17.17598 ? 16  TYR D CD1 1 
ATOM   1237 C CD2 . TYR D 1 16 ? 0.92068   -15.62395 12.23802 1.000 21.08804 ? 16  TYR D CD2 1 
ATOM   1238 C CE1 . TYR D 1 16 ? 1.62663   -15.69958 14.91864 1.000 22.92045 ? 16  TYR D CE1 1 
ATOM   1239 C CE2 . TYR D 1 16 ? 1.08574   -16.84878 12.88435 1.000 19.62607 ? 16  TYR D CE2 1 
ATOM   1240 C CZ  . TYR D 1 16 ? 1.43478   -16.87588 14.21666 1.000 22.23228 ? 16  TYR D CZ  1 
ATOM   1241 O OH  . TYR D 1 16 ? 1.59236   -18.09081 14.83861 1.000 22.37853 ? 16  TYR D OH  1 
ATOM   1242 N N   . GLY D 1 17 ? 2.28093   -11.54439 9.74515  1.000 17.56007 ? 17  GLY D N   1 
ATOM   1243 C CA  . GLY D 1 17 ? 1.97649   -10.61152 8.68347  1.000 16.63476 ? 17  GLY D CA  1 
ATOM   1244 C C   . GLY D 1 17 ? 1.79354   -11.33231 7.37274  1.000 15.51524 ? 17  GLY D C   1 
ATOM   1245 O O   . GLY D 1 17 ? 2.39580   -12.38449 7.15262  1.000 15.92178 ? 17  GLY D O   1 
ATOM   1246 N N   . VAL D 1 18 ? 0.92851   -10.79912 6.51435  1.000 14.84675 ? 18  VAL D N   1 
ATOM   1247 C CA  . VAL D 1 18 ? 0.73127   -11.32784 5.16927  1.000 16.09736 ? 18  VAL D CA  1 
ATOM   1248 C C   . VAL D 1 18 ? 1.33133   -10.32676 4.20228  1.000 18.00188 ? 18  VAL D C   1 
ATOM   1249 O O   . VAL D 1 18 ? 1.00602   -9.13340  4.25267  1.000 18.68358 ? 18  VAL D O   1 
ATOM   1250 C CB  . VAL D 1 18 ? -0.75222  -11.58819 4.85840  1.000 19.16866 ? 18  VAL D CB  1 
ATOM   1251 C CG1 . VAL D 1 18 ? -0.93099  -11.90250 3.35365  1.000 19.10140 ? 18  VAL D CG1 1 
ATOM   1252 C CG2 . VAL D 1 18 ? -1.26437  -12.74325 5.68713  1.000 20.55456 ? 18  VAL D CG2 1 
ATOM   1253 N N   . HIS D 1 19 ? 2.22444   -10.80910 3.33933  1.000 15.40246 ? 19  HIS D N   1 
ATOM   1254 C CA  . HIS D 1 19 ? 2.94673   -9.95214  2.41535  1.000 15.66544 ? 19  HIS D CA  1 
ATOM   1255 C C   . HIS D 1 19 ? 3.09086   -10.70047 1.09938  1.000 22.04444 ? 19  HIS D C   1 
ATOM   1256 O O   . HIS D 1 19 ? 3.66982   -11.78896 1.06998  1.000 18.95650 ? 19  HIS D O   1 
ATOM   1257 C CB  . HIS D 1 19 ? 4.31061   -9.57876  2.99635  1.000 18.56749 ? 19  HIS D CB  1 
ATOM   1258 C CG  . HIS D 1 19 ? 5.11183   -8.66783  2.12547  1.000 22.59553 ? 19  HIS D CG  1 
ATOM   1259 N ND1 . HIS D 1 19 ? 6.07466   -9.12720  1.25158  1.000 23.29052 ? 19  HIS D ND1 1 
ATOM   1260 C CD2 . HIS D 1 19 ? 5.09050   -7.32135  1.99092  1.000 30.65987 ? 19  HIS D CD2 1 
ATOM   1261 C CE1 . HIS D 1 19 ? 6.61831   -8.09998  0.62330  1.000 26.80235 ? 19  HIS D CE1 1 
ATOM   1262 N NE2 . HIS D 1 19 ? 6.03755   -6.99396  1.05210  1.000 26.87694 ? 19  HIS D NE2 1 
ATOM   1263 N N   . ASN D 1 20 ? 2.54983   -10.13396 0.02374  1.000 18.95774 ? 20  ASN D N   1 
ATOM   1264 C CA  . ASN D 1 20 ? 2.65030   -10.75432 -1.30350 1.000 21.20939 ? 20  ASN D CA  1 
ATOM   1265 C C   . ASN D 1 20 ? 2.11355   -12.18672 -1.28654 1.000 24.63830 ? 20  ASN D C   1 
ATOM   1266 O O   . ASN D 1 20 ? 2.76098   -13.12837 -1.75735 1.000 22.31318 ? 20  ASN D O   1 
ATOM   1267 C CB  . ASN D 1 20 ? 4.09087   -10.71872 -1.81277 1.000 24.36719 ? 20  ASN D CB  1 
ATOM   1268 C CG  . ASN D 1 20 ? 4.56775   -9.31518  -2.12921 1.000 25.09872 ? 20  ASN D CG  1 
ATOM   1269 O OD1 . ASN D 1 20 ? 3.78421   -8.35705  -2.12052 1.000 28.50011 ? 20  ASN D OD1 1 
ATOM   1270 N ND2 . ASN D 1 20 ? 5.85958   -9.18556  -2.42063 1.000 24.40423 ? 20  ASN D ND2 1 
ATOM   1271 N N   . ASP D 1 21 ? 0.92957   -12.34985 -0.70005 1.000 22.56723 ? 21  ASP D N   1 
ATOM   1272 C CA  . ASP D 1 21 ? 0.18965   -13.60906 -0.64287 1.000 25.10923 ? 21  ASP D CA  1 
ATOM   1273 C C   . ASP D 1 21 ? 0.83874   -14.65039 0.25210  1.000 25.98858 ? 21  ASP D C   1 
ATOM   1274 O O   . ASP D 1 21 ? 0.40676   -15.81033 0.24249  1.000 23.98032 ? 21  ASP D O   1 
ATOM   1275 C CB  . ASP D 1 21 ? -0.01843  -14.20809 -2.03919 1.000 28.27686 ? 21  ASP D CB  1 
ATOM   1276 C CG  . ASP D 1 21 ? -0.52285  -13.18522 -3.02724 1.000 40.11634 ? 21  ASP D CG  1 
ATOM   1277 O OD1 . ASP D 1 21 ? -1.68884  -12.76122 -2.88441 1.000 41.03654 ? 21  ASP D OD1 1 
ATOM   1278 O OD2 . ASP D 1 21 ? 0.24257   -12.80282 -3.93900 1.000 61.73733 ? 21  ASP D OD2 1 
ATOM   1279 N N   . LYS D 1 22 ? 1.85533   -14.27911 1.03135  1.000 19.65385 ? 22  LYS D N   1 
ATOM   1280 C CA  . LYS D 1 22 ? 2.54449   -15.21287 1.90071  1.000 15.83681 ? 22  LYS D CA  1 
ATOM   1281 C C   . LYS D 1 22 ? 2.36580   -14.79935 3.35791  1.000 19.19056 ? 22  LYS D C   1 
ATOM   1282 O O   . LYS D 1 22 ? 2.26798   -13.61300 3.67339  1.000 21.46825 ? 22  LYS D O   1 
ATOM   1283 C CB  . LYS D 1 22 ? 4.03136   -15.28081 1.56420  1.000 19.39419 ? 22  LYS D CB  1 
ATOM   1284 C CG  . LYS D 1 22 ? 4.29264   -15.79153 0.14540  1.000 21.99086 ? 22  LYS D CG  1 
ATOM   1285 C CD  . LYS D 1 22 ? 5.73567   -15.58312 -0.27132 1.000 28.36213 ? 22  LYS D CD  1 
ATOM   1286 C CE  . LYS D 1 22 ? 5.98478   -14.15177 -0.73972 1.000 28.04569 ? 22  LYS D CE  1 
ATOM   1287 N NZ  . LYS D 1 22 ? 5.55569   -13.91445 -2.15783 1.000 25.60796 ? 22  LYS D NZ  1 
ATOM   1288 N N   . LEU D 1 23 ? 2.34894   -15.79255 4.23570  1.000 17.51330 ? 23  LEU D N   1 
ATOM   1289 C CA  . LEU D 1 23 ? 2.17950   -15.59153 5.67337  1.000 15.88222 ? 23  LEU D CA  1 
ATOM   1290 C C   . LEU D 1 23 ? 3.51420   -15.78214 6.39245  1.000 20.49518 ? 23  LEU D C   1 
ATOM   1291 O O   . LEU D 1 23 ? 4.19082   -16.79381 6.18591  1.000 19.38642 ? 23  LEU D O   1 
ATOM   1292 C CB  . LEU D 1 23 ? 1.13801   -16.56622 6.21495  1.000 15.97649 ? 23  LEU D CB  1 
ATOM   1293 C CG  . LEU D 1 23 ? 0.82551   -16.44316 7.71209  1.000 17.13107 ? 23  LEU D CG  1 
ATOM   1294 C CD1 . LEU D 1 23 ? 0.24896   -15.07188 7.99232  1.000 18.31454 ? 23  LEU D CD1 1 
ATOM   1295 C CD2 . LEU D 1 23 ? -0.13202  -17.54546 8.12659  1.000 17.22039 ? 23  LEU D CD2 1 
ATOM   1296 N N   . TYR D 1 24 ? 3.87919   -14.81766 7.25504  1.000 18.11312 ? 24  TYR D N   1 
ATOM   1297 C CA  . TYR D 1 24 ? 5.14674   -14.79814 7.98395  1.000 14.95906 ? 24  TYR D CA  1 
ATOM   1298 C C   . TYR D 1 24 ? 4.88634   -14.61518 9.47135  1.000 16.26149 ? 24  TYR D C   1 
ATOM   1299 O O   . TYR D 1 24 ? 3.90286   -13.98610 9.85341  1.000 17.74833 ? 24  TYR D O   1 
ATOM   1300 C CB  . TYR D 1 24 ? 6.02721   -13.63966 7.54839  1.000 16.18777 ? 24  TYR D CB  1 
ATOM   1301 C CG  . TYR D 1 24 ? 6.48366   -13.68633 6.12106  1.000 16.80419 ? 24  TYR D CG  1 
ATOM   1302 C CD1 . TYR D 1 24 ? 5.69635   -13.16396 5.10533  1.000 17.64257 ? 24  TYR D CD1 1 
ATOM   1303 C CD2 . TYR D 1 24 ? 7.73388   -14.21146 5.79213  1.000 20.38202 ? 24  TYR D CD2 1 
ATOM   1304 C CE1 . TYR D 1 24 ? 6.12687   -13.18902 3.78289  1.000 20.29816 ? 24  TYR D CE1 1 
ATOM   1305 C CE2 . TYR D 1 24 ? 8.16919   -14.24289 4.48053  1.000 25.11454 ? 24  TYR D CE2 1 
ATOM   1306 C CZ  . TYR D 1 24 ? 7.36992   -13.72805 3.48626  1.000 22.65816 ? 24  TYR D CZ  1 
ATOM   1307 O OH  . TYR D 1 24 ? 7.82767   -13.75356 2.18841  1.000 22.42827 ? 24  TYR D OH  1 
ATOM   1308 N N   . LYS D 1 25 ? 5.80157   -15.11661 10.30906 1.000 18.40277 ? 25  LYS D N   1 
ATOM   1309 C CA  . LYS D 1 25 ? 5.70967   -14.85424 11.74117 1.000 15.76208 ? 25  LYS D CA  1 
ATOM   1310 C C   . LYS D 1 25 ? 7.10521   -14.68742 12.33427 1.000 15.26626 ? 25  LYS D C   1 
ATOM   1311 O O   . LYS D 1 25 ? 8.09385   -15.20366 11.80892 1.000 18.01545 ? 25  LYS D O   1 
ATOM   1312 C CB  . LYS D 1 25 ? 4.92999   -15.96962 12.45054 1.000 19.38494 ? 25  LYS D CB  1 
ATOM   1313 C CG  . LYS D 1 25 ? 5.63413   -17.32409 12.48185 1.000 22.36201 ? 25  LYS D CG  1 
ATOM   1314 C CD  . LYS D 1 25 ? 5.23808   -18.15256 13.69183 1.000 26.27851 ? 25  LYS D CD  1 
ATOM   1315 C CE  . LYS D 1 25 ? 6.11587   -19.39092 13.83908 1.000 35.43129 ? 25  LYS D CE  1 
ATOM   1316 N NZ  . LYS D 1 25 ? 5.33716   -20.52280 14.42719 1.000 43.27189 ? 25  LYS D NZ  1 
ATOM   1317 N N   . GLY D 1 26 ? 7.18331   -13.93290 13.41817 1.000 16.69443 ? 26  GLY D N   1 
ATOM   1318 C CA  . GLY D 1 26 ? 8.46459   -13.75190 14.07748 1.000 19.66444 ? 26  GLY D CA  1 
ATOM   1319 C C   . GLY D 1 26 ? 8.30400   -12.79456 15.22989 1.000 21.40618 ? 26  GLY D C   1 
ATOM   1320 O O   . GLY D 1 26 ? 7.26045   -12.17015 15.40317 1.000 19.00031 ? 26  GLY D O   1 
ATOM   1321 N N   . THR D 1 27 ? 9.36136   -12.68787 16.03518 1.000 17.84136 ? 27  THR D N   1 
ATOM   1322 C CA  . THR D 1 27 ? 9.34964   -11.64360 17.04066 1.000 18.47343 ? 27  THR D CA  1 
ATOM   1323 C C   . THR D 1 27 ? 9.27641   -10.29443 16.33428 1.000 16.41048 ? 27  THR D C   1 
ATOM   1324 O O   . THR D 1 27 ? 9.79903   -10.13906 15.22467 1.000 18.69883 ? 27  THR D O   1 
ATOM   1325 C CB  . THR D 1 27 ? 10.59946  -11.70109 17.92229 1.000 20.96616 ? 27  THR D CB  1 
ATOM   1326 O OG1 . THR D 1 27 ? 11.76565  -11.58140 17.09812 1.000 20.28644 ? 27  THR D OG1 1 
ATOM   1327 C CG2 . THR D 1 27 ? 10.65048  -13.01136 18.68265 1.000 23.49878 ? 27  THR D CG2 1 
ATOM   1328 N N   . PRO D 1 28 ? 8.62063   -9.30367  16.93413 1.000 18.82678 ? 28  PRO D N   1 
ATOM   1329 C CA  . PRO D 1 28 ? 8.46514   -8.02775  16.24715 1.000 20.45298 ? 28  PRO D CA  1 
ATOM   1330 C C   . PRO D 1 28 ? 9.80852   -7.35272  16.06096 1.000 22.23889 ? 28  PRO D C   1 
ATOM   1331 O O   . PRO D 1 28 ? 10.76863  -7.61714  16.81200 1.000 23.79137 ? 28  PRO D O   1 
ATOM   1332 C CB  . PRO D 1 28 ? 7.54993   -7.22813  17.18597 1.000 19.37373 ? 28  PRO D CB  1 
ATOM   1333 C CG  . PRO D 1 28 ? 7.65786   -7.90215  18.50827 1.000 22.48411 ? 28  PRO D CG  1 
ATOM   1334 C CD  . PRO D 1 28 ? 7.87092   -9.34899  18.20733 1.000 19.30121 ? 28  PRO D CD  1 
ATOM   1335 N N   . PRO D 1 29 ? 9.93098   -6.48503  15.05606 1.000 20.74356 ? 29  PRO D N   1 
ATOM   1336 C CA  . PRO D 1 29 ? 11.20953  -5.81017  14.81484 1.000 20.85010 ? 29  PRO D CA  1 
ATOM   1337 C C   . PRO D 1 29 ? 11.55869  -4.86864  15.94791 1.000 29.49200 ? 29  PRO D C   1 
ATOM   1338 O O   . PRO D 1 29 ? 10.68836  -4.32665  16.63788 1.000 25.88314 ? 29  PRO D O   1 
ATOM   1339 C CB  . PRO D 1 29 ? 10.98066  -5.04258  13.50606 1.000 24.52012 ? 29  PRO D CB  1 
ATOM   1340 C CG  . PRO D 1 29 ? 9.51811   -4.93104  13.37048 1.000 24.66457 ? 29  PRO D CG  1 
ATOM   1341 C CD  . PRO D 1 29 ? 8.91055   -6.11975  14.06086 1.000 20.69386 ? 29  PRO D CD  1 
ATOM   1342 N N   . THR D 1 30 ? 12.86319  -4.68030  16.12515 1.000 35.67133 ? 30  THR D N   1 
ATOM   1343 C CA  . THR D 1 30 ? 13.40321  -3.96386  17.27093 1.000 33.40596 ? 30  THR D CA  1 
ATOM   1344 C C   . THR D 1 30 ? 13.90748  -2.57404  16.92412 1.000 36.50208 ? 30  THR D C   1 
ATOM   1345 O O   . THR D 1 30 ? 14.03340  -1.73761  17.82594 1.000 37.92845 ? 30  THR D O   1 
ATOM   1346 C CB  . THR D 1 30 ? 14.54299  -4.77084  17.90314 1.000 38.93601 ? 30  THR D CB  1 
ATOM   1347 O OG1 . THR D 1 30 ? 15.50653  -5.11072  16.89315 1.000 44.89281 ? 30  THR D OG1 1 
ATOM   1348 C CG2 . THR D 1 30 ? 13.99757  -6.04581  18.54699 1.000 36.90455 ? 30  THR D CG2 1 
ATOM   1349 N N   . SER D 1 31 ? 14.18467  -2.30771  15.65171 1.000 30.87011 ? 31  SER D N   1 
ATOM   1350 C CA  . SER D 1 31 ? 14.69051  -1.00823  15.24256 1.000 35.80737 ? 31  SER D CA  1 
ATOM   1351 C C   . SER D 1 31 ? 14.48383  -0.86736  13.74716 1.000 30.42900 ? 31  SER D C   1 
ATOM   1352 O O   . SER D 1 31 ? 14.15106  -1.82933  13.04982 1.000 35.74813 ? 31  SER D O   1 
ATOM   1353 C CB  . SER D 1 31 ? 16.17464  -0.84566  15.57276 1.000 37.12575 ? 31  SER D CB  1 
ATOM   1354 O OG  . SER D 1 31 ? 16.94902  -1.63572  14.68738 1.000 35.18698 ? 31  SER D OG  1 
ATOM   1355 N N   . ASP D 1 32 ? 14.73361  0.34631   13.25628 1.000 35.58566 ? 32  ASP D N   1 
ATOM   1356 C CA  . ASP D 1 32 ? 14.63663  0.64139   11.83471 1.000 33.49553 ? 32  ASP D CA  1 
ATOM   1357 C C   . ASP D 1 32 ? 15.68280  -0.08743  10.99694 1.000 37.22889 ? 32  ASP D C   1 
ATOM   1358 O O   . ASP D 1 32 ? 15.60196  -0.05244  9.76701  1.000 40.94018 ? 32  ASP D O   1 
ATOM   1359 C CB  . ASP D 1 32 ? 14.68460  2.16853   11.63406 1.000 45.03929 ? 32  ASP D CB  1 
ATOM   1360 C CG  . ASP D 1 32 ? 16.10525  2.75854   11.66288 1.000 48.05851 ? 32  ASP D CG  1 
ATOM   1361 O OD1 . ASP D 1 32 ? 17.11600  2.02661   11.71239 1.000 59.81552 ? 32  ASP D OD1 1 
ATOM   1362 O OD2 . ASP D 1 32 ? 16.20864  4.00228   11.63117 1.000 62.74322 ? 32  ASP D OD2 1 
ATOM   1363 N N   . LYS D 1 33 ? 16.65748  -0.73784  11.62794 1.000 40.58104 ? 33  LYS D N   1 
ATOM   1364 C CA  . LYS D 1 33 ? 17.67755  -1.49551  10.91803 1.000 41.22707 ? 33  LYS D CA  1 
ATOM   1365 C C   . LYS D 1 33 ? 17.32584  -2.98393  10.85142 1.000 41.49437 ? 33  LYS D C   1 
ATOM   1366 O O   . LYS D 1 33 ? 17.91781  -3.72071  10.06035 1.000 42.17548 ? 33  LYS D O   1 
ATOM   1367 C CB  . LYS D 1 33 ? 19.03904  -1.25958  11.61131 1.000 42.93198 ? 33  LYS D CB  1 
ATOM   1368 C CG  . LYS D 1 33 ? 20.33709  -1.42996  10.79979 0.000 45.22132 ? 33  LYS D CG  1 
ATOM   1369 C CD  . LYS D 1 33 ? 20.59007  -2.83991  10.34724 0.000 44.80666 ? 33  LYS D CD  1 
ATOM   1370 C CE  . LYS D 1 33 ? 20.74007  -3.77789  11.52521 0.000 44.18340 ? 33  LYS D CE  1 
ATOM   1371 N NZ  . LYS D 1 33 ? 20.81671  -5.19806  11.09098 0.000 43.29719 ? 33  LYS D NZ  1 
ATOM   1372 N N   . ASP D 1 34 ? 16.32780  -3.42388  11.61007 1.000 29.88460 ? 34  ASP D N   1 
ATOM   1373 C CA  . ASP D 1 34 ? 15.96916  -4.83644  11.70996 1.000 25.68015 ? 34  ASP D CA  1 
ATOM   1374 C C   . ASP D 1 34 ? 15.18641  -5.24807  10.45857 1.000 29.25432 ? 34  ASP D C   1 
ATOM   1375 O O   . ASP D 1 34 ? 14.02851  -4.85712  10.29128 1.000 27.04063 ? 34  ASP D O   1 
ATOM   1376 C CB  . ASP D 1 34 ? 15.16002  -5.02606  12.99400 1.000 31.75705 ? 34  ASP D CB  1 
ATOM   1377 C CG  . ASP D 1 34 ? 14.83640  -6.47326  13.30861 1.000 28.85551 ? 34  ASP D CG  1 
ATOM   1378 O OD1 . ASP D 1 34 ? 15.19797  -7.38571  12.53633 1.000 24.86373 ? 34  ASP D OD1 1 
ATOM   1379 O OD2 . ASP D 1 34 ? 14.20820  -6.68634  14.37020 1.000 26.27977 ? 34  ASP D OD2 1 
ATOM   1380 N N   . ASN D 1 35 ? 15.81075  -6.01841  9.56101  1.000 23.60964 ? 35  ASN D N   1 
ATOM   1381 C CA  . ASN D 1 35 ? 15.13215  -6.48245  8.34423  1.000 21.54195 ? 35  ASN D CA  1 
ATOM   1382 C C   . ASN D 1 35 ? 14.21651  -7.65171  8.70816  1.000 23.07882 ? 35  ASN D C   1 
ATOM   1383 O O   . ASN D 1 35 ? 14.64338  -8.80721  8.75619  1.000 21.83030 ? 35  ASN D O   1 
ATOM   1384 C CB  . ASN D 1 35 ? 16.14937  -6.86887  7.27061  1.000 22.63370 ? 35  ASN D CB  1 
ATOM   1385 C CG  . ASN D 1 35 ? 15.49336  -7.25789  5.94336  1.000 26.78397 ? 35  ASN D CG  1 
ATOM   1386 O OD1 . ASN D 1 35 ? 14.29829  -7.56898  5.87838  1.000 25.92353 ? 35  ASN D OD1 1 
ATOM   1387 N ND2 . ASN D 1 35 ? 16.28227  -7.23906  4.87693  1.000 27.40586 ? 35  ASN D ND2 1 
ATOM   1388 N N   . TRP D 1 36 ? 12.94045  -7.35368  8.96470  1.000 21.90475 ? 36  TRP D N   1 
ATOM   1389 C CA  . TRP D 1 36 ? 12.04333  -8.35765  9.53712  1.000 19.76640 ? 36  TRP D CA  1 
ATOM   1390 C C   . TRP D 1 36 ? 11.72802  -9.47567  8.54367  1.000 23.59927 ? 36  TRP D C   1 
ATOM   1391 O O   . TRP D 1 36 ? 11.75376  -10.65715 8.90646  1.000 20.72166 ? 36  TRP D O   1 
ATOM   1392 C CB  . TRP D 1 36 ? 10.75283  -7.69306  10.01772 1.000 18.62402 ? 36  TRP D CB  1 
ATOM   1393 C CG  . TRP D 1 36 ? 9.89177   -8.60009  10.86324 1.000 19.63022 ? 36  TRP D CG  1 
ATOM   1394 C CD1 . TRP D 1 36 ? 10.05538  -8.88989  12.18850 1.000 20.29107 ? 36  TRP D CD1 1 
ATOM   1395 C CD2 . TRP D 1 36 ? 8.73000   -9.31719  10.43398 1.000 15.88067 ? 36  TRP D CD2 1 
ATOM   1396 N NE1 . TRP D 1 36 ? 9.06503   -9.74965  12.61155 1.000 16.95225 ? 36  TRP D NE1 1 
ATOM   1397 C CE2 . TRP D 1 36 ? 8.23752   -10.02504 11.55027 1.000 16.84471 ? 36  TRP D CE2 1 
ATOM   1398 C CE3 . TRP D 1 36 ? 8.04911   -9.42087  9.21316  1.000 20.75050 ? 36  TRP D CE3 1 
ATOM   1399 C CZ2 . TRP D 1 36 ? 7.10811   -10.83555 11.47861 1.000 18.01900 ? 36  TRP D CZ2 1 
ATOM   1400 C CZ3 . TRP D 1 36 ? 6.92726   -10.22604 9.14088  1.000 21.38998 ? 36  TRP D CZ3 1 
ATOM   1401 C CH2 . TRP D 1 36 ? 6.46231   -10.92019 10.26250 1.000 17.24792 ? 36  TRP D CH2 1 
ATOM   1402 N N   . LEU D 1 37 ? 11.41367  -9.12970  7.29034  1.000 20.68273 ? 37  LEU D N   1 
ATOM   1403 C CA  . LEU D 1 37 ? 11.04874  -10.16951 6.32684  1.000 19.79360 ? 37  LEU D CA  1 
ATOM   1404 C C   . LEU D 1 37 ? 12.20454  -11.13368 6.06676  1.000 19.67909 ? 37  LEU D C   1 
ATOM   1405 O O   . LEU D 1 37 ? 11.97314  -12.31776 5.79371  1.000 24.00713 ? 37  LEU D O   1 
ATOM   1406 C CB  . LEU D 1 37 ? 10.57906  -9.54087  5.01047  1.000 25.07306 ? 37  LEU D CB  1 
ATOM   1407 C CG  . LEU D 1 37 ? 9.11175   -9.11099  4.87983  1.000 23.37419 ? 37  LEU D CG  1 
ATOM   1408 C CD1 . LEU D 1 37 ? 8.91840   -8.40947  3.55922  1.000 27.13498 ? 37  LEU D CD1 1 
ATOM   1409 C CD2 . LEU D 1 37 ? 8.13173   -10.28470 4.99071  1.000 20.68317 ? 37  LEU D CD2 1 
ATOM   1410 N N   . ALA D 1 38 ? 13.44914  -10.65824 6.17396  1.000 20.60519 ? 38  ALA D N   1 
ATOM   1411 C CA  . ALA D 1 38 ? 14.60246  -11.53699 5.98504  1.000 27.24597 ? 38  ALA D CA  1 
ATOM   1412 C C   . ALA D 1 38 ? 14.71599  -12.59090 7.07833  1.000 28.60574 ? 38  ALA D C   1 
ATOM   1413 O O   . ALA D 1 38 ? 15.20226  -13.69836 6.82609  1.000 27.15804 ? 38  ALA D O   1 
ATOM   1414 C CB  . ALA D 1 38 ? 15.89182  -10.71685 5.93560  1.000 25.11257 ? 38  ALA D CB  1 
ATOM   1415 N N   . ARG D 1 39 ? 14.31082  -12.27221 8.30000  1.000 21.10125 ? 39  ARG D N   1 
ATOM   1416 C CA  . ARG D 1 39 ? 14.45742  -13.22021 9.39088  1.000 23.96375 ? 39  ARG D CA  1 
ATOM   1417 C C   . ARG D 1 39 ? 13.15099  -13.88688 9.80036  1.000 24.17793 ? 39  ARG D C   1 
ATOM   1418 O O   . ARG D 1 39 ? 13.18814  -14.87472 10.54096 1.000 21.59707 ? 39  ARG D O   1 
ATOM   1419 C CB  . ARG D 1 39 ? 15.09401  -12.53224 10.60435 1.000 26.26123 ? 39  ARG D CB  1 
ATOM   1420 C CG  . ARG D 1 39 ? 14.27384  -11.43480 11.26120 1.000 22.54544 ? 39  ARG D CG  1 
ATOM   1421 C CD  . ARG D 1 39 ? 14.97911  -10.98020 12.54149 1.000 25.13750 ? 39  ARG D CD  1 
ATOM   1422 N NE  . ARG D 1 39 ? 14.28722  -9.90556  13.24655 1.000 21.14746 ? 39  ARG D NE  1 
ATOM   1423 C CZ  . ARG D 1 39 ? 13.28949  -10.09651 14.09982 1.000 23.45944 ? 39  ARG D CZ  1 
ATOM   1424 N NH1 . ARG D 1 39 ? 12.82497  -11.30552 14.35808 1.000 19.71832 ? 39  ARG D NH1 1 
ATOM   1425 N NH2 . ARG D 1 39 ? 12.74620  -9.04601  14.70846 1.000 20.30377 ? 39  ARG D NH2 1 
ATOM   1426 N N   . ALA D 1 40 ? 12.00624  -13.39342 9.33519  1.000 21.01515 ? 40  ALA D N   1 
ATOM   1427 C CA  . ALA D 1 40 ? 10.73685  -13.97764 9.74655  1.000 21.05359 ? 40  ALA D CA  1 
ATOM   1428 C C   . ALA D 1 40 ? 10.56810  -15.37502 9.16346  1.000 21.46295 ? 40  ALA D C   1 
ATOM   1429 O O   . ALA D 1 40 ? 11.09618  -15.69819 8.09347  1.000 23.39410 ? 40  ALA D O   1 
ATOM   1430 C CB  . ALA D 1 40 ? 9.57120   -13.08083 9.31689  1.000 18.97265 ? 40  ALA D CB  1 
ATOM   1431 N N   . THR D 1 41 ? 9.83342   -16.21558 9.88617  1.000 20.77090 ? 41  THR D N   1 
ATOM   1432 C CA  . THR D 1 41 ? 9.55723   -17.56626 9.41827  1.000 19.19014 ? 41  THR D CA  1 
ATOM   1433 C C   . THR D 1 41 ? 8.42236   -17.56132 8.40282  1.000 23.00554 ? 41  THR D C   1 
ATOM   1434 O O   . THR D 1 41 ? 7.32048   -17.08216 8.69033  1.000 21.25304 ? 41  THR D O   1 
ATOM   1435 C CB  . THR D 1 41 ? 9.19129   -18.48226 10.58150 1.000 24.19071 ? 41  THR D CB  1 
ATOM   1436 O OG1 . THR D 1 41 ? 10.19846  -18.38416 11.59720 1.000 22.14780 ? 41  THR D OG1 1 
ATOM   1437 C CG2 . THR D 1 41 ? 9.07593   -19.92152 10.09804 1.000 29.65561 ? 41  THR D CG2 1 
ATOM   1438 N N   . LEU D 1 42 ? 8.68588   -18.11947 7.22458  1.000 21.92324 ? 42  LEU D N   1 
ATOM   1439 C CA  . LEU D 1 42 ? 7.65183   -18.28657 6.20814  1.000 19.65102 ? 42  LEU D CA  1 
ATOM   1440 C C   . LEU D 1 42 ? 6.78648   -19.48182 6.59750  1.000 23.89774 ? 42  LEU D C   1 
ATOM   1441 O O   . LEU D 1 42 ? 7.26990   -20.61714 6.65405  1.000 27.22819 ? 42  LEU D O   1 
ATOM   1442 C CB  . LEU D 1 42 ? 8.29127   -18.47951 4.83449  1.000 18.66983 ? 42  LEU D CB  1 
ATOM   1443 C CG  . LEU D 1 42 ? 7.30188   -18.76689 3.70413  1.000 19.92714 ? 42  LEU D CG  1 
ATOM   1444 C CD1 . LEU D 1 42 ? 6.46357   -17.54085 3.45827  1.000 22.37487 ? 42  LEU D CD1 1 
ATOM   1445 C CD2 . LEU D 1 42 ? 8.04295   -19.15530 2.41828  1.000 23.04851 ? 42  LEU D CD2 1 
ATOM   1446 N N   . ILE D 1 43 ? 5.51561   -19.23526 6.90764  1.000 21.13487 ? 43  ILE D N   1 
ATOM   1447 C CA  . ILE D 1 43 ? 4.61796   -20.29367 7.34884  1.000 22.53524 ? 43  ILE D CA  1 
ATOM   1448 C C   . ILE D 1 43 ? 3.45877   -20.50254 6.39575  1.000 22.95874 ? 43  ILE D C   1 
ATOM   1449 O O   . ILE D 1 43 ? 2.63993   -21.39845 6.61411  1.000 26.72726 ? 43  ILE D O   1 
ATOM   1450 C CB  . ILE D 1 43 ? 4.10112   -20.03374 8.77705  1.000 21.97143 ? 43  ILE D CB  1 
ATOM   1451 C CG1 . ILE D 1 43 ? 3.41014   -18.67708 8.85953  1.000 20.48053 ? 43  ILE D CG1 1 
ATOM   1452 C CG2 . ILE D 1 43 ? 5.25137   -20.12735 9.77097  1.000 24.39305 ? 43  ILE D CG2 1 
ATOM   1453 C CD1 . ILE D 1 43 ? 2.76269   -18.42156 10.22666 1.000 21.91835 ? 43  ILE D CD1 1 
ATOM   1454 N N   . GLY D 1 44 ? 3.36715   -19.70813 5.34466  1.000 25.46176 ? 44  GLY D N   1 
ATOM   1455 C CA  . GLY D 1 44 ? 2.39353   -19.96820 4.31075  1.000 23.36355 ? 44  GLY D CA  1 
ATOM   1456 C C   . GLY D 1 44 ? 2.81604   -19.31139 3.02188  1.000 26.76423 ? 44  GLY D C   1 
ATOM   1457 O O   . GLY D 1 44 ? 3.25438   -18.15845 3.02756  1.000 26.02679 ? 44  GLY D O   1 
ATOM   1458 N N   . ASN D 1 45 ? 2.71750   -20.03352 1.90973  1.000 25.38460 ? 45  ASN D N   1 
ATOM   1459 C CA  . ASN D 1 45 ? 3.12536   -19.49651 0.61597  1.000 30.93884 ? 45  ASN D CA  1 
ATOM   1460 C C   . ASN D 1 45 ? 1.96223   -19.68507 -0.34572 1.000 37.97244 ? 45  ASN D C   1 
ATOM   1461 O O   . ASN D 1 45 ? 1.78568   -20.76378 -0.92190 1.000 35.36710 ? 45  ASN D O   1 
ATOM   1462 C CB  . ASN D 1 45 ? 4.39985   -20.15860 0.11224  1.000 32.00065 ? 45  ASN D CB  1 
ATOM   1463 C CG  . ASN D 1 45 ? 4.95939   -19.46961 -1.11146 1.000 40.18708 ? 45  ASN D CG  1 
ATOM   1464 O OD1 . ASN D 1 45 ? 4.29843   -18.61652 -1.71212 1.000 34.32163 ? 45  ASN D OD1 1 
ATOM   1465 N ND2 . ASN D 1 45 ? 6.19487   -19.80752 -1.47189 1.000 36.80726 ? 45  ASN D ND2 1 
ATOM   1466 N N   . GLY D 1 46 ? 1.16737   -18.63966 -0.48598 1.000 27.14749 ? 46  GLY D N   1 
ATOM   1467 C CA  . GLY D 1 46 ? 0.10309   -18.59084 -1.46303 1.000 31.75768 ? 46  GLY D CA  1 
ATOM   1468 C C   . GLY D 1 46 ? -1.24109  -18.70954 -0.77745 1.000 28.27860 ? 46  GLY D C   1 
ATOM   1469 O O   . GLY D 1 46 ? -1.40618  -19.46505 0.18798  1.000 29.98992 ? 46  GLY D O   1 
ATOM   1470 N N   . GLY D 1 47 ? -2.20933  -17.94374 -1.26968 1.000 29.16330 ? 47  GLY D N   1 
ATOM   1471 C CA  . GLY D 1 47 ? -3.57558  -18.07121 -0.81964 1.000 30.85887 ? 47  GLY D CA  1 
ATOM   1472 C C   . GLY D 1 47 ? -3.98700  -17.14402 0.30015  1.000 28.91746 ? 47  GLY D C   1 
ATOM   1473 O O   . GLY D 1 47 ? -5.15642  -17.16790 0.69634  1.000 31.62959 ? 47  GLY D O   1 
ATOM   1474 N N   . TRP D 1 48 ? -3.08518  -16.31045 0.80007  1.000 23.64467 ? 48  TRP D N   1 
ATOM   1475 C CA  . TRP D 1 48 ? -3.39041  -15.47222 1.95884  1.000 22.91881 ? 48  TRP D CA  1 
ATOM   1476 C C   . TRP D 1 48 ? -3.81682  -14.06978 1.54596  1.000 27.47387 ? 48  TRP D C   1 
ATOM   1477 O O   . TRP D 1 48 ? -4.77208  -13.50019 2.09026  1.000 22.14330 ? 48  TRP D O   1 
ATOM   1478 C CB  . TRP D 1 48 ? -2.16870  -15.42096 2.88308  1.000 24.12417 ? 48  TRP D CB  1 
ATOM   1479 C CG  . TRP D 1 48 ? -1.80493  -16.78969 3.39843  1.000 25.16820 ? 48  TRP D CG  1 
ATOM   1480 C CD1 . TRP D 1 48 ? -0.85067  -17.63175 2.90057  1.000 26.14335 ? 48  TRP D CD1 1 
ATOM   1481 C CD2 . TRP D 1 48 ? -2.41883  -17.48315 4.49415  1.000 19.15336 ? 48  TRP D CD2 1 
ATOM   1482 N NE1 . TRP D 1 48 ? -0.83048  -18.80257 3.62028  1.000 24.34840 ? 48  TRP D NE1 1 
ATOM   1483 C CE2 . TRP D 1 48 ? -1.77909  -18.73339 4.60914  1.000 23.65997 ? 48  TRP D CE2 1 
ATOM   1484 C CE3 . TRP D 1 48 ? -3.44027  -17.16453 5.39059  1.000 22.77479 ? 48  TRP D CE3 1 
ATOM   1485 C CZ2 . TRP D 1 48 ? -2.13155  -19.66414 5.57979  1.000 22.61026 ? 48  TRP D CZ2 1 
ATOM   1486 C CZ3 . TRP D 1 48 ? -3.79173  -18.09373 6.35520  1.000 23.21139 ? 48  TRP D CZ3 1 
ATOM   1487 C CH2 . TRP D 1 48 ? -3.13779  -19.32807 6.44142  1.000 21.69920 ? 48  TRP D CH2 1 
ATOM   1488 O OXT . TRP D 1 48 ? -3.21794  -13.48450 0.63268  1.000 27.85008 ? 48  TRP D OXT 1 
ATOM   1489 N N   . SER E 1 2  ? -9.41580  -14.60143 -3.72134 0.000 31.44198 ? 2   SER C N   1 
ATOM   1490 C CA  . SER E 1 2  ? -8.72789  -15.87321 -3.53525 0.000 31.16310 ? 2   SER C CA  1 
ATOM   1491 C C   . SER E 1 2  ? -8.03227  -15.92070 -2.17897 0.000 30.81049 ? 2   SER C C   1 
ATOM   1492 O O   . SER E 1 2  ? -7.79685  -16.99699 -1.62906 0.000 30.65295 ? 2   SER C O   1 
ATOM   1493 C CB  . SER E 1 2  ? -7.71654  -16.10658 -4.65966 0.000 31.02067 ? 2   SER C CB  1 
ATOM   1494 O OG  . SER E 1 2  ? -6.99877  -17.31167 -4.45882 0.000 30.88956 ? 2   SER C OG  1 
ATOM   1495 N N   . GLY E 1 3  ? -7.70593  -14.74879 -1.64330 1.000 29.89051 ? 3   GLY C N   1 
ATOM   1496 C CA  . GLY E 1 3  ? -7.08828  -14.63421 -0.33714 1.000 30.07981 ? 3   GLY C CA  1 
ATOM   1497 C C   . GLY E 1 3  ? -8.11209  -14.46460 0.76941  1.000 30.49582 ? 3   GLY C C   1 
ATOM   1498 O O   . GLY E 1 3  ? -9.29156  -14.79899 0.62796  1.000 26.95294 ? 3   GLY C O   1 
ATOM   1499 N N   . PHE E 1 4  ? -7.65261  -13.92225 1.88791  1.000 23.11302 ? 4   PHE C N   1 
ATOM   1500 C CA  . PHE E 1 4  ? -8.50928  -13.75176 3.05297  1.000 21.02330 ? 4   PHE C CA  1 
ATOM   1501 C C   . PHE E 1 4  ? -9.00791  -12.31806 3.17804  1.000 17.69444 ? 4   PHE C C   1 
ATOM   1502 O O   . PHE E 1 4  ? -8.30430  -11.36358 2.84023  1.000 23.42787 ? 4   PHE C O   1 
ATOM   1503 C CB  . PHE E 1 4  ? -7.76870  -14.18003 4.32554  1.000 22.09272 ? 4   PHE C CB  1 
ATOM   1504 C CG  . PHE E 1 4  ? -7.66924  -15.67294 4.47949  1.000 25.26300 ? 4   PHE C CG  1 
ATOM   1505 C CD1 . PHE E 1 4  ? -6.80025  -16.40654 3.69378  1.000 31.60204 ? 4   PHE C CD1 1 
ATOM   1506 C CD2 . PHE E 1 4  ? -8.46900  -16.34373 5.38000  1.000 22.53897 ? 4   PHE C CD2 1 
ATOM   1507 C CE1 . PHE E 1 4  ? -6.72046  -17.77645 3.81908  1.000 30.74382 ? 4   PHE C CE1 1 
ATOM   1508 C CE2 . PHE E 1 4  ? -8.39268  -17.71771 5.51050  1.000 27.42001 ? 4   PHE C CE2 1 
ATOM   1509 C CZ  . PHE E 1 4  ? -7.51757  -18.43383 4.72307  1.000 21.32543 ? 4   PHE C CZ  1 
ATOM   1510 N N   . LYS E 1 5  ? -10.24367 -12.18308 3.65311  1.000 17.93630 ? 5   LYS C N   1 
ATOM   1511 C CA  . LYS E 1 5  ? -10.82457 -10.88388 3.96133  1.000 21.71223 ? 5   LYS C CA  1 
ATOM   1512 C C   . LYS E 1 5  ? -10.45661 -10.43161 5.36692  1.000 18.73509 ? 5   LYS C C   1 
ATOM   1513 O O   . LYS E 1 5  ? -10.21597 -9.24011  5.59497  1.000 22.24802 ? 5   LYS C O   1 
ATOM   1514 C CB  . LYS E 1 5  ? -12.34738 -10.95039 3.83711  1.000 21.18589 ? 5   LYS C CB  1 
ATOM   1515 C CG  . LYS E 1 5  ? -13.04460 -9.60577  3.74892  1.000 37.03992 ? 5   LYS C CG  1 
ATOM   1516 C CD  . LYS E 1 5  ? -14.56701 -9.79573  3.74651  1.000 35.34978 ? 5   LYS C CD  1 
ATOM   1517 C CE  . LYS E 1 5  ? -15.27653 -8.65203  4.45928  1.000 37.84942 ? 5   LYS C CE  1 
ATOM   1518 N NZ  . LYS E 1 5  ? -16.75189 -8.63405  4.20397  1.000 33.22479 ? 5   LYS C NZ  1 
ATOM   1519 N N   . PHE E 1 6  ? -10.48693 -11.35720 6.32202  1.000 18.82213 ? 6   PHE C N   1 
ATOM   1520 C CA  . PHE E 1 6  ? -10.02603 -11.12534 7.68847  1.000 18.55858 ? 6   PHE C CA  1 
ATOM   1521 C C   . PHE E 1 6  ? -9.10061  -12.26481 8.07966  1.000 19.07576 ? 6   PHE C C   1 
ATOM   1522 O O   . PHE E 1 6  ? -9.27881  -13.40480 7.64935  1.000 19.37515 ? 6   PHE C O   1 
ATOM   1523 C CB  . PHE E 1 6  ? -11.17529 -11.06864 8.71513  1.000 18.60257 ? 6   PHE C CB  1 
ATOM   1524 C CG  . PHE E 1 6  ? -12.15642 -9.95222  8.49449  1.000 18.93756 ? 6   PHE C CG  1 
ATOM   1525 C CD1 . PHE E 1 6  ? -11.80855 -8.63841  8.76172  1.000 19.90075 ? 6   PHE C CD1 1 
ATOM   1526 C CD2 . PHE E 1 6  ? -13.44842 -10.22671 8.05444  1.000 21.34920 ? 6   PHE C CD2 1 
ATOM   1527 C CE1 . PHE E 1 6  ? -12.72037 -7.60596  8.57498  1.000 22.33707 ? 6   PHE C CE1 1 
ATOM   1528 C CE2 . PHE E 1 6  ? -14.36720 -9.20193  7.86796  1.000 21.32106 ? 6   PHE C CE2 1 
ATOM   1529 C CZ  . PHE E 1 6  ? -14.00260 -7.89092  8.12627  1.000 23.99573 ? 6   PHE C CZ  1 
ATOM   1530 N N   . LEU E 1 7  ? -8.12435  -11.95827 8.92221  1.000 18.77439 ? 7   LEU C N   1 
ATOM   1531 C CA  . LEU E 1 7  ? -7.22144  -12.98408 9.42831  1.000 14.92473 ? 7   LEU C CA  1 
ATOM   1532 C C   . LEU E 1 7  ? -6.74960  -12.49975 10.78632 1.000 14.32333 ? 7   LEU C C   1 
ATOM   1533 O O   . LEU E 1 7  ? -6.07887  -11.46806 10.85754 1.000 16.48780 ? 7   LEU C O   1 
ATOM   1534 C CB  . LEU E 1 7  ? -6.05045  -13.19510 8.46021  1.000 18.39321 ? 7   LEU C CB  1 
ATOM   1535 C CG  . LEU E 1 7  ? -5.10545  -14.35007 8.77185  1.000 18.68899 ? 7   LEU C CG  1 
ATOM   1536 C CD1 . LEU E 1 7  ? -5.85191  -15.66533 8.56870  1.000 18.06761 ? 7   LEU C CD1 1 
ATOM   1537 C CD2 . LEU E 1 7  ? -3.89242  -14.27869 7.85271  1.000 18.94699 ? 7   LEU C CD2 1 
ATOM   1538 N N   . PHE E 1 8  ? -7.11879  -13.21175 11.85580 1.000 16.82839 ? 8   PHE C N   1 
ATOM   1539 C CA  . PHE E 1 8  ? -6.90083  -12.67356 13.20090 1.000 17.41646 ? 8   PHE C CA  1 
ATOM   1540 C C   . PHE E 1 8  ? -6.89077  -13.79797 14.23103 1.000 17.31719 ? 8   PHE C C   1 
ATOM   1541 O O   . PHE E 1 8  ? -7.31799  -14.91848 13.95656 1.000 18.26458 ? 8   PHE C O   1 
ATOM   1542 C CB  . PHE E 1 8  ? -7.97642  -11.62638 13.53807 1.000 16.51591 ? 8   PHE C CB  1 
ATOM   1543 C CG  . PHE E 1 8  ? -9.39622  -12.14061 13.44179 1.000 18.23162 ? 8   PHE C CG  1 
ATOM   1544 C CD1 . PHE E 1 8  ? -10.03179 -12.27022 12.20411 1.000 15.45235 ? 8   PHE C CD1 1 
ATOM   1545 C CD2 . PHE E 1 8  ? -10.10754 -12.46162 14.59241 1.000 19.84985 ? 8   PHE C CD2 1 
ATOM   1546 C CE1 . PHE E 1 8  ? -11.34735 -12.74629 12.12570 1.000 16.60083 ? 8   PHE C CE1 1 
ATOM   1547 C CE2 . PHE E 1 8  ? -11.40584 -12.93242 14.51572 1.000 16.51357 ? 8   PHE C CE2 1 
ATOM   1548 C CZ  . PHE E 1 8  ? -12.03171 -13.06553 13.28066 1.000 17.73043 ? 8   PHE C CZ  1 
ATOM   1549 N N   . PHE E 1 9  ? -6.39248  -13.48763 15.44031 1.000 17.35163 ? 9   PHE C N   1 
ATOM   1550 C CA  . PHE E 1 9  ? -6.30764  -14.47643 16.51092 1.000 16.08874 ? 9   PHE C CA  1 
ATOM   1551 C C   . PHE E 1 9  ? -7.40261  -14.28111 17.54830 1.000 17.67538 ? 9   PHE C C   1 
ATOM   1552 O O   . PHE E 1 9  ? -7.77200  -13.15114 17.87867 1.000 21.66891 ? 9   PHE C O   1 
ATOM   1553 C CB  . PHE E 1 9  ? -4.94778  -14.42623 17.22428 1.000 17.39841 ? 9   PHE C CB  1 
ATOM   1554 C CG  . PHE E 1 9  ? -3.88566  -15.23581 16.53790 1.000 18.47738 ? 9   PHE C CG  1 
ATOM   1555 C CD1 . PHE E 1 9  ? -3.81496  -16.60637 16.72257 1.000 23.84446 ? 9   PHE C CD1 1 
ATOM   1556 C CD2 . PHE E 1 9  ? -2.97031  -14.62574 15.69155 1.000 17.47254 ? 9   PHE C CD2 1 
ATOM   1557 C CE1 . PHE E 1 9  ? -2.83700  -17.36149 16.07234 1.000 21.14456 ? 9   PHE C CE1 1 
ATOM   1558 C CE2 . PHE E 1 9  ? -1.99291  -15.37056 15.04519 1.000 20.40696 ? 9   PHE C CE2 1 
ATOM   1559 C CZ  . PHE E 1 9  ? -1.92613  -16.73724 15.23420 1.000 18.92990 ? 9   PHE C CZ  1 
ATOM   1560 N N   . SER E 1 10 ? -7.89979  -15.39332 18.06555 1.000 16.13786 ? 10  SER C N   1 
ATOM   1561 C CA  . SER E 1 10 ? -8.60158  -15.38458 19.33622 1.000 21.04348 ? 10  SER C CA  1 
ATOM   1562 C C   . SER E 1 10 ? -7.58961  -15.39846 20.48185 1.000 20.58955 ? 10  SER C C   1 
ATOM   1563 O O   . SER E 1 10 ? -6.44522  -15.81567 20.30878 1.000 18.24902 ? 10  SER C O   1 
ATOM   1564 C CB  . SER E 1 10 ? -9.53034  -16.58912 19.43448 1.000 25.58983 ? 10  SER C CB  1 
ATOM   1565 O OG  . SER E 1 10 ? -8.78425  -17.76549 19.66315 1.000 29.17185 ? 10  SER C OG  1 
ATOM   1566 N N   . PRO E 1 11 ? -7.98810  -14.95112 21.67405 1.000 21.95874 ? 11  PRO C N   1 
ATOM   1567 C CA  . PRO E 1 11 ? -7.02029  -14.89411 22.78896 1.000 19.22898 ? 11  PRO C CA  1 
ATOM   1568 C C   . PRO E 1 11 ? -6.51583  -16.25137 23.25144 1.000 21.56239 ? 11  PRO C C   1 
ATOM   1569 O O   . PRO E 1 11 ? -5.50158  -16.30119 23.95974 1.000 22.14218 ? 11  PRO C O   1 
ATOM   1570 C CB  . PRO E 1 11 ? -7.80647  -14.18066 23.90283 1.000 20.15909 ? 11  PRO C CB  1 
ATOM   1571 C CG  . PRO E 1 11 ? -9.22800  -14.31773 23.53440 1.000 22.21745 ? 11  PRO C CG  1 
ATOM   1572 C CD  . PRO E 1 11 ? -9.26788  -14.31867 22.02459 1.000 20.26198 ? 11  PRO C CD  1 
ATOM   1573 N N   . ASP E 1 12 ? -7.17566  -17.34805 22.88585 1.000 22.51730 ? 12  ASP C N   1 
ATOM   1574 C CA  . ASP E 1 12 ? -6.65905  -18.67272 23.20061 1.000 23.68661 ? 12  ASP C CA  1 
ATOM   1575 C C   . ASP E 1 12 ? -5.64876  -19.18947 22.18905 1.000 27.11825 ? 12  ASP C C   1 
ATOM   1576 O O   . ASP E 1 12 ? -5.18049  -20.32345 22.33574 1.000 25.12817 ? 12  ASP C O   1 
ATOM   1577 C CB  . ASP E 1 12 ? -7.80203  -19.68785 23.34387 1.000 25.78606 ? 12  ASP C CB  1 
ATOM   1578 C CG  . ASP E 1 12 ? -8.48938  -20.03598 22.01976 1.000 36.76645 ? 12  ASP C CG  1 
ATOM   1579 O OD1 . ASP E 1 12 ? -9.59596  -20.60804 22.11806 1.000 58.87759 ? 12  ASP C OD1 1 
ATOM   1580 O OD2 . ASP E 1 12 ? -7.97924  -19.76235 20.90981 1.000 55.12900 ? 12  ASP C OD2 1 
ATOM   1581 N N   . GLY E 1 13 ? -5.32090  -18.40369 21.16696 1.000 20.28589 ? 13  GLY C N   1 
ATOM   1582 C CA  . GLY E 1 13 ? -4.29171  -18.76256 20.21791 1.000 20.82374 ? 13  GLY C CA  1 
ATOM   1583 C C   . GLY E 1 13 ? -4.77389  -19.42241 18.94852 1.000 20.79295 ? 13  GLY C C   1 
ATOM   1584 O O   . GLY E 1 13 ? -3.93753  -19.86271 18.15417 1.000 22.37304 ? 13  GLY C O   1 
ATOM   1585 N N   . THR E 1 14 ? -6.08529  -19.51402 18.73556 1.000 20.58284 ? 14  THR C N   1 
ATOM   1586 C CA  . THR E 1 14 ? -6.61690  -20.07924 17.50316 1.000 23.79852 ? 14  THR C CA  1 
ATOM   1587 C C   . THR E 1 14 ? -6.64615  -19.02029 16.40926 1.000 21.89160 ? 14  THR C C   1 
ATOM   1588 O O   . THR E 1 14 ? -7.01057  -17.86727 16.65160 1.000 21.18819 ? 14  THR C O   1 
ATOM   1589 C CB  . THR E 1 14 ? -8.02526  -20.62942 17.74476 1.000 25.90410 ? 14  THR C CB  1 
ATOM   1590 O OG1 . THR E 1 14 ? -7.97989  -21.56594 18.83139 1.000 26.53473 ? 14  THR C OG1 1 
ATOM   1591 C CG2 . THR E 1 14 ? -8.57021  -21.31652 16.49547 1.000 28.29192 ? 14  THR C CG2 1 
ATOM   1592 N N   . LEU E 1 15 ? -6.26147  -19.41418 15.19640 1.000 17.13500 ? 15  LEU C N   1 
ATOM   1593 C CA  . LEU E 1 15 ? -6.29166  -18.50099 14.06290 1.000 20.19773 ? 15  LEU C CA  1 
ATOM   1594 C C   . LEU E 1 15 ? -7.67196  -18.54036 13.41280 1.000 20.86385 ? 15  LEU C C   1 
ATOM   1595 O O   . LEU E 1 15 ? -8.21061  -19.62020 13.15366 1.000 21.55177 ? 15  LEU C O   1 
ATOM   1596 C CB  . LEU E 1 15 ? -5.20247  -18.86790 13.04976 1.000 21.23515 ? 15  LEU C CB  1 
ATOM   1597 C CG  . LEU E 1 15 ? -5.12214  -17.96054 11.82109 1.000 18.80353 ? 15  LEU C CG  1 
ATOM   1598 C CD1 . LEU E 1 15 ? -4.66659  -16.56664 12.24054 1.000 18.67945 ? 15  LEU C CD1 1 
ATOM   1599 C CD2 . LEU E 1 15 ? -4.14141  -18.55285 10.78117 1.000 19.50481 ? 15  LEU C CD2 1 
ATOM   1600 N N   . TYR E 1 16 ? -8.24850  -17.36582 13.17561 1.000 18.87049 ? 16  TYR C N   1 
ATOM   1601 C CA  . TYR E 1 16 ? -9.53101  -17.24071 12.49569 1.000 19.52499 ? 16  TYR C CA  1 
ATOM   1602 C C   . TYR E 1 16 ? -9.32538  -16.55665 11.15178 1.000 18.88659 ? 16  TYR C C   1 
ATOM   1603 O O   . TYR E 1 16 ? -8.47916  -15.66801 11.00745 1.000 18.46365 ? 16  TYR C O   1 
ATOM   1604 C CB  . TYR E 1 16 ? -10.52553 -16.42716 13.32919 1.000 17.61938 ? 16  TYR C CB  1 
ATOM   1605 C CG  . TYR E 1 16 ? -11.17994 -17.17119 14.46937 1.000 20.59862 ? 16  TYR C CG  1 
ATOM   1606 C CD1 . TYR E 1 16 ? -10.42924 -17.65959 15.53461 1.000 19.27509 ? 16  TYR C CD1 1 
ATOM   1607 C CD2 . TYR E 1 16 ? -12.55819 -17.36351 14.49471 1.000 21.23302 ? 16  TYR C CD2 1 
ATOM   1608 C CE1 . TYR E 1 16 ? -11.04018 -18.33165 16.59192 1.000 25.47937 ? 16  TYR C CE1 1 
ATOM   1609 C CE2 . TYR E 1 16 ? -13.16948 -18.03499 15.54034 1.000 21.04102 ? 16  TYR C CE2 1 
ATOM   1610 C CZ  . TYR E 1 16 ? -12.40732 -18.51866 16.58482 1.000 23.98148 ? 16  TYR C CZ  1 
ATOM   1611 O OH  . TYR E 1 16 ? -13.03615 -19.18362 17.62389 1.000 23.99534 ? 16  TYR C OH  1 
ATOM   1612 N N   . GLY E 1 17 ? -10.11264 -16.95756 10.16217 1.000 18.60830 ? 17  GLY C N   1 
ATOM   1613 C CA  . GLY E 1 17 ? -9.97601  -16.30594 8.87460  1.000 19.24540 ? 17  GLY C CA  1 
ATOM   1614 C C   . GLY E 1 17 ? -11.26507 -16.30428 8.08564  1.000 20.56778 ? 17  GLY C C   1 
ATOM   1615 O O   . GLY E 1 17 ? -12.04408 -17.25797 8.18030  1.000 20.72482 ? 17  GLY C O   1 
ATOM   1616 N N   . VAL E 1 18 ? -11.52065 -15.24131 7.33123  1.000 16.90187 ? 18  VAL C N   1 
ATOM   1617 C CA  . VAL E 1 18 ? -12.66622 -15.19502 6.42105  1.000 18.99678 ? 18  VAL C CA  1 
ATOM   1618 C C   . VAL E 1 18 ? -12.13640 -15.37744 5.00010  1.000 19.59131 ? 18  VAL C C   1 
ATOM   1619 O O   . VAL E 1 18 ? -11.26075 -14.62775 4.54268  1.000 19.95074 ? 18  VAL C O   1 
ATOM   1620 C CB  . VAL E 1 18 ? -13.47890 -13.89649 6.56756  1.000 19.36036 ? 18  VAL C CB  1 
ATOM   1621 C CG1 . VAL E 1 18 ? -14.49884 -13.78248 5.43121  1.000 23.80295 ? 18  VAL C CG1 1 
ATOM   1622 C CG2 . VAL E 1 18 ? -14.22782 -13.86491 7.91094  1.000 18.18785 ? 18  VAL C CG2 1 
ATOM   1623 N N   . HIS E 1 19 ? -12.63593 -16.40740 4.31814  1.000 17.68235 ? 19  HIS C N   1 
ATOM   1624 C CA  . HIS E 1 19 ? -12.22850 -16.71500 2.95622  1.000 21.75151 ? 19  HIS C CA  1 
ATOM   1625 C C   . HIS E 1 19 ? -13.46154 -17.12898 2.16686  1.000 19.57127 ? 19  HIS C C   1 
ATOM   1626 O O   . HIS E 1 19 ? -14.20191 -18.01369 2.60425  1.000 19.92345 ? 19  HIS C O   1 
ATOM   1627 C CB  . HIS E 1 19 ? -11.18249 -17.83900 2.94445  1.000 23.91839 ? 19  HIS C CB  1 
ATOM   1628 C CG  . HIS E 1 19 ? -10.76266 -18.26106 1.56977  1.000 25.04794 ? 19  HIS C CG  1 
ATOM   1629 N ND1 . HIS E 1 19 ? -11.30153 -19.35590 0.92892  1.000 28.60043 ? 19  HIS C ND1 1 
ATOM   1630 C CD2 . HIS E 1 19 ? -9.84990  -17.73826 0.71799  1.000 32.86795 ? 19  HIS C CD2 1 
ATOM   1631 C CE1 . HIS E 1 19 ? -10.74168 -19.48543 -0.26087 1.000 29.18358 ? 19  HIS C CE1 1 
ATOM   1632 N NE2 . HIS E 1 19 ? -9.85505  -18.51800 -0.41129 1.000 33.62982 ? 19  HIS C NE2 1 
ATOM   1633 N N   . ASN E 1 20 ? -13.68240 -16.49194 1.01561  1.000 22.28292 ? 20  ASN C N   1 
ATOM   1634 C CA  . ASN E 1 20 ? -14.83368 -16.81473 0.15765  1.000 21.80056 ? 20  ASN C CA  1 
ATOM   1635 C C   . ASN E 1 20 ? -16.14678 -16.76199 0.94151  1.000 29.46428 ? 20  ASN C C   1 
ATOM   1636 O O   . ASN E 1 20 ? -16.99462 -17.65150 0.84242  1.000 27.75644 ? 20  ASN C O   1 
ATOM   1637 C CB  . ASN E 1 20 ? -14.64127 -18.17995 -0.50618 1.000 27.50119 ? 20  ASN C CB  1 
ATOM   1638 C CG  . ASN E 1 20 ? -15.63477 -18.43133 -1.63402 1.000 43.44319 ? 20  ASN C CG  1 
ATOM   1639 O OD1 . ASN E 1 20 ? -16.03604 -17.50719 -2.34235 1.000 40.98900 ? 20  ASN C OD1 1 
ATOM   1640 N ND2 . ASN E 1 20 ? -16.03125 -19.68877 -1.80443 1.000 43.69834 ? 20  ASN C ND2 1 
ATOM   1641 N N   . ASP E 1 21 ? -16.29668 -15.70464 1.74599  1.000 25.10249 ? 21  ASP C N   1 
ATOM   1642 C CA  . ASP E 1 21 ? -17.47635 -15.40921 2.56390  1.000 29.80222 ? 21  ASP C CA  1 
ATOM   1643 C C   . ASP E 1 21 ? -17.69101 -16.39771 3.69969  1.000 24.75896 ? 21  ASP C C   1 
ATOM   1644 O O   . ASP E 1 21 ? -18.72009 -16.31999 4.39036  1.000 26.97588 ? 21  ASP C O   1 
ATOM   1645 C CB  . ASP E 1 21 ? -18.76589 -15.34882 1.73052  1.000 33.22145 ? 21  ASP C CB  1 
ATOM   1646 C CG  . ASP E 1 21 ? -18.69048 -14.33656 0.60855  1.000 48.34262 ? 21  ASP C CG  1 
ATOM   1647 O OD1 . ASP E 1 21 ? -18.08617 -13.26096 0.80653  1.000 45.90758 ? 21  ASP C OD1 1 
ATOM   1648 O OD2 . ASP E 1 21 ? -19.24259 -14.61991 -0.47501 1.000 47.07634 ? 21  ASP C OD2 1 
ATOM   1649 N N   . LYS E 1 22 ? -16.76422 -17.32140 3.92255  1.000 19.70761 ? 22  LYS C N   1 
ATOM   1650 C CA  . LYS E 1 22 ? -16.88846 -18.33843 4.95413  1.000 21.91603 ? 22  LYS C CA  1 
ATOM   1651 C C   . LYS E 1 22 ? -15.90285 -18.05133 6.07857  1.000 26.49661 ? 22  LYS C C   1 
ATOM   1652 O O   . LYS E 1 22 ? -14.81709 -17.51865 5.84159  1.000 23.06312 ? 22  LYS C O   1 
ATOM   1653 C CB  . LYS E 1 22 ? -16.60829 -19.73138 4.38537  1.000 25.01134 ? 22  LYS C CB  1 
ATOM   1654 C CG  . LYS E 1 22 ? -17.62450 -20.19347 3.33222  1.000 30.44893 ? 22  LYS C CG  1 
ATOM   1655 C CD  . LYS E 1 22 ? -16.96529 -21.13652 2.33181  1.000 39.37418 ? 22  LYS C CD  1 
ATOM   1656 C CE  . LYS E 1 22 ? -17.98088 -21.76603 1.39236  1.000 52.52095 ? 22  LYS C CE  1 
ATOM   1657 N NZ  . LYS E 1 22 ? -17.68677 -23.21494 1.21103  1.000 46.04745 ? 22  LYS C NZ  1 
ATOM   1658 N N   . LEU E 1 23 ? -16.27486 -18.43203 7.29547  1.000 20.86109 ? 23  LEU C N   1 
ATOM   1659 C CA  . LEU E 1 23 ? -15.42357 -18.23813 8.46039  1.000 18.45412 ? 23  LEU C CA  1 
ATOM   1660 C C   . LEU E 1 23 ? -14.78647 -19.56426 8.85816  1.000 22.87939 ? 23  LEU C C   1 
ATOM   1661 O O   . LEU E 1 23 ? -15.47359 -20.58586 8.96975  1.000 21.79604 ? 23  LEU C O   1 
ATOM   1662 C CB  . LEU E 1 23 ? -16.22474 -17.64213 9.62224  1.000 23.75558 ? 23  LEU C CB  1 
ATOM   1663 C CG  . LEU E 1 23 ? -15.43428 -17.34948 10.89660 1.000 22.25380 ? 23  LEU C CG  1 
ATOM   1664 C CD1 . LEU E 1 23 ? -14.41628 -16.23708 10.65756 1.000 21.74470 ? 23  LEU C CD1 1 
ATOM   1665 C CD2 . LEU E 1 23 ? -16.39916 -16.98768 12.02931 1.000 24.04646 ? 23  LEU C CD2 1 
ATOM   1666 N N   . TYR E 1 24 ? -13.46919 -19.54050 9.07139  1.000 21.75302 ? 24  TYR C N   1 
ATOM   1667 C CA  . TYR E 1 24 ? -12.68214 -20.72768 9.36558  1.000 19.83010 ? 24  TYR C CA  1 
ATOM   1668 C C   . TYR E 1 24 ? -11.85670 -20.49234 10.61815 1.000 21.48927 ? 24  TYR C C   1 
ATOM   1669 O O   . TYR E 1 24 ? -11.47399 -19.35701 10.91090 1.000 20.63280 ? 24  TYR C O   1 
ATOM   1670 C CB  . TYR E 1 24 ? -11.71569 -21.05173 8.23091  1.000 21.91263 ? 24  TYR C CB  1 
ATOM   1671 C CG  . TYR E 1 24 ? -12.35395 -21.51273 6.94058  1.000 20.63154 ? 24  TYR C CG  1 
ATOM   1672 C CD1 . TYR E 1 24 ? -12.67388 -22.84880 6.74306  1.000 24.68599 ? 24  TYR C CD1 1 
ATOM   1673 C CD2 . TYR E 1 24 ? -12.60253 -20.61554 5.91449  1.000 24.84316 ? 24  TYR C CD2 1 
ATOM   1674 C CE1 . TYR E 1 24 ? -13.22979 -23.27751 5.54906  1.000 23.73094 ? 24  TYR C CE1 1 
ATOM   1675 C CE2 . TYR E 1 24 ? -13.16098 -21.03092 4.71925  1.000 23.42174 ? 24  TYR C CE2 1 
ATOM   1676 C CZ  . TYR E 1 24 ? -13.47346 -22.36115 4.54184  1.000 30.86798 ? 24  TYR C CZ  1 
ATOM   1677 O OH  . TYR E 1 24 ? -14.03466 -22.76564 3.34854  1.000 36.36115 ? 24  TYR C OH  1 
ATOM   1678 N N   . LYS E 1 25 ? -11.54412 -21.57500 11.33338 1.000 20.98702 ? 25  LYS C N   1 
ATOM   1679 C CA  . LYS E 1 25 ? -10.63452 -21.49727 12.46688 1.000 22.28048 ? 25  LYS C CA  1 
ATOM   1680 C C   . LYS E 1 25 ? -9.75123  -22.73735 12.50180 1.000 20.74501 ? 25  LYS C C   1 
ATOM   1681 O O   . LYS E 1 25 ? -10.10987 -23.79983 11.98677 1.000 23.75725 ? 25  LYS C O   1 
ATOM   1682 C CB  . LYS E 1 25 ? -11.38986 -21.34584 13.80638 1.000 21.71226 ? 25  LYS C CB  1 
ATOM   1683 C CG  . LYS E 1 25 ? -12.01424 -22.62738 14.32303 1.000 23.60367 ? 25  LYS C CG  1 
ATOM   1684 C CD  . LYS E 1 25 ? -12.45377 -22.46576 15.77773 1.000 27.15346 ? 25  LYS C CD  1 
ATOM   1685 C CE  . LYS E 1 25 ? -13.28716 -23.64005 16.27159 1.000 33.26384 ? 25  LYS C CE  1 
ATOM   1686 N NZ  . LYS E 1 25 ? -13.83202 -23.35505 17.63703 1.000 29.38379 ? 25  LYS C NZ  1 
ATOM   1687 N N   . GLY E 1 26 ? -8.58399  -22.59133 13.12691 1.000 20.90995 ? 26  GLY C N   1 
ATOM   1688 C CA  . GLY E 1 26 ? -7.66449  -23.70306 13.28366 1.000 20.31379 ? 26  GLY C CA  1 
ATOM   1689 C C   . GLY E 1 26 ? -6.37943  -23.23662 13.93385 1.000 24.64775 ? 26  GLY C C   1 
ATOM   1690 O O   . GLY E 1 26 ? -6.11724  -22.03437 13.96064 1.000 21.31817 ? 26  GLY C O   1 
ATOM   1691 N N   . THR E 1 27 ? -5.57552  -24.14719 14.47686 1.000 23.57885 ? 27  THR C N   1 
ATOM   1692 C CA  . THR E 1 27 ? -4.27639  -23.72887 14.97790 1.000 21.77094 ? 27  THR C CA  1 
ATOM   1693 C C   . THR E 1 27 ? -3.48042  -23.12594 13.81933 1.000 22.51738 ? 27  THR C C   1 
ATOM   1694 O O   . THR E 1 27 ? -3.63814  -23.54029 12.66729 1.000 20.82846 ? 27  THR C O   1 
ATOM   1695 C CB  . THR E 1 27 ? -3.50266  -24.90251 15.56978 1.000 27.40198 ? 27  THR C CB  1 
ATOM   1696 O OG1 . THR E 1 27 ? -3.33388  -25.91455 14.56625 1.000 30.51017 ? 27  THR C OG1 1 
ATOM   1697 C CG2 . THR E 1 27 ? -4.25887  -25.48676 16.76330 1.000 31.18713 ? 27  THR C CG2 1 
ATOM   1698 N N   . PRO E 1 28 ? -2.64242  -22.12150 14.07971 1.000 22.19039 ? 28  PRO C N   1 
ATOM   1699 C CA  . PRO E 1 28 ? -1.93341  -21.48142 12.97924 1.000 22.24115 ? 28  PRO C CA  1 
ATOM   1700 C C   . PRO E 1 28 ? -0.94282  -22.44666 12.35631 1.000 23.52612 ? 28  PRO C C   1 
ATOM   1701 O O   . PRO E 1 28 ? -0.48367  -23.39724 13.01266 1.000 25.02896 ? 28  PRO C O   1 
ATOM   1702 C CB  . PRO E 1 28 ? -1.22025  -20.29602 13.65436 1.000 20.96063 ? 28  PRO C CB  1 
ATOM   1703 C CG  . PRO E 1 28 ? -1.13792  -20.66650 15.10550 1.000 22.19374 ? 28  PRO C CG  1 
ATOM   1704 C CD  . PRO E 1 28 ? -2.40539  -21.44417 15.36751 1.000 23.00951 ? 28  PRO C CD  1 
ATOM   1705 N N   . PRO E 1 29 ? -0.59373  -22.25174 11.09184 1.000 23.07979 ? 29  PRO C N   1 
ATOM   1706 C CA  . PRO E 1 29 ? 0.40746   -23.12185 10.46712 1.000 24.27989 ? 29  PRO C CA  1 
ATOM   1707 C C   . PRO E 1 29 ? 1.78515   -22.85778 11.04753 1.000 27.77109 ? 29  PRO C C   1 
ATOM   1708 O O   . PRO E 1 29 ? 2.09764   -21.74724 11.48065 1.000 24.30548 ? 29  PRO C O   1 
ATOM   1709 C CB  . PRO E 1 29 ? 0.34307   -22.73309 8.98716  1.000 28.07456 ? 29  PRO C CB  1 
ATOM   1710 C CG  . PRO E 1 29 ? -0.12383  -21.31081 9.00661  1.000 24.23159 ? 29  PRO C CG  1 
ATOM   1711 C CD  . PRO E 1 29 ? -1.03437  -21.16596 10.19729 1.000 20.77730 ? 29  PRO C CD  1 
ATOM   1712 N N   . THR E 1 30 ? 2.61016   -23.90641 11.07419 1.000 31.62151 ? 30  THR C N   1 
ATOM   1713 C CA  . THR E 1 30 ? 3.98377   -23.78858 11.54346 1.000 30.39622 ? 30  THR C CA  1 
ATOM   1714 C C   . THR E 1 30 ? 5.01113   -23.87102 10.42479 1.000 36.26887 ? 30  THR C C   1 
ATOM   1715 O O   . THR E 1 30 ? 6.19745   -23.63210 10.67920 1.000 36.49969 ? 30  THR C O   1 
ATOM   1716 C CB  . THR E 1 30 ? 4.29572   -24.87509 12.58391 1.000 40.22017 ? 30  THR C CB  1 
ATOM   1717 O OG1 . THR E 1 30 ? 3.72149   -26.11858 12.16646 1.000 50.35210 ? 30  THR C OG1 1 
ATOM   1718 C CG2 . THR E 1 30 ? 3.71765   -24.48693 13.93520 1.000 44.36577 ? 30  THR C CG2 1 
ATOM   1719 N N   . SER E 1 31 ? 4.59767   -24.20005 9.20363  1.000 34.55879 ? 31  SER C N   1 
ATOM   1720 C CA  . SER E 1 31 ? 5.53194   -24.26086 8.08936  1.000 36.05345 ? 31  SER C CA  1 
ATOM   1721 C C   . SER E 1 31 ? 4.75596   -24.12407 6.79042  1.000 29.71214 ? 31  SER C C   1 
ATOM   1722 O O   . SER E 1 31 ? 3.54967   -24.38427 6.73294  1.000 27.02813 ? 31  SER C O   1 
ATOM   1723 C CB  . SER E 1 31 ? 6.33697   -25.56577 8.09474  1.000 48.63460 ? 31  SER C CB  1 
ATOM   1724 O OG  . SER E 1 31 ? 5.68003   -26.57413 7.34387  1.000 45.53166 ? 31  SER C OG  1 
ATOM   1725 N N   . ASP E 1 32 ? 5.47392   -23.73700 5.73272  1.000 30.54160 ? 32  ASP C N   1 
ATOM   1726 C CA  . ASP E 1 32 ? 4.81715   -23.52883 4.44993  1.000 34.08172 ? 32  ASP C CA  1 
ATOM   1727 C C   . ASP E 1 32 ? 4.32909   -24.82321 3.81774  1.000 37.56382 ? 32  ASP C C   1 
ATOM   1728 O O   . ASP E 1 32 ? 3.68266   -24.76104 2.76985  1.000 35.28024 ? 32  ASP C O   1 
ATOM   1729 C CB  . ASP E 1 32 ? 5.74544   -22.81855 3.45857  1.000 46.89567 ? 32  ASP C CB  1 
ATOM   1730 C CG  . ASP E 1 32 ? 7.11260   -23.47809 3.34875  1.000 48.47699 ? 32  ASP C CG  1 
ATOM   1731 O OD1 . ASP E 1 32 ? 7.41508   -24.39011 4.14686  1.000 45.35608 ? 32  ASP C OD1 1 
ATOM   1732 O OD2 . ASP E 1 32 ? 7.88767   -23.07586 2.45582  1.000 59.72054 ? 32  ASP C OD2 1 
ATOM   1733 N N   . LYS E 1 33 ? 4.62929   -25.98571 4.39868  1.000 31.97255 ? 33  LYS C N   1 
ATOM   1734 C CA  . LYS E 1 33 ? 4.06649   -27.22858 3.88054  1.000 36.17405 ? 33  LYS C CA  1 
ATOM   1735 C C   . LYS E 1 33 ? 2.69134   -27.54271 4.46194  1.000 35.35461 ? 33  LYS C C   1 
ATOM   1736 O O   . LYS E 1 33 ? 2.02294   -28.46053 3.97162  1.000 33.77579 ? 33  LYS C O   1 
ATOM   1737 C CB  . LYS E 1 33 ? 5.02227   -28.40278 4.14069  1.000 36.08317 ? 33  LYS C CB  1 
ATOM   1738 C CG  . LYS E 1 33 ? 6.49899   -28.10430 3.84115  1.000 38.24934 ? 33  LYS C CG  1 
ATOM   1739 C CD  . LYS E 1 33 ? 6.72134   -27.66164 2.40647  0.000 39.63018 ? 33  LYS C CD  1 
ATOM   1740 C CE  . LYS E 1 33 ? 8.12261   -28.02771 1.94415  0.000 40.00022 ? 33  LYS C CE  1 
ATOM   1741 N NZ  . LYS E 1 33 ? 8.19662   -28.22523 0.47259  0.000 37.84870 ? 33  LYS C NZ  1 
ATOM   1742 N N   . ASP E 1 34 ? 2.25894   -26.79640 5.47881  1.000 31.31897 ? 34  ASP C N   1 
ATOM   1743 C CA  . ASP E 1 34 ? 0.97522   -26.99559 6.14872  1.000 32.64464 ? 34  ASP C CA  1 
ATOM   1744 C C   . ASP E 1 34 ? -0.10540  -26.24059 5.37034  1.000 36.42653 ? 34  ASP C C   1 
ATOM   1745 O O   . ASP E 1 34 ? -0.12248  -25.00626 5.36616  1.000 32.33159 ? 34  ASP C O   1 
ATOM   1746 C CB  . ASP E 1 34 ? 1.09198   -26.50287 7.59279  1.000 33.27182 ? 34  ASP C CB  1 
ATOM   1747 C CG  . ASP E 1 34 ? -0.15461  -26.76799 8.43933  1.000 34.04211 ? 34  ASP C CG  1 
ATOM   1748 O OD1 . ASP E 1 34 ? -1.14076  -27.36032 7.94449  1.000 37.22811 ? 34  ASP C OD1 1 
ATOM   1749 O OD2 . ASP E 1 34 ? -0.13563  -26.36382 9.62534  1.000 33.74276 ? 34  ASP C OD2 1 
ATOM   1750 N N   . ASN E 1 35 ? -0.99567  -26.97170 4.69115  1.000 31.34508 ? 35  ASN C N   1 
ATOM   1751 C CA  . ASN E 1 35 ? -2.11352  -26.34129 3.98112  1.000 27.48287 ? 35  ASN C CA  1 
ATOM   1752 C C   . ASN E 1 35 ? -3.20187  -26.01459 4.99750  1.000 26.79242 ? 35  ASN C C   1 
ATOM   1753 O O   . ASN E 1 35 ? -4.03149  -26.86336 5.33648  1.000 27.70127 ? 35  ASN C O   1 
ATOM   1754 C CB  . ASN E 1 35 ? -2.65980  -27.23768 2.87504  1.000 30.93780 ? 35  ASN C CB  1 
ATOM   1755 C CG  . ASN E 1 35 ? -3.65614  -26.50960 1.97747  1.000 30.92226 ? 35  ASN C CG  1 
ATOM   1756 O OD1 . ASN E 1 35 ? -4.39726  -25.63332 2.43280  1.000 33.63051 ? 35  ASN C OD1 1 
ATOM   1757 N ND2 . ASN E 1 35 ? -3.68929  -26.87911 0.70470  1.000 32.59918 ? 35  ASN C ND2 1 
ATOM   1758 N N   . TRP E 1 36 ? -3.20980  -24.76811 5.46838  1.000 26.37915 ? 36  TRP C N   1 
ATOM   1759 C CA  . TRP E 1 36 ? -4.09235  -24.39542 6.57061  1.000 24.15151 ? 36  TRP C CA  1 
ATOM   1760 C C   . TRP E 1 36 ? -5.55862  -24.44930 6.14983  1.000 27.39513 ? 36  TRP C C   1 
ATOM   1761 O O   . TRP E 1 36 ? -6.39511  -25.03100 6.85273  1.000 24.00206 ? 36  TRP C O   1 
ATOM   1762 C CB  . TRP E 1 36 ? -3.72245  -22.99932 7.07595  1.000 22.28699 ? 36  TRP C CB  1 
ATOM   1763 C CG  . TRP E 1 36 ? -4.46440  -22.59291 8.31611  1.000 24.59053 ? 36  TRP C CG  1 
ATOM   1764 C CD1 . TRP E 1 36 ? -4.10949  -22.86892 9.61043  1.000 21.34234 ? 36  TRP C CD1 1 
ATOM   1765 C CD2 . TRP E 1 36 ? -5.67302  -21.82045 8.38746  1.000 19.60495 ? 36  TRP C CD2 1 
ATOM   1766 N NE1 . TRP E 1 36 ? -5.03041  -22.32875 10.47772 1.000 23.60046 ? 36  TRP C NE1 1 
ATOM   1767 C CE2 . TRP E 1 36 ? -5.99696  -21.67837 9.75813  1.000 23.20040 ? 36  TRP C CE2 1 
ATOM   1768 C CE3 . TRP E 1 36 ? -6.51151  -21.23905 7.43370  1.000 22.79799 ? 36  TRP C CE3 1 
ATOM   1769 C CZ2 . TRP E 1 36 ? -7.12748  -20.98263 10.19315 1.000 21.90164 ? 36  TRP C CZ2 1 
ATOM   1770 C CZ3 . TRP E 1 36 ? -7.63713  -20.55151 7.86176  1.000 23.71812 ? 36  TRP C CZ3 1 
ATOM   1771 C CH2 . TRP E 1 36 ? -7.93536  -20.42918 9.23197  1.000 23.30885 ? 36  TRP C CH2 1 
ATOM   1772 N N   . LEU E 1 37 ? -5.88812  -23.84297 5.00836  1.000 20.13810 ? 37  LEU C N   1 
ATOM   1773 C CA  . LEU E 1 37 ? -7.28368  -23.76529 4.58530  1.000 22.46487 ? 37  LEU C CA  1 
ATOM   1774 C C   . LEU E 1 37 ? -7.87361  -25.15045 4.35458  1.000 26.84642 ? 37  LEU C C   1 
ATOM   1775 O O   . LEU E 1 37 ? -9.05827  -25.37562 4.63234  1.000 29.66012 ? 37  LEU C O   1 
ATOM   1776 C CB  . LEU E 1 37 ? -7.40476  -22.91518 3.32349  1.000 24.61819 ? 37  LEU C CB  1 
ATOM   1777 C CG  . LEU E 1 37 ? -8.81232  -22.70766 2.75930  1.000 29.61515 ? 37  LEU C CG  1 
ATOM   1778 C CD1 . LEU E 1 37 ? -9.67664  -21.96475 3.76752  1.000 23.40125 ? 37  LEU C CD1 1 
ATOM   1779 C CD2 . LEU E 1 37 ? -8.75027  -21.96909 1.42528  1.000 27.86443 ? 37  LEU C CD2 1 
ATOM   1780 N N   . ALA E 1 38 ? -7.05885  -26.09688 3.88244  1.000 25.33580 ? 38  ALA C N   1 
ATOM   1781 C CA  . ALA E 1 38 ? -7.55815  -27.44665 3.63832  1.000 29.20060 ? 38  ALA C CA  1 
ATOM   1782 C C   . ALA E 1 38 ? -7.89748  -28.18178 4.92993  1.000 31.00178 ? 38  ALA C C   1 
ATOM   1783 O O   . ALA E 1 38 ? -8.75148  -29.07496 4.91528  1.000 29.95409 ? 38  ALA C O   1 
ATOM   1784 C CB  . ALA E 1 38 ? -6.54081  -28.25279 2.83155  1.000 26.54170 ? 38  ALA C CB  1 
ATOM   1785 N N   . ARG E 1 39 ? -7.24891  -27.84069 6.05035  1.000 24.65536 ? 39  ARG C N   1 
ATOM   1786 C CA  . ARG E 1 39 ? -7.53977  -28.49758 7.31872  1.000 24.24932 ? 39  ARG C CA  1 
ATOM   1787 C C   . ARG E 1 39 ? -8.35346  -27.64983 8.28392  1.000 29.99687 ? 39  ARG C C   1 
ATOM   1788 O O   . ARG E 1 39 ? -8.75274  -28.15976 9.33825  1.000 29.57444 ? 39  ARG C O   1 
ATOM   1789 C CB  . ARG E 1 39 ? -6.24156  -28.93184 8.01688  1.000 30.38664 ? 39  ARG C CB  1 
ATOM   1790 C CG  . ARG E 1 39 ? -5.35384  -27.78098 8.45631  1.000 23.68844 ? 39  ARG C CG  1 
ATOM   1791 C CD  . ARG E 1 39 ? -4.28708  -28.27448 9.41226  1.000 29.65305 ? 39  ARG C CD  1 
ATOM   1792 N NE  . ARG E 1 39 ? -3.31901  -27.24693 9.78282  1.000 28.45307 ? 39  ARG C NE  1 
ATOM   1793 C CZ  . ARG E 1 39 ? -3.42328  -26.44580 10.83676 1.000 23.70240 ? 39  ARG C CZ  1 
ATOM   1794 N NH1 . ARG E 1 39 ? -4.48678  -26.47054 11.62617 1.000 24.52279 ? 39  ARG C NH1 1 
ATOM   1795 N NH2 . ARG E 1 39 ? -2.43498  -25.59442 11.10098 1.000 27.71585 ? 39  ARG C NH2 1 
ATOM   1796 N N   . ALA E 1 40 ? -8.61768  -26.38731 7.96403  1.000 24.55195 ? 40  ALA C N   1 
ATOM   1797 C CA  . ALA E 1 40 ? -9.31591  -25.52135 8.90606  1.000 23.67116 ? 40  ALA C CA  1 
ATOM   1798 C C   . ALA E 1 40 ? -10.76890 -25.95634 9.10015  1.000 22.20926 ? 40  ALA C C   1 
ATOM   1799 O O   . ALA E 1 40 ? -11.40158 -26.52390 8.20466  1.000 28.37344 ? 40  ALA C O   1 
ATOM   1800 C CB  . ALA E 1 40 ? -9.27599  -24.07484 8.42047  1.000 24.74447 ? 40  ALA C CB  1 
ATOM   1801 N N   . THR E 1 41 ? -11.29782 -25.66970 10.28714 1.000 25.31163 ? 41  THR C N   1 
ATOM   1802 C CA  . THR E 1 41 ? -12.67803 -26.00207 10.62186 1.000 28.48808 ? 41  THR C CA  1 
ATOM   1803 C C   . THR E 1 41 ? -13.61745 -24.91361 10.11402 1.000 24.45167 ? 41  THR C C   1 
ATOM   1804 O O   . THR E 1 41 ? -13.46253 -23.73935 10.46366 1.000 24.88015 ? 41  THR C O   1 
ATOM   1805 C CB  . THR E 1 41 ? -12.84258 -26.16623 12.13039 1.000 26.69709 ? 41  THR C CB  1 
ATOM   1806 O OG1 . THR E 1 41 ? -11.96588 -27.19368 12.60364 1.000 29.79249 ? 41  THR C OG1 1 
ATOM   1807 C CG2 . THR E 1 41 ? -14.28367 -26.54904 12.46037 1.000 37.01696 ? 41  THR C CG2 1 
ATOM   1808 N N   . LEU E 1 42 ? -14.60468 -25.30294 9.31088  1.000 26.56690 ? 42  LEU C N   1 
ATOM   1809 C CA  . LEU E 1 42 ? -15.64762 -24.36863 8.91012  1.000 29.85970 ? 42  LEU C CA  1 
ATOM   1810 C C   . LEU E 1 42 ? -16.54809 -24.04774 10.09932 1.000 30.56298 ? 42  LEU C C   1 
ATOM   1811 O O   . LEU E 1 42 ? -17.10228 -24.95608 10.72719 1.000 29.24042 ? 42  LEU C O   1 
ATOM   1812 C CB  . LEU E 1 42 ? -16.48729 -24.96045 7.77948  1.000 27.69329 ? 42  LEU C CB  1 
ATOM   1813 C CG  . LEU E 1 42 ? -17.51409 -23.96927 7.24477  1.000 24.86950 ? 42  LEU C CG  1 
ATOM   1814 C CD1 . LEU E 1 42 ? -16.82901 -22.78460 6.56266  1.000 25.98178 ? 42  LEU C CD1 1 
ATOM   1815 C CD2 . LEU E 1 42 ? -18.57139 -24.63307 6.35151  1.000 28.01598 ? 42  LEU C CD2 1 
ATOM   1816 N N   . ILE E 1 43 ? -16.70207 -22.75784 10.41475 1.000 25.81573 ? 43  ILE C N   1 
ATOM   1817 C CA  . ILE E 1 43 ? -17.56669 -22.36158 11.52593 1.000 24.95921 ? 43  ILE C CA  1 
ATOM   1818 C C   . ILE E 1 43 ? -18.58337 -21.32608 11.06250 1.000 30.59420 ? 43  ILE C C   1 
ATOM   1819 O O   . ILE E 1 43 ? -19.33729 -20.77257 11.87086 1.000 30.88602 ? 43  ILE C O   1 
ATOM   1820 C CB  . ILE E 1 43 ? -16.75572 -21.83185 12.72560 1.000 27.24608 ? 43  ILE C CB  1 
ATOM   1821 C CG1 . ILE E 1 43 ? -15.90883 -20.62036 12.32322 1.000 22.90721 ? 43  ILE C CG1 1 
ATOM   1822 C CG2 . ILE E 1 43 ? -15.87953 -22.94036 13.30444 1.000 31.84936 ? 43  ILE C CG2 1 
ATOM   1823 C CD1 . ILE E 1 43 ? -15.10127 -20.01558 13.48534 1.000 22.72180 ? 43  ILE C CD1 1 
ATOM   1824 N N   . GLY E 1 44 ? -18.62021 -21.06151 9.76173  1.000 26.67910 ? 44  GLY C N   1 
ATOM   1825 C CA  . GLY E 1 44 ? -19.63593 -20.17870 9.21817  1.000 30.49602 ? 44  GLY C CA  1 
ATOM   1826 C C   . GLY E 1 44 ? -19.66613 -20.16987 7.70153  1.000 33.65383 ? 44  GLY C C   1 
ATOM   1827 O O   . GLY E 1 44 ? -18.64903 -19.88954 7.06482  1.000 30.65966 ? 44  GLY C O   1 
ATOM   1828 N N   . ASN E 1 45 ? -20.81091 -20.47227 7.09380  1.000 27.32196 ? 45  ASN C N   1 
ATOM   1829 C CA  . ASN E 1 45 ? -20.91249 -20.48067 5.63571  1.000 32.36040 ? 45  ASN C CA  1 
ATOM   1830 C C   . ASN E 1 45 ? -21.83164 -19.32530 5.25652  1.000 43.13014 ? 45  ASN C C   1 
ATOM   1831 O O   . ASN E 1 45 ? -23.05893 -19.42881 5.36892  1.000 40.09652 ? 45  ASN C O   1 
ATOM   1832 C CB  . ASN E 1 45 ? -21.42960 -21.82030 5.11593  1.000 38.53704 ? 45  ASN C CB  1 
ATOM   1833 C CG  . ASN E 1 45 ? -21.40389 -21.92078 3.58455  1.000 51.24765 ? 45  ASN C CG  1 
ATOM   1834 O OD1 . ASN E 1 45 ? -21.38969 -23.02343 3.03414  1.000 58.82913 ? 45  ASN C OD1 1 
ATOM   1835 N ND2 . ASN E 1 45 ? -21.36762 -20.78082 2.89913  1.000 55.88125 ? 45  ASN C ND2 1 
ATOM   1836 N N   . GLY E 1 46 ? -21.23172 -18.23420 4.81519  1.000 32.55860 ? 46  GLY C N   1 
ATOM   1837 C CA  . GLY E 1 46 ? -21.95839 -17.12858 4.23252  1.000 30.74722 ? 46  GLY C CA  1 
ATOM   1838 C C   . GLY E 1 46 ? -22.17409 -15.98859 5.20581  1.000 33.22122 ? 46  GLY C C   1 
ATOM   1839 O O   . GLY E 1 46 ? -22.29978 -16.17892 6.42338  1.000 33.73543 ? 46  GLY C O   1 
ATOM   1840 N N   . GLY E 1 47 ? -22.20223 -14.77489 4.66505  1.000 27.96030 ? 47  GLY C N   1 
ATOM   1841 C CA  . GLY E 1 47 ? -22.54846 -13.60657 5.44391  1.000 36.89240 ? 47  GLY C CA  1 
ATOM   1842 C C   . GLY E 1 47 ? -21.39662 -12.90037 6.12615  1.000 30.82555 ? 47  GLY C C   1 
ATOM   1843 O O   . GLY E 1 47 ? -21.63789 -11.90028 6.81861  1.000 32.03377 ? 47  GLY C O   1 
ATOM   1844 N N   . TRP E 1 48 ? -20.15993 -13.37418 5.95213  1.000 31.09767 ? 48  TRP C N   1 
ATOM   1845 C CA  . TRP E 1 48 ? -18.99749 -12.78764 6.64206  1.000 30.22920 ? 48  TRP C CA  1 
ATOM   1846 C C   . TRP E 1 48 ? -18.21742 -11.86370 5.72056  1.000 32.24767 ? 48  TRP C C   1 
ATOM   1847 O O   . TRP E 1 48 ? -17.63980 -10.85782 6.15056  1.000 30.28087 ? 48  TRP C O   1 
ATOM   1848 C CB  . TRP E 1 48 ? -18.06858 -13.88400 7.18811  1.000 22.64858 ? 48  TRP C CB  1 
ATOM   1849 C CG  . TRP E 1 48 ? -18.76582 -14.84547 8.11815  1.000 26.40795 ? 48  TRP C CG  1 
ATOM   1850 C CD1 . TRP E 1 48 ? -19.30262 -16.05639 7.78816  1.000 29.84906 ? 48  TRP C CD1 1 
ATOM   1851 C CD2 . TRP E 1 48 ? -19.00542 -14.67132 9.52461  1.000 22.50420 ? 48  TRP C CD2 1 
ATOM   1852 N NE1 . TRP E 1 48 ? -19.86080 -16.64746 8.89683  1.000 27.42396 ? 48  TRP C NE1 1 
ATOM   1853 C CE2 . TRP E 1 48 ? -19.69193 -15.81775 9.97627  1.000 26.15513 ? 48  TRP C CE2 1 
ATOM   1854 C CE3 . TRP E 1 48 ? -18.70984 -13.65582 10.44401 1.000 24.38981 ? 48  TRP C CE3 1 
ATOM   1855 C CZ2 . TRP E 1 48 ? -20.09394 -15.97661 11.30186 1.000 26.97783 ? 48  TRP C CZ2 1 
ATOM   1856 C CZ3 . TRP E 1 48 ? -19.10994 -13.81730 11.76577 1.000 24.82796 ? 48  TRP C CZ3 1 
ATOM   1857 C CH2 . TRP E 1 48 ? -19.79360 -14.97076 12.18200 1.000 28.03120 ? 48  TRP C CH2 1 
ATOM   1858 O OXT . TRP E 1 48 ? -18.16188 -12.11211 4.51294  1.000 28.84715 ? 48  TRP C OXT 1 
HETATM 1859 C C1  . NDG F 2 .  ? -24.58095 6.20658   19.33105 0.420 35.09262 ? 101 NDG A C1  1 
HETATM 1860 C C2  . NDG F 2 .  ? -23.87352 4.83809   19.18614 0.420 33.35120 ? 101 NDG A C2  1 
HETATM 1861 C C3  . NDG F 2 .  ? -24.90521 3.78231   18.78112 0.420 34.01339 ? 101 NDG A C3  1 
HETATM 1862 C C4  . NDG F 2 .  ? -26.02275 3.74072   19.81753 0.420 30.98628 ? 101 NDG A C4  1 
HETATM 1863 C C5  . NDG F 2 .  ? -26.67273 5.13012   19.82727 0.420 31.04979 ? 101 NDG A C5  1 
HETATM 1864 C C6  . NDG F 2 .  ? -27.82470 5.25856   20.82647 0.420 41.47324 ? 101 NDG A C6  1 
HETATM 1865 C C7  . NDG F 2 .  ? -21.49848 5.16470   18.50590 0.420 26.86391 ? 101 NDG A C7  1 
HETATM 1866 C C8  . NDG F 2 .  ? -20.55655 5.06290   17.31667 0.420 24.38590 ? 101 NDG A C8  1 
HETATM 1867 O O5  . NDG F 2 .  ? -25.68981 6.09054   20.22457 0.420 29.38416 ? 101 NDG A O5  1 
HETATM 1868 O O3  . NDG F 2 .  ? -24.24089 2.53616   18.65612 0.420 30.34396 ? 101 NDG A O3  1 
HETATM 1869 O O4  . NDG F 2 .  ? -26.92347 2.69665   19.46411 0.420 25.78935 ? 101 NDG A O4  1 
HETATM 1870 O O6  . NDG F 2 .  ? -28.50447 6.51319   20.68724 0.420 37.87260 ? 101 NDG A O6  1 
HETATM 1871 O O7  . NDG F 2 .  ? -21.12200 5.52081   19.62000 0.420 23.91642 ? 101 NDG A O7  1 
HETATM 1872 N N2  . NDG F 2 .  ? -22.78879 4.82096   18.21528 0.420 31.98460 ? 101 NDG A N2  1 
HETATM 1873 O O1  . NDG F 2 .  ? -24.99389 6.64261   18.06073 0.420 34.03704 ? 101 NDG A O1  1 
HETATM 1874 C C1  . NDG G 2 .  ? -25.71507 -17.42746 9.10747  0.820 34.38518 ? 101 NDG B C1  1 
HETATM 1875 C C2  . NDG G 2 .  ? -24.21153 -17.36317 9.46136  0.820 28.32133 ? 101 NDG B C2  1 
HETATM 1876 C C3  . NDG G 2 .  ? -23.45843 -18.49983 8.76964  0.820 33.85658 ? 101 NDG B C3  1 
HETATM 1877 C C4  . NDG G 2 .  ? -24.10175 -19.84461 9.10546  0.820 32.15177 ? 101 NDG B C4  1 
HETATM 1878 C C5  . NDG G 2 .  ? -25.62324 -19.82378 8.86195  0.820 39.29820 ? 101 NDG B C5  1 
HETATM 1879 C C6  . NDG G 2 .  ? -26.33048 -21.03887 9.47323  0.820 38.90783 ? 101 NDG B C6  1 
HETATM 1880 C C7  . NDG G 2 .  ? -23.50777 -15.08068 10.05317 0.820 27.93781 ? 101 NDG B C7  1 
HETATM 1881 C C8  . NDG G 2 .  ? -22.79827 -13.82539 9.56627  0.820 28.87815 ? 101 NDG B C8  1 
HETATM 1882 O O5  . NDG G 2 .  ? -26.23709 -18.69695 9.49341  0.820 32.07507 ? 101 NDG B O5  1 
HETATM 1883 O O3  . NDG G 2 .  ? -22.12040 -18.45129 9.25475  0.820 28.48132 ? 101 NDG B O3  1 
HETATM 1884 O O4  . NDG G 2 .  ? -23.45128 -20.81957 8.30057  0.820 31.28394 ? 101 NDG B O4  1 
HETATM 1885 O O6  . NDG G 2 .  ? -27.65558 -21.18533 8.94766  0.820 40.35936 ? 101 NDG B O6  1 
HETATM 1886 O O7  . NDG G 2 .  ? -23.99136 -15.17084 11.17445 0.820 26.12060 ? 101 NDG B O7  1 
HETATM 1887 N N2  . NDG G 2 .  ? -23.56836 -16.09734 9.14322  0.820 30.60750 ? 101 NDG B N2  1 
HETATM 1888 O O1  . NDG G 2 .  ? -25.83604 -17.20980 7.72996  0.820 37.61295 ? 101 NDG B O1  1 
HETATM 1889 C C1  . FWQ H 3 .  ? -0.06676  17.50959  14.38283 0.760 37.36501 ? 101 FWQ E C1  1 
HETATM 1890 C C2  . FWQ H 3 .  ? 0.62675   16.70280  15.28135 0.760 40.96823 ? 101 FWQ E C2  1 
HETATM 1891 C C3  . FWQ H 3 .  ? 0.98342   15.41103  14.88005 0.760 39.24620 ? 101 FWQ E C3  1 
HETATM 1892 C C4  . FWQ H 3 .  ? 0.64267   14.91363  13.62490 0.760 37.78905 ? 101 FWQ E C4  1 
HETATM 1893 C C5  . FWQ H 3 .  ? -0.04990  15.74709  12.74475 0.760 37.94425 ? 101 FWQ E C5  1 
HETATM 1894 C C6  . FWQ H 3 .  ? -0.39756  17.03520  13.12394 0.760 42.46929 ? 101 FWQ E C6  1 
HETATM 1895 C C7  . FWQ H 3 .  ? 0.95753   17.21491  16.66905 0.760 41.51438 ? 101 FWQ E C7  1 
HETATM 1896 C C8  . FWQ H 3 .  ? 2.34046   17.82975  16.74723 0.760 41.15216 ? 101 FWQ E C8  1 
HETATM 1897 C C9  . FWQ H 3 .  ? 2.48865   19.20934  16.73881 0.760 37.45660 ? 101 FWQ E C9  1 
HETATM 1898 C C10 . FWQ H 3 .  ? 3.74358   19.78121  16.82089 0.760 34.14284 ? 101 FWQ E C10 1 
HETATM 1899 C C11 . FWQ H 3 .  ? 4.88097   18.98375  16.90531 0.760 43.51532 ? 101 FWQ E C11 1 
HETATM 1900 C C12 . FWQ H 3 .  ? 4.76737   17.59375  16.91272 0.760 45.93610 ? 101 FWQ E C12 1 
HETATM 1901 C C14 . FWQ H 3 .  ? 6.00479   16.70735  16.99497 0.760 35.87605 ? 101 FWQ E C14 1 
HETATM 1902 C C15 . FWQ H 3 .  ? 0.98259   13.49066  13.22682 0.760 24.69748 ? 101 FWQ E C15 1 
HETATM 1903 C C16 . FWQ H 3 .  ? 2.36701   13.34865  12.61765 0.760 38.42748 ? 101 FWQ E C16 1 
HETATM 1904 C C17 . FWQ H 3 .  ? 2.51656   13.30989  11.23510 0.760 35.36475 ? 101 FWQ E C17 1 
HETATM 1905 C C19 . FWQ H 3 .  ? 4.88506   12.93962  11.46618 0.760 34.52244 ? 101 FWQ E C19 1 
HETATM 1906 C C21 . FWQ H 3 .  ? 3.51159   13.20085  13.41858 0.760 31.08900 ? 101 FWQ E C21 1 
HETATM 1907 C C18 . FWQ H 3 .  ? 3.76486   13.10982  10.66710 0.760 38.34582 ? 101 FWQ E C18 1 
HETATM 1908 C C20 . FWQ H 3 .  ? 4.77564   12.98038  12.85591 0.760 33.14714 ? 101 FWQ E C20 1 
HETATM 1909 C C36 . FWQ H 3 .  ? 7.30738   12.56289  12.98038 0.760 44.91815 ? 101 FWQ E C36 1 
HETATM 1910 C C37 . FWQ H 3 .  ? 7.89005   11.29802  12.91549 0.760 41.12873 ? 101 FWQ E C37 1 
HETATM 1911 C C13 . FWQ H 3 .  ? 3.48870   17.03438  16.83911 0.760 46.32715 ? 101 FWQ E C13 1 
HETATM 1912 C C29 . FWQ H 3 .  ? 6.00164   12.76585  13.73105 0.760 30.97900 ? 101 FWQ E C29 1 
HETATM 1913 C C38 . FWQ H 3 .  ? 9.11115   11.11804  12.28191 0.760 47.04972 ? 101 FWQ E C38 1 
HETATM 1914 C C39 . FWQ H 3 .  ? 9.76678   12.19108  11.69821 0.760 48.81279 ? 101 FWQ E C39 1 
HETATM 1915 C C40 . FWQ H 3 .  ? 9.21130   13.46760  11.74225 0.760 48.26870 ? 101 FWQ E C40 1 
HETATM 1916 C C41 . FWQ H 3 .  ? 7.97764   13.63613  12.38182 0.760 48.84994 ? 101 FWQ E C41 1 
HETATM 1917 C C43 . FWQ H 3 .  ? 9.95528   14.64477  11.13853 0.760 44.67956 ? 101 FWQ E C43 1 
HETATM 1918 C C44 . FWQ H 3 .  ? 7.39696   17.32129  17.01990 0.760 36.05740 ? 101 FWQ E C44 1 
HETATM 1919 C C45 . FWQ H 3 .  ? 8.10920   17.56573  15.83814 0.760 40.99281 ? 101 FWQ E C45 1 
HETATM 1920 C C46 . FWQ H 3 .  ? 9.41669   18.06471  15.85971 0.760 34.43282 ? 101 FWQ E C46 1 
HETATM 1921 C C47 . FWQ H 3 .  ? 10.01659  18.29685  17.09414 0.760 38.07850 ? 101 FWQ E C47 1 
HETATM 1922 C C48 . FWQ H 3 .  ? 9.32515   18.05111  18.26860 0.760 36.88555 ? 101 FWQ E C48 1 
HETATM 1923 C C49 . FWQ H 3 .  ? 8.02285   17.58063  18.23520 0.760 34.51178 ? 101 FWQ E C49 1 
HETATM 1924 C C50 . FWQ H 3 .  ? 10.70811  15.42210  12.20268 0.760 39.77611 ? 101 FWQ E C50 1 
HETATM 1925 C C51 . FWQ H 3 .  ? 12.00817  15.05917  12.54821 0.760 47.84593 ? 101 FWQ E C51 1 
HETATM 1926 C C52 . FWQ H 3 .  ? 12.68762  15.74379  13.54294 0.760 46.02763 ? 101 FWQ E C52 1 
HETATM 1927 C C53 . FWQ H 3 .  ? 12.08508  16.79763  14.21081 0.760 40.08900 ? 101 FWQ E C53 1 
HETATM 1928 C C54 . FWQ H 3 .  ? 10.79249  17.19533  13.88221 0.760 49.05381 ? 101 FWQ E C54 1 
HETATM 1929 C C55 . FWQ H 3 .  ? 10.11492  16.49555  12.87718 0.760 35.99793 ? 101 FWQ E C55 1 
HETATM 1930 O O1  . FWQ H 3 .  ? 7.53538   17.27773  14.64235 0.760 33.87338 ? 101 FWQ E O1  1 
HETATM 1931 O O2  . FWQ H 3 .  ? 3.36438   15.68228  16.88584 0.760 44.65875 ? 101 FWQ E O2  1 
HETATM 1932 O O3  . FWQ H 3 .  ? 1.70011   14.61939  15.72191 0.760 42.75155 ? 101 FWQ E O3  1 
HETATM 1933 O O4  . FWQ H 3 .  ? 3.41329   13.31303  14.77798 0.760 31.89385 ? 101 FWQ E O4  1 
HETATM 1934 O O5  . FWQ H 3 .  ? 7.41411   14.87179  12.41969 0.760 46.54591 ? 101 FWQ E O5  1 
HETATM 1935 O O6  . FWQ H 3 .  ? 8.84927   16.86328  12.55152 0.760 42.65366 ? 101 FWQ E O6  1 
HETATM 1936 S S64 . FWQ H 3 .  ? 10.12756  18.30620  19.82694 0.760 45.50216 ? 101 FWQ E S64 1 
HETATM 1937 S S67 . FWQ H 3 .  ? 3.89478   21.54198  16.81396 0.760 37.51927 ? 101 FWQ E S67 1 
HETATM 1938 S S68 . FWQ H 3 .  ? -1.27426  18.08184  11.99007 0.760 48.81862 ? 101 FWQ E S68 1 
HETATM 1939 S S69 . FWQ H 3 .  ? 3.92723   13.07539  8.89684  0.760 42.51761 ? 101 FWQ E S69 1 
HETATM 1940 S S70 . FWQ H 3 .  ? 9.85080   9.50770   12.23536 0.760 42.83971 ? 101 FWQ E S70 1 
HETATM 1941 S S71 . FWQ H 3 .  ? 14.35173  15.28920  13.94306 0.760 54.50086 ? 101 FWQ E S71 1 
HETATM 1942 C C72 . FWQ H 3 .  ? 10.16283  18.38676  14.57691 0.760 35.42016 ? 101 FWQ E C72 1 
HETATM 1943 O O7  . FWQ H 3 .  ? 11.16336  19.29542  19.59107 0.760 52.94522 ? 101 FWQ E O7  1 
HETATM 1944 O O8  . FWQ H 3 .  ? 9.09864   18.78698  20.74081 0.760 48.20863 ? 101 FWQ E O8  1 
HETATM 1945 O O9  . FWQ H 3 .  ? 10.65912  17.01650  20.22637 0.760 49.21839 ? 101 FWQ E O9  1 
HETATM 1946 O O10 . FWQ H 3 .  ? 5.19319   21.83684  16.22632 0.760 42.96465 ? 101 FWQ E O10 1 
HETATM 1947 O O11 . FWQ H 3 .  ? 2.79047   22.03564  15.99839 0.760 34.62397 ? 101 FWQ E O11 1 
HETATM 1948 O O12 . FWQ H 3 .  ? 3.79433   21.96796  18.19749 0.760 35.90220 ? 101 FWQ E O12 1 
HETATM 1949 O O13 . FWQ H 3 .  ? -1.91969  19.10671  12.79897 0.760 58.21116 ? 101 FWQ E O13 1 
HETATM 1950 O O14 . FWQ H 3 .  ? -0.27970  18.63412  11.09152 0.760 54.91624 ? 101 FWQ E O14 1 
HETATM 1951 O O15 . FWQ H 3 .  ? -2.23387  17.22993  11.31203 0.760 63.39658 ? 101 FWQ E O15 1 
HETATM 1952 O O16 . FWQ H 3 .  ? 4.57864   14.31580  8.52150  0.760 48.55504 ? 101 FWQ E O16 1 
HETATM 1953 O O17 . FWQ H 3 .  ? 4.72784   11.90397  8.57901  0.760 47.18479 ? 101 FWQ E O17 1 
HETATM 1954 O O18 . FWQ H 3 .  ? 2.57240   12.97861  8.36760  0.760 50.77188 ? 101 FWQ E O18 1 
HETATM 1955 O O19 . FWQ H 3 .  ? 11.24991  9.71739   11.88855 0.760 50.54692 ? 101 FWQ E O19 1 
HETATM 1956 O O20 . FWQ H 3 .  ? 9.69397   8.94666   13.56669 0.760 44.95575 ? 101 FWQ E O20 1 
HETATM 1957 O O21 . FWQ H 3 .  ? 9.13654   8.75978   11.21822 0.760 39.14635 ? 101 FWQ E O21 1 
HETATM 1958 O O22 . FWQ H 3 .  ? 15.11836  15.45235  12.72262 0.760 56.89941 ? 101 FWQ E O22 1 
HETATM 1959 O O23 . FWQ H 3 .  ? 14.77649  16.18887  14.99616 0.760 44.12103 ? 101 FWQ E O23 1 
HETATM 1960 O O24 . FWQ H 3 .  ? 14.29565  13.90306  14.38795 0.760 55.31754 ? 101 FWQ E O24 1 
HETATM 1961 C C1  . NDG I 2 .  ? 13.35389  -4.07503  5.80421  0.720 30.57418 ? 101 NDG D C1  1 
HETATM 1962 C C2  . NDG I 2 .  ? 12.27973  -3.77974  6.88172  0.720 26.31127 ? 101 NDG D C2  1 
HETATM 1963 C C3  . NDG I 2 .  ? 12.42488  -2.33666  7.36878  0.720 18.90257 ? 101 NDG D C3  1 
HETATM 1964 C C4  . NDG I 2 .  ? 13.84823  -2.05970  7.84160  0.720 23.58542 ? 101 NDG D C4  1 
HETATM 1965 C C5  . NDG I 2 .  ? 14.85714  -2.43306  6.74549  0.720 28.41256 ? 101 NDG D C5  1 
HETATM 1966 C C6  . NDG I 2 .  ? 16.28996  -2.32993  7.28139  0.720 29.75476 ? 101 NDG D C6  1 
HETATM 1967 C C7  . NDG I 2 .  ? 10.30982  -5.22134  6.46915  0.720 23.09546 ? 101 NDG D C7  1 
HETATM 1968 C C8  . NDG I 2 .  ? 8.86878   -5.25861  5.97733  0.720 21.60792 ? 101 NDG D C8  1 
HETATM 1969 O O5  . NDG I 2 .  ? 14.65249  -3.78383  6.32527  0.720 25.60819 ? 101 NDG D O5  1 
HETATM 1970 O O3  . NDG I 2 .  ? 11.48400  -2.15173  8.41327  0.720 23.39703 ? 101 NDG D O3  1 
HETATM 1971 O O4  . NDG I 2 .  ? 13.89679  -0.67259  8.13565  0.720 25.88925 ? 101 NDG D O4  1 
HETATM 1972 O O6  . NDG I 2 .  ? 17.29264  -2.75710  6.34653  0.720 32.86269 ? 101 NDG D O6  1 
HETATM 1973 O O7  . NDG I 2 .  ? 10.89371  -6.23079  6.85370  0.720 23.53082 ? 101 NDG D O7  1 
HETATM 1974 N N2  . NDG I 2 .  ? 10.90547  -3.98841  6.44461  0.720 23.53913 ? 101 NDG D N2  1 
HETATM 1975 O O1  . NDG I 2 .  ? 13.05815  -3.33631  4.64295  0.720 30.35115 ? 101 NDG D O1  1 
HETATM 1976 C C1  . FWQ J 3 .  ? 15.83844  -21.76589 -0.24154 0.770 36.22727 ? 102 FWQ D C1  1 
HETATM 1977 C C2  . FWQ J 3 .  ? 16.03510  -20.40907 -0.48550 0.770 37.04996 ? 102 FWQ D C2  1 
HETATM 1978 C C3  . FWQ J 3 .  ? 15.07457  -19.50581 -0.01620 0.770 27.40491 ? 102 FWQ D C3  1 
HETATM 1979 C C4  . FWQ J 3 .  ? 13.95889  -19.93507 0.71334  0.770 29.44038 ? 102 FWQ D C4  1 
HETATM 1980 C C5  . FWQ J 3 .  ? 13.80208  -21.29177 0.94953  0.770 36.37354 ? 102 FWQ D C5  1 
HETATM 1981 C C6  . FWQ J 3 .  ? 14.72114  -22.19991 0.46123  0.770 53.11214 ? 102 FWQ D C6  1 
HETATM 1982 C C7  . FWQ J 3 .  ? 17.26828  -19.93334 -1.24995 0.770 26.74041 ? 102 FWQ D C7  1 
HETATM 1983 C C8  . FWQ J 3 .  ? 18.33949  -19.26982 -0.39181 0.770 27.59992 ? 102 FWQ D C8  1 
HETATM 1984 C C9  . FWQ J 3 .  ? 19.31724  -20.04542 0.23112  0.770 28.85703 ? 102 FWQ D C9  1 
HETATM 1985 C C10 . FWQ J 3 .  ? 20.30619  -19.45136 0.99618  0.770 29.10887 ? 102 FWQ D C10 1 
HETATM 1986 C C11 . FWQ J 3 .  ? 20.34994  -18.07299 1.14636  0.770 28.11218 ? 102 FWQ D C11 1 
HETATM 1987 C C12 . FWQ J 3 .  ? 19.39079  -17.26546 0.53717  0.770 24.51457 ? 102 FWQ D C12 1 
HETATM 1988 C C14 . FWQ J 3 .  ? 19.45265  -15.75541 0.69791  0.770 20.95202 ? 102 FWQ D C14 1 
HETATM 1989 C C15 . FWQ J 3 .  ? 12.91821  -18.95902 1.21108  0.770 26.49126 ? 102 FWQ D C15 1 
HETATM 1990 C C16 . FWQ J 3 .  ? 11.93088  -18.55977 0.13032  0.770 24.88589 ? 102 FWQ D C16 1 
HETATM 1991 C C17 . FWQ J 3 .  ? 11.88648  -19.24731 -1.08345 0.770 26.32381 ? 102 FWQ D C17 1 
HETATM 1992 C C19 . FWQ J 3 .  ? 10.14308  -17.79762 -1.87771 0.770 27.16084 ? 102 FWQ D C19 1 
HETATM 1993 C C21 . FWQ J 3 .  ? 11.06169  -17.49400 0.31695  0.770 21.73600 ? 102 FWQ D C21 1 
HETATM 1994 C C18 . FWQ J 3 .  ? 10.99356  -18.86442 -2.07458 0.770 26.25348 ? 102 FWQ D C18 1 
HETATM 1995 C C20 . FWQ J 3 .  ? 10.15743  -17.09736 -0.67868 0.770 22.51323 ? 102 FWQ D C20 1 
HETATM 1996 C C36 . FWQ J 3 .  ? 9.87122   -14.58591 -0.58078 0.770 20.99421 ? 102 FWQ D C36 1 
HETATM 1997 C C37 . FWQ J 3 .  ? 10.01045  -13.96353 -1.81781 0.770 19.63501 ? 102 FWQ D C37 1 
HETATM 1998 C C13 . FWQ J 3 .  ? 18.38431  -17.88132 -0.22382 0.770 22.90257 ? 102 FWQ D C13 1 
HETATM 1999 C C29 . FWQ J 3 .  ? 9.20319   -15.93878 -0.47291 0.770 25.75214 ? 102 FWQ D C29 1 
HETATM 2000 C C38 . FWQ J 3 .  ? 10.56778  -12.70014 -1.90680 0.770 22.42614 ? 102 FWQ D C38 1 
HETATM 2001 C C39 . FWQ J 3 .  ? 10.97538  -12.03433 -0.77013 0.770 24.33865 ? 102 FWQ D C39 1 
HETATM 2002 C C40 . FWQ J 3 .  ? 10.85559  -12.63412 0.47873  0.770 16.29237 ? 102 FWQ D C40 1 
HETATM 2003 C C41 . FWQ J 3 .  ? 10.32423  -13.91735 0.55039  0.770 20.57127 ? 102 FWQ D C41 1 
HETATM 2004 C C43 . FWQ J 3 .  ? 11.27641  -11.89119 1.72488  0.770 21.76436 ? 102 FWQ D C43 1 
HETATM 2005 C C44 . FWQ J 3 .  ? 18.76366  -15.29114 1.96951  0.770 23.41700 ? 102 FWQ D C44 1 
HETATM 2006 C C45 . FWQ J 3 .  ? 17.36807  -15.16086 2.04048  0.770 20.92575 ? 102 FWQ D C45 1 
HETATM 2007 C C46 . FWQ J 3 .  ? 16.73406  -14.73948 3.21440  0.770 22.21901 ? 102 FWQ D C46 1 
HETATM 2008 C C47 . FWQ J 3 .  ? 17.52186  -14.43264 4.32309  0.770 22.71721 ? 102 FWQ D C47 1 
HETATM 2009 C C48 . FWQ J 3 .  ? 18.89980  -14.54685 4.25949  0.770 26.41094 ? 102 FWQ D C48 1 
HETATM 2010 C C49 . FWQ J 3 .  ? 19.51769  -14.97918 3.09724  0.770 27.11573 ? 102 FWQ D C49 1 
HETATM 2011 C C50 . FWQ J 3 .  ? 12.75187  -12.02772 2.00053  0.770 20.12383 ? 102 FWQ D C50 1 
HETATM 2012 C C51 . FWQ J 3 .  ? 13.61345  -10.96802 1.73341  0.770 22.18159 ? 102 FWQ D C51 1 
HETATM 2013 C C52 . FWQ J 3 .  ? 14.96697  -11.08179 1.99377  0.770 26.69975 ? 102 FWQ D C52 1 
HETATM 2014 C C53 . FWQ J 3 .  ? 15.48813  -12.25917 2.51324  0.770 21.88971 ? 102 FWQ D C53 1 
HETATM 2015 C C54 . FWQ J 3 .  ? 14.65402  -13.34315 2.77609  0.770 20.15494 ? 102 FWQ D C54 1 
HETATM 2016 C C55 . FWQ J 3 .  ? 13.28934  -13.20639 2.52570  0.770 18.49103 ? 102 FWQ D C55 1 
HETATM 2017 O O1  . FWQ J 3 .  ? 16.60025  -15.42480 0.94349  0.770 20.78034 ? 102 FWQ D O1  1 
HETATM 2018 O O2  . FWQ J 3 .  ? 17.40872  -17.12300 -0.80634 0.770 23.08378 ? 102 FWQ D O2  1 
HETATM 2019 O O3  . FWQ J 3 .  ? 15.19331  -18.19315 -0.34071 0.770 27.52511 ? 102 FWQ D O3  1 
HETATM 2020 O O4  . FWQ J 3 .  ? 11.14686  -16.84432 1.50933  0.770 18.63760 ? 102 FWQ D O4  1 
HETATM 2021 O O5  . FWQ J 3 .  ? 10.30052  -14.55711 1.74556  0.770 21.09826 ? 102 FWQ D O5  1 
HETATM 2022 O O6  . FWQ J 3 .  ? 12.47698  -14.24932 2.80933  0.770 17.93976 ? 102 FWQ D O6  1 
HETATM 2023 S S64 . FWQ J 3 .  ? 19.88603  -14.11384 5.66640  0.770 40.07085 ? 102 FWQ D S64 1 
HETATM 2024 S S67 . FWQ J 3 .  ? 21.51156  -20.46938 1.81370  0.770 44.63947 ? 102 FWQ D S67 1 
HETATM 2025 S S68 . FWQ J 3 .  ? 14.44426  -23.93362 0.70166  0.770 56.83712 ? 102 FWQ D S68 1 
HETATM 2026 S S69 . FWQ J 3 .  ? 10.91270  -19.77348 -3.59305 0.770 36.67592 ? 102 FWQ D S69 1 
HETATM 2027 S S70 . FWQ J 3 .  ? 10.77721  -11.94136 -3.49107 0.770 32.32873 ? 102 FWQ D S70 1 
HETATM 2028 S S71 . FWQ J 3 .  ? 16.04617  -9.71407  1.66458  0.770 31.62793 ? 102 FWQ D S71 1 
HETATM 2029 C C72 . FWQ J 3 .  ? 15.22490  -14.64318 3.30412  0.770 19.83407 ? 102 FWQ D C72 1 
HETATM 2030 O O7  . FWQ J 3 .  ? 19.34678  -12.86814 6.17911  0.770 40.59847 ? 102 FWQ D O7  1 
HETATM 2031 O O8  . FWQ J 3 .  ? 19.74304  -15.20943 6.61078  0.770 35.85358 ? 102 FWQ D O8  1 
HETATM 2032 O O9  . FWQ J 3 .  ? 21.24645  -13.97546 5.18193  0.770 44.53669 ? 102 FWQ D O9  1 
HETATM 2033 O O10 . FWQ J 3 .  ? 21.13753  -21.84163 1.53668  0.770 43.12791 ? 102 FWQ D O10 1 
HETATM 2034 O O11 . FWQ J 3 .  ? 22.79908  -20.11807 1.23554  0.770 44.07713 ? 102 FWQ D O11 1 
HETATM 2035 O O12 . FWQ J 3 .  ? 21.43390  -20.13993 3.22111  0.770 43.81777 ? 102 FWQ D O12 1 
HETATM 2036 O O13 . FWQ J 3 .  ? 15.35286  -24.33603 1.75831  0.770 33.73279 ? 102 FWQ D O13 1 
HETATM 2037 O O14 . FWQ J 3 .  ? 13.05134  -24.07584 1.08739  0.770 53.71430 ? 102 FWQ D O14 1 
HETATM 2038 O O15 . FWQ J 3 .  ? 14.73837  -24.57525 -0.57274 0.770 48.17378 ? 102 FWQ D O15 1 
HETATM 2039 O O16 . FWQ J 3 .  ? 11.13114  -21.15839 -3.23419 0.770 28.89852 ? 102 FWQ D O16 1 
HETATM 2040 O O17 . FWQ J 3 .  ? 9.59166   -19.53122 -4.13552 0.770 46.53701 ? 102 FWQ D O17 1 
HETATM 2041 O O18 . FWQ J 3 .  ? 11.96176  -19.23343 -4.43747 0.770 32.00680 ? 102 FWQ D O18 1 
HETATM 2042 O O19 . FWQ J 3 .  ? 11.94458  -11.07998 -3.37819 0.770 34.47204 ? 102 FWQ D O19 1 
HETATM 2043 O O20 . FWQ J 3 .  ? 10.97727  -13.02489 -4.42817 0.770 39.32116 ? 102 FWQ D O20 1 
HETATM 2044 O O21 . FWQ J 3 .  ? 9.56202   -11.19387 -3.74783 0.770 31.93665 ? 102 FWQ D O21 1 
HETATM 2045 O O22 . FWQ J 3 .  ? 17.27329  -9.99017  2.37984  0.770 35.09125 ? 102 FWQ D O22 1 
HETATM 2046 O O23 . FWQ J 3 .  ? 16.22628  -9.67354  0.22927  0.770 34.23560 ? 102 FWQ D O23 1 
HETATM 2047 O O24 . FWQ J 3 .  ? 15.37388  -8.53425  2.16770  0.770 30.21103 ? 102 FWQ D O24 1 
HETATM 2048 C C1  . FWQ K 3 .  ? 25.35456  -10.88732 11.10350 0.800 30.43237 ? 103 FWQ D C1  1 
HETATM 2049 C C2  . FWQ K 3 .  ? 25.47039  -9.89982  12.07553 0.800 28.43089 ? 103 FWQ D C2  1 
HETATM 2050 C C3  . FWQ K 3 .  ? 24.79691  -10.07380 13.28867 0.800 25.02203 ? 103 FWQ D C3  1 
HETATM 2051 C C4  . FWQ K 3 .  ? 24.00572  -11.20117 13.53725 0.800 23.17738 ? 103 FWQ D C4  1 
HETATM 2052 C C5  . FWQ K 3 .  ? 23.91339  -12.17650 12.54422 0.800 25.94592 ? 103 FWQ D C5  1 
HETATM 2053 C C6  . FWQ K 3 .  ? 24.58977  -12.01727 11.33602 0.800 30.75846 ? 103 FWQ D C6  1 
HETATM 2054 C C7  . FWQ K 3 .  ? 26.32605  -8.67596  11.81951 0.800 28.00236 ? 103 FWQ D C7  1 
HETATM 2055 C C8  . FWQ K 3 .  ? 25.50530  -7.40484  11.71908 0.800 32.26454 ? 103 FWQ D C8  1 
HETATM 2056 C C9  . FWQ K 3 .  ? 24.87378  -7.07970  10.52349 0.800 39.48109 ? 103 FWQ D C9  1 
HETATM 2057 C C10 . FWQ K 3 .  ? 24.14480  -5.91255  10.41129 0.800 33.36040 ? 103 FWQ D C10 1 
HETATM 2058 C C11 . FWQ K 3 .  ? 24.04096  -5.03875  11.47810 0.800 36.45572 ? 103 FWQ D C11 1 
HETATM 2059 C C12 . FWQ K 3 .  ? 24.65822  -5.32892  12.69078 0.800 35.23769 ? 103 FWQ D C12 1 
HETATM 2060 C C14 . FWQ K 3 .  ? 24.57110  -4.34835  13.84576 0.800 41.09732 ? 103 FWQ D C14 1 
HETATM 2061 C C15 . FWQ K 3 .  ? 23.25660  -11.36139 14.84743 0.800 27.43300 ? 103 FWQ D C15 1 
HETATM 2062 C C16 . FWQ K 3 .  ? 22.09836  -12.33668 14.78637 0.800 32.57136 ? 103 FWQ D C16 1 
HETATM 2063 C C17 . FWQ K 3 .  ? 22.24680  -13.62777 15.27447 0.800 29.45381 ? 103 FWQ D C17 1 
HETATM 2064 C C19 . FWQ K 3 .  ? 19.96143  -14.13220 14.73419 0.800 29.15062 ? 103 FWQ D C19 1 
HETATM 2065 C C21 . FWQ K 3 .  ? 20.85683  -11.96054 14.26578 0.800 23.12442 ? 103 FWQ D C21 1 
HETATM 2066 C C18 . FWQ K 3 .  ? 21.18671  -14.51515 15.24534 0.800 35.48519 ? 103 FWQ D C18 1 
HETATM 2067 C C20 . FWQ K 3 .  ? 19.77401  -12.84874 14.23931 0.800 25.82047 ? 103 FWQ D C20 1 
HETATM 2068 C C36 . FWQ K 3 .  ? 17.55284  -11.71466 14.72797 0.800 24.14834 ? 103 FWQ D C36 1 
HETATM 2069 C C37 . FWQ K 3 .  ? 16.73160  -12.44097 15.59284 0.800 26.74518 ? 103 FWQ D C37 1 
HETATM 2070 C C13 . FWQ K 3 .  ? 25.37518  -6.52369  12.80215 0.800 31.02390 ? 103 FWQ D C13 1 
HETATM 2071 C C29 . FWQ K 3 .  ? 18.41184  -12.43262 13.69635 0.800 23.69995 ? 103 FWQ D C29 1 
HETATM 2072 C C38 . FWQ K 3 .  ? 15.96389  -11.78763 16.54843 0.800 24.71780 ? 103 FWQ D C38 1 
HETATM 2073 C C39 . FWQ K 3 .  ? 15.99804  -10.40326 16.65191 0.800 25.25571 ? 103 FWQ D C39 1 
HETATM 2074 C C40 . FWQ K 3 .  ? 16.80832  -9.65024  15.80020 0.800 28.06833 ? 103 FWQ D C40 1 
HETATM 2075 C C41 . FWQ K 3 .  ? 17.57467  -10.32129 14.84532 0.800 26.32841 ? 103 FWQ D C41 1 
HETATM 2076 C C43 . FWQ K 3 .  ? 16.87280  -8.13948  15.93836 0.800 29.22961 ? 103 FWQ D C43 1 
HETATM 2077 C C44 . FWQ K 3 .  ? 23.31035  -4.51118  14.67119 0.800 43.99454 ? 103 FWQ D C44 1 
HETATM 2078 C C45 . FWQ K 3 .  ? 23.10154  -5.64298  15.46024 0.800 39.00671 ? 103 FWQ D C45 1 
HETATM 2079 C C46 . FWQ K 3 .  ? 21.95585  -5.78871  16.24597 0.800 39.66408 ? 103 FWQ D C46 1 
HETATM 2080 C C47 . FWQ K 3 .  ? 21.01075  -4.76786  16.23705 0.800 38.90972 ? 103 FWQ D C47 1 
HETATM 2081 C C48 . FWQ K 3 .  ? 21.19649  -3.64515  15.44843 0.800 49.08072 ? 103 FWQ D C48 1 
HETATM 2082 C C49 . FWQ K 3 .  ? 22.33669  -3.51364  14.67076 0.800 49.26796 ? 103 FWQ D C49 1 
HETATM 2083 C C50 . FWQ K 3 .  ? 17.94411  -7.72441  16.93705 0.800 31.28363 ? 103 FWQ D C50 1 
HETATM 2084 C C51 . FWQ K 3 .  ? 17.60689  -7.50591  18.26854 0.800 31.05458 ? 103 FWQ D C51 1 
HETATM 2085 C C52 . FWQ K 3 .  ? 18.57453  -7.13879  19.18720 0.800 37.82608 ? 103 FWQ D C52 1 
HETATM 2086 C C53 . FWQ K 3 .  ? 19.89380  -6.98685  18.80120 0.800 39.10903 ? 103 FWQ D C53 1 
HETATM 2087 C C54 . FWQ K 3 .  ? 20.27156  -7.19579  17.48188 0.800 29.20628 ? 103 FWQ D C54 1 
HETATM 2088 C C55 . FWQ K 3 .  ? 19.28803  -7.56105  16.55449 0.800 31.08561 ? 103 FWQ D C55 1 
HETATM 2089 O O1  . FWQ K 3 .  ? 24.03273  -6.62949  15.47320 0.800 37.57305 ? 103 FWQ D O1  1 
HETATM 2090 O O2  . FWQ K 3 .  ? 25.91073  -6.83972  14.01478 0.800 30.94034 ? 103 FWQ D O2  1 
HETATM 2091 O O3  . FWQ K 3 .  ? 24.94438  -9.13814  14.26201 0.800 27.23048 ? 103 FWQ D O3  1 
HETATM 2092 O O4  . FWQ K 3 .  ? 20.71981  -10.70531 13.78584 0.800 23.89403 ? 103 FWQ D O4  1 
HETATM 2093 O O5  . FWQ K 3 .  ? 18.36059  -9.59934  14.00785 0.800 31.63629 ? 103 FWQ D O5  1 
HETATM 2094 O O6  . FWQ K 3 .  ? 19.65858  -7.75101  15.25876 0.800 26.66629 ? 103 FWQ D O6  1 
HETATM 2095 S S64 . FWQ K 3 .  ? 19.94269  -2.38707  15.40370 0.800 55.23052 ? 103 FWQ D S64 1 
HETATM 2096 S S67 . FWQ K 3 .  ? 23.31383  -5.54513  8.89456  0.800 54.10825 ? 103 FWQ D S67 1 
HETATM 2097 S S68 . FWQ K 3 .  ? 24.47044  -13.26254 10.07855 0.800 34.95926 ? 103 FWQ D S68 1 
HETATM 2098 S S69 . FWQ K 3 .  ? 21.39887  -16.15239 15.87391 0.800 41.01943 ? 103 FWQ D S69 1 
HETATM 2099 S S70 . FWQ K 3 .  ? 14.95695  -12.72923 17.66880 0.800 29.75698 ? 103 FWQ D S70 1 
HETATM 2100 S S71 . FWQ K 3 .  ? 18.12036  -6.84765  20.86768 0.800 46.25083 ? 103 FWQ D S71 1 
HETATM 2101 C C72 . FWQ K 3 .  ? 21.72348  -7.03604  17.07362 0.800 34.72297 ? 103 FWQ D C72 1 
HETATM 2102 O O7  . FWQ K 3 .  ? 20.62145  -1.13445  15.13524 0.800 46.93357 ? 103 FWQ D O7  1 
HETATM 2103 O O8  . FWQ K 3 .  ? 19.03516  -2.76602  14.32836 0.800 57.29104 ? 103 FWQ D O8  1 
HETATM 2104 O O9  . FWQ K 3 .  ? 19.29907  -2.40940  16.70290 0.800 57.25868 ? 103 FWQ D O9  1 
HETATM 2105 O O10 . FWQ K 3 .  ? 22.92179  -4.15425  8.97677  0.800 56.43905 ? 103 FWQ D O10 1 
HETATM 2106 O O11 . FWQ K 3 .  ? 24.28209  -5.78192  7.83500  0.800 44.81339 ? 103 FWQ D O11 1 
HETATM 2107 O O12 . FWQ K 3 .  ? 22.18179  -6.45055  8.82634  0.800 52.76493 ? 103 FWQ D O12 1 
HETATM 2108 O O13 . FWQ K 3 .  ? 24.46513  -14.54545 10.76366 0.800 33.44516 ? 103 FWQ D O13 1 
HETATM 2109 O O14 . FWQ K 3 .  ? 23.22973  -13.00924 9.37204  0.800 38.34930 ? 103 FWQ D O14 1 
HETATM 2110 O O15 . FWQ K 3 .  ? 25.63854  -13.09881 9.22627  0.800 40.02400 ? 103 FWQ D O15 1 
HETATM 2111 O O16 . FWQ K 3 .  ? 21.60328  -16.01262 17.30328 0.800 42.09872 ? 103 FWQ D O16 1 
HETATM 2112 O O17 . FWQ K 3 .  ? 20.18367  -16.87690 15.54622 0.800 49.66077 ? 103 FWQ D O17 1 
HETATM 2113 O O18 . FWQ K 3 .  ? 22.56749  -16.69603 15.19334 0.800 53.11090 ? 103 FWQ D O18 1 
HETATM 2114 O O19 . FWQ K 3 .  ? 13.97184  -11.79680 18.20732 0.800 30.20496 ? 103 FWQ D O19 1 
HETATM 2115 O O20 . FWQ K 3 .  ? 14.35684  -13.79101 16.88778 0.800 25.85810 ? 103 FWQ D O20 1 
HETATM 2116 O O21 . FWQ K 3 .  ? 15.85480  -13.23036 18.70152 0.800 34.92403 ? 103 FWQ D O21 1 
HETATM 2117 O O22 . FWQ K 3 .  ? 19.26243  -6.20746  21.48973 0.800 54.19676 ? 103 FWQ D O22 1 
HETATM 2118 O O23 . FWQ K 3 .  ? 16.94883  -5.99217  20.82676 0.800 44.65526 ? 103 FWQ D O23 1 
HETATM 2119 O O24 . FWQ K 3 .  ? 17.83664  -8.15696  21.43981 0.800 43.64936 ? 103 FWQ D O24 1 
HETATM 2120 C C1  . FWQ L 3 .  ? -3.31980  -5.81163  0.51472  0.510 19.92918 ? 104 FWQ D C1  1 
HETATM 2121 C C2  . FWQ L 3 .  ? -4.22546  -5.11660  1.30303  0.510 18.65753 ? 104 FWQ D C2  1 
HETATM 2122 C C3  . FWQ L 3 .  ? -5.59881  -5.35076  1.11277  0.510 20.74882 ? 104 FWQ D C3  1 
HETATM 2123 C C4  . FWQ L 3 .  ? -6.05748  -6.26377  0.17479  0.510 17.23689 ? 104 FWQ D C4  1 
HETATM 2124 C C5  . FWQ L 3 .  ? -5.11908  -6.95865  -0.58879 0.510 20.84164 ? 104 FWQ D C5  1 
HETATM 2125 C C6  . FWQ L 3 .  ? -3.76015  -6.72936  -0.41256 0.510 18.30665 ? 104 FWQ D C6  1 
HETATM 2126 C C7  . FWQ L 3 .  ? -3.72420  -4.15885  2.35884  0.510 21.70825 ? 104 FWQ D C7  1 
HETATM 2127 C C8  . FWQ L 3 .  ? -3.92411  -2.74392  1.89290  0.510 20.38835 ? 104 FWQ D C8  1 
HETATM 2128 C C9  . FWQ L 3 .  ? -2.89537  -2.06641  1.24572  0.510 31.05286 ? 104 FWQ D C9  1 
HETATM 2129 C C10 . FWQ L 3 .  ? -3.09497  -0.78661  0.76344  0.510 24.31899 ? 104 FWQ D C10 1 
HETATM 2130 C C11 . FWQ L 3 .  ? -4.32544  -0.16998  0.90719  0.510 31.21433 ? 104 FWQ D C11 1 
HETATM 2131 C C12 . FWQ L 3 .  ? -5.36571  -0.81797  1.57176  0.510 27.54909 ? 104 FWQ D C12 1 
HETATM 2132 C C14 . FWQ L 3 .  ? -6.67440  -0.10476  1.82168  0.510 34.42426 ? 104 FWQ D C14 1 
HETATM 2133 C C15 . FWQ L 3 .  ? -7.54343  -6.50236  -0.01946 0.510 23.86714 ? 104 FWQ D C15 1 
HETATM 2134 C C16 . FWQ L 3 .  ? -7.87259  -7.43975  -1.15326 0.510 24.01924 ? 104 FWQ D C16 1 
HETATM 2135 C C17 . FWQ L 3 .  ? -8.23657  -8.75464  -0.88753 0.510 24.70281 ? 104 FWQ D C17 1 
HETATM 2136 C C19 . FWQ L 3 .  ? -8.54525  -9.17270  -3.23714 0.510 27.33119 ? 104 FWQ D C19 1 
HETATM 2137 C C21 . FWQ L 3 .  ? -7.84390  -7.00835  -2.48063 0.510 26.73814 ? 104 FWQ D C21 1 
HETATM 2138 C C18 . FWQ L 3 .  ? -8.57130  -9.61240  -1.91957 0.510 29.23019 ? 104 FWQ D C18 1 
HETATM 2139 C C20 . FWQ L 3 .  ? -8.17683  -7.86127  -3.53653 0.510 25.00055 ? 104 FWQ D C20 1 
HETATM 2140 C C36 . FWQ L 3 .  ? -9.37206  -6.63982  -5.41643 0.510 29.20167 ? 104 FWQ D C36 1 
HETATM 2141 C C37 . FWQ L 3 .  ? -10.41703 -7.32418  -6.02985 0.510 28.74975 ? 104 FWQ D C37 1 
HETATM 2142 C C13 . FWQ L 3 .  ? -5.14404  -2.10168  2.05518  0.510 26.20605 ? 104 FWQ D C13 1 
HETATM 2143 C C29 . FWQ L 3 .  ? -8.12459  -7.38879  -4.97894 0.510 26.36823 ? 104 FWQ D C29 1 
HETATM 2144 C C38 . FWQ L 3 .  ? -11.54483 -6.64519  -6.45899 0.510 23.62936 ? 104 FWQ D C38 1 
HETATM 2145 C C39 . FWQ L 3 .  ? -11.65399 -5.27757  -6.28673 0.510 28.17891 ? 104 FWQ D C39 1 
HETATM 2146 C C40 . FWQ L 3 .  ? -10.63113 -4.55815  -5.68048 0.510 26.65722 ? 104 FWQ D C40 1 
HETATM 2147 C C41 . FWQ L 3 .  ? -9.49574  -5.25332  -5.24016 0.510 25.76913 ? 104 FWQ D C41 1 
HETATM 2148 C C43 . FWQ L 3 .  ? -10.74397 -3.05234  -5.54380 0.510 26.60387 ? 104 FWQ D C43 1 
HETATM 2149 C C44 . FWQ L 3 .  ? -7.63083  -0.12499  0.66459  0.510 34.56223 ? 104 FWQ D C44 1 
HETATM 2150 C C45 . FWQ L 3 .  ? -8.56620  -1.14595  0.52493  0.510 35.28995 ? 104 FWQ D C45 1 
HETATM 2151 C C46 . FWQ L 3 .  ? -9.52161  -1.13363  -0.47561 0.510 29.99437 ? 104 FWQ D C46 1 
HETATM 2152 C C47 . FWQ L 3 .  ? -9.52437  -0.06418  -1.37912 0.510 36.49649 ? 104 FWQ D C47 1 
HETATM 2153 C C48 . FWQ L 3 .  ? -8.57206  0.94837   -1.26912 0.510 30.46866 ? 104 FWQ D C48 1 
HETATM 2154 C C49 . FWQ L 3 .  ? -7.63839  0.91651   -0.25031 0.510 36.54404 ? 104 FWQ D C49 1 
HETATM 2155 C C50 . FWQ L 3 .  ? -11.40028 -2.62833  -4.24859 0.510 32.85226 ? 104 FWQ D C50 1 
HETATM 2156 C C51 . FWQ L 3 .  ? -12.74266 -2.25637  -4.22200 0.510 33.48702 ? 104 FWQ D C51 1 
HETATM 2157 C C52 . FWQ L 3 .  ? -13.33906 -1.87052  -3.03160 0.510 35.53962 ? 104 FWQ D C52 1 
HETATM 2158 C C53 . FWQ L 3 .  ? -12.61862 -1.85289  -1.86809 0.510 30.49203 ? 104 FWQ D C53 1 
HETATM 2159 C C54 . FWQ L 3 .  ? -11.28916 -2.22271  -1.86051 0.510 30.47029 ? 104 FWQ D C54 1 
HETATM 2160 C C55 . FWQ L 3 .  ? -10.68836 -2.60190  -3.06090 0.510 29.22334 ? 104 FWQ D C55 1 
HETATM 2161 O O1  . FWQ L 3 .  ? -8.54862  -2.18924  1.38900  0.510 24.82816 ? 104 FWQ D O1  1 
HETATM 2162 O O2  . FWQ L 3 .  ? -6.14141  -2.72499  2.72288  0.510 30.24540 ? 104 FWQ D O2  1 
HETATM 2163 O O3  . FWQ L 3 .  ? -6.54129  -4.69184  1.83788  0.510 20.83184 ? 104 FWQ D O3  1 
HETATM 2164 O O4  . FWQ L 3 .  ? -7.46484  -5.72647  -2.73470 0.510 21.24301 ? 104 FWQ D O4  1 
HETATM 2165 O O5  . FWQ L 3 .  ? -8.49614  -4.56972  -4.61949 0.510 25.18025 ? 104 FWQ D O5  1 
HETATM 2166 O O6  . FWQ L 3 .  ? -9.37363  -2.94821  -3.07487 0.510 30.66529 ? 104 FWQ D O6  1 
HETATM 2167 S S64 . FWQ L 3 .  ? -8.50759  2.25823   -2.46171 0.510 47.91923 ? 104 FWQ D S64 1 
HETATM 2168 S S67 . FWQ L 3 .  ? -1.74846  0.09443   0.02051  0.510 27.34650 ? 104 FWQ D S67 1 
HETATM 2169 S S68 . FWQ L 3 .  ? -2.57767  -7.62781  -1.37573 0.510 20.88607 ? 104 FWQ D S68 1 
HETATM 2170 S S69 . FWQ L 3 .  ? -9.03837  -11.28379 -1.55019 0.510 35.51019 ? 104 FWQ D S69 1 
HETATM 2171 S S70 . FWQ L 3 .  ? -12.85219 -7.53073  -7.25050 0.510 38.81264 ? 104 FWQ D S70 1 
HETATM 2172 S S71 . FWQ L 3 .  ? -15.04320 -1.40447  -2.99902 0.510 52.97858 ? 104 FWQ D S71 1 
HETATM 2173 C C72 . FWQ L 3 .  ? -10.53594 -2.24311  -0.57690 0.510 34.30617 ? 104 FWQ D C72 1 
HETATM 2174 O O7  . FWQ L 3 .  ? -7.11241  2.65750   -2.53703 0.510 33.40142 ? 104 FWQ D O7  1 
HETATM 2175 O O8  . FWQ L 3 .  ? -8.98967  1.69576   -3.71236 0.510 36.72800 ? 104 FWQ D O8  1 
HETATM 2176 O O9  . FWQ L 3 .  ? -9.36682  3.31503   -1.95932 0.510 40.57985 ? 104 FWQ D O9  1 
HETATM 2177 O O10 . FWQ L 3 .  ? -2.21477  1.45615   -0.19392 0.510 26.83007 ? 104 FWQ D O10 1 
HETATM 2178 O O11 . FWQ L 3 .  ? -0.66278  0.02751   0.97466  0.510 27.40605 ? 104 FWQ D O11 1 
HETATM 2179 O O12 . FWQ L 3 .  ? -1.44153  -0.59804  -1.21555 0.510 23.41665 ? 104 FWQ D O12 1 
HETATM 2180 O O13 . FWQ L 3 .  ? -1.27248  -7.13825  -0.97147 0.510 24.82599 ? 104 FWQ D O13 1 
HETATM 2181 O O14 . FWQ L 3 .  ? -2.76563  -9.02983  -1.06214 0.510 22.90163 ? 104 FWQ D O14 1 
HETATM 2182 O O15 . FWQ L 3 .  ? -2.87607  -7.32999  -2.76858 0.510 22.69587 ? 104 FWQ D O15 1 
HETATM 2183 O O16 . FWQ L 3 .  ? -8.48257  -11.58270 -0.24023 0.510 27.35034 ? 104 FWQ D O16 1 
HETATM 2184 O O17 . FWQ L 3 .  ? -10.48841 -11.31404 -1.56260 0.510 37.04094 ? 104 FWQ D O17 1 
HETATM 2185 O O18 . FWQ L 3 .  ? -8.45625  -12.10951 -2.59781 0.510 40.11797 ? 104 FWQ D O18 1 
HETATM 2186 O O19 . FWQ L 3 .  ? -13.81937 -6.52706  -7.67199 0.510 39.17166 ? 104 FWQ D O19 1 
HETATM 2187 O O20 . FWQ L 3 .  ? -12.24950 -8.22332  -8.37362 0.510 36.83472 ? 104 FWQ D O20 1 
HETATM 2188 O O21 . FWQ L 3 .  ? -13.39035 -8.43767  -6.25469 0.510 38.99262 ? 104 FWQ D O21 1 
HETATM 2189 O O22 . FWQ L 3 .  ? -15.76652 -2.55020  -2.48356 0.510 34.74104 ? 104 FWQ D O22 1 
HETATM 2190 O O23 . FWQ L 3 .  ? -15.13103 -0.24921  -2.12156 0.510 48.28758 ? 104 FWQ D O23 1 
HETATM 2191 O O24 . FWQ L 3 .  ? -15.40054 -1.08770  -4.37434 0.510 36.69357 ? 104 FWQ D O24 1 
HETATM 2192 C C1  . NDG M 2 .  ? -1.86517  -23.72232 0.88879  0.750 35.97547 ? 101 NDG C C1  1 
HETATM 2193 C C2  . NDG M 2 .  ? -1.56238  -22.73576 2.04157  0.750 28.48844 ? 101 NDG C C2  1 
HETATM 2194 C C3  . NDG M 2 .  ? -0.11624  -22.25222 1.93401  0.750 32.51771 ? 101 NDG C C3  1 
HETATM 2195 C C4  . NDG M 2 .  ? 0.85472   -23.42851 1.84086  0.750 33.02141 ? 101 NDG C C4  1 
HETATM 2196 C C5  . NDG M 2 .  ? 0.42470   -24.31719 0.66734  0.750 36.80747 ? 101 NDG C C5  1 
HETATM 2197 C C6  . NDG M 2 .  ? 1.29452   -25.56444 0.50354  0.750 39.43914 ? 101 NDG C C6  1 
HETATM 2198 C C7  . NDG M 2 .  ? -3.56242  -21.50338 2.84358  0.750 25.76836 ? 101 NDG C C7  1 
HETATM 2199 C C8  . NDG M 2 .  ? -4.33489  -20.19406 2.73862  0.750 26.86060 ? 101 NDG C C8  1 
HETATM 2200 O O5  . NDG M 2 .  ? -0.90305  -24.77328 0.92716  0.750 31.04061 ? 101 NDG C O5  1 
HETATM 2201 O O3  . NDG M 2 .  ? 0.13558   -21.45627 3.08112  0.750 28.39447 ? 101 NDG C O3  1 
HETATM 2202 O O4  . NDG M 2 .  ? 2.15950   -22.89164 1.65796  0.750 26.77489 ? 101 NDG C O4  1 
HETATM 2203 O O6  . NDG M 2 .  ? 1.21688   -26.41012 1.65661  0.750 48.47538 ? 101 NDG C O6  1 
HETATM 2204 O O7  . NDG M 2 .  ? -3.93500  -22.42508 3.55906  0.750 27.54018 ? 101 NDG C O7  1 
HETATM 2205 N N2  . NDG M 2 .  ? -2.43107  -21.56828 2.07923  0.750 28.03805 ? 101 NDG C N2  1 
HETATM 2206 O O1  . NDG M 2 .  ? -1.82306  -23.02117 -0.33079 0.750 33.36106 ? 101 NDG C O1  1 
HETATM 2207 O O   . HOH N 4 .  ? -18.04053 -2.48273  28.88958 1.000 33.66995 ? 201 HOH A O   1 
HETATM 2208 O O   . HOH N 4 .  ? -22.73378 7.59836   26.71429 1.000 35.61255 ? 202 HOH A O   1 
HETATM 2209 O O   . HOH N 4 .  ? -10.58061 -4.77938  14.11115 1.000 18.94843 ? 203 HOH A O   1 
HETATM 2210 O O   . HOH N 4 .  ? -19.56027 -5.14797  25.52720 1.000 26.13717 ? 204 HOH A O   1 
HETATM 2211 O O   . HOH N 4 .  ? -9.50299  -0.55279  8.78640  1.000 37.60793 ? 205 HOH A O   1 
HETATM 2212 O O   . HOH N 4 .  ? -14.50976 14.25648  19.97576 1.000 46.64220 ? 206 HOH A O   1 
HETATM 2213 O O   . HOH N 4 .  ? -7.97790  -8.53254  29.59599 1.000 31.50109 ? 207 HOH A O   1 
HETATM 2214 O O   . HOH N 4 .  ? -4.39427  4.82802   26.17474 1.000 25.18959 ? 208 HOH A O   1 
HETATM 2215 O O   . HOH N 4 .  ? -4.62844  0.41675   26.51561 1.000 28.01454 ? 209 HOH A O   1 
HETATM 2216 O O   . HOH N 4 .  ? -13.72744 -5.96761  27.12907 1.000 37.50419 ? 210 HOH A O   1 
HETATM 2217 O O   . HOH N 4 .  ? -23.73382 5.31768   28.38078 1.000 39.09899 ? 211 HOH A O   1 
HETATM 2218 O O   . HOH N 4 .  ? -5.84798  7.86468   29.41547 1.000 25.39319 ? 212 HOH A O   1 
HETATM 2219 O O   . HOH N 4 .  ? -5.12949  -9.95281  27.16576 1.000 34.55798 ? 213 HOH A O   1 
HETATM 2220 O O   . HOH N 4 .  ? -6.75407  0.92419   28.15577 1.000 42.53201 ? 214 HOH A O   1 
HETATM 2221 O O   . HOH N 4 .  ? -10.35402 6.49770   29.89501 1.000 32.38900 ? 215 HOH A O   1 
HETATM 2222 O O   . HOH N 4 .  ? -12.48518 13.02983  26.02126 1.000 41.33807 ? 216 HOH A O   1 
HETATM 2223 O O   . HOH N 4 .  ? -9.10628  -6.48783  18.61667 1.000 19.26523 ? 217 HOH A O   1 
HETATM 2224 O O   . HOH N 4 .  ? -5.94518  -6.99560  22.26800 1.000 28.31031 ? 218 HOH A O   1 
HETATM 2225 O O   . HOH N 4 .  ? -14.60488 3.86318   29.72135 1.000 31.48873 ? 219 HOH A O   1 
HETATM 2226 O O   . HOH N 4 .  ? -9.43669  -2.26785  13.26263 1.000 18.77422 ? 220 HOH A O   1 
HETATM 2227 O O   . HOH N 4 .  ? -16.40793 13.66875  15.21334 1.000 45.79420 ? 221 HOH A O   1 
HETATM 2228 O O   . HOH N 4 .  ? -8.76136  -6.02636  15.78393 1.000 19.31714 ? 222 HOH A O   1 
HETATM 2229 O O   . HOH N 4 .  ? -10.14249 3.85511   29.10206 1.000 34.11385 ? 223 HOH A O   1 
HETATM 2230 O O   . HOH N 4 .  ? -9.07529  -2.58676  10.54039 1.000 19.72388 ? 224 HOH A O   1 
HETATM 2231 O O   . HOH O 4 .  ? -18.18731 -14.15502 25.16800 1.000 39.53417 ? 201 HOH B O   1 
HETATM 2232 O O   . HOH O 4 .  ? -9.94204  -8.64275  12.23722 1.000 21.30019 ? 202 HOH B O   1 
HETATM 2233 O O   . HOH O 4 .  ? -28.81406 -10.29575 16.70567 1.000 37.89944 ? 203 HOH B O   1 
HETATM 2234 O O   . HOH O 4 .  ? -11.90945 -3.98081  7.82367  1.000 36.81739 ? 204 HOH B O   1 
HETATM 2235 O O   . HOH O 4 .  ? -15.36176 -20.91996 17.61054 1.000 28.28497 ? 205 HOH B O   1 
HETATM 2236 O O   . HOH O 4 .  ? -13.29585 -17.33248 22.21219 1.000 39.34183 ? 206 HOH B O   1 
HETATM 2237 O O   . HOH O 4 .  ? -25.15354 -14.80688 21.41583 1.000 39.55237 ? 207 HOH B O   1 
HETATM 2238 O O   . HOH O 4 .  ? -9.75348  -15.05060 27.12472 1.000 33.25908 ? 208 HOH B O   1 
HETATM 2239 O O   . HOH O 4 .  ? -16.08051 -25.14041 17.38276 1.000 40.48572 ? 209 HOH B O   1 
HETATM 2240 O O   . HOH O 4 .  ? -20.96643 -1.74618  8.31384  1.000 35.20653 ? 210 HOH B O   1 
HETATM 2241 O O   . HOH O 4 .  ? -6.74788  -12.88133 27.13373 1.000 35.46144 ? 211 HOH B O   1 
HETATM 2242 O O   . HOH O 4 .  ? -28.72230 -18.48257 15.89474 1.000 33.30959 ? 212 HOH B O   1 
HETATM 2243 O O   . HOH O 4 .  ? -21.37898 -4.24197  6.69370  1.000 38.27599 ? 213 HOH B O   1 
HETATM 2244 O O   . HOH O 4 .  ? -8.15929  -9.15596  21.76179 1.000 29.57301 ? 214 HOH B O   1 
HETATM 2245 O O   . HOH O 4 .  ? -22.93638 -14.91805 22.99633 1.000 30.30200 ? 215 HOH B O   1 
HETATM 2246 O O   . HOH O 4 .  ? -8.99880  -10.13507 17.01466 1.000 19.01521 ? 216 HOH B O   1 
HETATM 2247 O O   . HOH O 4 .  ? -11.46084 -6.43125  12.01942 1.000 18.13921 ? 217 HOH B O   1 
HETATM 2248 O O   . HOH O 4 .  ? -18.52958 -5.52058  28.26355 1.000 41.28625 ? 218 HOH B O   1 
HETATM 2249 O O   . HOH O 4 .  ? -8.54155  -8.52760  14.71621 1.000 18.97329 ? 219 HOH B O   1 
HETATM 2250 O O   . HOH O 4 .  ? -10.54952 -17.17922 25.82265 1.000 40.56509 ? 220 HOH B O   1 
HETATM 2251 O O   . HOH O 4 .  ? -10.38533 -5.01306  9.78613  1.000 19.35093 ? 221 HOH B O   1 
HETATM 2252 O O   . HOH P 4 .  ? 5.85903   10.60372  6.80534  1.000 50.70631 ? 201 HOH E O   1 
HETATM 2253 O O   . HOH P 4 .  ? 6.462     1.839     -0.179   1.000 31.25656 ? 202 HOH E O   1 
HETATM 2254 O O   . HOH P 4 .  ? -6.82793  -2.68167  14.16578 1.000 19.13747 ? 203 HOH E O   1 
HETATM 2255 O O   . HOH P 4 .  ? 7.17131   6.56494   2.56566  1.000 37.68858 ? 204 HOH E O   1 
HETATM 2256 O O   . HOH P 4 .  ? 8.54195   9.23653   16.27037 1.000 39.86650 ? 205 HOH E O   1 
HETATM 2257 O O   . HOH P 4 .  ? -1.56783  12.67724  28.19244 1.000 30.81027 ? 206 HOH E O   1 
HETATM 2258 O O   . HOH P 4 .  ? 3.586     -2.787    28.435   1.000 36.35961 ? 207 HOH E O   1 
HETATM 2259 O O   . HOH P 4 .  ? 5.66332   -0.16546  2.03910  1.000 24.90478 ? 208 HOH E O   1 
HETATM 2260 O O   . HOH P 4 .  ? 5.27841   -6.32431  21.36264 1.000 31.64053 ? 209 HOH E O   1 
HETATM 2261 O O   . HOH P 4 .  ? -7.07873  11.67382  29.61707 1.000 31.07309 ? 210 HOH E O   1 
HETATM 2262 O O   . HOH P 4 .  ? -3.12369  -7.91233  21.28451 1.000 37.18314 ? 211 HOH E O   1 
HETATM 2263 O O   . HOH P 4 .  ? 8.99088   -4.44133  18.93185 1.000 30.02796 ? 212 HOH E O   1 
HETATM 2264 O O   . HOH P 4 .  ? -6.40762  -1.53455  7.48341  1.000 33.03003 ? 213 HOH E O   1 
HETATM 2265 O O   . HOH P 4 .  ? 4.81395   13.41208  22.18486 1.000 36.56007 ? 214 HOH E O   1 
HETATM 2266 O O   . HOH P 4 .  ? 1.756     2.741     5.202    1.000 25.55363 ? 215 HOH E O   1 
HETATM 2267 O O   . HOH P 4 .  ? -2.42609  -9.81594  27.72729 1.000 30.12173 ? 216 HOH E O   1 
HETATM 2268 O O   . HOH P 4 .  ? 12.47957  6.23000   16.86638 1.000 34.53779 ? 217 HOH E O   1 
HETATM 2269 O O   . HOH P 4 .  ? 6.80806   6.57520   23.41628 1.000 22.43901 ? 218 HOH E O   1 
HETATM 2270 O O   . HOH P 4 .  ? 8.67612   1.26728   1.46496  1.000 34.81558 ? 219 HOH E O   1 
HETATM 2271 O O   . HOH P 4 .  ? -4.92801  -2.66430  12.12248 1.000 17.15704 ? 220 HOH E O   1 
HETATM 2272 O O   . HOH P 4 .  ? -5.46916  -4.85321  18.48901 1.000 21.75839 ? 221 HOH E O   1 
HETATM 2273 O O   . HOH P 4 .  ? -6.42933  -2.96079  9.71130  1.000 19.54194 ? 222 HOH E O   1 
HETATM 2274 O O   . HOH P 4 .  ? -6.35815  -4.78787  15.87121 1.000 20.31592 ? 223 HOH E O   1 
HETATM 2275 O O   . HOH P 4 .  ? -1.23479  -12.04635 28.10713 1.000 31.06667 ? 224 HOH E O   1 
HETATM 2276 O O   . HOH Q 4 .  ? -11.241   -8.362    -10.333  1.000 37.38754 ? 201 HOH D O   1 
HETATM 2277 O O   . HOH Q 4 .  ? 3.32907   -18.61120 18.55773 1.000 39.17105 ? 202 HOH D O   1 
HETATM 2278 O O   . HOH Q 4 .  ? -6.64824  -18.95524 -0.21325 1.000 34.08516 ? 203 HOH D O   1 
HETATM 2279 O O   . HOH Q 4 .  ? -6.630    -2.966    5.170    1.000 36.87909 ? 204 HOH D O   1 
HETATM 2280 O O   . HOH Q 4 .  ? 11.92538  -3.35234  10.57801 1.000 28.24644 ? 205 HOH D O   1 
HETATM 2281 O O   . HOH Q 4 .  ? 27.841    -14.258   9.588    1.000 40.33730 ? 206 HOH D O   1 
HETATM 2282 O O   . HOH Q 4 .  ? 17.54520  -8.47721  11.89180 1.000 28.91585 ? 207 HOH D O   1 
HETATM 2283 O O   . HOH Q 4 .  ? 7.16753   -18.64786 -4.11932 1.000 40.04919 ? 208 HOH D O   1 
HETATM 2284 O O   . HOH Q 4 .  ? 3.267     -5.765    -1.393   1.000 31.30475 ? 209 HOH D O   1 
HETATM 2285 O O   . HOH Q 4 .  ? 7.39975   -12.32293 19.87395 1.000 34.40646 ? 210 HOH D O   1 
HETATM 2286 O O   . HOH Q 4 .  ? 7.45488   -11.36564 0.63520  1.000 27.30277 ? 211 HOH D O   1 
HETATM 2287 O O   . HOH Q 4 .  ? 1.08399   -7.69286  0.49091  1.000 24.14257 ? 212 HOH D O   1 
HETATM 2288 O O   . HOH Q 4 .  ? 18.48337  -5.39158  13.93250 1.000 37.92410 ? 213 HOH D O   1 
HETATM 2289 O O   . HOH Q 4 .  ? 12.51698  -15.07900 5.86253  1.000 28.43963 ? 214 HOH D O   1 
HETATM 2290 O O   . HOH Q 4 .  ? -3.91631  -5.14416  12.44058 1.000 15.01783 ? 215 HOH D O   1 
HETATM 2291 O O   . HOH Q 4 .  ? -2.20416  -13.01201 25.69962 1.000 34.74062 ? 216 HOH D O   1 
HETATM 2292 O O   . HOH Q 4 .  ? 6.98145   -4.39489  0.88772  1.000 35.25831 ? 217 HOH D O   1 
HETATM 2293 O O   . HOH Q 4 .  ? -6.10385  -5.30852  5.87394  1.000 23.33083 ? 218 HOH D O   1 
HETATM 2294 O O   . HOH Q 4 .  ? 7.48456   -14.72683 19.56888 1.000 33.65642 ? 219 HOH D O   1 
HETATM 2295 O O   . HOH Q 4 .  ? 17.16288  -9.80800  9.43933  1.000 28.21418 ? 220 HOH D O   1 
HETATM 2296 O O   . HOH Q 4 .  ? 1.22188   -18.04781 17.63272 1.000 38.28784 ? 221 HOH D O   1 
HETATM 2297 O O   . HOH Q 4 .  ? -3.63876  -11.23179 19.91366 1.000 29.89424 ? 222 HOH D O   1 
HETATM 2298 O O   . HOH Q 4 .  ? 2.02068   -12.89880 25.68450 1.000 27.78649 ? 223 HOH D O   1 
HETATM 2299 O O   . HOH Q 4 .  ? 12.18068  -17.14593 4.16793  1.000 27.12366 ? 224 HOH D O   1 
HETATM 2300 O O   . HOH Q 4 .  ? 11.47892  -14.49054 15.31793 1.000 27.89769 ? 225 HOH D O   1 
HETATM 2301 O O   . HOH Q 4 .  ? 11.39134  -18.94681 6.58778  1.000 30.79267 ? 226 HOH D O   1 
HETATM 2302 O O   . HOH Q 4 .  ? 18.60550  -6.81099  9.80549  1.000 32.86733 ? 227 HOH D O   1 
HETATM 2303 O O   . HOH Q 4 .  ? 5.45330   -8.87882  21.53832 1.000 27.84982 ? 228 HOH D O   1 
HETATM 2304 O O   . HOH Q 4 .  ? 13.47206  -13.99366 13.34376 1.000 35.91963 ? 229 HOH D O   1 
HETATM 2305 O O   . HOH Q 4 .  ? -2.94607  -7.46542  16.87155 1.000 19.04128 ? 230 HOH D O   1 
HETATM 2306 O O   . HOH Q 4 .  ? 24.75014  -8.63420  17.53620 1.000 32.87297 ? 231 HOH D O   1 
HETATM 2307 O O   . HOH Q 4 .  ? 14.91477  -16.71481 6.80652  1.000 42.06574 ? 232 HOH D O   1 
HETATM 2308 O O   . HOH Q 4 .  ? -4.19560  -6.84080  10.12938 1.000 16.35786 ? 233 HOH D O   1 
HETATM 2309 O O   . HOH Q 4 .  ? 19.22230  -6.58976  5.31957  1.000 41.66026 ? 234 HOH D O   1 
HETATM 2310 O O   . HOH Q 4 .  ? -0.31505  -17.46621 20.60943 1.000 34.70651 ? 235 HOH D O   1 
HETATM 2311 O O   . HOH Q 4 .  ? 2.13626   -22.23003 16.18627 1.000 40.00441 ? 236 HOH D O   1 
HETATM 2312 O O   . HOH Q 4 .  ? -4.58753  -6.52402  14.77620 1.000 17.29378 ? 237 HOH D O   1 
HETATM 2313 O O   . HOH Q 4 .  ? -6.17300  -5.51641  8.63957  1.000 19.80211 ? 238 HOH D O   1 
HETATM 2314 O O   . HOH Q 4 .  ? 15.19650  -18.16532 4.32622  1.000 44.61951 ? 239 HOH D O   1 
HETATM 2315 O O   . HOH R 4 .  ? 0.49724   -22.53128 5.61086  1.000 29.35716 ? 201 HOH C O   1 
HETATM 2316 O O   . HOH R 4 .  ? -21.51464 -19.38239 11.81752 1.000 28.43340 ? 202 HOH C O   1 
HETATM 2317 O O   . HOH R 4 .  ? -11.03995 -20.87338 19.96193 1.000 46.55485 ? 203 HOH C O   1 
HETATM 2318 O O   . HOH R 4 .  ? -5.61180  -8.85324  11.22105 1.000 17.42084 ? 204 HOH C O   1 
HETATM 2319 O O   . HOH R 4 .  ? 2.45187   -20.54946 13.91845 1.000 30.71351 ? 205 HOH C O   1 
HETATM 2320 O O   . HOH R 4 .  ? -3.47184  -18.04310 24.56248 1.000 35.64174 ? 206 HOH C O   1 
HETATM 2321 O O   . HOH R 4 .  ? -1.24779  -19.48937 18.55961 1.000 29.69237 ? 207 HOH C O   1 
HETATM 2322 O O   . HOH R 4 .  ? -11.84497 -13.78976 0.71271  1.000 40.25050 ? 208 HOH C O   1 
HETATM 2323 O O   . HOH R 4 .  ? 0.07794   -24.16412 15.59873 1.000 44.24179 ? 209 HOH C O   1 
HETATM 2324 O O   . HOH R 4 .  ? -9.69853  -6.64435  6.36575  1.000 33.44087 ? 210 HOH C O   1 
HETATM 2325 O O   . HOH R 4 .  ? -11.30413 -26.87806 5.46657  1.000 31.34557 ? 211 HOH C O   1 
HETATM 2326 O O   . HOH R 4 .  ? -6.98598  -27.64633 11.74978 1.000 32.40436 ? 212 HOH C O   1 
HETATM 2327 O O   . HOH R 4 .  ? -11.46678 -23.54812 19.09478 1.000 42.85648 ? 213 HOH C O   1 
HETATM 2328 O O   . HOH R 4 .  ? -4.67511  -14.21613 25.64677 1.000 32.24373 ? 214 HOH C O   1 
HETATM 2329 O O   . HOH R 4 .  ? -20.34475 -11.96028 2.74582  1.000 35.30736 ? 215 HOH C O   1 
HETATM 2330 O O   . HOH R 4 .  ? -3.74738  -29.70859 5.36665  1.000 38.36714 ? 216 HOH C O   1 
HETATM 2331 O O   . HOH R 4 .  ? -6.56672  -12.13681 20.28955 1.000 29.74921 ? 217 HOH C O   1 
HETATM 2332 O O   . HOH R 4 .  ? -14.51587 -13.43036 1.83974  1.000 31.70559 ? 218 HOH C O   1 
HETATM 2333 O O   . HOH R 4 .  ? -6.80688  -26.79575 14.48255 1.000 32.80135 ? 219 HOH C O   1 
HETATM 2334 O O   . HOH R 4 .  ? -14.95248 -28.13826 8.68137  1.000 48.96906 ? 220 HOH C O   1 
HETATM 2335 O O   . HOH R 4 .  ? -5.12832  -10.83016 15.90409 1.000 19.91396 ? 221 HOH C O   1 
HETATM 2336 O O   . HOH R 4 .  ? -0.88070  -29.97601 4.52795  1.000 43.13743 ? 222 HOH C O   1 
HETATM 2337 O O   . HOH R 4 .  ? -8.26276  -9.16518  10.10511 1.000 18.44437 ? 223 HOH C O   1 
HETATM 2338 O O   . HOH R 4 .  ? -15.41729 -21.61810 20.49397 1.000 38.84477 ? 224 HOH C O   1 
HETATM 2339 O O   . HOH R 4 .  ? -5.88099  -8.86609  14.02148 1.000 19.15011 ? 225 HOH C O   1 
HETATM 2340 O O   . HOH R 4 .  ? -1.34045  -18.87353 22.76622 1.000 37.07405 ? 226 HOH C O   1 
HETATM 2341 O O   . HOH R 4 .  ? -8.63407  -6.71448  8.75514  1.000 22.91353 ? 227 HOH C O   1 
# 
