data_9HBE
# 
_entry.id   9HBE 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_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   9HBE         pdb_00009hbe 10.2210/pdb9hbe/pdb 
WWPDB D_1292142995 ?            ?                   
# 
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 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-04-16 ? 
2 'Structure model' 1 1 2025-05-28 ? 
# 
_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' 
3 2 'Structure model' '_citation_author.name'             
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9HBE 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-06 
_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 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          6Z5G 
_pdbx_database_related.content_type   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 
'Mockler, N.M.' 1 0000-0003-3392-9564 
'Crowley, P.B.' 2 0000-0002-5365-0096 
# 
_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                   GE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Chemistry 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           0947-6539 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            31 
_citation.language                  ? 
_citation.page_first                e202500732 
_citation.page_last                 e202500732 
_citation.title                     'Making and Breaking Supramolecular Synthons for Modular Protein Frameworks.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/chem.202500732 
_citation.pdbx_database_id_PubMed   40178192 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Mockler, N.M.' 1 ?                   
primary 'Raston, C.L.'  2 0000-0003-4753-0079 
primary 'Crowley, P.B.' 3 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 'Fucose-binding lectin protein' 9733.562 2   ? ? ? ? 
2 non-polymer syn beta-D-fructopyranose           180.156  4   ? ? ? ? 
3 non-polymer syn 'phosphonato-calix[6]arene'     1116.611 4   ? ? ? ? 
4 non-polymer syn GLYCEROL                        92.094   2   ? ? ? ? 
5 water       nat water                           18.015   272 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Putative fucose-binding lectin protein' 
# 
_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       
;SSVQTAATSWGTVPSIRVYTANNGKITERCWDGKGWYTGAFNEPGDNVSVTSWLVGSAIHIRVYASTGTTTTEWCWDGNG
WTKGAYTATN
;
_entity_poly.pdbx_seq_one_letter_code_can   
;SSVQTAATSWGTVPSIRVYTANNGKITERCWDGKGWYTGAFNEPGDNVSVTSWLVGSAIHIRVYASTGTTTTEWCWDGNG
WTKGAYTATN
;
_entity_poly.pdbx_strand_id                 A,B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 beta-D-fructopyranose       BDF 
3 'phosphonato-calix[6]arene' 7AZ 
4 GLYCEROL                    GOL 
5 water                       HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  SER n 
1 2  SER n 
1 3  VAL n 
1 4  GLN n 
1 5  THR n 
1 6  ALA n 
1 7  ALA n 
1 8  THR n 
1 9  SER n 
1 10 TRP n 
1 11 GLY n 
1 12 THR n 
1 13 VAL n 
1 14 PRO n 
1 15 SER n 
1 16 ILE n 
1 17 ARG n 
1 18 VAL n 
1 19 TYR n 
1 20 THR n 
1 21 ALA n 
1 22 ASN n 
1 23 ASN n 
1 24 GLY n 
1 25 LYS n 
1 26 ILE n 
1 27 THR n 
1 28 GLU n 
1 29 ARG n 
1 30 CYS n 
1 31 TRP n 
1 32 ASP n 
1 33 GLY n 
1 34 LYS n 
1 35 GLY n 
1 36 TRP n 
1 37 TYR n 
1 38 THR n 
1 39 GLY n 
1 40 ALA n 
1 41 PHE n 
1 42 ASN n 
1 43 GLU n 
1 44 PRO n 
1 45 GLY n 
1 46 ASP n 
1 47 ASN n 
1 48 VAL n 
1 49 SER n 
1 50 VAL n 
1 51 THR n 
1 52 SER n 
1 53 TRP n 
1 54 LEU n 
1 55 VAL n 
1 56 GLY n 
1 57 SER n 
1 58 ALA n 
1 59 ILE n 
1 60 HIS n 
1 61 ILE n 
1 62 ARG n 
1 63 VAL n 
1 64 TYR n 
1 65 ALA n 
1 66 SER n 
1 67 THR n 
1 68 GLY n 
1 69 THR n 
1 70 THR n 
1 71 THR n 
1 72 THR n 
1 73 GLU n 
1 74 TRP n 
1 75 CYS n 
1 76 TRP n 
1 77 ASP n 
1 78 GLY n 
1 79 ASN n 
1 80 GLY n 
1 81 TRP n 
1 82 THR n 
1 83 LYS n 
1 84 GLY n 
1 85 ALA n 
1 86 TYR n 
1 87 THR n 
1 88 ALA n 
1 89 THR n 
1 90 ASN 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                   90 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'E7Z57_08365, RSP795_21825, RSP822_19650, RUN39_v1_50103' 
_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      'Ralstonia solanacearum' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     305 
_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' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_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 
7AZ non-polymer                  . 'phosphonato-calix[6]arene' ?                                       'C42 H42 O24 P6' 1116.611 
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  
BDF 'D-saccharide, beta linking' . beta-D-fructopyranose       'beta-D-fructose; D-fructose; fructose' 'C6 H12 O6'      180.156  
CYS 'L-peptide linking'          y CYSTEINE                    ?                                       'C3 H7 N O2 S'   121.158  
GLN 'L-peptide linking'          y GLUTAMINE                   ?                                       'C5 H10 N2 O3'   146.144  
GLU 'L-peptide linking'          y 'GLUTAMIC ACID'             ?                                       'C5 H9 N O4'     147.129  
GLY 'peptide linking'            y GLYCINE                     ?                                       'C2 H5 N O2'     75.067   
GOL non-polymer                  . GLYCEROL                    'GLYCERIN; PROPANE-1,2,3-TRIOL'         'C3 H8 O3'       92.094   
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  
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 
BDF 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DFrupb             
BDF 'COMMON NAME'                         GMML     1.0 b-D-fructopyranose 
BDF 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 b-D-Frup           
BDF 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 Fru                
# 
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  SER 1  1  1  SER SER A . n 
A 1 2  SER 2  2  2  SER SER A . n 
A 1 3  VAL 3  3  3  VAL VAL A . n 
A 1 4  GLN 4  4  4  GLN GLN A . n 
A 1 5  THR 5  5  5  THR THR A . n 
A 1 6  ALA 6  6  6  ALA ALA A . n 
A 1 7  ALA 7  7  7  ALA ALA A . n 
A 1 8  THR 8  8  8  THR THR A . n 
A 1 9  SER 9  9  9  SER SER A . n 
A 1 10 TRP 10 10 10 TRP TRP A . n 
A 1 11 GLY 11 11 11 GLY GLY A . n 
A 1 12 THR 12 12 12 THR THR A . n 
A 1 13 VAL 13 13 13 VAL VAL A . n 
A 1 14 PRO 14 14 14 PRO PRO A . n 
A 1 15 SER 15 15 15 SER SER A . n 
A 1 16 ILE 16 16 16 ILE ILE A . n 
A 1 17 ARG 17 17 17 ARG ARG A . n 
A 1 18 VAL 18 18 18 VAL VAL A . n 
A 1 19 TYR 19 19 19 TYR TYR A . n 
A 1 20 THR 20 20 20 THR THR A . n 
A 1 21 ALA 21 21 21 ALA ALA A . n 
A 1 22 ASN 22 22 22 ASN ASN A . n 
A 1 23 ASN 23 23 23 ASN ASN A . n 
A 1 24 GLY 24 24 24 GLY GLY A . n 
A 1 25 LYS 25 25 25 LYS LYS A . n 
A 1 26 ILE 26 26 26 ILE ILE A . n 
A 1 27 THR 27 27 27 THR THR A . n 
A 1 28 GLU 28 28 28 GLU GLU A . n 
A 1 29 ARG 29 29 29 ARG ARG A . n 
A 1 30 CYS 30 30 30 CYS CYS A . n 
A 1 31 TRP 31 31 31 TRP TRP A . n 
A 1 32 ASP 32 32 32 ASP ASP A . n 
A 1 33 GLY 33 33 33 GLY GLY A . n 
A 1 34 LYS 34 34 34 LYS LYS A . n 
A 1 35 GLY 35 35 35 GLY GLY A . n 
A 1 36 TRP 36 36 36 TRP TRP A . n 
A 1 37 TYR 37 37 37 TYR TYR A . n 
A 1 38 THR 38 38 38 THR THR A . n 
A 1 39 GLY 39 39 39 GLY GLY A . n 
A 1 40 ALA 40 40 40 ALA ALA A . n 
A 1 41 PHE 41 41 41 PHE PHE A . n 
A 1 42 ASN 42 42 42 ASN ASN A . n 
A 1 43 GLU 43 43 43 GLU GLU A . n 
A 1 44 PRO 44 44 44 PRO PRO A . n 
A 1 45 GLY 45 45 45 GLY GLY A . n 
A 1 46 ASP 46 46 46 ASP ASP A . n 
A 1 47 ASN 47 47 47 ASN ASN A . n 
A 1 48 VAL 48 48 48 VAL VAL A . n 
A 1 49 SER 49 49 49 SER SER A . n 
A 1 50 VAL 50 50 50 VAL VAL A . n 
A 1 51 THR 51 51 51 THR THR A . n 
A 1 52 SER 52 52 52 SER SER A . n 
A 1 53 TRP 53 53 53 TRP TRP A . n 
A 1 54 LEU 54 54 54 LEU LEU A . n 
A 1 55 VAL 55 55 55 VAL VAL A . n 
A 1 56 GLY 56 56 56 GLY GLY A . n 
A 1 57 SER 57 57 57 SER SER A . n 
A 1 58 ALA 58 58 58 ALA ALA A . n 
A 1 59 ILE 59 59 59 ILE ILE A . n 
A 1 60 HIS 60 60 60 HIS HIS A . n 
A 1 61 ILE 61 61 61 ILE ILE A . n 
A 1 62 ARG 62 62 62 ARG ARG A . n 
A 1 63 VAL 63 63 63 VAL VAL A . n 
A 1 64 TYR 64 64 64 TYR TYR A . n 
A 1 65 ALA 65 65 65 ALA ALA A . n 
A 1 66 SER 66 66 66 SER SER A . n 
A 1 67 THR 67 67 67 THR THR A . n 
A 1 68 GLY 68 68 68 GLY GLY A . n 
A 1 69 THR 69 69 69 THR THR A . n 
A 1 70 THR 70 70 70 THR THR A . n 
A 1 71 THR 71 71 71 THR THR A . n 
A 1 72 THR 72 72 72 THR THR A . n 
A 1 73 GLU 73 73 73 GLU GLU A . n 
A 1 74 TRP 74 74 74 TRP TRP A . n 
A 1 75 CYS 75 75 75 CYS CYS A . n 
A 1 76 TRP 76 76 76 TRP TRP A . n 
A 1 77 ASP 77 77 77 ASP ASP A . n 
A 1 78 GLY 78 78 78 GLY GLY A . n 
A 1 79 ASN 79 79 79 ASN ASN A . n 
A 1 80 GLY 80 80 80 GLY GLY A . n 
A 1 81 TRP 81 81 81 TRP TRP A . n 
A 1 82 THR 82 82 82 THR THR A . n 
A 1 83 LYS 83 83 83 LYS LYS A . n 
A 1 84 GLY 84 84 84 GLY GLY A . n 
A 1 85 ALA 85 85 85 ALA ALA A . n 
A 1 86 TYR 86 86 86 TYR TYR A . n 
A 1 87 THR 87 87 87 THR THR A . n 
A 1 88 ALA 88 88 88 ALA ALA A . n 
A 1 89 THR 89 89 89 THR THR A . n 
A 1 90 ASN 90 90 90 ASN ASN A . n 
B 1 1  SER 1  1  1  SER SER B . n 
B 1 2  SER 2  2  2  SER SER B . n 
B 1 3  VAL 3  3  3  VAL VAL B . n 
B 1 4  GLN 4  4  4  GLN GLN B . n 
B 1 5  THR 5  5  5  THR THR B . n 
B 1 6  ALA 6  6  6  ALA ALA B . n 
B 1 7  ALA 7  7  7  ALA ALA B . n 
B 1 8  THR 8  8  8  THR THR B . n 
B 1 9  SER 9  9  9  SER SER B . n 
B 1 10 TRP 10 10 10 TRP TRP B . n 
B 1 11 GLY 11 11 11 GLY GLY B . n 
B 1 12 THR 12 12 12 THR THR B . n 
B 1 13 VAL 13 13 13 VAL VAL B . n 
B 1 14 PRO 14 14 14 PRO PRO B . n 
B 1 15 SER 15 15 15 SER SER B . n 
B 1 16 ILE 16 16 16 ILE ILE B . n 
B 1 17 ARG 17 17 17 ARG ARG B . n 
B 1 18 VAL 18 18 18 VAL VAL B . n 
B 1 19 TYR 19 19 19 TYR TYR B . n 
B 1 20 THR 20 20 20 THR THR B . n 
B 1 21 ALA 21 21 21 ALA ALA B . n 
B 1 22 ASN 22 22 22 ASN ASN B . n 
B 1 23 ASN 23 23 23 ASN ASN B . n 
B 1 24 GLY 24 24 24 GLY GLY B . n 
B 1 25 LYS 25 25 25 LYS LYS B . n 
B 1 26 ILE 26 26 26 ILE ILE B . n 
B 1 27 THR 27 27 27 THR THR B . n 
B 1 28 GLU 28 28 28 GLU GLU B . n 
B 1 29 ARG 29 29 29 ARG ARG B . n 
B 1 30 CYS 30 30 30 CYS CYS B . n 
B 1 31 TRP 31 31 31 TRP TRP B . n 
B 1 32 ASP 32 32 32 ASP ASP B . n 
B 1 33 GLY 33 33 33 GLY GLY B . n 
B 1 34 LYS 34 34 34 LYS LYS B . n 
B 1 35 GLY 35 35 35 GLY GLY B . n 
B 1 36 TRP 36 36 36 TRP TRP B . n 
B 1 37 TYR 37 37 37 TYR TYR B . n 
B 1 38 THR 38 38 38 THR THR B . n 
B 1 39 GLY 39 39 39 GLY GLY B . n 
B 1 40 ALA 40 40 40 ALA ALA B . n 
B 1 41 PHE 41 41 41 PHE PHE B . n 
B 1 42 ASN 42 42 42 ASN ASN B . n 
B 1 43 GLU 43 43 43 GLU GLU B . n 
B 1 44 PRO 44 44 44 PRO PRO B . n 
B 1 45 GLY 45 45 45 GLY GLY B . n 
B 1 46 ASP 46 46 46 ASP ASP B . n 
B 1 47 ASN 47 47 47 ASN ASN B . n 
B 1 48 VAL 48 48 48 VAL VAL B . n 
B 1 49 SER 49 49 49 SER SER B . n 
B 1 50 VAL 50 50 50 VAL VAL B . n 
B 1 51 THR 51 51 51 THR THR B . n 
B 1 52 SER 52 52 52 SER SER B . n 
B 1 53 TRP 53 53 53 TRP TRP B . n 
B 1 54 LEU 54 54 54 LEU LEU B . n 
B 1 55 VAL 55 55 55 VAL VAL B . n 
B 1 56 GLY 56 56 56 GLY GLY B . n 
B 1 57 SER 57 57 57 SER SER B . n 
B 1 58 ALA 58 58 58 ALA ALA B . n 
B 1 59 ILE 59 59 59 ILE ILE B . n 
B 1 60 HIS 60 60 60 HIS HIS B . n 
B 1 61 ILE 61 61 61 ILE ILE B . n 
B 1 62 ARG 62 62 62 ARG ARG B . n 
B 1 63 VAL 63 63 63 VAL VAL B . n 
B 1 64 TYR 64 64 64 TYR TYR B . n 
B 1 65 ALA 65 65 65 ALA ALA B . n 
B 1 66 SER 66 66 66 SER SER B . n 
B 1 67 THR 67 67 67 THR THR B . n 
B 1 68 GLY 68 68 68 GLY GLY B . n 
B 1 69 THR 69 69 69 THR THR B . n 
B 1 70 THR 70 70 70 THR THR B . n 
B 1 71 THR 71 71 71 THR THR B . n 
B 1 72 THR 72 72 72 THR THR B . n 
B 1 73 GLU 73 73 73 GLU GLU B . n 
B 1 74 TRP 74 74 74 TRP TRP B . n 
B 1 75 CYS 75 75 75 CYS CYS B . n 
B 1 76 TRP 76 76 76 TRP TRP B . n 
B 1 77 ASP 77 77 77 ASP ASP B . n 
B 1 78 GLY 78 78 78 GLY GLY B . n 
B 1 79 ASN 79 79 79 ASN ASN B . n 
B 1 80 GLY 80 80 80 GLY GLY B . n 
B 1 81 TRP 81 81 81 TRP TRP B . n 
B 1 82 THR 82 82 82 THR THR B . n 
B 1 83 LYS 83 83 83 LYS LYS B . n 
B 1 84 GLY 84 84 84 GLY GLY B . n 
B 1 85 ALA 85 85 85 ALA ALA B . n 
B 1 86 TYR 86 86 86 TYR TYR B . n 
B 1 87 THR 87 87 87 THR THR B . n 
B 1 88 ALA 88 88 88 ALA ALA B . n 
B 1 89 THR 89 89 89 THR THR B . n 
B 1 90 ASN 90 90 90 ASN ASN B . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 7AZ ? ? 7AZ ? ? 'SUBJECT OF INVESTIGATION' ? 
2 BDF ? ? BDF ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
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 
C 2 BDF 1   101 101 BDF BDF A . 
D 2 BDF 1   102 201 BDF BDF A . 
E 3 7AZ 1   103 301 7AZ 7AZ A . 
F 3 7AZ 1   104 401 7AZ 7AZ A . 
G 4 GOL 1   105 501 GOL GOL A . 
H 2 BDF 1   201 201 BDF BDF B . 
I 3 7AZ 1   202 401 7AZ 7AZ B . 
J 3 7AZ 1   203 501 7AZ 7AZ B . 
K 2 BDF 1   204 601 BDF BDF B . 
L 4 GOL 1   205 701 GOL GOL B . 
M 5 HOH 1   201 150 HOH HOH A . 
M 5 HOH 2   202 160 HOH HOH A . 
M 5 HOH 3   203 149 HOH HOH A . 
M 5 HOH 4   204 266 HOH HOH A . 
M 5 HOH 5   205 176 HOH HOH A . 
M 5 HOH 6   206 206 HOH HOH A . 
M 5 HOH 7   207 158 HOH HOH A . 
M 5 HOH 8   208 4   HOH HOH A . 
M 5 HOH 9   209 148 HOH HOH A . 
M 5 HOH 10  210 229 HOH HOH A . 
M 5 HOH 11  211 119 HOH HOH A . 
M 5 HOH 12  212 241 HOH HOH A . 
M 5 HOH 13  213 187 HOH HOH A . 
M 5 HOH 14  214 271 HOH HOH A . 
M 5 HOH 15  215 248 HOH HOH A . 
M 5 HOH 16  216 21  HOH HOH A . 
M 5 HOH 17  217 156 HOH HOH A . 
M 5 HOH 18  218 256 HOH HOH A . 
M 5 HOH 19  219 56  HOH HOH A . 
M 5 HOH 20  220 100 HOH HOH A . 
M 5 HOH 21  221 42  HOH HOH A . 
M 5 HOH 22  222 57  HOH HOH A . 
M 5 HOH 23  223 41  HOH HOH A . 
M 5 HOH 24  224 2   HOH HOH A . 
M 5 HOH 25  225 29  HOH HOH A . 
M 5 HOH 26  226 217 HOH HOH A . 
M 5 HOH 27  227 20  HOH HOH A . 
M 5 HOH 28  228 234 HOH HOH A . 
M 5 HOH 29  229 137 HOH HOH A . 
M 5 HOH 30  230 202 HOH HOH A . 
M 5 HOH 31  231 104 HOH HOH A . 
M 5 HOH 32  232 136 HOH HOH A . 
M 5 HOH 33  233 330 HOH HOH A . 
M 5 HOH 34  234 37  HOH HOH A . 
M 5 HOH 35  235 184 HOH HOH A . 
M 5 HOH 36  236 75  HOH HOH A . 
M 5 HOH 37  237 270 HOH HOH A . 
M 5 HOH 38  238 168 HOH HOH A . 
M 5 HOH 39  239 1   HOH HOH A . 
M 5 HOH 40  240 73  HOH HOH A . 
M 5 HOH 41  241 98  HOH HOH A . 
M 5 HOH 42  242 10  HOH HOH A . 
M 5 HOH 43  243 27  HOH HOH A . 
M 5 HOH 44  244 242 HOH HOH A . 
M 5 HOH 45  245 81  HOH HOH A . 
M 5 HOH 46  246 38  HOH HOH A . 
M 5 HOH 47  247 84  HOH HOH A . 
M 5 HOH 48  248 122 HOH HOH A . 
M 5 HOH 49  249 249 HOH HOH A . 
M 5 HOH 50  250 90  HOH HOH A . 
M 5 HOH 51  251 233 HOH HOH A . 
M 5 HOH 52  252 92  HOH HOH A . 
M 5 HOH 53  253 13  HOH HOH A . 
M 5 HOH 54  254 97  HOH HOH A . 
M 5 HOH 55  255 12  HOH HOH A . 
M 5 HOH 56  256 114 HOH HOH A . 
M 5 HOH 57  257 198 HOH HOH A . 
M 5 HOH 58  258 69  HOH HOH A . 
M 5 HOH 59  259 267 HOH HOH A . 
M 5 HOH 60  260 146 HOH HOH A . 
M 5 HOH 61  261 74  HOH HOH A . 
M 5 HOH 62  262 88  HOH HOH A . 
M 5 HOH 63  263 18  HOH HOH A . 
M 5 HOH 64  264 25  HOH HOH A . 
M 5 HOH 65  265 314 HOH HOH A . 
M 5 HOH 66  266 33  HOH HOH A . 
M 5 HOH 67  267 64  HOH HOH A . 
M 5 HOH 68  268 130 HOH HOH A . 
M 5 HOH 69  269 116 HOH HOH A . 
M 5 HOH 70  270 153 HOH HOH A . 
M 5 HOH 71  271 227 HOH HOH A . 
M 5 HOH 72  272 164 HOH HOH A . 
M 5 HOH 73  273 174 HOH HOH A . 
M 5 HOH 74  274 165 HOH HOH A . 
M 5 HOH 75  275 82  HOH HOH A . 
M 5 HOH 76  276 32  HOH HOH A . 
M 5 HOH 77  277 210 HOH HOH A . 
M 5 HOH 78  278 151 HOH HOH A . 
M 5 HOH 79  279 126 HOH HOH A . 
M 5 HOH 80  280 250 HOH HOH A . 
M 5 HOH 81  281 49  HOH HOH A . 
M 5 HOH 82  282 26  HOH HOH A . 
M 5 HOH 83  283 22  HOH HOH A . 
M 5 HOH 84  284 34  HOH HOH A . 
M 5 HOH 85  285 127 HOH HOH A . 
M 5 HOH 86  286 224 HOH HOH A . 
M 5 HOH 87  287 59  HOH HOH A . 
M 5 HOH 88  288 76  HOH HOH A . 
M 5 HOH 89  289 106 HOH HOH A . 
M 5 HOH 90  290 294 HOH HOH A . 
M 5 HOH 91  291 166 HOH HOH A . 
M 5 HOH 92  292 115 HOH HOH A . 
M 5 HOH 93  293 312 HOH HOH A . 
M 5 HOH 94  294 113 HOH HOH A . 
M 5 HOH 95  295 172 HOH HOH A . 
M 5 HOH 96  296 179 HOH HOH A . 
M 5 HOH 97  297 167 HOH HOH A . 
M 5 HOH 98  298 7   HOH HOH A . 
M 5 HOH 99  299 223 HOH HOH A . 
M 5 HOH 100 300 58  HOH HOH A . 
M 5 HOH 101 301 235 HOH HOH A . 
M 5 HOH 102 302 307 HOH HOH A . 
M 5 HOH 103 303 157 HOH HOH A . 
M 5 HOH 104 304 45  HOH HOH A . 
M 5 HOH 105 305 240 HOH HOH A . 
M 5 HOH 106 306 290 HOH HOH A . 
M 5 HOH 107 307 169 HOH HOH A . 
M 5 HOH 108 308 143 HOH HOH A . 
M 5 HOH 109 309 279 HOH HOH A . 
M 5 HOH 110 310 200 HOH HOH A . 
M 5 HOH 111 311 129 HOH HOH A . 
M 5 HOH 112 312 252 HOH HOH A . 
M 5 HOH 113 313 228 HOH HOH A . 
M 5 HOH 114 314 274 HOH HOH A . 
M 5 HOH 115 315 331 HOH HOH A . 
M 5 HOH 116 316 253 HOH HOH A . 
M 5 HOH 117 317 213 HOH HOH A . 
M 5 HOH 118 318 265 HOH HOH A . 
M 5 HOH 119 319 52  HOH HOH A . 
M 5 HOH 120 320 225 HOH HOH A . 
M 5 HOH 121 321 163 HOH HOH A . 
M 5 HOH 122 322 141 HOH HOH A . 
M 5 HOH 123 323 195 HOH HOH A . 
M 5 HOH 124 324 230 HOH HOH A . 
M 5 HOH 125 325 159 HOH HOH A . 
M 5 HOH 126 326 245 HOH HOH A . 
M 5 HOH 127 327 77  HOH HOH A . 
M 5 HOH 128 328 199 HOH HOH A . 
M 5 HOH 129 329 244 HOH HOH A . 
M 5 HOH 130 330 105 HOH HOH A . 
M 5 HOH 131 331 211 HOH HOH A . 
M 5 HOH 132 332 260 HOH HOH A . 
M 5 HOH 133 333 177 HOH HOH A . 
M 5 HOH 134 334 120 HOH HOH A . 
M 5 HOH 135 335 226 HOH HOH A . 
N 5 HOH 1   301 152 HOH HOH B . 
N 5 HOH 2   302 231 HOH HOH B . 
N 5 HOH 3   303 183 HOH HOH B . 
N 5 HOH 4   304 201 HOH HOH B . 
N 5 HOH 5   305 154 HOH HOH B . 
N 5 HOH 6   306 54  HOH HOH B . 
N 5 HOH 7   307 284 HOH HOH B . 
N 5 HOH 8   308 3   HOH HOH B . 
N 5 HOH 9   309 94  HOH HOH B . 
N 5 HOH 10  310 155 HOH HOH B . 
N 5 HOH 11  311 24  HOH HOH B . 
N 5 HOH 12  312 35  HOH HOH B . 
N 5 HOH 13  313 140 HOH HOH B . 
N 5 HOH 14  314 139 HOH HOH B . 
N 5 HOH 15  315 124 HOH HOH B . 
N 5 HOH 16  316 95  HOH HOH B . 
N 5 HOH 17  317 110 HOH HOH B . 
N 5 HOH 18  318 180 HOH HOH B . 
N 5 HOH 19  319 171 HOH HOH B . 
N 5 HOH 20  320 6   HOH HOH B . 
N 5 HOH 21  321 192 HOH HOH B . 
N 5 HOH 22  322 80  HOH HOH B . 
N 5 HOH 23  323 47  HOH HOH B . 
N 5 HOH 24  324 215 HOH HOH B . 
N 5 HOH 25  325 309 HOH HOH B . 
N 5 HOH 26  326 79  HOH HOH B . 
N 5 HOH 27  327 9   HOH HOH B . 
N 5 HOH 28  328 53  HOH HOH B . 
N 5 HOH 29  329 238 HOH HOH B . 
N 5 HOH 30  330 14  HOH HOH B . 
N 5 HOH 31  331 30  HOH HOH B . 
N 5 HOH 32  332 138 HOH HOH B . 
N 5 HOH 33  333 111 HOH HOH B . 
N 5 HOH 34  334 125 HOH HOH B . 
N 5 HOH 35  335 72  HOH HOH B . 
N 5 HOH 36  336 191 HOH HOH B . 
N 5 HOH 37  337 118 HOH HOH B . 
N 5 HOH 38  338 40  HOH HOH B . 
N 5 HOH 39  339 197 HOH HOH B . 
N 5 HOH 40  340 188 HOH HOH B . 
N 5 HOH 41  341 17  HOH HOH B . 
N 5 HOH 42  342 50  HOH HOH B . 
N 5 HOH 43  343 15  HOH HOH B . 
N 5 HOH 44  344 61  HOH HOH B . 
N 5 HOH 45  345 36  HOH HOH B . 
N 5 HOH 46  346 102 HOH HOH B . 
N 5 HOH 47  347 109 HOH HOH B . 
N 5 HOH 48  348 62  HOH HOH B . 
N 5 HOH 49  349 31  HOH HOH B . 
N 5 HOH 50  350 300 HOH HOH B . 
N 5 HOH 51  351 93  HOH HOH B . 
N 5 HOH 52  352 178 HOH HOH B . 
N 5 HOH 53  353 11  HOH HOH B . 
N 5 HOH 54  354 55  HOH HOH B . 
N 5 HOH 55  355 170 HOH HOH B . 
N 5 HOH 56  356 103 HOH HOH B . 
N 5 HOH 57  357 85  HOH HOH B . 
N 5 HOH 58  358 117 HOH HOH B . 
N 5 HOH 59  359 16  HOH HOH B . 
N 5 HOH 60  360 8   HOH HOH B . 
N 5 HOH 61  361 28  HOH HOH B . 
N 5 HOH 62  362 68  HOH HOH B . 
N 5 HOH 63  363 46  HOH HOH B . 
N 5 HOH 64  364 87  HOH HOH B . 
N 5 HOH 65  365 67  HOH HOH B . 
N 5 HOH 66  366 19  HOH HOH B . 
N 5 HOH 67  367 123 HOH HOH B . 
N 5 HOH 68  368 44  HOH HOH B . 
N 5 HOH 69  369 101 HOH HOH B . 
N 5 HOH 70  370 182 HOH HOH B . 
N 5 HOH 71  371 175 HOH HOH B . 
N 5 HOH 72  372 112 HOH HOH B . 
N 5 HOH 73  373 83  HOH HOH B . 
N 5 HOH 74  374 318 HOH HOH B . 
N 5 HOH 75  375 23  HOH HOH B . 
N 5 HOH 76  376 107 HOH HOH B . 
N 5 HOH 77  377 189 HOH HOH B . 
N 5 HOH 78  378 221 HOH HOH B . 
N 5 HOH 79  379 43  HOH HOH B . 
N 5 HOH 80  380 320 HOH HOH B . 
N 5 HOH 81  381 86  HOH HOH B . 
N 5 HOH 82  382 121 HOH HOH B . 
N 5 HOH 83  383 131 HOH HOH B . 
N 5 HOH 84  384 334 HOH HOH B . 
N 5 HOH 85  385 208 HOH HOH B . 
N 5 HOH 86  386 99  HOH HOH B . 
N 5 HOH 87  387 142 HOH HOH B . 
N 5 HOH 88  388 70  HOH HOH B . 
N 5 HOH 89  389 60  HOH HOH B . 
N 5 HOH 90  390 91  HOH HOH B . 
N 5 HOH 91  391 135 HOH HOH B . 
N 5 HOH 92  392 5   HOH HOH B . 
N 5 HOH 93  393 321 HOH HOH B . 
N 5 HOH 94  394 65  HOH HOH B . 
N 5 HOH 95  395 335 HOH HOH B . 
N 5 HOH 96  396 257 HOH HOH B . 
N 5 HOH 97  397 262 HOH HOH B . 
N 5 HOH 98  398 263 HOH HOH B . 
N 5 HOH 99  399 71  HOH HOH B . 
N 5 HOH 100 400 134 HOH HOH B . 
N 5 HOH 101 401 333 HOH HOH B . 
N 5 HOH 102 402 51  HOH HOH B . 
N 5 HOH 103 403 247 HOH HOH B . 
N 5 HOH 104 404 303 HOH HOH B . 
N 5 HOH 105 405 220 HOH HOH B . 
N 5 HOH 106 406 144 HOH HOH B . 
N 5 HOH 107 407 212 HOH HOH B . 
N 5 HOH 108 408 194 HOH HOH B . 
N 5 HOH 109 409 181 HOH HOH B . 
N 5 HOH 110 410 239 HOH HOH B . 
N 5 HOH 111 411 162 HOH HOH B . 
N 5 HOH 112 412 251 HOH HOH B . 
N 5 HOH 113 413 205 HOH HOH B . 
N 5 HOH 114 414 243 HOH HOH B . 
N 5 HOH 115 415 173 HOH HOH B . 
N 5 HOH 116 416 283 HOH HOH B . 
N 5 HOH 117 417 214 HOH HOH B . 
N 5 HOH 118 418 48  HOH HOH B . 
N 5 HOH 119 419 145 HOH HOH B . 
N 5 HOH 120 420 258 HOH HOH B . 
N 5 HOH 121 421 204 HOH HOH B . 
N 5 HOH 122 422 236 HOH HOH B . 
N 5 HOH 123 423 232 HOH HOH B . 
N 5 HOH 124 424 287 HOH HOH B . 
N 5 HOH 125 425 63  HOH HOH B . 
N 5 HOH 126 426 39  HOH HOH B . 
N 5 HOH 127 427 272 HOH HOH B . 
N 5 HOH 128 428 132 HOH HOH B . 
N 5 HOH 129 429 219 HOH HOH B . 
N 5 HOH 130 430 96  HOH HOH B . 
N 5 HOH 131 431 222 HOH HOH B . 
N 5 HOH 132 432 133 HOH HOH B . 
N 5 HOH 133 433 311 HOH HOH B . 
N 5 HOH 134 434 286 HOH HOH B . 
N 5 HOH 135 435 78  HOH HOH B . 
N 5 HOH 136 436 209 HOH HOH B . 
N 5 HOH 137 437 108 HOH HOH B . 
# 
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 SER 1  ? N   ? A SER 1  N   
2  1 Y 0 A SER 1  ? CB  ? A SER 1  CB  
3  1 Y 0 A SER 1  ? OG  ? A SER 1  OG  
4  1 Y 0 A THR 89 ? CA  ? A THR 89 CA  
5  1 Y 0 A THR 89 ? C   ? A THR 89 C   
6  1 Y 0 A THR 89 ? O   ? A THR 89 O   
7  1 Y 0 A THR 89 ? CB  ? A THR 89 CB  
8  1 Y 0 A THR 89 ? OG1 ? A THR 89 OG1 
9  1 Y 0 A THR 89 ? CG2 ? A THR 89 CG2 
10 1 Y 0 B ALA 88 ? C   ? B ALA 88 C   
11 1 Y 0 B ALA 88 ? O   ? B ALA 88 O   
# 
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 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.21.1_5286 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .           2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .           4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9HBE 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     83.149 
_cell.length_a_esd                 ? 
_cell.length_b                     83.149 
_cell.length_b_esd                 ? 
_cell.length_c                     157.813 
_cell.length_c_esd                 ? 
_cell.volume                       944903.524 
_cell.volume_esd                   ? 
_cell.Z_PDB                        36 
_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                         9HBE 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                155 
_symmetry.space_group_name_Hall            
;R 3 2"
;
_symmetry.space_group_name_H-M             'H 3 2' 
_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                   9HBE 
_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             2.20 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          44 
_exptl_crystal.description                  ? 
_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, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              8.5 
_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    '1.26 M Ammonium sulfate, 0.1 M TRIS pH 8.5, 0.2 M Lithium sulfate' 
_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         2022-03-30 
_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                    M 
_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   0.980 
_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        0.980 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   'PROXIMA 2' 
_diffrn_source.pdbx_synchrotron_site       SOLEIL 
# 
_reflns.B_iso_Wilson_estimate                          14.97 
_reflns.entry_id                                       9HBE 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.19 
_reflns.d_resolution_low                               53.19 
_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                                     67645 
_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                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                17.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          8.5 
_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                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.141 
_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                                    1.19 
_reflns_shell.d_res_low                                     1.21 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             3253 
_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                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.532 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          97.7 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_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                               21.04 
_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                                 9HBE 
_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                            1.19 
_refine.ls_d_res_low                             53.19 
_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                     66961 
_refine.ls_number_reflns_R_free                  3396 
_refine.ls_number_reflns_R_work                  63565 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.86 
_refine.ls_percent_reflns_R_free                 5.07 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1774 
_refine.ls_R_factor_R_free                       0.1940 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1765 
_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                          1.33 
_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                 21.6844 
_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                            0.1377 
_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                       1.19 
_refine_hist.d_res_low                        53.19 
_refine_hist.number_atoms_solvent             272 
_refine_hist.number_atoms_total               1994 
_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        1374 
_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' ? 0.0041 ? 1786 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.8172 ? 2532 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0769 ? 228  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0059 ? 264  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 9.9828 ? 696  ? 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' 1.19 1.20  . . 123 2198 82.01  . . . . 0.3502 . . . . . . . . . . . 0.3336 
'X-RAY DIFFRACTION' 1.20 1.22  . . 117 2421 92.02  . . . . 0.3293 . . . . . . . . . . . 0.3862 
'X-RAY DIFFRACTION' 1.22 1.24  . . 134 2662 99.64  . . . . 0.3042 . . . . . . . . . . . 0.3052 
'X-RAY DIFFRACTION' 1.24 1.26  . . 134 2620 99.89  . . . . 0.2952 . . . . . . . . . . . 0.3016 
'X-RAY DIFFRACTION' 1.26 1.28  . . 141 2682 100.00 . . . . 0.2728 . . . . . . . . . . . 0.3018 
'X-RAY DIFFRACTION' 1.28 1.31  . . 136 2650 100.00 . . . . 0.2635 . . . . . . . . . . . 0.3022 
'X-RAY DIFFRACTION' 1.31 1.33  . . 128 2664 99.79  . . . . 0.2489 . . . . . . . . . . . 0.2844 
'X-RAY DIFFRACTION' 1.33 1.36  . . 158 2642 99.96  . . . . 0.2364 . . . . . . . . . . . 0.2539 
'X-RAY DIFFRACTION' 1.36 1.39  . . 147 2657 99.96  . . . . 0.2192 . . . . . . . . . . . 0.2338 
'X-RAY DIFFRACTION' 1.39 1.42  . . 138 2674 100.00 . . . . 0.2129 . . . . . . . . . . . 0.2544 
'X-RAY DIFFRACTION' 1.42 1.46  . . 134 2668 99.96  . . . . 0.2013 . . . . . . . . . . . 0.2185 
'X-RAY DIFFRACTION' 1.46 1.50  . . 137 2661 100.00 . . . . 0.1947 . . . . . . . . . . . 0.2506 
'X-RAY DIFFRACTION' 1.50 1.54  . . 141 2674 100.00 . . . . 0.1847 . . . . . . . . . . . 0.2353 
'X-RAY DIFFRACTION' 1.54 1.59  . . 153 2639 100.00 . . . . 0.1802 . . . . . . . . . . . 0.1977 
'X-RAY DIFFRACTION' 1.59 1.65  . . 144 2680 99.93  . . . . 0.1643 . . . . . . . . . . . 0.1758 
'X-RAY DIFFRACTION' 1.65 1.71  . . 127 2696 100.00 . . . . 0.1726 . . . . . . . . . . . 0.1897 
'X-RAY DIFFRACTION' 1.71 1.79  . . 154 2655 100.00 . . . . 0.1723 . . . . . . . . . . . 0.1805 
'X-RAY DIFFRACTION' 1.79 1.89  . . 139 2700 99.96  . . . . 0.1771 . . . . . . . . . . . 0.2000 
'X-RAY DIFFRACTION' 1.89 2.00  . . 145 2677 99.96  . . . . 0.1656 . . . . . . . . . . . 0.1763 
'X-RAY DIFFRACTION' 2.00 2.16  . . 171 2659 99.86  . . . . 0.1739 . . . . . . . . . . . 0.1887 
'X-RAY DIFFRACTION' 2.16 2.38  . . 152 2718 100.00 . . . . 0.1712 . . . . . . . . . . . 0.1709 
'X-RAY DIFFRACTION' 2.38 2.72  . . 146 2681 100.00 . . . . 0.1796 . . . . . . . . . . . 0.2153 
'X-RAY DIFFRACTION' 2.72 3.43  . . 149 2757 100.00 . . . . 0.1689 . . . . . . . . . . . 0.1895 
'X-RAY DIFFRACTION' 3.43 53.19 . . 148 2830 99.60  . . . . 0.1365 . . . . . . . . . . . 0.1450 
# 
_struct.entry_id                     9HBE 
_struct.title                        'The RSL - phosphonato-calix[6]arene cocrystal structure, pH 8.5' 
_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        9HBE 
_struct_keywords.text            'Beta-propeller, lectin, trimer, 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 2 ? 
D N N 2 ? 
E N N 3 ? 
F N N 3 ? 
G N N 4 ? 
H N N 2 ? 
I N N 3 ? 
J N N 3 ? 
K N N 2 ? 
L N N 4 ? 
M N N 5 ? 
N N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    A0A0S4TLR1_RALSL 
_struct_ref.pdbx_db_accession          A0A0S4TLR1 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;SSVQTAATSWGTVPSIRVYTANNGKITERCWDGKGWYTGAFNEPGDNVSVTSWLVGSAIHIRVYASTGTTTTEWCWDGNG
WTKGAYTATN
;
_struct_ref.pdbx_align_begin           2 
# 
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 9HBE A 1 ? 90 ? A0A0S4TLR1 2 ? 91 ? 1 90 
2 1 9HBE B 1 ? 90 ? A0A0S4TLR1 2 ? 91 ? 1 90 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_defined_assembly ? monomeric 1 
2 author_defined_assembly ? monomeric 1 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,C,D,E,F,G,M 
2 1 B,H,I,J,K,L,N 
# 
_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_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 VAL 13 A . ? VAL 13 A PRO 14 A ? PRO 14 A 1 -4.23 
2 VAL 13 B . ? VAL 13 B PRO 14 B ? PRO 14 B 1 -3.12 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 4 ? 
AA2 ? 4 ? 
AA3 ? 4 ? 
AA4 ? 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 
# 
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 GLN A 4  ? TRP A 10 ? GLN A 4  TRP A 10 
AA1 2 SER A 15 ? ASN A 22 ? SER A 15 ASN A 22 
AA1 3 LYS A 25 ? TRP A 31 ? LYS A 25 TRP A 31 
AA1 4 TRP A 36 ? PRO A 44 ? TRP A 36 PRO A 44 
AA2 1 ASN A 47 ? VAL A 55 ? ASN A 47 VAL A 55 
AA2 2 ALA A 58 ? THR A 67 ? ALA A 58 THR A 67 
AA2 3 THR A 70 ? TRP A 76 ? THR A 70 TRP A 76 
AA2 4 TRP A 81 ? LYS A 83 ? TRP A 81 LYS A 83 
AA3 1 GLN B 4  ? TRP B 10 ? GLN B 4  TRP B 10 
AA3 2 SER B 15 ? ASN B 22 ? SER B 15 ASN B 22 
AA3 3 LYS B 25 ? TRP B 31 ? LYS B 25 TRP B 31 
AA3 4 TRP B 36 ? PRO B 44 ? TRP B 36 PRO B 44 
AA4 1 ASN B 47 ? VAL B 55 ? ASN B 47 VAL B 55 
AA4 2 ALA B 58 ? THR B 67 ? ALA B 58 THR B 67 
AA4 3 THR B 70 ? TRP B 76 ? THR B 70 TRP B 76 
AA4 4 TRP B 81 ? LYS B 83 ? TRP B 81 LYS B 83 
# 
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 GLN A 4  ? N GLN A 4  O ALA A 21 ? O ALA A 21 
AA1 2 3 N ASN A 22 ? N ASN A 22 O LYS A 25 ? O LYS A 25 
AA1 3 4 N ILE A 26 ? N ILE A 26 O GLU A 43 ? O GLU A 43 
AA2 1 2 N THR A 51 ? N THR A 51 O ARG A 62 ? O ARG A 62 
AA2 2 3 N ALA A 65 ? N ALA A 65 O THR A 72 ? O THR A 72 
AA2 3 4 N CYS A 75 ? N CYS A 75 O THR A 82 ? O THR A 82 
AA3 1 2 N GLN B 4  ? N GLN B 4  O ALA B 21 ? O ALA B 21 
AA3 2 3 N ASN B 22 ? N ASN B 22 O LYS B 25 ? O LYS B 25 
AA3 3 4 N CYS B 30 ? N CYS B 30 O TYR B 37 ? O TYR B 37 
AA4 1 2 N THR B 51 ? N THR B 51 O ARG B 62 ? O ARG B 62 
AA4 2 3 N ALA B 65 ? N ALA B 65 O THR B 72 ? O THR B 72 
AA4 3 4 N CYS B 75 ? N CYS B 75 O THR B 82 ? O THR B 82 
# 
_pdbx_entry_details.entry_id                   9HBE 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN A 79 ? ? -145.49 58.31 
2 1 THR B 89 ? ? -61.54  98.77 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 304 ? M HOH . 
2 1 A HOH 319 ? M HOH . 
3 1 B HOH 321 ? N HOH . 
4 1 B HOH 399 ? N HOH . 
5 1 B HOH 418 ? N HOH . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1  x,y,z                  
2  -y,x-y,z               
3  -x+y,-x,z              
4  x-y,-y,-z              
5  -x,-x+y,-z             
6  y,x,-z                 
7  x+1/3,y+2/3,z+2/3      
8  -y+1/3,x-y+2/3,z+2/3   
9  -x+y+1/3,-x+2/3,z+2/3  
10 x-y+1/3,-y+2/3,-z+2/3  
11 -x+1/3,-x+y+2/3,-z+2/3 
12 y+1/3,x+2/3,-z+2/3     
13 x+2/3,y+1/3,z+1/3      
14 -y+2/3,x-y+1/3,z+1/3   
15 -x+y+2/3,-x+1/3,z+1/3  
16 x-y+2/3,-y+1/3,-z+1/3  
17 -x+2/3,-x+y+1/3,-z+1/3 
18 y+2/3,x+1/3,-z+1/3     
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       335 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.62 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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 0 A ASN 90 ? A ASN 90 
2 1 Y 0 B SER 1  ? B SER 1  
3 1 Y 0 B THR 89 ? B THR 89 
4 1 Y 0 B ASN 90 ? B ASN 90 
# 
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 
7AZ C39  C N N 1   
7AZ C40  C Y N 2   
7AZ C26  C Y N 3   
7AZ C27  C Y N 4   
7AZ C28  C N N 5   
7AZ C29  C Y N 6   
7AZ C30  C Y N 7   
7AZ C31  C Y N 8   
7AZ C32  C Y N 9   
7AZ C33  C Y N 10  
7AZ C34  C Y N 11  
7AZ C35  C N N 12  
7AZ O38  O N N 13  
7AZ C1   C Y N 14  
7AZ C2   C Y N 15  
7AZ C3   C Y N 16  
7AZ C4   C Y N 17  
7AZ C5   C Y N 18  
7AZ C6   C Y N 19  
7AZ C7   C N N 20  
7AZ C8   C Y N 21  
7AZ C9   C Y N 22  
7AZ C10  C Y N 23  
7AZ C11  C Y N 24  
7AZ C12  C Y N 25  
7AZ C13  C Y N 26  
7AZ C14  C N N 27  
7AZ C15  C Y N 28  
7AZ C16  C Y N 29  
7AZ C17  C Y N 30  
7AZ C18  C Y N 31  
7AZ C19  C Y N 32  
7AZ C20  C Y N 33  
7AZ C21  C N N 34  
7AZ C22  C Y N 35  
7AZ C23  C Y N 36  
7AZ C24  C Y N 37  
7AZ C25  C Y N 38  
7AZ O72  O N N 39  
7AZ P51  P N N 40  
7AZ O52  O N N 41  
7AZ O63  O N N 42  
7AZ C44  C Y N 43  
7AZ C43  C Y N 44  
7AZ P49  P N N 45  
7AZ O62  O N N 46  
7AZ O61  O N N 47  
7AZ O50  O N N 48  
7AZ C41  C Y N 49  
7AZ C45  C Y N 50  
7AZ C42  C Y N 51  
7AZ O48  O N N 52  
7AZ O47  O N N 53  
7AZ P53  P N N 54  
7AZ O65  O N N 55  
7AZ O64  O N N 56  
7AZ O54  O N N 57  
7AZ O46  O N N 58  
7AZ P55  P N N 59  
7AZ O69  O N N 60  
7AZ O68  O N N 61  
7AZ O56  O N N 62  
7AZ P57  P N N 63  
7AZ O67  O N N 64  
7AZ O66  O N N 65  
7AZ O58  O N N 66  
7AZ P59  P N N 67  
7AZ O71  O N N 68  
7AZ O70  O N N 69  
7AZ O60  O N N 70  
7AZ O37  O N N 71  
7AZ O36  O N N 72  
7AZ H1   H N N 73  
7AZ H2   H N N 74  
7AZ H3   H N N 75  
7AZ H4   H N N 76  
7AZ H5   H N N 77  
7AZ H6   H N N 78  
7AZ H7   H N N 79  
7AZ H8   H N N 80  
7AZ H9   H N N 81  
7AZ H10  H N N 82  
7AZ H11  H N N 83  
7AZ H12  H N N 84  
7AZ H13  H N N 85  
7AZ H14  H N N 86  
7AZ H15  H N N 87  
7AZ H16  H N N 88  
7AZ H17  H N N 89  
7AZ H18  H N N 90  
7AZ H19  H N N 91  
7AZ H20  H N N 92  
7AZ H21  H N N 93  
7AZ H22  H N N 94  
7AZ H23  H N N 95  
7AZ H24  H N N 96  
7AZ H25  H N N 97  
7AZ H26  H N N 98  
7AZ H27  H N N 99  
7AZ H28  H N N 100 
7AZ H29  H N N 101 
7AZ H30  H N N 102 
7AZ H31  H N N 103 
7AZ H32  H N N 104 
7AZ H33  H N N 105 
7AZ H34  H N N 106 
7AZ H35  H N N 107 
7AZ H36  H N N 108 
7AZ H37  H N N 109 
7AZ H38  H N N 110 
7AZ H39  H N N 111 
7AZ H40  H N N 112 
7AZ H41  H N N 113 
7AZ H42  H N N 114 
ALA N    N N N 115 
ALA CA   C N S 116 
ALA C    C N N 117 
ALA O    O N N 118 
ALA CB   C N N 119 
ALA OXT  O N N 120 
ALA H    H N N 121 
ALA H2   H N N 122 
ALA HA   H N N 123 
ALA HB1  H N N 124 
ALA HB2  H N N 125 
ALA HB3  H N N 126 
ALA HXT  H N N 127 
ARG N    N N N 128 
ARG CA   C N S 129 
ARG C    C N N 130 
ARG O    O N N 131 
ARG CB   C N N 132 
ARG CG   C N N 133 
ARG CD   C N N 134 
ARG NE   N N N 135 
ARG CZ   C N N 136 
ARG NH1  N N N 137 
ARG NH2  N N N 138 
ARG OXT  O N N 139 
ARG H    H N N 140 
ARG H2   H N N 141 
ARG HA   H N N 142 
ARG HB2  H N N 143 
ARG HB3  H N N 144 
ARG HG2  H N N 145 
ARG HG3  H N N 146 
ARG HD2  H N N 147 
ARG HD3  H N N 148 
ARG HE   H N N 149 
ARG HH11 H N N 150 
ARG HH12 H N N 151 
ARG HH21 H N N 152 
ARG HH22 H N N 153 
ARG HXT  H N N 154 
ASN N    N N N 155 
ASN CA   C N S 156 
ASN C    C N N 157 
ASN O    O N N 158 
ASN CB   C N N 159 
ASN CG   C N N 160 
ASN OD1  O N N 161 
ASN ND2  N N N 162 
ASN OXT  O N N 163 
ASN H    H N N 164 
ASN H2   H N N 165 
ASN HA   H N N 166 
ASN HB2  H N N 167 
ASN HB3  H N N 168 
ASN HD21 H N N 169 
ASN HD22 H N N 170 
ASN HXT  H N N 171 
ASP N    N N N 172 
ASP CA   C N S 173 
ASP C    C N N 174 
ASP O    O N N 175 
ASP CB   C N N 176 
ASP CG   C N N 177 
ASP OD1  O N N 178 
ASP OD2  O N N 179 
ASP OXT  O N N 180 
ASP H    H N N 181 
ASP H2   H N N 182 
ASP HA   H N N 183 
ASP HB2  H N N 184 
ASP HB3  H N N 185 
ASP HD2  H N N 186 
ASP HXT  H N N 187 
BDF C1   C N N 188 
BDF C2   C N R 189 
BDF C3   C N S 190 
BDF C4   C N R 191 
BDF C5   C N R 192 
BDF C6   C N N 193 
BDF O1   O N N 194 
BDF O2   O N N 195 
BDF O3   O N N 196 
BDF O4   O N N 197 
BDF O5   O N N 198 
BDF O6   O N N 199 
BDF H11  H N N 200 
BDF H12  H N N 201 
BDF H3   H N N 202 
BDF H4   H N N 203 
BDF H5   H N N 204 
BDF H61  H N N 205 
BDF H62  H N N 206 
BDF HO1  H N N 207 
BDF HO2  H N N 208 
BDF HO3  H N N 209 
BDF HO4  H N N 210 
BDF HO5  H N N 211 
CYS N    N N N 212 
CYS CA   C N R 213 
CYS C    C N N 214 
CYS O    O N N 215 
CYS CB   C N N 216 
CYS SG   S N N 217 
CYS OXT  O N N 218 
CYS H    H N N 219 
CYS H2   H N N 220 
CYS HA   H N N 221 
CYS HB2  H N N 222 
CYS HB3  H N N 223 
CYS HG   H N N 224 
CYS HXT  H N N 225 
GLN N    N N N 226 
GLN CA   C N S 227 
GLN C    C N N 228 
GLN O    O N N 229 
GLN CB   C N N 230 
GLN CG   C N N 231 
GLN CD   C N N 232 
GLN OE1  O N N 233 
GLN NE2  N N N 234 
GLN OXT  O N N 235 
GLN H    H N N 236 
GLN H2   H N N 237 
GLN HA   H N N 238 
GLN HB2  H N N 239 
GLN HB3  H N N 240 
GLN HG2  H N N 241 
GLN HG3  H N N 242 
GLN HE21 H N N 243 
GLN HE22 H N N 244 
GLN HXT  H N N 245 
GLU N    N N N 246 
GLU CA   C N S 247 
GLU C    C N N 248 
GLU O    O N N 249 
GLU CB   C N N 250 
GLU CG   C N N 251 
GLU CD   C N N 252 
GLU OE1  O N N 253 
GLU OE2  O N N 254 
GLU OXT  O N N 255 
GLU H    H N N 256 
GLU H2   H N N 257 
GLU HA   H N N 258 
GLU HB2  H N N 259 
GLU HB3  H N N 260 
GLU HG2  H N N 261 
GLU HG3  H N N 262 
GLU HE2  H N N 263 
GLU HXT  H N N 264 
GLY N    N N N 265 
GLY CA   C N N 266 
GLY C    C N N 267 
GLY O    O N N 268 
GLY OXT  O N N 269 
GLY H    H N N 270 
GLY H2   H N N 271 
GLY HA2  H N N 272 
GLY HA3  H N N 273 
GLY HXT  H N N 274 
GOL C1   C N N 275 
GOL O1   O N N 276 
GOL C2   C N N 277 
GOL O2   O N N 278 
GOL C3   C N N 279 
GOL O3   O N N 280 
GOL H11  H N N 281 
GOL H12  H N N 282 
GOL HO1  H N N 283 
GOL H2   H N N 284 
GOL HO2  H N N 285 
GOL H31  H N N 286 
GOL H32  H N N 287 
GOL HO3  H N N 288 
HIS N    N N N 289 
HIS CA   C N S 290 
HIS C    C N N 291 
HIS O    O N N 292 
HIS CB   C N N 293 
HIS CG   C Y N 294 
HIS ND1  N Y N 295 
HIS CD2  C Y N 296 
HIS CE1  C Y N 297 
HIS NE2  N Y N 298 
HIS OXT  O N N 299 
HIS H    H N N 300 
HIS H2   H N N 301 
HIS HA   H N N 302 
HIS HB2  H N N 303 
HIS HB3  H N N 304 
HIS HD1  H N N 305 
HIS HD2  H N N 306 
HIS HE1  H N N 307 
HIS HE2  H N N 308 
HIS HXT  H N N 309 
HOH O    O N N 310 
HOH H1   H N N 311 
HOH H2   H N N 312 
ILE N    N N N 313 
ILE CA   C N S 314 
ILE C    C N N 315 
ILE O    O N N 316 
ILE CB   C N S 317 
ILE CG1  C N N 318 
ILE CG2  C N N 319 
ILE CD1  C N N 320 
ILE OXT  O N N 321 
ILE H    H N N 322 
ILE H2   H N N 323 
ILE HA   H N N 324 
ILE HB   H N N 325 
ILE HG12 H N N 326 
ILE HG13 H N N 327 
ILE HG21 H N N 328 
ILE HG22 H N N 329 
ILE HG23 H N N 330 
ILE HD11 H N N 331 
ILE HD12 H N N 332 
ILE HD13 H N N 333 
ILE HXT  H N N 334 
LEU N    N N N 335 
LEU CA   C N S 336 
LEU C    C N N 337 
LEU O    O N N 338 
LEU CB   C N N 339 
LEU CG   C N N 340 
LEU CD1  C N N 341 
LEU CD2  C N N 342 
LEU OXT  O N N 343 
LEU H    H N N 344 
LEU H2   H N N 345 
LEU HA   H N N 346 
LEU HB2  H N N 347 
LEU HB3  H N N 348 
LEU HG   H N N 349 
LEU HD11 H N N 350 
LEU HD12 H N N 351 
LEU HD13 H N N 352 
LEU HD21 H N N 353 
LEU HD22 H N N 354 
LEU HD23 H N N 355 
LEU HXT  H N N 356 
LYS N    N N N 357 
LYS CA   C N S 358 
LYS C    C N N 359 
LYS O    O N N 360 
LYS CB   C N N 361 
LYS CG   C N N 362 
LYS CD   C N N 363 
LYS CE   C N N 364 
LYS NZ   N N N 365 
LYS OXT  O N N 366 
LYS H    H N N 367 
LYS H2   H N N 368 
LYS HA   H N N 369 
LYS HB2  H N N 370 
LYS HB3  H N N 371 
LYS HG2  H N N 372 
LYS HG3  H N N 373 
LYS HD2  H N N 374 
LYS HD3  H N N 375 
LYS HE2  H N N 376 
LYS HE3  H N N 377 
LYS HZ1  H N N 378 
LYS HZ2  H N N 379 
LYS HZ3  H N N 380 
LYS HXT  H N N 381 
PHE N    N N N 382 
PHE CA   C N S 383 
PHE C    C N N 384 
PHE O    O N N 385 
PHE CB   C N N 386 
PHE CG   C Y N 387 
PHE CD1  C Y N 388 
PHE CD2  C Y N 389 
PHE CE1  C Y N 390 
PHE CE2  C Y N 391 
PHE CZ   C Y N 392 
PHE OXT  O N N 393 
PHE H    H N N 394 
PHE H2   H N N 395 
PHE HA   H N N 396 
PHE HB2  H N N 397 
PHE HB3  H N N 398 
PHE HD1  H N N 399 
PHE HD2  H N N 400 
PHE HE1  H N N 401 
PHE HE2  H N N 402 
PHE HZ   H N N 403 
PHE HXT  H N N 404 
PRO N    N N N 405 
PRO CA   C N S 406 
PRO C    C N N 407 
PRO O    O N N 408 
PRO CB   C N N 409 
PRO CG   C N N 410 
PRO CD   C N N 411 
PRO OXT  O N N 412 
PRO H    H N N 413 
PRO HA   H N N 414 
PRO HB2  H N N 415 
PRO HB3  H N N 416 
PRO HG2  H N N 417 
PRO HG3  H N N 418 
PRO HD2  H N N 419 
PRO HD3  H N N 420 
PRO HXT  H N N 421 
SER N    N N N 422 
SER CA   C N S 423 
SER C    C N N 424 
SER O    O N N 425 
SER CB   C N N 426 
SER OG   O N N 427 
SER OXT  O N N 428 
SER H    H N N 429 
SER H2   H N N 430 
SER HA   H N N 431 
SER HB2  H N N 432 
SER HB3  H N N 433 
SER HG   H N N 434 
SER HXT  H N N 435 
THR N    N N N 436 
THR CA   C N S 437 
THR C    C N N 438 
THR O    O N N 439 
THR CB   C N R 440 
THR OG1  O N N 441 
THR CG2  C N N 442 
THR OXT  O N N 443 
THR H    H N N 444 
THR H2   H N N 445 
THR HA   H N N 446 
THR HB   H N N 447 
THR HG1  H N N 448 
THR HG21 H N N 449 
THR HG22 H N N 450 
THR HG23 H N N 451 
THR HXT  H N N 452 
TRP N    N N N 453 
TRP CA   C N S 454 
TRP C    C N N 455 
TRP O    O N N 456 
TRP CB   C N N 457 
TRP CG   C Y N 458 
TRP CD1  C Y N 459 
TRP CD2  C Y N 460 
TRP NE1  N Y N 461 
TRP CE2  C Y N 462 
TRP CE3  C Y N 463 
TRP CZ2  C Y N 464 
TRP CZ3  C Y N 465 
TRP CH2  C Y N 466 
TRP OXT  O N N 467 
TRP H    H N N 468 
TRP H2   H N N 469 
TRP HA   H N N 470 
TRP HB2  H N N 471 
TRP HB3  H N N 472 
TRP HD1  H N N 473 
TRP HE1  H N N 474 
TRP HE3  H N N 475 
TRP HZ2  H N N 476 
TRP HZ3  H N N 477 
TRP HH2  H N N 478 
TRP HXT  H N N 479 
TYR N    N N N 480 
TYR CA   C N S 481 
TYR C    C N N 482 
TYR O    O N N 483 
TYR CB   C N N 484 
TYR CG   C Y N 485 
TYR CD1  C Y N 486 
TYR CD2  C Y N 487 
TYR CE1  C Y N 488 
TYR CE2  C Y N 489 
TYR CZ   C Y N 490 
TYR OH   O N N 491 
TYR OXT  O N N 492 
TYR H    H N N 493 
TYR H2   H N N 494 
TYR HA   H N N 495 
TYR HB2  H N N 496 
TYR HB3  H N N 497 
TYR HD1  H N N 498 
TYR HD2  H N N 499 
TYR HE1  H N N 500 
TYR HE2  H N N 501 
TYR HH   H N N 502 
TYR HXT  H N N 503 
VAL N    N N N 504 
VAL CA   C N S 505 
VAL C    C N N 506 
VAL O    O N N 507 
VAL CB   C N N 508 
VAL CG1  C N N 509 
VAL CG2  C N N 510 
VAL OXT  O N N 511 
VAL H    H N N 512 
VAL H2   H N N 513 
VAL HA   H N N 514 
VAL HB   H N N 515 
VAL HG11 H N N 516 
VAL HG12 H N N 517 
VAL HG13 H N N 518 
VAL HG21 H N N 519 
VAL HG22 H N N 520 
VAL HG23 H N N 521 
VAL HXT  H N N 522 
# 
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 
7AZ O68 P55  doub N N 1   
7AZ O56 P55  sing N N 2   
7AZ P55 O69  sing N N 3   
7AZ P55 C26  sing N N 4   
7AZ O66 P57  doub N N 5   
7AZ O67 P57  sing N N 6   
7AZ P57 O58  sing N N 7   
7AZ P57 C20  sing N N 8   
7AZ C25 C26  doub Y N 9   
7AZ C25 C22  sing Y N 10  
7AZ C26 C23  sing Y N 11  
7AZ C16 C20  doub Y N 12  
7AZ C16 C19  sing Y N 13  
7AZ C20 C17  sing Y N 14  
7AZ C21 C22  sing N N 15  
7AZ C21 C19  sing N N 16  
7AZ C22 C24  doub Y N 17  
7AZ C23 C27  doub Y N 18  
7AZ C19 C18  doub Y N 19  
7AZ C17 C15  doub Y N 20  
7AZ C24 C27  sing Y N 21  
7AZ C24 O46  sing N N 22  
7AZ C27 C28  sing N N 23  
7AZ C18 C15  sing Y N 24  
7AZ C18 O38  sing N N 25  
7AZ C15 C14  sing N N 26  
7AZ O65 P53  doub N N 27  
7AZ O64 P53  sing N N 28  
7AZ C28 C29  sing N N 29  
7AZ C32 C29  doub Y N 30  
7AZ C32 C33  sing Y N 31  
7AZ P53 C33  sing N N 32  
7AZ P53 O54  sing N N 33  
7AZ C14 C12  sing N N 34  
7AZ C29 C31  sing Y N 35  
7AZ C33 C30  doub Y N 36  
7AZ C31 O47  sing N N 37  
7AZ C31 C34  doub Y N 38  
7AZ C12 C9   doub Y N 39  
7AZ C12 C11  sing Y N 40  
7AZ C30 C34  sing Y N 41  
7AZ O37 C11  sing N N 42  
7AZ C34 C35  sing N N 43  
7AZ C9  C13  sing Y N 44  
7AZ C11 C8   doub Y N 45  
7AZ C35 C45  sing N N 46  
7AZ O71 P59  doub N N 47  
7AZ C13 C10  doub Y N 48  
7AZ C13 P59  sing N N 49  
7AZ C8  C10  sing Y N 50  
7AZ C8  C7   sing N N 51  
7AZ O48 C42  sing N N 52  
7AZ P59 O60  sing N N 53  
7AZ P59 O70  sing N N 54  
7AZ O36 C2   sing N N 55  
7AZ C7  C6   sing N N 56  
7AZ C45 C42  doub Y N 57  
7AZ C45 C41  sing Y N 58  
7AZ C42 C40  sing Y N 59  
7AZ C2  C6   doub Y N 60  
7AZ C2  C5   sing Y N 61  
7AZ C6  C3   sing Y N 62  
7AZ C41 C44  doub Y N 63  
7AZ C40 C39  sing N N 64  
7AZ C40 C43  doub Y N 65  
7AZ C39 C5   sing N N 66  
7AZ C5  C4   doub Y N 67  
7AZ C3  C1   doub Y N 68  
7AZ C44 C43  sing Y N 69  
7AZ C44 P51  sing N N 70  
7AZ O63 P51  doub N N 71  
7AZ C4  C1   sing Y N 72  
7AZ C1  P49  sing N N 73  
7AZ P51 O52  sing N N 74  
7AZ P51 O72  sing N N 75  
7AZ O61 P49  doub N N 76  
7AZ P49 O50  sing N N 77  
7AZ P49 O62  sing N N 78  
7AZ C39 H1   sing N N 79  
7AZ C39 H2   sing N N 80  
7AZ C28 H3   sing N N 81  
7AZ C28 H4   sing N N 82  
7AZ C30 H5   sing N N 83  
7AZ C32 H6   sing N N 84  
7AZ C35 H7   sing N N 85  
7AZ C35 H8   sing N N 86  
7AZ O38 H9   sing N N 87  
7AZ C3  H10  sing N N 88  
7AZ C4  H11  sing N N 89  
7AZ C7  H12  sing N N 90  
7AZ C7  H13  sing N N 91  
7AZ C9  H14  sing N N 92  
7AZ C10 H15  sing N N 93  
7AZ C14 H16  sing N N 94  
7AZ C14 H17  sing N N 95  
7AZ C16 H18  sing N N 96  
7AZ C17 H19  sing N N 97  
7AZ C21 H20  sing N N 98  
7AZ C21 H21  sing N N 99  
7AZ C23 H22  sing N N 100 
7AZ C25 H23  sing N N 101 
7AZ O72 H24  sing N N 102 
7AZ O52 H25  sing N N 103 
7AZ C43 H26  sing N N 104 
7AZ O62 H27  sing N N 105 
7AZ O50 H28  sing N N 106 
7AZ C41 H29  sing N N 107 
7AZ O48 H30  sing N N 108 
7AZ O47 H31  sing N N 109 
7AZ O64 H32  sing N N 110 
7AZ O54 H33  sing N N 111 
7AZ O46 H34  sing N N 112 
7AZ O69 H35  sing N N 113 
7AZ O56 H36  sing N N 114 
7AZ O67 H37  sing N N 115 
7AZ O58 H38  sing N N 116 
7AZ O70 H39  sing N N 117 
7AZ O60 H40  sing N N 118 
7AZ O37 H41  sing N N 119 
7AZ O36 H42  sing N N 120 
ALA N   CA   sing N N 121 
ALA N   H    sing N N 122 
ALA N   H2   sing N N 123 
ALA CA  C    sing N N 124 
ALA CA  CB   sing N N 125 
ALA CA  HA   sing N N 126 
ALA C   O    doub N N 127 
ALA C   OXT  sing N N 128 
ALA CB  HB1  sing N N 129 
ALA CB  HB2  sing N N 130 
ALA CB  HB3  sing N N 131 
ALA OXT HXT  sing N N 132 
ARG N   CA   sing N N 133 
ARG N   H    sing N N 134 
ARG N   H2   sing N N 135 
ARG CA  C    sing N N 136 
ARG CA  CB   sing N N 137 
ARG CA  HA   sing N N 138 
ARG C   O    doub N N 139 
ARG C   OXT  sing N N 140 
ARG CB  CG   sing N N 141 
ARG CB  HB2  sing N N 142 
ARG CB  HB3  sing N N 143 
ARG CG  CD   sing N N 144 
ARG CG  HG2  sing N N 145 
ARG CG  HG3  sing N N 146 
ARG CD  NE   sing N N 147 
ARG CD  HD2  sing N N 148 
ARG CD  HD3  sing N N 149 
ARG NE  CZ   sing N N 150 
ARG NE  HE   sing N N 151 
ARG CZ  NH1  sing N N 152 
ARG CZ  NH2  doub N N 153 
ARG NH1 HH11 sing N N 154 
ARG NH1 HH12 sing N N 155 
ARG NH2 HH21 sing N N 156 
ARG NH2 HH22 sing N N 157 
ARG OXT HXT  sing N N 158 
ASN N   CA   sing N N 159 
ASN N   H    sing N N 160 
ASN N   H2   sing N N 161 
ASN CA  C    sing N N 162 
ASN CA  CB   sing N N 163 
ASN CA  HA   sing N N 164 
ASN C   O    doub N N 165 
ASN C   OXT  sing N N 166 
ASN CB  CG   sing N N 167 
ASN CB  HB2  sing N N 168 
ASN CB  HB3  sing N N 169 
ASN CG  OD1  doub N N 170 
ASN CG  ND2  sing N N 171 
ASN ND2 HD21 sing N N 172 
ASN ND2 HD22 sing N N 173 
ASN OXT HXT  sing N N 174 
ASP N   CA   sing N N 175 
ASP N   H    sing N N 176 
ASP N   H2   sing N N 177 
ASP CA  C    sing N N 178 
ASP CA  CB   sing N N 179 
ASP CA  HA   sing N N 180 
ASP C   O    doub N N 181 
ASP C   OXT  sing N N 182 
ASP CB  CG   sing N N 183 
ASP CB  HB2  sing N N 184 
ASP CB  HB3  sing N N 185 
ASP CG  OD1  doub N N 186 
ASP CG  OD2  sing N N 187 
ASP OD2 HD2  sing N N 188 
ASP OXT HXT  sing N N 189 
BDF C1  C2   sing N N 190 
BDF C1  O1   sing N N 191 
BDF C1  H11  sing N N 192 
BDF C1  H12  sing N N 193 
BDF C2  C3   sing N N 194 
BDF C2  O2   sing N N 195 
BDF C2  O6   sing N N 196 
BDF C3  C4   sing N N 197 
BDF C3  O3   sing N N 198 
BDF C3  H3   sing N N 199 
BDF C4  C5   sing N N 200 
BDF C4  O4   sing N N 201 
BDF C4  H4   sing N N 202 
BDF C5  C6   sing N N 203 
BDF C5  O5   sing N N 204 
BDF C5  H5   sing N N 205 
BDF C6  O6   sing N N 206 
BDF C6  H61  sing N N 207 
BDF C6  H62  sing N N 208 
BDF O1  HO1  sing N N 209 
BDF O2  HO2  sing N N 210 
BDF O3  HO3  sing N N 211 
BDF O4  HO4  sing N N 212 
BDF O5  HO5  sing N N 213 
CYS N   CA   sing N N 214 
CYS N   H    sing N N 215 
CYS N   H2   sing N N 216 
CYS CA  C    sing N N 217 
CYS CA  CB   sing N N 218 
CYS CA  HA   sing N N 219 
CYS C   O    doub N N 220 
CYS C   OXT  sing N N 221 
CYS CB  SG   sing N N 222 
CYS CB  HB2  sing N N 223 
CYS CB  HB3  sing N N 224 
CYS SG  HG   sing N N 225 
CYS OXT HXT  sing N N 226 
GLN N   CA   sing N N 227 
GLN N   H    sing N N 228 
GLN N   H2   sing N N 229 
GLN CA  C    sing N N 230 
GLN CA  CB   sing N N 231 
GLN CA  HA   sing N N 232 
GLN C   O    doub N N 233 
GLN C   OXT  sing N N 234 
GLN CB  CG   sing N N 235 
GLN CB  HB2  sing N N 236 
GLN CB  HB3  sing N N 237 
GLN CG  CD   sing N N 238 
GLN CG  HG2  sing N N 239 
GLN CG  HG3  sing N N 240 
GLN CD  OE1  doub N N 241 
GLN CD  NE2  sing N N 242 
GLN NE2 HE21 sing N N 243 
GLN NE2 HE22 sing N N 244 
GLN OXT HXT  sing N N 245 
GLU N   CA   sing N N 246 
GLU N   H    sing N N 247 
GLU N   H2   sing N N 248 
GLU CA  C    sing N N 249 
GLU CA  CB   sing N N 250 
GLU CA  HA   sing N N 251 
GLU C   O    doub N N 252 
GLU C   OXT  sing N N 253 
GLU CB  CG   sing N N 254 
GLU CB  HB2  sing N N 255 
GLU CB  HB3  sing N N 256 
GLU CG  CD   sing N N 257 
GLU CG  HG2  sing N N 258 
GLU CG  HG3  sing N N 259 
GLU CD  OE1  doub N N 260 
GLU CD  OE2  sing N N 261 
GLU OE2 HE2  sing N N 262 
GLU OXT HXT  sing N N 263 
GLY N   CA   sing N N 264 
GLY N   H    sing N N 265 
GLY N   H2   sing N N 266 
GLY CA  C    sing N N 267 
GLY CA  HA2  sing N N 268 
GLY CA  HA3  sing N N 269 
GLY C   O    doub N N 270 
GLY C   OXT  sing N N 271 
GLY OXT HXT  sing N N 272 
GOL C1  O1   sing N N 273 
GOL C1  C2   sing N N 274 
GOL C1  H11  sing N N 275 
GOL C1  H12  sing N N 276 
GOL O1  HO1  sing N N 277 
GOL C2  O2   sing N N 278 
GOL C2  C3   sing N N 279 
GOL C2  H2   sing N N 280 
GOL O2  HO2  sing N N 281 
GOL C3  O3   sing N N 282 
GOL C3  H31  sing N N 283 
GOL C3  H32  sing N N 284 
GOL O3  HO3  sing N N 285 
HIS N   CA   sing N N 286 
HIS N   H    sing N N 287 
HIS N   H2   sing N N 288 
HIS CA  C    sing N N 289 
HIS CA  CB   sing N N 290 
HIS CA  HA   sing N N 291 
HIS C   O    doub N N 292 
HIS C   OXT  sing N N 293 
HIS CB  CG   sing N N 294 
HIS CB  HB2  sing N N 295 
HIS CB  HB3  sing N N 296 
HIS CG  ND1  sing Y N 297 
HIS CG  CD2  doub Y N 298 
HIS ND1 CE1  doub Y N 299 
HIS ND1 HD1  sing N N 300 
HIS CD2 NE2  sing Y N 301 
HIS CD2 HD2  sing N N 302 
HIS CE1 NE2  sing Y N 303 
HIS CE1 HE1  sing N N 304 
HIS NE2 HE2  sing N N 305 
HIS OXT HXT  sing N N 306 
HOH O   H1   sing N N 307 
HOH O   H2   sing N N 308 
ILE N   CA   sing N N 309 
ILE N   H    sing N N 310 
ILE N   H2   sing N N 311 
ILE CA  C    sing N N 312 
ILE CA  CB   sing N N 313 
ILE CA  HA   sing N N 314 
ILE C   O    doub N N 315 
ILE C   OXT  sing N N 316 
ILE CB  CG1  sing N N 317 
ILE CB  CG2  sing N N 318 
ILE CB  HB   sing N N 319 
ILE CG1 CD1  sing N N 320 
ILE CG1 HG12 sing N N 321 
ILE CG1 HG13 sing N N 322 
ILE CG2 HG21 sing N N 323 
ILE CG2 HG22 sing N N 324 
ILE CG2 HG23 sing N N 325 
ILE CD1 HD11 sing N N 326 
ILE CD1 HD12 sing N N 327 
ILE CD1 HD13 sing N N 328 
ILE OXT HXT  sing N N 329 
LEU N   CA   sing N N 330 
LEU N   H    sing N N 331 
LEU N   H2   sing N N 332 
LEU CA  C    sing N N 333 
LEU CA  CB   sing N N 334 
LEU CA  HA   sing N N 335 
LEU C   O    doub N N 336 
LEU C   OXT  sing N N 337 
LEU CB  CG   sing N N 338 
LEU CB  HB2  sing N N 339 
LEU CB  HB3  sing N N 340 
LEU CG  CD1  sing N N 341 
LEU CG  CD2  sing N N 342 
LEU CG  HG   sing N N 343 
LEU CD1 HD11 sing N N 344 
LEU CD1 HD12 sing N N 345 
LEU CD1 HD13 sing N N 346 
LEU CD2 HD21 sing N N 347 
LEU CD2 HD22 sing N N 348 
LEU CD2 HD23 sing N N 349 
LEU OXT HXT  sing N N 350 
LYS N   CA   sing N N 351 
LYS N   H    sing N N 352 
LYS N   H2   sing N N 353 
LYS CA  C    sing N N 354 
LYS CA  CB   sing N N 355 
LYS CA  HA   sing N N 356 
LYS C   O    doub N N 357 
LYS C   OXT  sing N N 358 
LYS CB  CG   sing N N 359 
LYS CB  HB2  sing N N 360 
LYS CB  HB3  sing N N 361 
LYS CG  CD   sing N N 362 
LYS CG  HG2  sing N N 363 
LYS CG  HG3  sing N N 364 
LYS CD  CE   sing N N 365 
LYS CD  HD2  sing N N 366 
LYS CD  HD3  sing N N 367 
LYS CE  NZ   sing N N 368 
LYS CE  HE2  sing N N 369 
LYS CE  HE3  sing N N 370 
LYS NZ  HZ1  sing N N 371 
LYS NZ  HZ2  sing N N 372 
LYS NZ  HZ3  sing N N 373 
LYS OXT HXT  sing N N 374 
PHE N   CA   sing N N 375 
PHE N   H    sing N N 376 
PHE N   H2   sing N N 377 
PHE CA  C    sing N N 378 
PHE CA  CB   sing N N 379 
PHE CA  HA   sing N N 380 
PHE C   O    doub N N 381 
PHE C   OXT  sing N N 382 
PHE CB  CG   sing N N 383 
PHE CB  HB2  sing N N 384 
PHE CB  HB3  sing N N 385 
PHE CG  CD1  doub Y N 386 
PHE CG  CD2  sing Y N 387 
PHE CD1 CE1  sing Y N 388 
PHE CD1 HD1  sing N N 389 
PHE CD2 CE2  doub Y N 390 
PHE CD2 HD2  sing N N 391 
PHE CE1 CZ   doub Y N 392 
PHE CE1 HE1  sing N N 393 
PHE CE2 CZ   sing Y N 394 
PHE CE2 HE2  sing N N 395 
PHE CZ  HZ   sing N N 396 
PHE OXT HXT  sing N N 397 
PRO N   CA   sing N N 398 
PRO N   CD   sing N N 399 
PRO N   H    sing N N 400 
PRO CA  C    sing N N 401 
PRO CA  CB   sing N N 402 
PRO CA  HA   sing N N 403 
PRO C   O    doub N N 404 
PRO C   OXT  sing N N 405 
PRO CB  CG   sing N N 406 
PRO CB  HB2  sing N N 407 
PRO CB  HB3  sing N N 408 
PRO CG  CD   sing N N 409 
PRO CG  HG2  sing N N 410 
PRO CG  HG3  sing N N 411 
PRO CD  HD2  sing N N 412 
PRO CD  HD3  sing N N 413 
PRO OXT HXT  sing N N 414 
SER N   CA   sing N N 415 
SER N   H    sing N N 416 
SER N   H2   sing N N 417 
SER CA  C    sing N N 418 
SER CA  CB   sing N N 419 
SER CA  HA   sing N N 420 
SER C   O    doub N N 421 
SER C   OXT  sing N N 422 
SER CB  OG   sing N N 423 
SER CB  HB2  sing N N 424 
SER CB  HB3  sing N N 425 
SER OG  HG   sing N N 426 
SER OXT HXT  sing N N 427 
THR N   CA   sing N N 428 
THR N   H    sing N N 429 
THR N   H2   sing N N 430 
THR CA  C    sing N N 431 
THR CA  CB   sing N N 432 
THR CA  HA   sing N N 433 
THR C   O    doub N N 434 
THR C   OXT  sing N N 435 
THR CB  OG1  sing N N 436 
THR CB  CG2  sing N N 437 
THR CB  HB   sing N N 438 
THR OG1 HG1  sing N N 439 
THR CG2 HG21 sing N N 440 
THR CG2 HG22 sing N N 441 
THR CG2 HG23 sing N N 442 
THR OXT HXT  sing N N 443 
TRP N   CA   sing N N 444 
TRP N   H    sing N N 445 
TRP N   H2   sing N N 446 
TRP CA  C    sing N N 447 
TRP CA  CB   sing N N 448 
TRP CA  HA   sing N N 449 
TRP C   O    doub N N 450 
TRP C   OXT  sing N N 451 
TRP CB  CG   sing N N 452 
TRP CB  HB2  sing N N 453 
TRP CB  HB3  sing N N 454 
TRP CG  CD1  doub Y N 455 
TRP CG  CD2  sing Y N 456 
TRP CD1 NE1  sing Y N 457 
TRP CD1 HD1  sing N N 458 
TRP CD2 CE2  doub Y N 459 
TRP CD2 CE3  sing Y N 460 
TRP NE1 CE2  sing Y N 461 
TRP NE1 HE1  sing N N 462 
TRP CE2 CZ2  sing Y N 463 
TRP CE3 CZ3  doub Y N 464 
TRP CE3 HE3  sing N N 465 
TRP CZ2 CH2  doub Y N 466 
TRP CZ2 HZ2  sing N N 467 
TRP CZ3 CH2  sing Y N 468 
TRP CZ3 HZ3  sing N N 469 
TRP CH2 HH2  sing N N 470 
TRP OXT HXT  sing N N 471 
TYR N   CA   sing N N 472 
TYR N   H    sing N N 473 
TYR N   H2   sing N N 474 
TYR CA  C    sing N N 475 
TYR CA  CB   sing N N 476 
TYR CA  HA   sing N N 477 
TYR C   O    doub N N 478 
TYR C   OXT  sing N N 479 
TYR CB  CG   sing N N 480 
TYR CB  HB2  sing N N 481 
TYR CB  HB3  sing N N 482 
TYR CG  CD1  doub Y N 483 
TYR CG  CD2  sing Y N 484 
TYR CD1 CE1  sing Y N 485 
TYR CD1 HD1  sing N N 486 
TYR CD2 CE2  doub Y N 487 
TYR CD2 HD2  sing N N 488 
TYR CE1 CZ   doub Y N 489 
TYR CE1 HE1  sing N N 490 
TYR CE2 CZ   sing Y N 491 
TYR CE2 HE2  sing N N 492 
TYR CZ  OH   sing N N 493 
TYR OH  HH   sing N N 494 
TYR OXT HXT  sing N N 495 
VAL N   CA   sing N N 496 
VAL N   H    sing N N 497 
VAL N   H2   sing N N 498 
VAL CA  C    sing N N 499 
VAL CA  CB   sing N N 500 
VAL CA  HA   sing N N 501 
VAL C   O    doub N N 502 
VAL C   OXT  sing N N 503 
VAL CB  CG1  sing N N 504 
VAL CB  CG2  sing N N 505 
VAL CB  HB   sing N N 506 
VAL CG1 HG11 sing N N 507 
VAL CG1 HG12 sing N N 508 
VAL CG1 HG13 sing N N 509 
VAL CG2 HG21 sing N N 510 
VAL CG2 HG22 sing N N 511 
VAL CG2 HG23 sing N N 512 
VAL OXT HXT  sing N N 513 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Irish Research Council'     Ireland GOIPG/2021/333 1 
'Science Foundation Ireland' Ireland 12/RC/2275_P2  2 
# 
_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   2BT9 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'R 3 2 :H' 
_space_group.name_Hall        
;R 3 2"
;
_space_group.IT_number        155 
_space_group.crystal_system   trigonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    9HBE 
_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]   0.012027 
_atom_sites.fract_transf_matrix[1][2]   0.006944 
_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]   0.013887 
_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]   0.006337 
_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.
;
? 
P ? ? 9.51135 5.44231 ? ? 1.42069  35.72801 ? ? 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 1  ? 37.03232  -26.36994 -12.29932 0.000 52.60278  ? 1   SER A N   1 
ATOM   2    C CA  . SER A 1 1  ? 35.78085  -27.00171 -12.69909 1.000 40.12767  ? 1   SER A CA  1 
ATOM   3    C C   . SER A 1 1  ? 35.04073  -27.54659 -11.48194 1.000 64.72196  ? 1   SER A C   1 
ATOM   4    O O   . SER A 1 1  ? 33.85481  -27.27348 -11.29548 1.000 54.84266  ? 1   SER A O   1 
ATOM   5    C CB  . SER A 1 1  ? 36.04308  -28.13352 -13.69271 0.000 54.58290  ? 1   SER A CB  1 
ATOM   6    O OG  . SER A 1 1  ? 36.62937  -29.25009 -13.04641 0.000 59.84301  ? 1   SER A OG  1 
ATOM   7    N N   . SER A 1 2  ? 35.74432  -28.32339 -10.65999 1.000 28.03459  ? 2   SER A N   1 
ATOM   8    C CA  . SER A 1 2  ? 35.14456  -28.86583 -9.45089  1.000 26.32433  ? 2   SER A CA  1 
ATOM   9    C C   . SER A 1 2  ? 34.84640  -27.74591 -8.46234  1.000 18.01362  ? 2   SER A C   1 
ATOM   10   O O   . SER A 1 2  ? 35.51845  -26.71061 -8.43959  1.000 20.30062  ? 2   SER A O   1 
ATOM   11   C CB  . SER A 1 2  ? 36.08231  -29.88438 -8.80398  1.000 28.65810  ? 2   SER A CB  1 
ATOM   12   O OG  . SER A 1 2  ? 36.30064  -30.99178 -9.66438  1.000 50.38700  ? 2   SER A OG  1 
ATOM   13   N N   . VAL A 1 3  ? 33.80363  -27.95238 -7.65737  1.000 18.06487  ? 3   VAL A N   1 
ATOM   14   C CA  . VAL A 1 3  ? 33.51483  -27.00394 -6.59071  1.000 16.40517  ? 3   VAL A CA  1 
ATOM   15   C C   . VAL A 1 3  ? 34.68995  -26.96010 -5.60902  1.000 16.10331  ? 3   VAL A C   1 
ATOM   16   O O   . VAL A 1 3  ? 35.52676  -27.87256 -5.54477  1.000 17.60131  ? 3   VAL A O   1 
ATOM   17   C CB  . VAL A 1 3  ? 32.18989  -27.31858 -5.87947  1.000 17.74654  ? 3   VAL A CB  1 
ATOM   18   C CG1 . VAL A 1 3  ? 31.03355  -27.31278 -6.88358  1.000 20.27915  ? 3   VAL A CG1 1 
ATOM   19   C CG2 . VAL A 1 3  ? 32.26338  -28.65635 -5.14644  1.000 19.90577  ? 3   VAL A CG2 1 
ATOM   20   N N   . GLN A 1 4  ? 34.76761  -25.86074 -4.86961  1.000 14.68583  ? 4   GLN A N   1 
ATOM   21   C CA  . GLN A 1 4  ? 35.84592  -25.61836 -3.91914  1.000 14.59282  ? 4   GLN A CA  1 
ATOM   22   C C   . GLN A 1 4  ? 35.22973  -25.33754 -2.55788  1.000 12.73061  ? 4   GLN A C   1 
ATOM   23   O O   . GLN A 1 4  ? 34.21833  -24.63754 -2.46088  1.000 14.39368  ? 4   GLN A O   1 
ATOM   24   C CB  . GLN A 1 4  ? 36.69475  -24.43055 -4.38525  1.000 17.88186  ? 4   GLN A CB  1 
ATOM   25   C CG  . GLN A 1 4  ? 37.94427  -24.17092 -3.55990  1.000 22.61620  ? 4   GLN A CG  1 
ATOM   26   C CD  . GLN A 1 4  ? 37.73541  -23.04969 -2.57387  1.000 24.12588  ? 4   GLN A CD  1 
ATOM   27   O OE1 . GLN A 1 4  ? 36.95901  -22.13204 -2.83200  1.000 21.21015  ? 4   GLN A OE1 1 
ATOM   28   N NE2 . GLN A 1 4  ? 38.41170  -23.11703 -1.43470  1.000 23.94511  ? 4   GLN A NE2 1 
ATOM   29   N N   . THR A 1 5  ? 35.80788  -25.91566 -1.50956  1.000 12.56412  ? 5   THR A N   1 
ATOM   30   C CA  . THR A 1 5  ? 35.21652  -25.81567 -0.18338  1.000 12.58816  ? 5   THR A CA  1 
ATOM   31   C C   . THR A 1 5  ? 36.20482  -25.26780 0.83729   1.000 12.37831  ? 5   THR A C   1 
ATOM   32   O O   . THR A 1 5  ? 37.41814  -25.27170 0.64014   1.000 12.24118  ? 5   THR A O   1 
ATOM   33   C CB  . THR A 1 5  ? 34.65143  -27.15245 0.32834   1.000 12.94449  ? 5   THR A CB  1 
ATOM   34   O OG1 . THR A 1 5  ? 35.72448  -28.05153 0.65029   1.000 13.49844  ? 5   THR A OG1 1 
ATOM   35   C CG2 . THR A 1 5  ? 33.69029  -27.78220 -0.68292  1.000 14.86759  ? 5   THR A CG2 1 
ATOM   36   N N   . ALA A 1 6  ? 35.64481  -24.82587 1.95601   1.000 11.87377  ? 6   ALA A N   1 
ATOM   37   C CA  . ALA A 1 6  ? 36.38169  -24.39845 3.13716   1.000 11.26800  ? 6   ALA A CA  1 
ATOM   38   C C   . ALA A 1 6  ? 35.56114  -24.82739 4.34379   1.000 11.24435  ? 6   ALA A C   1 
ATOM   39   O O   . ALA A 1 6  ? 34.33260  -24.84514 4.29256   1.000 12.80273  ? 6   ALA A O   1 
ATOM   40   C CB  . ALA A 1 6  ? 36.58370  -22.87361 3.14004   1.000 13.41287  ? 6   ALA A CB  1 
ATOM   41   N N   . ALA A 1 7  ? 36.23128  -25.18540 5.43352   1.000 10.87645  ? 7   ALA A N   1 
ATOM   42   C CA  . ALA A 1 7  ? 35.54047  -25.74187 6.59383   1.000 12.17370  ? 7   ALA A CA  1 
ATOM   43   C C   . ALA A 1 7  ? 36.11993  -25.17712 7.87962   1.000 10.54519  ? 7   ALA A C   1 
ATOM   44   O O   . ALA A 1 7  ? 37.32220  -24.91515 7.97388   1.000 11.77866  ? 7   ALA A O   1 
ATOM   45   C CB  . ALA A 1 7  ? 35.65746  -27.26917 6.63492   1.000 13.16065  ? 7   ALA A CB  1 
ATOM   46   N N   . THR A 1 8  ? 35.25973  -25.03809 8.88871   1.000 10.44661  ? 8   THR A N   1 
ATOM   47   C CA  . THR A 1 8  ? 35.68407  -24.63935 10.22823  1.000 10.91476  ? 8   THR A CA  1 
ATOM   48   C C   . THR A 1 8  ? 34.80011  -25.36335 11.23387  1.000 11.36269  ? 8   THR A C   1 
ATOM   49   O O   . THR A 1 8  ? 33.71811  -25.85067 10.88911  1.000 11.82416  ? 8   THR A O   1 
ATOM   50   C CB  . THR A 1 8  ? 35.61684  -23.10958 10.39673  1.000 11.77674  ? 8   THR A CB  1 
ATOM   51   O OG1 . THR A 1 8  ? 36.28588  -22.70928 11.59667  1.000 12.69785  ? 8   THR A OG1 1 
ATOM   52   C CG2 . THR A 1 8  ? 34.19514  -22.60899 10.45127  1.000 13.91077  ? 8   THR A CG2 1 
ATOM   53   N N   . SER A 1 9  ? 35.26868  -25.44128 12.47660  1.000 11.03088  ? 9   SER A N   1 
ATOM   54   C CA  . SER A 1 9  ? 34.51601  -26.13055 13.51775  1.000 11.33723  ? 9   SER A CA  1 
ATOM   55   C C   . SER A 1 9  ? 34.84491  -25.50425 14.86331  1.000 11.32608  ? 9   SER A C   1 
ATOM   56   O O   . SER A 1 9  ? 35.89504  -24.87523 15.03120  1.000 12.44471  ? 9   SER A O   1 
ATOM   57   C CB  . SER A 1 9  ? 34.82761  -27.63361 13.54657  1.000 12.90355  ? 9   SER A CB  1 
ATOM   58   O OG  . SER A 1 9  ? 36.20459  -27.88682 13.80174  1.000 12.40983  ? 9   SER A OG  1 
ATOM   59   N N   . TRP A 1 10 ? 33.94212  -25.68732 15.82984  1.000 12.17921  ? 10  TRP A N   1 
ATOM   60   C CA  . TRP A 1 10 ? 34.17039  -25.18418 17.18058  1.000 12.65790  ? 10  TRP A CA  1 
ATOM   61   C C   . TRP A 1 10 ? 33.45217  -26.05418 18.20413  1.000 13.43343  ? 10  TRP A C   1 
ATOM   62   O O   . TRP A 1 10 ? 32.45473  -26.71366 17.90499  1.000 14.58363  ? 10  TRP A O   1 
ATOM   63   C CB  . TRP A 1 10 ? 33.78415  -23.70632 17.31394  1.000 12.55330  ? 10  TRP A CB  1 
ATOM   64   C CG  . TRP A 1 10 ? 32.31472  -23.38947 17.10060  1.000 13.32587  ? 10  TRP A CG  1 
ATOM   65   C CD1 . TRP A 1 10 ? 31.33499  -23.31464 18.07231  1.000 15.32786  ? 10  TRP A CD1 1 
ATOM   66   C CD2 . TRP A 1 10 ? 31.66903  -23.05962 15.86103  1.000 13.52790  ? 10  TRP A CD2 1 
ATOM   67   N NE1 . TRP A 1 10 ? 30.13534  -22.98212 17.50345  1.000 15.25000  ? 10  TRP A NE1 1 
ATOM   68   C CE2 . TRP A 1 10 ? 30.30653  -22.80847 16.15088  1.000 14.66106  ? 10  TRP A CE2 1 
ATOM   69   C CE3 . TRP A 1 10 ? 32.10994  -22.94858 14.53067  1.000 14.22944  ? 10  TRP A CE3 1 
ATOM   70   C CZ2 . TRP A 1 10 ? 29.38303  -22.46306 15.15843  1.000 16.34335  ? 10  TRP A CZ2 1 
ATOM   71   C CZ3 . TRP A 1 10 ? 31.18899  -22.60700 13.55375  1.000 13.99930  ? 10  TRP A CZ3 1 
ATOM   72   C CH2 . TRP A 1 10 ? 29.84425  -22.36558 13.86926  1.000 14.43321  ? 10  TRP A CH2 1 
ATOM   73   N N   . GLY A 1 11 ? 33.95826  -26.01928 19.43480  1.000 15.03681  ? 11  GLY A N   1 
ATOM   74   C CA  . GLY A 1 11 ? 33.41375  -26.83532 20.51491  1.000 17.03684  ? 11  GLY A CA  1 
ATOM   75   C C   . GLY A 1 11 ? 33.80816  -28.29842 20.40663  1.000 15.33344  ? 11  GLY A C   1 
ATOM   76   O O   . GLY A 1 11 ? 34.72382  -28.68742 19.66859  1.000 20.03295  ? 11  GLY A O   1 
ATOM   77   N N   . THR A 1 12 ? 33.08550  -29.13111 21.16680  1.000 18.35544  ? 12  THR A N   1 
ATOM   78   C CA  . THR A 1 12 ? 33.32889  -30.56672 21.22300  1.000 20.93411  ? 12  THR A CA  1 
ATOM   79   C C   . THR A 1 12 ? 32.17658  -31.40798 20.69374  1.000 18.90275  ? 12  THR A C   1 
ATOM   80   O O   . THR A 1 12 ? 32.36494  -32.61459 20.49464  1.000 21.06733  ? 12  THR A O   1 
ATOM   81   C CB  . THR A 1 12 ? 33.63276  -31.01352 22.66472  1.000 22.13348  ? 12  THR A CB  1 
ATOM   82   O OG1 . THR A 1 12 ? 32.61802  -30.50717 23.53899  1.000 27.78769  ? 12  THR A OG1 1 
ATOM   83   C CG2 . THR A 1 12 ? 34.99659  -30.51054 23.12401  1.000 25.31113  ? 12  THR A CG2 1 
ATOM   84   N N   . VAL A 1 13 ? 30.99306  -30.81716 20.48267  1.000 17.83199  ? 13  VAL A N   1 
ATOM   85   C CA  . VAL A 1 13 ? 29.88318  -31.55695 19.87881  1.000 18.67718  ? 13  VAL A CA  1 
ATOM   86   C C   . VAL A 1 13 ? 30.26752  -32.20618 18.55069  1.000 19.70220  ? 13  VAL A C   1 
ATOM   87   O O   . VAL A 1 13 ? 30.04656  -33.41368 18.39237  1.000 19.37348  ? 13  VAL A O   1 
ATOM   88   C CB  . VAL A 1 13 ? 28.62799  -30.67288 19.79503  1.000 16.80625  ? 13  VAL A CB  1 
ATOM   89   C CG1 . VAL A 1 13 ? 27.52033  -31.39290 19.04091  1.000 21.10044  ? 13  VAL A CG1 1 
ATOM   90   C CG2 . VAL A 1 13 ? 28.14836  -30.29933 21.19238  1.000 23.25294  ? 13  VAL A CG2 1 
ATOM   91   N N   . PRO A 1 14 ? 30.84335  -31.48562 17.57079  1.000 16.02188  ? 14  PRO A N   1 
ATOM   92   C CA  . PRO A 1 14 ? 31.12062  -30.04324 17.52398  1.000 16.00731  ? 14  PRO A CA  1 
ATOM   93   C C   . PRO A 1 14 ? 30.07437  -29.31828 16.68600  1.000 13.60097  ? 14  PRO A C   1 
ATOM   94   O O   . PRO A 1 14 ? 29.13764  -29.94774 16.19421  1.000 14.73587  ? 14  PRO A O   1 
ATOM   95   C CB  . PRO A 1 14 ? 32.44329  -30.01587 16.76035  1.000 16.05801  ? 14  PRO A CB  1 
ATOM   96   C CG  . PRO A 1 14 ? 32.20024  -31.04982 15.69176  1.000 17.35015  ? 14  PRO A CG  1 
ATOM   97   C CD  . PRO A 1 14 ? 31.37608  -32.14932 16.36695  1.000 18.36321  ? 14  PRO A CD  1 
ATOM   98   N N   . SER A 1 15 ? 30.19685  -28.00428 16.51393  1.000 12.89966  ? 15  SER A N   1 
ATOM   99   C CA  . SER A 1 15 ? 29.59049  -27.34431 15.36514  1.000 12.59890  ? 15  SER A CA  1 
ATOM   100  C C   . SER A 1 15 ? 30.58887  -27.31209 14.21412  1.000 12.54393  ? 15  SER A C   1 
ATOM   101  O O   . SER A 1 15 ? 31.78935  -27.11802 14.43295  1.000 12.32021  ? 15  SER A O   1 
ATOM   102  C CB  . SER A 1 15 ? 29.17294  -25.92127 15.71157  1.000 14.81545  ? 15  SER A CB  1 
ATOM   103  O OG  . SER A 1 15 ? 27.99659  -25.90729 16.50602  1.000 17.69944  ? 15  SER A OG  1 
ATOM   104  N N   . ILE A 1 16 ? 30.08874  -27.51950 12.99211  1.000 11.90889  ? 16  ILE A N   1 
ATOM   105  C CA  . ILE A 1 16 ? 30.88485  -27.46357 11.77067  1.000 11.62489  ? 16  ILE A CA  1 
ATOM   106  C C   . ILE A 1 16 ? 30.16151  -26.55678 10.78666  1.000 12.30898  ? 16  ILE A C   1 
ATOM   107  O O   . ILE A 1 16 ? 28.92800  -26.58366 10.69156  1.000 12.35693  ? 16  ILE A O   1 
ATOM   108  C CB  . ILE A 1 16 ? 31.07293  -28.85962 11.13357  1.000 12.30360  ? 16  ILE A CB  1 
ATOM   109  C CG1 . ILE A 1 16 ? 31.51266  -29.89414 12.17407  1.000 12.50558  ? 16  ILE A CG1 1 
ATOM   110  C CG2 . ILE A 1 16 ? 32.05795  -28.79685 9.96676   1.000 12.81876  ? 16  ILE A CG2 1 
ATOM   111  C CD1 . ILE A 1 16 ? 31.48677  -31.32344 11.68349  1.000 13.80178  ? 16  ILE A CD1 1 
ATOM   112  N N   . ARG A 1 17 ? 30.92156  -25.77617 10.02186  1.000 11.80383  ? 17  ARG A N   1 
ATOM   113  C CA  . ARG A 1 17 ? 30.38346  -25.03633 8.88285   1.000 11.04993  ? 17  ARG A CA  1 
ATOM   114  C C   . ARG A 1 17 ? 31.24673  -25.35475 7.66648   1.000 12.19562  ? 17  ARG A C   1 
ATOM   115  O O   . ARG A 1 17 ? 32.48391  -25.30231 7.74573   1.000 11.95256  ? 17  ARG A O   1 
ATOM   116  C CB  . ARG A 1 17 ? 30.38473  -23.52237 9.14007   1.000 12.49975  ? 17  ARG A CB  1 
ATOM   117  C CG  . ARG A 1 17 ? 29.52434  -23.07051 10.31793  1.000 13.06092  ? 17  ARG A CG  1 
ATOM   118  C CD  . ARG A 1 17 ? 28.04169  -23.31652 10.06658  1.000 13.27999  ? 17  ARG A CD  1 
ATOM   119  N NE  . ARG A 1 17 ? 27.20909  -22.83570 11.16699  1.000 14.13224  ? 17  ARG A NE  1 
ATOM   120  C CZ  . ARG A 1 17 ? 26.85282  -23.57033 12.20842  1.000 14.03236  ? 17  ARG A CZ  1 
ATOM   121  N NH1 . ARG A 1 17 ? 27.22988  -24.83326 12.32647  1.000 13.84345  ? 17  ARG A NH1 1 
ATOM   122  N NH2 . ARG A 1 17 ? 26.09220  -23.02629 13.15653  1.000 13.91262  ? 17  ARG A NH2 1 
ATOM   123  N N   . VAL A 1 18 ? 30.60891  -25.70063 6.54959   1.000 11.54811  ? 18  VAL A N   1 
ATOM   124  C CA  . VAL A 1 18 ? 31.29881  -25.99948 5.29161   1.000 11.67015  ? 18  VAL A CA  1 
ATOM   125  C C   . VAL A 1 18 ? 30.77659  -25.03094 4.24217   1.000 12.04446  ? 18  VAL A C   1 
ATOM   126  O O   . VAL A 1 18 ? 29.56074  -24.97381 4.00668   1.000 12.87718  ? 18  VAL A O   1 
ATOM   127  C CB  . VAL A 1 18 ? 31.08113  -27.45456 4.84546   1.000 12.55761  ? 18  VAL A CB  1 
ATOM   128  C CG1 . VAL A 1 18 ? 31.80871  -27.71951 3.51309   1.000 14.03369  ? 18  VAL A CG1 1 
ATOM   129  C CG2 . VAL A 1 18 ? 31.55849  -28.41423 5.92832   1.000 13.69308  ? 18  VAL A CG2 1 
ATOM   130  N N   . TYR A 1 19 ? 31.68399  -24.27415 3.62549   1.000 11.45352  ? 19  TYR A N   1 
ATOM   131  C CA  . TYR A 1 19 ? 31.34933  -23.30402 2.58524   1.000 11.81464  ? 19  TYR A CA  1 
ATOM   132  C C   . TYR A 1 19 ? 31.76019  -23.88572 1.24156   1.000 12.35944  ? 19  TYR A C   1 
ATOM   133  O O   . TYR A 1 19 ? 32.85518  -24.43763 1.11661   1.000 12.43546  ? 19  TYR A O   1 
ATOM   134  C CB  . TYR A 1 19 ? 32.06928  -21.96658 2.84074   1.000 11.33514  ? 19  TYR A CB  1 
ATOM   135  C CG  . TYR A 1 19 ? 31.68190  -21.44163 4.19844   1.000 12.50130  ? 19  TYR A CG  1 
ATOM   136  C CD1 . TYR A 1 19 ? 32.36216  -21.84506 5.35712   1.000 11.35846  ? 19  TYR A CD1 1 
ATOM   137  C CD2 . TYR A 1 19 ? 30.57832  -20.61537 4.34375   1.000 13.60378  ? 19  TYR A CD2 1 
ATOM   138  C CE1 . TYR A 1 19 ? 31.95500  -21.43750 6.60726   1.000 12.12052  ? 19  TYR A CE1 1 
ATOM   139  C CE2 . TYR A 1 19 ? 30.16834  -20.18741 5.60093   1.000 12.11315  ? 19  TYR A CE2 1 
ATOM   140  C CZ  . TYR A 1 19 ? 30.85773  -20.61099 6.72975   1.000 11.85368  ? 19  TYR A CZ  1 
ATOM   141  O OH  . TYR A 1 19 ? 30.44294  -20.21560 7.98527   1.000 13.56872  ? 19  TYR A OH  1 
ATOM   142  N N   . THR A 1 20 ? 30.88152  -23.77416 0.23976   1.000 13.36618  ? 20  THR A N   1 
ATOM   143  C CA  . THR A 1 20 ? 31.13938  -24.31781 -1.09423  1.000 12.89892  ? 20  THR A CA  1 
ATOM   144  C C   . THR A 1 20 ? 30.96300  -23.22619 -2.13722  1.000 13.59625  ? 20  THR A C   1 
ATOM   145  O O   . THR A 1 20 ? 29.89435  -22.61378 -2.21127  1.000 14.13742  ? 20  THR A O   1 
ATOM   146  C CB  . THR A 1 20 ? 30.18958  -25.47489 -1.41596  1.000 14.22067  ? 20  THR A CB  1 
ATOM   147  O OG1 . THR A 1 20 ? 30.38069  -26.50980 -0.45375  1.000 15.25096  ? 20  THR A OG1 1 
ATOM   148  C CG2 . THR A 1 20 ? 30.46354  -26.03691 -2.81930  1.000 16.16018  ? 20  THR A CG2 1 
ATOM   149  N N   . ALA A 1 21 ? 32.00813  -22.98673 -2.92911  1.000 13.38276  ? 21  ALA A N   1 
ATOM   150  C CA  . ALA A 1 21 ? 31.92187  -22.12802 -4.10572  1.000 14.54136  ? 21  ALA A CA  1 
ATOM   151  C C   . ALA A 1 21 ? 31.56284  -23.00142 -5.30321  1.000 13.96578  ? 21  ALA A C   1 
ATOM   152  O O   . ALA A 1 21 ? 32.32485  -23.90316 -5.67336  1.000 15.60336  ? 21  ALA A O   1 
ATOM   153  C CB  . ALA A 1 21 ? 33.25076  -21.41232 -4.33973  1.000 15.57724  ? 21  ALA A CB  1 
ATOM   154  N N   . ASN A 1 22 ? 30.40871  -22.72213 -5.91113  1.000 14.69015  ? 22  ASN A N   1 
ATOM   155  C CA  . ASN A 1 22 ? 29.87253  -23.51279 -7.02322  1.000 16.24496  ? 22  ASN A CA  1 
ATOM   156  C C   . ASN A 1 22 ? 29.35335  -22.52847 -8.06537  1.000 15.71383  ? 22  ASN A C   1 
ATOM   157  O O   . ASN A 1 22 ? 28.36990  -21.82616 -7.81073  1.000 16.25391  ? 22  ASN A O   1 
ATOM   158  C CB  . ASN A 1 22 ? 28.73035  -24.39695 -6.51138  1.000 18.97516  ? 22  ASN A CB  1 
ATOM   159  C CG  . ASN A 1 22 ? 28.15743  -25.32053 -7.58058  1.000 20.54228  ? 22  ASN A CG  1 
ATOM   160  O OD1 . ASN A 1 22 ? 28.43747  -25.17687 -8.76781  1.000 19.65911  ? 22  ASN A OD1 1 
ATOM   161  N ND2 . ASN A 1 22 ? 27.33749  -26.26919 -7.15545  1.000 24.63142  ? 22  ASN A ND2 1 
ATOM   162  N N   . ASN A 1 23 ? 30.00797  -22.47080 -9.22923  1.000 17.38113  ? 23  ASN A N   1 
ATOM   163  C CA  . ASN A 1 23 ? 29.54565  -21.63062 -10.33827 1.000 17.41302  ? 23  ASN A CA  1 
ATOM   164  C C   . ASN A 1 23 ? 29.34576  -20.17814 -9.90993  1.000 18.41167  ? 23  ASN A C   1 
ATOM   165  O O   . ASN A 1 23 ? 28.36251  -19.52686 -10.26604 1.000 19.29106  ? 23  ASN A O   1 
ATOM   166  C CB  . ASN A 1 23 ? 28.28979  -22.20138 -11.00071 1.000 18.17648  ? 23  ASN A CB  1 
ATOM   167  C CG  . ASN A 1 23 ? 28.02780  -21.59521 -12.36843 1.000 20.63900  ? 23  ASN A CG  1 
ATOM   168  O OD1 . ASN A 1 23 ? 28.95695  -21.34097 -13.13433 1.000 25.76786  ? 23  ASN A OD1 1 
ATOM   169  N ND2 . ASN A 1 23 ? 26.76697  -21.32615 -12.65604 1.000 27.75544  ? 23  ASN A ND2 1 
ATOM   170  N N   . GLY A 1 24 ? 30.26860  -19.67666 -9.09396  1.000 16.66716  ? 24  GLY A N   1 
ATOM   171  C CA  . GLY A 1 24 ? 30.28620  -18.27879 -8.73737  1.000 17.35570  ? 24  GLY A CA  1 
ATOM   172  C C   . GLY A 1 24 ? 29.49877  -17.92320 -7.49820  1.000 14.60412  ? 24  GLY A C   1 
ATOM   173  O O   . GLY A 1 24 ? 29.45074  -16.74257 -7.13440  1.000 16.98613  ? 24  GLY A O   1 
ATOM   174  N N   . LYS A 1 25 ? 28.86883  -18.89433 -6.84607  1.000 14.71665  ? 25  LYS A N   1 
ATOM   175  C CA  . LYS A 1 25 ? 28.08130  -18.64097 -5.64598  1.000 15.10896  ? 25  LYS A CA  1 
ATOM   176  C C   . LYS A 1 25 ? 28.62457  -19.47478 -4.49419  1.000 14.10200  ? 25  LYS A C   1 
ATOM   177  O O   . LYS A 1 25 ? 28.82668  -20.68324 -4.64661  1.000 15.18451  ? 25  LYS A O   1 
ATOM   178  C CB  . LYS A 1 25 ? 26.61835  -19.02571 -5.85865  1.000 16.12257  ? 25  LYS A CB  1 
ATOM   179  C CG  . LYS A 1 25 ? 25.72929  -18.71719 -4.67287  1.000 15.75941  ? 25  LYS A CG  1 
ATOM   180  C CD  . LYS A 1 25 ? 24.32955  -19.27790 -4.85295  1.000 18.77927  ? 25  LYS A CD  1 
ATOM   181  C CE  . LYS A 1 25 ? 23.40410  -18.81016 -3.74231  1.000 29.18957  ? 25  LYS A CE  1 
ATOM   182  N NZ  . LYS A 1 25 ? 22.03018  -19.35604 -3.90071  1.000 57.08444  ? 25  LYS A NZ  1 
ATOM   183  N N   . ILE A 1 26 ? 28.82416  -18.84326 -3.33666  1.000 13.77705  ? 26  ILE A N   1 
ATOM   184  C CA  . ILE A 1 26 ? 29.23865  -19.54765 -2.12475  1.000 13.71729  ? 26  ILE A CA  1 
ATOM   185  C C   . ILE A 1 26 ? 28.02652  -19.72915 -1.22539  1.000 13.04585  ? 26  ILE A C   1 
ATOM   186  O O   . ILE A 1 26 ? 27.34979  -18.74831 -0.87849  1.000 13.44666  ? 26  ILE A O   1 
ATOM   187  C CB  . ILE A 1 26 ? 30.34862  -18.78897 -1.38325  1.000 12.09198  ? 26  ILE A CB  1 
ATOM   188  C CG1 . ILE A 1 26 ? 31.57469  -18.62530 -2.27659  1.000 15.66995  ? 26  ILE A CG1 1 
ATOM   189  C CG2 . ILE A 1 26 ? 30.72251  -19.54624 -0.10839  1.000 13.78248  ? 26  ILE A CG2 1 
ATOM   190  C CD1 . ILE A 1 26 ? 32.53192  -17.53535 -1.81324  1.000 15.62379  ? 26  ILE A CD1 1 
ATOM   191  N N   . THR A 1 27 ? 27.76167  -20.97780 -0.83933  1.000 14.26809  ? 27  THR A N   1 
ATOM   192  C CA  . THR A 1 27 ? 26.71467  -21.34467 0.10822   1.000 14.11886  ? 27  THR A CA  1 
ATOM   193  C C   . THR A 1 27 ? 27.32627  -22.07175 1.30831   1.000 13.56000  ? 27  THR A C   1 
ATOM   194  O O   . THR A 1 27 ? 28.51810  -22.39289 1.32459   1.000 15.06156  ? 27  THR A O   1 
ATOM   195  C CB  . THR A 1 27 ? 25.64667  -22.22141 -0.56097  1.000 15.60578  ? 27  THR A CB  1 
ATOM   196  O OG1 . THR A 1 27 ? 26.27318  -23.36668 -1.15031  1.000 17.03838  ? 27  THR A OG1 1 
ATOM   197  C CG2 . THR A 1 27 ? 24.91963  -21.43858 -1.63946  1.000 16.68273  ? 27  THR A CG2 1 
ATOM   198  N N   . GLU A 1 28 ? 26.48488  -22.34849 2.30472   1.000 14.28022  ? 28  GLU A N   1 
ATOM   199  C CA  . GLU A 1 28 ? 26.94039  -22.81738 3.60867   1.000 14.64810  ? 28  GLU A CA  1 
ATOM   200  C C   . GLU A 1 28 ? 26.05956  -23.95871 4.09626   1.000 15.54015  ? 28  GLU A C   1 
ATOM   201  O O   . GLU A 1 28 ? 24.83145  -23.84748 4.08226   1.000 14.71336  ? 28  GLU A O   1 
ATOM   202  C CB  . GLU A 1 28 ? 26.87275  -21.65400 4.60619   1.000 14.15395  ? 28  GLU A CB  1 
ATOM   203  C CG  . GLU A 1 28 ? 27.25859  -21.98620 6.04702   1.000 13.02815  ? 28  GLU A CG  1 
ATOM   204  C CD  . GLU A 1 28 ? 26.90022  -20.87246 7.01843   1.000 14.46376  ? 28  GLU A CD  1 
ATOM   205  O OE1 . GLU A 1 28 ? 25.77245  -20.33863 6.92350   1.000 14.36585  ? 28  GLU A OE1 1 
ATOM   206  O OE2 . GLU A 1 28 ? 27.73069  -20.53631 7.88650   1.000 14.83899  ? 28  GLU A OE2 1 
ATOM   207  N N   . ARG A 1 29 ? 26.68543  -25.05174 4.52588   1.000 12.89044  ? 29  ARG A N   1 
ATOM   208  C CA  . ARG A 1 29 ? 26.00907  -26.14774 5.20106   1.000 13.49493  ? 29  ARG A CA  1 
ATOM   209  C C   . ARG A 1 29 ? 26.51906  -26.22962 6.63110   1.000 13.67244  ? 29  ARG A C   1 
ATOM   210  O O   . ARG A 1 29 ? 27.70663  -25.98773 6.89491   1.000 13.17380  ? 29  ARG A O   1 
ATOM   211  C CB  . ARG A 1 29 ? 26.23934  -27.46773 4.47327   1.000 14.83078  ? 29  ARG A CB  1 
ATOM   212  C CG  . ARG A 1 29 ? 25.59382  -27.50165 3.09065   1.000 15.60060  ? 29  ARG A CG  1 
ATOM   213  C CD  . ARG A 1 29 ? 24.08400  -27.70302 3.18065   1.000 16.25065  ? 29  ARG A CD  1 
ATOM   214  N NE  . ARG A 1 29 ? 23.75509  -29.10689 3.38753   1.000 16.80032  ? 29  ARG A NE  1 
ATOM   215  C CZ  . ARG A 1 29 ? 22.53223  -29.56540 3.61504   1.000 16.24474  ? 29  ARG A CZ  1 
ATOM   216  N NH1 . ARG A 1 29 ? 21.49754  -28.74841 3.71994   1.000 18.51712  ? 29  ARG A NH1 1 
ATOM   217  N NH2 . ARG A 1 29 ? 22.34217  -30.87873 3.71096   1.000 18.23079  ? 29  ARG A NH2 1 
ATOM   218  N N   . CYS A 1 30 ? 25.61670  -26.56495 7.55265   1.000 13.92907  ? 30  CYS A N   1 
ATOM   219  C CA  . CYS A 1 30 ? 25.85891  -26.44165 8.98253   1.000 13.72940  ? 30  CYS A CA  1 
ATOM   220  C C   . CYS A 1 30 ? 25.55184  -27.74675 9.69138   1.000 13.14118  ? 30  CYS A C   1 
ATOM   221  O O   . CYS A 1 30 ? 24.58784  -28.44320 9.34693   1.000 14.12971  ? 30  CYS A O   1 
ATOM   222  C CB  . CYS A 1 30 ? 24.92587  -25.39964 9.58878   1.000 14.07138  ? 30  CYS A CB  1 
ATOM   223  S SG  . CYS A 1 30 ? 24.90717  -23.80252 8.74342   1.000 15.52563  ? 30  CYS A SG  1 
ATOM   224  N N   . TRP A 1 31 ? 26.35845  -28.05137 10.70512  1.000 13.21258  ? 31  TRP A N   1 
ATOM   225  C CA  . TRP A 1 31 ? 26.14884  -29.17356 11.61306  1.000 14.01036  ? 31  TRP A CA  1 
ATOM   226  C C   . TRP A 1 31 ? 26.31093  -28.65890 13.03513  1.000 14.28993  ? 31  TRP A C   1 
ATOM   227  O O   . TRP A 1 31 ? 27.31105  -28.00889 13.35032  1.000 14.28885  ? 31  TRP A O   1 
ATOM   228  C CB  . TRP A 1 31 ? 27.20001  -30.26082 11.34570  1.000 13.36407  ? 31  TRP A CB  1 
ATOM   229  C CG  . TRP A 1 31 ? 27.21023  -31.41928 12.33042  1.000 14.76586  ? 31  TRP A CG  1 
ATOM   230  C CD1 . TRP A 1 31 ? 27.91083  -31.50705 13.50986  1.000 15.54356  ? 31  TRP A CD1 1 
ATOM   231  C CD2 . TRP A 1 31 ? 26.48895  -32.64748 12.20451  1.000 16.28761  ? 31  TRP A CD2 1 
ATOM   232  N NE1 . TRP A 1 31 ? 27.66299  -32.72145 14.11851  1.000 16.27739  ? 31  TRP A NE1 1 
ATOM   233  C CE2 . TRP A 1 31 ? 26.79084  -33.43598 13.34062  1.000 14.80755  ? 31  TRP A CE2 1 
ATOM   234  C CE3 . TRP A 1 31 ? 25.61538  -33.15865 11.24104  1.000 17.61670  ? 31  TRP A CE3 1 
ATOM   235  C CZ2 . TRP A 1 31 ? 26.24993  -34.70703 13.53486  1.000 17.17331  ? 31  TRP A CZ2 1 
ATOM   236  C CZ3 . TRP A 1 31 ? 25.08584  -34.41856 11.42848  1.000 18.97892  ? 31  TRP A CZ3 1 
ATOM   237  C CH2 . TRP A 1 31 ? 25.39948  -35.17789 12.57170  1.000 18.69735  ? 31  TRP A CH2 1 
ATOM   238  N N   . ASP A 1 32 ? 25.32100  -28.92620 13.89270  1.000 14.09536  ? 32  ASP A N   1 
ATOM   239  C CA  . ASP A 1 32 ? 25.43171  -28.64256 15.32095  1.000 17.05250  ? 32  ASP A CA  1 
ATOM   240  C C   . ASP A 1 32 ? 25.16960  -29.89035 16.15768  1.000 17.01434  ? 32  ASP A C   1 
ATOM   241  O O   . ASP A 1 32 ? 24.89591  -29.78719 17.36165  1.000 20.85048  ? 32  ASP A O   1 
ATOM   242  C CB  . ASP A 1 32 ? 24.49910  -27.51140 15.76061  1.000 21.56540  ? 32  ASP A CB  1 
ATOM   243  C CG  . ASP A 1 32 ? 24.68255  -26.23557 14.95753  1.000 20.99365  ? 32  ASP A CG  1 
ATOM   244  O OD1 . ASP A 1 32 ? 25.81863  -25.71637 14.85781  1.000 18.47354  ? 32  ASP A OD1 1 
ATOM   245  O OD2 . ASP A 1 32 ? 23.66583  -25.73436 14.43676  1.000 27.60471  ? 32  ASP A OD2 1 
ATOM   246  N N   . GLY A 1 33 ? 25.25854  -31.06772 15.55466  1.000 16.30075  ? 33  GLY A N   1 
ATOM   247  C CA  . GLY A 1 33 ? 25.08108  -32.32885 16.24974  1.000 16.12699  ? 33  GLY A CA  1 
ATOM   248  C C   . GLY A 1 33 ? 23.79313  -33.05982 15.93346  1.000 19.99352  ? 33  GLY A C   1 
ATOM   249  O O   . GLY A 1 33 ? 23.62362  -34.19902 16.39259  1.000 21.75127  ? 33  GLY A O   1 
ATOM   250  N N   . LYS A 1 34 ? 22.87920  -32.46900 15.16454  1.000 16.81317  ? 34  LYS A N   1 
ATOM   251  C CA  . LYS A 1 34 ? 21.59093  -33.11929 14.95010  1.000 17.99406  ? 34  LYS A CA  1 
ATOM   252  C C   . LYS A 1 34 ? 21.20763  -33.22634 13.47621  1.000 21.32721  ? 34  LYS A C   1 
ATOM   253  O O   . LYS A 1 34 ? 20.02724  -33.42134 13.16863  1.000 27.48821  ? 34  LYS A O   1 
ATOM   254  C CB  . LYS A 1 34 ? 20.48207  -32.44858 15.76689  1.000 33.22370  ? 34  LYS A CB  1 
ATOM   255  C CG  . LYS A 1 34 ? 20.22181  -31.01827 15.36738  1.000 25.47370  ? 34  LYS A CG  1 
ATOM   256  C CD  . LYS A 1 34 ? 19.42790  -30.25505 16.42206  1.000 33.49581  ? 34  LYS A CD  1 
ATOM   257  C CE  . LYS A 1 34 ? 18.00368  -30.76762 16.54648  1.000 39.13101  ? 34  LYS A CE  1 
ATOM   258  N NZ  . LYS A 1 34 ? 17.13065  -29.75299 17.20652  1.000 37.25109  ? 34  LYS A NZ  1 
ATOM   259  N N   . GLY A 1 35 ? 22.16740  -33.12848 12.55829  1.000 18.06637  ? 35  GLY A N   1 
ATOM   260  C CA  . GLY A 1 35 ? 21.86632  -33.21445 11.14246  1.000 18.97741  ? 35  GLY A CA  1 
ATOM   261  C C   . GLY A 1 35 ? 22.36239  -32.01158 10.36274  1.000 16.65926  ? 35  GLY A C   1 
ATOM   262  O O   . GLY A 1 35 ? 22.49016  -30.92478 10.92852  1.000 17.55882  ? 35  GLY A O   1 
ATOM   263  N N   . TRP A 1 36 ? 22.64440  -32.18565 9.07438   1.000 15.42471  ? 36  TRP A N   1 
ATOM   264  C CA  . TRP A 1 36 ? 23.11239  -31.07753 8.24994   1.000 14.96902  ? 36  TRP A CA  1 
ATOM   265  C C   . TRP A 1 36 ? 21.94277  -30.22641 7.77425   1.000 15.89295  ? 36  TRP A C   1 
ATOM   266  O O   . TRP A 1 36 ? 20.86810  -30.74439 7.45493   1.000 18.24710  ? 36  TRP A O   1 
ATOM   267  C CB  . TRP A 1 36 ? 23.90689  -31.59867 7.04677   1.000 15.63213  ? 36  TRP A CB  1 
ATOM   268  C CG  . TRP A 1 36 ? 25.24962  -32.14697 7.44410   1.000 13.77674  ? 36  TRP A CG  1 
ATOM   269  C CD1 . TRP A 1 36 ? 25.55092  -33.44411 7.75937   1.000 14.75909  ? 36  TRP A CD1 1 
ATOM   270  C CD2 . TRP A 1 36 ? 26.46326  -31.39770 7.62215   1.000 14.82369  ? 36  TRP A CD2 1 
ATOM   271  N NE1 . TRP A 1 36 ? 26.88144  -33.55184 8.10771   1.000 15.30371  ? 36  TRP A NE1 1 
ATOM   272  C CE2 . TRP A 1 36 ? 27.46136  -32.31099 8.02360   1.000 13.80727  ? 36  TRP A CE2 1 
ATOM   273  C CE3 . TRP A 1 36 ? 26.80476  -30.04364 7.46349   1.000 13.68952  ? 36  TRP A CE3 1 
ATOM   274  C CZ2 . TRP A 1 36 ? 28.77773  -31.91689 8.27728   1.000 14.63757  ? 36  TRP A CZ2 1 
ATOM   275  C CZ3 . TRP A 1 36 ? 28.11464  -29.64973 7.72219   1.000 13.34682  ? 36  TRP A CZ3 1 
ATOM   276  C CH2 . TRP A 1 36 ? 29.08420  -30.58714 8.12321   1.000 13.17331  ? 36  TRP A CH2 1 
ATOM   277  N N   . TYR A 1 37 ? 22.15208  -28.91427 7.72592   1.000 15.66863  ? 37  TYR A N   1 
ATOM   278  C CA  . TYR A 1 37 ? 21.12077  -27.99847 7.25177   1.000 15.70352  ? 37  TYR A CA  1 
ATOM   279  C C   . TYR A 1 37 ? 21.79559  -26.81371 6.57434   1.000 16.82103  ? 37  TYR A C   1 
ATOM   280  O O   . TYR A 1 37 ? 22.99952  -26.58277 6.73728   1.000 17.28568  ? 37  TYR A O   1 
ATOM   281  C CB  . TYR A 1 37 ? 20.18379  -27.54826 8.38284   1.000 17.44601  ? 37  TYR A CB  1 
ATOM   282  C CG  . TYR A 1 37 ? 20.87042  -26.76217 9.47813   1.000 15.91307  ? 37  TYR A CG  1 
ATOM   283  C CD1 . TYR A 1 37 ? 21.52156  -27.40391 10.52196  1.000 17.15268  ? 37  TYR A CD1 1 
ATOM   284  C CD2 . TYR A 1 37 ? 20.86449  -25.37335 9.46469   1.000 18.19493  ? 37  TYR A CD2 1 
ATOM   285  C CE1 . TYR A 1 37 ? 22.15328  -26.67907 11.52725  1.000 16.60997  ? 37  TYR A CE1 1 
ATOM   286  C CE2 . TYR A 1 37 ? 21.48931  -24.64350 10.45589  1.000 17.70430  ? 37  TYR A CE2 1 
ATOM   287  C CZ  . TYR A 1 37 ? 22.13322  -25.30018 11.48263  1.000 18.42883  ? 37  TYR A CZ  1 
ATOM   288  O OH  . TYR A 1 37 ? 22.75742  -24.56555 12.46204  1.000 20.56686  ? 37  TYR A OH  1 
ATOM   289  N N   . THR A 1 38 ? 21.01713  -26.06133 5.80657   1.000 17.49184  ? 38  THR A N   1 
ATOM   290  C CA  . THR A 1 38 ? 21.55771  -24.95926 5.01836   1.000 15.69365  ? 38  THR A CA  1 
ATOM   291  C C   . THR A 1 38 ? 21.58579  -23.67968 5.84788   1.000 17.31138  ? 38  THR A C   1 
ATOM   292  O O   . THR A 1 38 ? 20.58543  -23.31014 6.47040   1.000 18.67839  ? 38  THR A O   1 
ATOM   293  C CB  . THR A 1 38 ? 20.74893  -24.77531 3.73257   1.000 16.89962  ? 38  THR A CB  1 
ATOM   294  O OG1 . THR A 1 38 ? 20.86824  -25.96319 2.94709   1.000 18.96027  ? 38  THR A OG1 1 
ATOM   295  C CG2 . THR A 1 38 ? 21.28105  -23.59945 2.93161   1.000 18.59186  ? 38  THR A CG2 1 
ATOM   296  N N   . GLY A 1 39 ? 22.74920  -23.01951 5.87963   1.000 15.97320  ? 39  GLY A N   1 
ATOM   297  C CA  . GLY A 1 39 ? 22.92133  -21.80690 6.64969   1.000 17.23636  ? 39  GLY A CA  1 
ATOM   298  C C   . GLY A 1 39 ? 22.55418  -20.55864 5.86881   1.000 15.36053  ? 39  GLY A C   1 
ATOM   299  O O   . GLY A 1 39 ? 22.24814  -20.59811 4.67926   1.000 16.34643  ? 39  GLY A O   1 
ATOM   300  N N   . ALA A 1 40 ? 22.62710  -19.42568 6.56011   1.000 15.92126  ? 40  ALA A N   1 
ATOM   301  C CA  . ALA A 1 40 ? 22.21395  -18.14109 6.00371   1.000 17.59767  ? 40  ALA A CA  1 
ATOM   302  C C   . ALA A 1 40 ? 23.21325  -17.53534 5.02110   1.000 17.93430  ? 40  ALA A C   1 
ATOM   303  O O   . ALA A 1 40 ? 22.85227  -16.60431 4.28928   1.000 18.31476  ? 40  ALA A O   1 
ATOM   304  C CB  . ALA A 1 40 ? 21.95649  -17.15254 7.14340   1.000 20.55740  ? 40  ALA A CB  1 
ATOM   305  N N   . PHE A 1 41 ? 24.44448  -18.02665 4.95737   1.000 13.68891  ? 41  PHE A N   1 
ATOM   306  C CA  . PHE A 1 41 ? 25.44926  -17.38351 4.12102   1.000 14.61305  ? 41  PHE A CA  1 
ATOM   307  C C   . PHE A 1 41 ? 25.17703  -17.64059 2.64176   1.000 14.67275  ? 41  PHE A C   1 
ATOM   308  O O   . PHE A 1 41 ? 25.09849  -18.79291 2.21370   1.000 14.65895  ? 41  PHE A O   1 
ATOM   309  C CB  . PHE A 1 41 ? 26.83315  -17.93134 4.47180   1.000 14.75048  ? 41  PHE A CB  1 
ATOM   310  C CG  . PHE A 1 41 ? 27.94836  -17.25278 3.73669   1.000 13.62786  ? 41  PHE A CG  1 
ATOM   311  C CD1 . PHE A 1 41 ? 28.33579  -17.66910 2.47965   1.000 15.01822  ? 41  PHE A CD1 1 
ATOM   312  C CD2 . PHE A 1 41 ? 28.61677  -16.19391 4.31299   1.000 14.97603  ? 41  PHE A CD2 1 
ATOM   313  C CE1 . PHE A 1 41 ? 29.36283  -17.01959 1.79972   1.000 15.68751  ? 41  PHE A CE1 1 
ATOM   314  C CE2 . PHE A 1 41 ? 29.64400  -15.54757 3.64199   1.000 17.61167  ? 41  PHE A CE2 1 
ATOM   315  C CZ  . PHE A 1 41 ? 30.02213  -15.96364 2.38582   1.000 14.39085  ? 41  PHE A CZ  1 
ATOM   316  N N   . ASN A 1 42 ? 25.07486  -16.56228 1.85389   1.000 14.40810  ? 42  ASN A N   1 
ATOM   317  C CA  . ASN A 1 42 ? 25.02203  -16.65896 0.39233   1.000 15.33311  ? 42  ASN A CA  1 
ATOM   318  C C   . ASN A 1 42 ? 25.74292  -15.43427 -0.15616  1.000 13.90531  ? 42  ASN A C   1 
ATOM   319  O O   . ASN A 1 42 ? 25.26111  -14.31301 0.03356   1.000 15.63659  ? 42  ASN A O   1 
ATOM   320  C CB  . ASN A 1 42 ? 23.57644  -16.66272 -0.11754  1.000 16.37878  ? 42  ASN A CB  1 
ATOM   321  C CG  . ASN A 1 42 ? 22.80205  -17.90717 0.26093   1.000 17.66097  ? 42  ASN A CG  1 
ATOM   322  O OD1 . ASN A 1 42 ? 22.77175  -18.88995 -0.47884  1.000 20.02142  ? 42  ASN A OD1 1 
ATOM   323  N ND2 . ASN A 1 42 ? 22.13315  -17.85356 1.40000   1.000 20.22562  ? 42  ASN A ND2 1 
ATOM   324  N N   . GLU A 1 43 ? 26.87525  -15.62609 -0.82679  1.000 13.81934  ? 43  GLU A N   1 
ATOM   325  C CA  . GLU A 1 43 ? 27.62987  -14.49911 -1.36094  1.000 14.40284  ? 43  GLU A CA  1 
ATOM   326  C C   . GLU A 1 43 ? 28.34760  -14.94422 -2.62217  1.000 15.28941  ? 43  GLU A C   1 
ATOM   327  O O   . GLU A 1 43 ? 28.64192  -16.13191 -2.78462  1.000 14.96757  ? 43  GLU A O   1 
ATOM   328  C CB  . GLU A 1 43 ? 28.66188  -13.97049 -0.34949  1.000 14.50943  ? 43  GLU A CB  1 
ATOM   329  C CG  . GLU A 1 43 ? 28.07276  -13.38985 0.93226   1.000 16.17262  ? 43  GLU A CG  1 
ATOM   330  C CD  . GLU A 1 43 ? 27.17923  -12.18263 0.69228   1.000 15.43935  ? 43  GLU A CD  1 
ATOM   331  O OE1 . GLU A 1 43 ? 27.27420  -11.57802 -0.40011  1.000 16.45639  ? 43  GLU A OE1 1 
ATOM   332  O OE2 . GLU A 1 43 ? 26.37426  -11.86076 1.58991   1.000 16.56339  ? 43  GLU A OE2 1 
ATOM   333  N N   . PRO A 1 44 ? 28.66073  -14.01888 -3.52919  1.000 13.81901  ? 44  PRO A N   1 
ATOM   334  C CA  . PRO A 1 44 ? 29.37471  -14.40358 -4.75092  1.000 13.98442  ? 44  PRO A CA  1 
ATOM   335  C C   . PRO A 1 44 ? 30.84522  -14.68809 -4.48366  1.000 13.80529  ? 44  PRO A C   1 
ATOM   336  O O   . PRO A 1 44 ? 31.49598  -14.04723 -3.65045  1.000 15.98868  ? 44  PRO A O   1 
ATOM   337  C CB  . PRO A 1 44 ? 29.23552  -13.16259 -5.64318  1.000 15.57036  ? 44  PRO A CB  1 
ATOM   338  C CG  . PRO A 1 44 ? 29.11140  -12.02376 -4.66823  1.000 17.12260  ? 44  PRO A CG  1 
ATOM   339  C CD  . PRO A 1 44 ? 28.29628  -12.59026 -3.52687  1.000 16.13659  ? 44  PRO A CD  1 
ATOM   340  N N   . GLY A 1 45 ? 31.36885  -15.65866 -5.22171  1.000 14.31026  ? 45  GLY A N   1 
ATOM   341  C CA  . GLY A 1 45 ? 32.79199  -15.90932 -5.24051  1.000 16.25409  ? 45  GLY A CA  1 
ATOM   342  C C   . GLY A 1 45 ? 33.13598  -17.20159 -5.95036  1.000 14.79229  ? 45  GLY A C   1 
ATOM   343  O O   . GLY A 1 45 ? 32.30290  -18.11145 -6.03652  1.000 17.22812  ? 45  GLY A O   1 
ATOM   344  N N   . ASP A 1 46 ? 34.35948  -17.29074 -6.47213  1.000 15.36732  ? 46  ASP A N   1 
ATOM   345  C CA  . ASP A 1 46 ? 34.86292  -18.52484 -7.06232  1.000 16.20505  ? 46  ASP A CA  1 
ATOM   346  C C   . ASP A 1 46 ? 35.77220  -19.30132 -6.12563  1.000 17.51702  ? 46  ASP A C   1 
ATOM   347  O O   . ASP A 1 46 ? 35.96370  -20.50707 -6.31905  1.000 20.60951  ? 46  ASP A O   1 
ATOM   348  C CB  . ASP A 1 46 ? 35.63297  -18.23102 -8.35750  1.000 19.74411  ? 46  ASP A CB  1 
ATOM   349  C CG  . ASP A 1 46 ? 34.77428  -17.54149 -9.40398  1.000 26.05479  ? 46  ASP A CG  1 
ATOM   350  O OD1 . ASP A 1 46 ? 35.19442  -16.48103 -9.91473  1.000 33.74705  ? 46  ASP A OD1 1 
ATOM   351  O OD2 . ASP A 1 46 ? 33.67363  -18.05248 -9.70167  1.000 37.10254  ? 46  ASP A OD2 1 
ATOM   352  N N   . ASN A 1 47 ? 36.32406  -18.63386 -5.12114  1.000 15.96256  ? 47  ASN A N   1 
ATOM   353  C CA  . ASN A 1 47 ? 37.22869  -19.23472 -4.15749  1.000 15.69516  ? 47  ASN A CA  1 
ATOM   354  C C   . ASN A 1 47 ? 36.78906  -18.78498 -2.77723  1.000 14.66814  ? 47  ASN A C   1 
ATOM   355  O O   . ASN A 1 47 ? 36.27870  -17.67632 -2.61631  1.000 14.20045  ? 47  ASN A O   1 
ATOM   356  C CB  . ASN A 1 47 ? 38.65908  -18.75572 -4.40624  1.000 16.28684  ? 47  ASN A CB  1 
ATOM   357  C CG  . ASN A 1 47 ? 39.62373  -19.25744 -3.36846  1.000 21.11286  ? 47  ASN A CG  1 
ATOM   358  O OD1 . ASN A 1 47 ? 39.97824  -18.54178 -2.41927  1.000 20.61035  ? 47  ASN A OD1 1 
ATOM   359  N ND2 . ASN A 1 47 ? 40.04593  -20.50516 -3.52148  1.000 22.66947  ? 47  ASN A ND2 1 
ATOM   360  N N   . VAL A 1 48 ? 36.98555  -19.65064 -1.78402  1.000 13.26004  ? 48  VAL A N   1 
ATOM   361  C CA  . VAL A 1 48 ? 36.55954  -19.36304 -0.41579  1.000 12.04200  ? 48  VAL A CA  1 
ATOM   362  C C   . VAL A 1 48 ? 37.56789  -19.90701 0.59118   1.000 12.70472  ? 48  VAL A C   1 
ATOM   363  O O   . VAL A 1 48 ? 38.10170  -21.00676 0.42285   1.000 13.02931  ? 48  VAL A O   1 
ATOM   364  C CB  . VAL A 1 48 ? 35.12523  -19.88045 -0.14536  1.000 14.05059  ? 48  VAL A CB  1 
ATOM   365  C CG1 . VAL A 1 48 ? 35.02268  -21.39112 -0.32349  1.000 15.02562  ? 48  VAL A CG1 1 
ATOM   366  C CG2 . VAL A 1 48 ? 34.65952  -19.47287 1.24041   1.000 13.00278  ? 48  VAL A CG2 1 
ATOM   367  N N   . SER A 1 49 ? 37.83425  -19.12234 1.63601   1.000 11.58519  ? 49  SER A N   1 
ATOM   368  C CA  . SER A 1 49 ? 38.49934  -19.61030 2.84335   1.000 10.87978  ? 49  SER A CA  1 
ATOM   369  C C   . SER A 1 49 ? 37.72322  -19.12792 4.05944   1.000 12.06273  ? 49  SER A C   1 
ATOM   370  O O   . SER A 1 49 ? 36.88605  -18.22765 3.95603   1.000 12.05327  ? 49  SER A O   1 
ATOM   371  C CB  . SER A 1 49 ? 39.97323  -19.18459 2.92739   1.000 13.70534  ? 49  SER A CB  1 
ATOM   372  O OG  . SER A 1 49 ? 40.09789  -17.78863 3.08053   1.000 13.76659  ? 49  SER A OG  1 
ATOM   373  N N   . VAL A 1 50 ? 38.00078  -19.71794 5.22552   1.000 10.71389  ? 50  VAL A N   1 
ATOM   374  C CA  . VAL A 1 50 ? 37.26292  -19.38469 6.43978   1.000 10.51969  ? 50  VAL A CA  1 
ATOM   375  C C   . VAL A 1 50 ? 38.16108  -19.56438 7.64969   1.000 11.22060  ? 50  VAL A C   1 
ATOM   376  O O   . VAL A 1 50 ? 39.05189  -20.41796 7.66369   1.000 12.38654  ? 50  VAL A O   1 
ATOM   377  C CB  . VAL A 1 50 ? 35.97574  -20.24354 6.57536   1.000 11.36670  ? 50  VAL A CB  1 
ATOM   378  C CG1 . VAL A 1 50 ? 36.29249  -21.73023 6.74675   1.000 12.48411  ? 50  VAL A CG1 1 
ATOM   379  C CG2 . VAL A 1 50 ? 35.08884  -19.75286 7.69144   1.000 11.75459  ? 50  VAL A CG2 1 
ATOM   380  N N   . THR A 1 51 ? 37.89910  -18.76154 8.67674   1.000 10.65518  ? 51  THR A N   1 
ATOM   381  C CA  . THR A 1 51 ? 38.43474  -18.99162 10.01074  1.000 10.87945  ? 51  THR A CA  1 
ATOM   382  C C   . THR A 1 51 ? 37.37109  -18.57452 11.02270  1.000 10.37773  ? 51  THR A C   1 
ATOM   383  O O   . THR A 1 51 ? 36.44443  -17.82098 10.70161  1.000 12.17157  ? 51  THR A O   1 
ATOM   384  C CB  . THR A 1 51 ? 39.77469  -18.24901 10.20941  1.000 11.52893  ? 51  THR A CB  1 
ATOM   385  O OG1 . THR A 1 51 ? 40.40415  -18.70062 11.41533  1.000 13.08814  ? 51  THR A OG1 1 
ATOM   386  C CG2 . THR A 1 51 ? 39.58477  -16.74033 10.29526  1.000 13.20413  ? 51  THR A CG2 1 
ATOM   387  N N   . SER A 1 52 ? 37.47625  -19.10444 12.23970  1.000 11.51500  ? 52  SER A N   1 
ATOM   388  C CA  . SER A 1 52 ? 36.51491  -18.76367 13.28125  1.000 12.01007  ? 52  SER A CA  1 
ATOM   389  C C   . SER A 1 52 ? 37.19368  -18.83781 14.63667  1.000 11.53396  ? 52  SER A C   1 
ATOM   390  O O   . SER A 1 52 ? 38.21324  -19.51132 14.80299  1.000 12.86524  ? 52  SER A O   1 
ATOM   391  C CB  . SER A 1 52 ? 35.27919  -19.67881 13.26401  1.000 11.98901  ? 52  SER A CB  1 
ATOM   392  O OG  . SER A 1 52 ? 35.60023  -21.01590 13.60699  1.000 12.04408  ? 52  SER A OG  1 
ATOM   393  N N   . TRP A 1 53 ? 36.59603  -18.15372 15.61210  1.000 12.89670  ? 53  TRP A N   1 
ATOM   394  C CA  . TRP A 1 53 ? 37.09972  -18.15523 16.97721  1.000 12.15254  ? 53  TRP A CA  1 
ATOM   395  C C   . TRP A 1 53 ? 35.93755  -17.94327 17.93417  1.000 12.72910  ? 53  TRP A C   1 
ATOM   396  O O   . TRP A 1 53 ? 34.93413  -17.31526 17.59136  1.000 13.07851  ? 53  TRP A O   1 
ATOM   397  C CB  . TRP A 1 53 ? 38.16883  -17.07737 17.21628  1.000 13.07194  ? 53  TRP A CB  1 
ATOM   398  C CG  . TRP A 1 53 ? 37.65345  -15.68491 17.07237  1.000 13.82788  ? 53  TRP A CG  1 
ATOM   399  C CD1 . TRP A 1 53 ? 37.18197  -14.86494 18.07190  1.000 15.42611  ? 53  TRP A CD1 1 
ATOM   400  C CD2 . TRP A 1 53 ? 37.55788  -14.93905 15.86105  1.000 12.20007  ? 53  TRP A CD2 1 
ATOM   401  N NE1 . TRP A 1 53 ? 36.78594  -13.66220 17.54531  1.000 14.25691  ? 53  TRP A NE1 1 
ATOM   402  C CE2 . TRP A 1 53 ? 37.01066  -13.67770 16.19136  1.000 13.41118  ? 53  TRP A CE2 1 
ATOM   403  C CE3 . TRP A 1 53 ? 37.87859  -15.21178 14.52194  1.000 13.92721  ? 53  TRP A CE3 1 
ATOM   404  C CZ2 . TRP A 1 53 ? 36.77042  -12.69667 15.22790  1.000 14.94036  ? 53  TRP A CZ2 1 
ATOM   405  C CZ3 . TRP A 1 53 ? 37.64948  -14.23490 13.57525  1.000 14.99740  ? 53  TRP A CZ3 1 
ATOM   406  C CH2 . TRP A 1 53 ? 37.09848  -12.99641 13.93028  1.000 14.91756  ? 53  TRP A CH2 1 
ATOM   407  N N   . LEU A 1 54 ? 36.08505  -18.48219 19.13986  1.000 14.38065  ? 54  LEU A N   1 
ATOM   408  C CA  . LEU A 1 54 ? 35.10411  -18.30958 20.19823  1.000 14.87113  ? 54  LEU A CA  1 
ATOM   409  C C   . LEU A 1 54 ? 35.51547  -17.16694 21.11327  1.000 16.16961  ? 54  LEU A C   1 
ATOM   410  O O   . LEU A 1 54 ? 36.69757  -16.99519 21.42148  1.000 19.21289  ? 54  LEU A O   1 
ATOM   411  C CB  . LEU A 1 54 ? 35.00858  -19.58116 21.04275  1.000 16.44579  ? 54  LEU A CB  1 
ATOM   412  C CG  . LEU A 1 54 ? 34.24987  -20.75026 20.41726  1.000 17.29335  ? 54  LEU A CG  1 
ATOM   413  C CD1 . LEU A 1 54 ? 34.48499  -22.03317 21.20709  1.000 19.17469  ? 54  LEU A CD1 1 
ATOM   414  C CD2 . LEU A 1 54 ? 32.77365  -20.44266 20.33134  1.000 18.60387  ? 54  LEU A CD2 1 
ATOM   415  N N   . VAL A 1 55 ? 34.52945  -16.38138 21.53180  1.000 16.48353  ? 55  VAL A N   1 
ATOM   416  C CA  . VAL A 1 55 ? 34.66870  -15.45724 22.65447  1.000 18.25898  ? 55  VAL A CA  1 
ATOM   417  C C   . VAL A 1 55 ? 33.68181  -15.96942 23.69088  1.000 20.21631  ? 55  VAL A C   1 
ATOM   418  O O   . VAL A 1 55 ? 32.47248  -15.74687 23.57100  1.000 22.20745  ? 55  VAL A O   1 
ATOM   419  C CB  . VAL A 1 55 ? 34.37775  -14.00736 22.25229  1.000 21.63983  ? 55  VAL A CB  1 
ATOM   420  C CG1 . VAL A 1 55 ? 34.46498  -13.07943 23.46866  1.000 27.13796  ? 55  VAL A CG1 1 
ATOM   421  C CG2 . VAL A 1 55 ? 35.34572  -13.56295 21.15415  1.000 24.40204  ? 55  VAL A CG2 1 
ATOM   422  N N   . GLY A 1 56 ? 34.18581  -16.70192 24.68050  1.000 22.64214  ? 56  GLY A N   1 
ATOM   423  C CA  . GLY A 1 56 ? 33.30341  -17.42186 25.57553  1.000 26.67230  ? 56  GLY A CA  1 
ATOM   424  C C   . GLY A 1 56 ? 32.54064  -18.49330 24.82488  1.000 22.65715  ? 56  GLY A C   1 
ATOM   425  O O   . GLY A 1 56 ? 33.14447  -19.42109 24.27628  1.000 26.27394  ? 56  GLY A O   1 
ATOM   426  N N   . SER A 1 57 ? 31.21560  -18.37438 24.78398  1.000 22.48871  ? 57  SER A N   1 
ATOM   427  C CA  . SER A 1 57 ? 30.36982  -19.30071 24.04505  1.000 24.10455  ? 57  SER A CA  1 
ATOM   428  C C   . SER A 1 57 ? 29.93443  -18.76803 22.68142  1.000 21.90272  ? 57  SER A C   1 
ATOM   429  O O   . SER A 1 57 ? 29.25915  -19.48767 21.94122  1.000 23.62443  ? 57  SER A O   1 
ATOM   430  C CB  . SER A 1 57 ? 29.13527  -19.67710 24.87345  1.000 30.65546  ? 57  SER A CB  1 
ATOM   431  O OG  . SER A 1 57 ? 28.35454  -18.53168 25.16686  1.000 37.61955  ? 57  SER A OG  1 
ATOM   432  N N   . ALA A 1 58 ? 30.29982  -17.53697 22.33439  1.000 22.33514  ? 58  ALA A N   1 
ATOM   433  C CA  . ALA A 1 58 ? 29.83714  -16.90632 21.10146  1.000 19.48755  ? 58  ALA A CA  1 
ATOM   434  C C   . ALA A 1 58 ? 30.83754  -17.13254 19.96996  1.000 16.34092  ? 58  ALA A C   1 
ATOM   435  O O   . ALA A 1 58 ? 32.02620  -16.82490 20.11288  1.000 17.99920  ? 58  ALA A O   1 
ATOM   436  C CB  . ALA A 1 58 ? 29.65149  -15.40680 21.32328  1.000 23.29224  ? 58  ALA A CB  1 
ATOM   437  N N   . ILE A 1 59 ? 30.35197  -17.66069 18.83589  1.000 17.39797  ? 59  ILE A N   1 
ATOM   438  C CA  . ILE A 1 59 ? 31.21636  -17.90220 17.68406  1.000 14.29821  ? 59  ILE A CA  1 
ATOM   439  C C   . ILE A 1 59 ? 31.30310  -16.64450 16.82705  1.000 15.17404  ? 59  ILE A C   1 
ATOM   440  O O   . ILE A 1 59 ? 30.33388  -15.88771 16.67174  1.000 15.40427  ? 59  ILE A O   1 
ATOM   441  C CB  . ILE A 1 59 ? 30.73696  -19.12267 16.87087  1.000 16.02124  ? 59  ILE A CB  1 
ATOM   442  C CG1 . ILE A 1 59 ? 31.79510  -19.55825 15.84356  1.000 14.87158  ? 59  ILE A CG1 1 
ATOM   443  C CG2 . ILE A 1 59 ? 29.41470  -18.83576 16.17052  1.000 17.07578  ? 59  ILE A CG2 1 
ATOM   444  C CD1 . ILE A 1 59 ? 33.09055  -20.05295 16.45903  1.000 15.85265  ? 59  ILE A CD1 1 
ATOM   445  N N   . HIS A 1 60 ? 32.49127  -16.41203 16.28095  1.000 13.46427  ? 60  HIS A N   1 
ATOM   446  C CA  . HIS A 1 60 ? 32.74219  -15.36925 15.30131  1.000 12.98362  ? 60  HIS A CA  1 
ATOM   447  C C   . HIS A 1 60 ? 33.38937  -16.03373 14.10297  1.000 11.71993  ? 60  HIS A C   1 
ATOM   448  O O   . HIS A 1 60 ? 34.35404  -16.78953 14.26441  1.000 13.33953  ? 60  HIS A O   1 
ATOM   449  C CB  . HIS A 1 60 ? 33.67606  -14.31678 15.88774  1.000 14.95984  ? 60  HIS A CB  1 
ATOM   450  C CG  . HIS A 1 60 ? 33.09389  -13.62985 17.07885  1.000 14.44557  ? 60  HIS A CG  1 
ATOM   451  N ND1 . HIS A 1 60 ? 32.39118  -12.44978 16.97719  1.000 16.40341  ? 60  HIS A ND1 1 
ATOM   452  C CD2 . HIS A 1 60 ? 33.04828  -13.99016 18.38234  1.000 18.20775  ? 60  HIS A CD2 1 
ATOM   453  C CE1 . HIS A 1 60 ? 31.96401  -12.09474 18.17822  1.000 19.36293  ? 60  HIS A CE1 1 
ATOM   454  N NE2 . HIS A 1 60 ? 32.34796  -13.01277 19.04716  1.000 20.41769  ? 60  HIS A NE2 1 
ATOM   455  N N   . ILE A 1 61 ? 32.84211  -15.78326 12.91918  1.000 11.49434  ? 61  ILE A N   1 
ATOM   456  C CA  . ILE A 1 61 ? 33.28275  -16.43283 11.69127  1.000 11.37388  ? 61  ILE A CA  1 
ATOM   457  C C   . ILE A 1 61 ? 33.68880  -15.35641 10.69844  1.000 12.27465  ? 61  ILE A C   1 
ATOM   458  O O   . ILE A 1 61 ? 33.02054  -14.32166 10.58619  1.000 12.42316  ? 61  ILE A O   1 
ATOM   459  C CB  . ILE A 1 61 ? 32.18006  -17.32666 11.08281  1.000 11.38808  ? 61  ILE A CB  1 
ATOM   460  C CG1 . ILE A 1 61 ? 31.54446  -18.24059 12.13307  1.000 12.72596  ? 61  ILE A CG1 1 
ATOM   461  C CG2 . ILE A 1 61 ? 32.74927  -18.14343 9.91824   1.000 13.49479  ? 61  ILE A CG2 1 
ATOM   462  C CD1 . ILE A 1 61 ? 30.29599  -18.93585 11.61599  1.000 13.55275  ? 61  ILE A CD1 1 
ATOM   463  N N   . ARG A 1 62 ? 34.77953  -15.59956 9.96930   1.000 11.43439  ? 62  ARG A N   1 
ATOM   464  C CA  . ARG A 1 62 ? 35.18583  -14.72964 8.87012   1.000 12.59054  ? 62  ARG A CA  1 
ATOM   465  C C   . ARG A 1 62 ? 35.36580  -15.57855 7.62160   1.000 11.12745  ? 62  ARG A C   1 
ATOM   466  O O   . ARG A 1 62 ? 36.14558  -16.53956 7.62739   1.000 12.01509  ? 62  ARG A O   1 
ATOM   467  C CB  . ARG A 1 62 ? 36.48282  -13.97749 9.18386   1.000 12.64356  ? 62  ARG A CB  1 
ATOM   468  C CG  . ARG A 1 62 ? 36.39045  -13.03754 10.38487  1.000 12.94979  ? 62  ARG A CG  1 
ATOM   469  C CD  . ARG A 1 62 ? 35.43182  -11.87608 10.13790  1.000 12.43796  ? 62  ARG A CD  1 
ATOM   470  N NE  . ARG A 1 62 ? 35.35400  -10.97118 11.28654  1.000 13.76341  ? 62  ARG A NE  1 
ATOM   471  C CZ  . ARG A 1 62 ? 34.49929  -11.09177 12.29624  1.000 13.50163  ? 62  ARG A CZ  1 
ATOM   472  N NH1 . ARG A 1 62 ? 33.62875  -12.08648 12.35492  1.000 13.95419  ? 62  ARG A NH1 1 
ATOM   473  N NH2 . ARG A 1 62 ? 34.53902  -10.20564 13.28979  1.000 15.79312  ? 62  ARG A NH2 1 
ATOM   474  N N   . VAL A 1 63 ? 34.63766  -15.23290 6.56393   1.000 12.07965  ? 63  VAL A N   1 
ATOM   475  C CA  . VAL A 1 63 ? 34.69546  -15.92724 5.28199   1.000 11.76940  ? 63  VAL A CA  1 
ATOM   476  C C   . VAL A 1 63 ? 35.32353  -14.97556 4.27344   1.000 12.30957  ? 63  VAL A C   1 
ATOM   477  O O   . VAL A 1 63 ? 34.89910  -13.81862 4.15655   1.000 13.38044  ? 63  VAL A O   1 
ATOM   478  C CB  . VAL A 1 63 ? 33.29088  -16.36498 4.81962   1.000 11.92597  ? 63  VAL A CB  1 
ATOM   479  C CG1 . VAL A 1 63 ? 33.32907  -16.97433 3.41489   1.000 16.17940  ? 63  VAL A CG1 1 
ATOM   480  C CG2 . VAL A 1 63 ? 32.68757  -17.35193 5.82329   1.000 14.80618  ? 63  VAL A CG2 1 
ATOM   481  N N   . TYR A 1 64 ? 36.32474  -15.45539 3.53823   1.000 11.37942  ? 64  TYR A N   1 
ATOM   482  C CA  . TYR A 1 64 ? 37.02099  -14.65699 2.52378   1.000 11.68351  ? 64  TYR A CA  1 
ATOM   483  C C   . TYR A 1 64 ? 36.61724  -15.19003 1.15394   1.000 13.38229  ? 64  TYR A C   1 
ATOM   484  O O   . TYR A 1 64 ? 36.97794  -16.31302 0.78581   1.000 12.67323  ? 64  TYR A O   1 
ATOM   485  C CB  . TYR A 1 64 ? 38.54381  -14.65917 2.74715   1.000 12.51829  ? 64  TYR A CB  1 
ATOM   486  C CG  . TYR A 1 64 ? 38.82992  -14.08649 4.12029   1.000 11.79253  ? 64  TYR A CG  1 
ATOM   487  C CD1 . TYR A 1 64 ? 38.96501  -12.71543 4.31269   1.000 12.16844  ? 64  TYR A CD1 1 
ATOM   488  C CD2 . TYR A 1 64 ? 38.87537  -14.90303 5.23543   1.000 12.14956  ? 64  TYR A CD2 1 
ATOM   489  C CE1 . TYR A 1 64 ? 39.14456  -12.17900 5.58453   1.000 14.52197  ? 64  TYR A CE1 1 
ATOM   490  C CE2 . TYR A 1 64 ? 39.05874  -14.38166 6.50467   1.000 11.87164  ? 64  TYR A CE2 1 
ATOM   491  C CZ  . TYR A 1 64 ? 39.18569  -13.01336 6.67420   1.000 12.06109  ? 64  TYR A CZ  1 
ATOM   492  O OH  . TYR A 1 64 ? 39.35203  -12.47550 7.93571   1.000 12.94396  ? 64  TYR A OH  1 
ATOM   493  N N   . ALA A 1 65 ? 35.85538  -14.38253 0.41161   1.000 12.48251  ? 65  ALA A N   1 
ATOM   494  C CA  . ALA A 1 65 ? 35.28287  -14.75782 -0.87642  1.000 13.03001  ? 65  ALA A CA  1 
ATOM   495  C C   . ALA A 1 65 ? 36.00092  -14.00097 -1.98770  1.000 13.07439  ? 65  ALA A C   1 
ATOM   496  O O   . ALA A 1 65 ? 36.08947  -12.76929 -1.93884  1.000 15.29329  ? 65  ALA A O   1 
ATOM   497  C CB  . ALA A 1 65 ? 33.80224  -14.38205 -0.89004  1.000 14.85697  ? 65  ALA A CB  1 
ATOM   498  N N   . SER A 1 66 ? 36.51194  -14.72777 -2.98180  1.000 14.05210  ? 66  SER A N   1 
ATOM   499  C CA  . SER A 1 66 ? 37.32654  -14.12278 -4.03307  1.000 15.43493  ? 66  SER A CA  1 
ATOM   500  C C   . SER A 1 66 ? 36.73106  -14.34387 -5.41699  1.000 16.19932  ? 66  SER A C   1 
ATOM   501  O O   . SER A 1 66 ? 36.32278  -15.45834 -5.76050  1.000 16.46470  ? 66  SER A O   1 
ATOM   502  C CB  . SER A 1 66 ? 38.74907  -14.66267 -4.03262  1.000 16.29849  ? 66  SER A CB  1 
ATOM   503  O OG  . SER A 1 66 ? 39.39766  -14.35127 -2.80839  1.000 15.72828  ? 66  SER A OG  1 
ATOM   504  N N   . THR A 1 67 ? 36.72604  -13.26551 -6.20748  1.000 16.92484  ? 67  THR A N   1 
ATOM   505  C CA  . THR A 1 67 ? 36.42123  -13.29158 -7.63355  1.000 19.27368  ? 67  THR A CA  1 
ATOM   506  C C   . THR A 1 67 ? 37.45729  -12.42850 -8.33240  1.000 16.28500  ? 67  THR A C   1 
ATOM   507  O O   . THR A 1 67 ? 37.66763  -11.27454 -7.94458  1.000 19.05442  ? 67  THR A O   1 
ATOM   508  C CB  . THR A 1 67 ? 35.03469  -12.70611 -7.90756  1.000 20.89214  ? 67  THR A CB  1 
ATOM   509  O OG1 . THR A 1 67 ? 34.05447  -13.38649 -7.11786  1.000 21.84814  ? 67  THR A OG1 1 
ATOM   510  C CG2 . THR A 1 67 ? 34.68034  -12.84221 -9.39270  1.000 25.06594  ? 67  THR A CG2 1 
ATOM   511  N N   . GLY A 1 68 ? 38.08334  -12.97426 -9.37380  1.000 21.02404  ? 68  GLY A N   1 
ATOM   512  C CA  . GLY A 1 68 ? 39.18987  -12.25373 -9.98347  1.000 21.32084  ? 68  GLY A CA  1 
ATOM   513  C C   . GLY A 1 68 ? 40.24990  -11.97634 -8.93591  1.000 24.98455  ? 68  GLY A C   1 
ATOM   514  O O   . GLY A 1 68 ? 40.63240  -12.86156 -8.16298  1.000 22.26625  ? 68  GLY A O   1 
ATOM   515  N N   . THR A 1 69 ? 40.70812  -10.72820 -8.86806  1.000 20.63794  ? 69  THR A N   1 
ATOM   516  C CA  . THR A 1 69 ? 41.70656  -10.32647 -7.88834  1.000 24.98476  ? 69  THR A CA  1 
ATOM   517  C C   . THR A 1 69 ? 41.10765  -9.65109  -6.66094  1.000 20.36192  ? 69  THR A C   1 
ATOM   518  O O   . THR A 1 69 ? 41.85822  -9.08193  -5.86353  1.000 26.18494  ? 69  THR A O   1 
ATOM   519  C CB  . THR A 1 69 ? 42.75696  -9.40751  -8.52316  1.000 26.11243  ? 69  THR A CB  1 
ATOM   520  O OG1 . THR A 1 69 ? 42.09858  -8.33265  -9.20374  1.000 29.51022  ? 69  THR A OG1 1 
ATOM   521  C CG2 . THR A 1 69 ? 43.63543  -10.17650 -9.50430  1.000 33.57089  ? 69  THR A CG2 1 
ATOM   522  N N   . THR A 1 70 ? 39.78546  -9.69811  -6.48646  1.000 19.41594  ? 70  THR A N   1 
ATOM   523  C CA  . THR A 1 70 ? 39.11048  -8.99847  -5.39651  1.000 19.54474  ? 70  THR A CA  1 
ATOM   524  C C   . THR A 1 70 ? 38.62219  -10.00333 -4.35970  1.000 18.44909  ? 70  THR A C   1 
ATOM   525  O O   . THR A 1 70 ? 37.85372  -10.91337 -4.68711  1.000 18.56297  ? 70  THR A O   1 
ATOM   526  C CB  . THR A 1 70 ? 37.93254  -8.17210  -5.91484  1.000 25.36808  ? 70  THR A CB  1 
ATOM   527  O OG1 . THR A 1 70 ? 38.40951  -7.19868  -6.85346  1.000 33.44859  ? 70  THR A OG1 1 
ATOM   528  C CG2 . THR A 1 70 ? 37.24257  -7.45478  -4.76777  1.000 27.55590  ? 70  THR A CG2 1 
ATOM   529  N N   . THR A 1 71 ? 39.04703  -9.81977  -3.11465  1.000 16.66452  ? 71  THR A N   1 
ATOM   530  C CA  . THR A 1 71 ? 38.62764  -10.65556 -1.99660  1.000 15.24618  ? 71  THR A CA  1 
ATOM   531  C C   . THR A 1 71 ? 37.75919  -9.81910  -1.06511  1.000 15.71999  ? 71  THR A C   1 
ATOM   532  O O   . THR A 1 71 ? 38.16730  -8.73093  -0.64194  1.000 19.01659  ? 71  THR A O   1 
ATOM   533  C CB  . THR A 1 71 ? 39.84896  -11.19179 -1.23897  1.000 15.75366  ? 71  THR A CB  1 
ATOM   534  O OG1 . THR A 1 71 ? 40.64592  -11.99659 -2.11751  1.000 18.38611  ? 71  THR A OG1 1 
ATOM   535  C CG2 . THR A 1 71 ? 39.41762  -12.03872 -0.03989  1.000 16.78404  ? 71  THR A CG2 1 
ATOM   536  N N   . THR A 1 72 ? 36.56297  -10.31677 -0.76015  1.000 13.78808  ? 72  THR A N   1 
ATOM   537  C CA  . THR A 1 72 ? 35.64910  -9.67102  0.17597   1.000 15.20179  ? 72  THR A CA  1 
ATOM   538  C C   . THR A 1 72 ? 35.55753  -10.50696 1.44474   1.000 14.54234  ? 72  THR A C   1 
ATOM   539  O O   . THR A 1 72 ? 35.37826  -11.72671 1.37468   1.000 15.08958  ? 72  THR A O   1 
ATOM   540  C CB  . THR A 1 72 ? 34.25652  -9.53653  -0.45084  1.000 15.38023  ? 72  THR A CB  1 
ATOM   541  O OG1 . THR A 1 72 ? 34.35088  -8.82999  -1.69553  1.000 16.94898  ? 72  THR A OG1 1 
ATOM   542  C CG2 . THR A 1 72 ? 33.29953  -8.80656  0.46671   1.000 16.10107  ? 72  THR A CG2 1 
ATOM   543  N N   . GLU A 1 73 ? 35.65243  -9.85138  2.59740   1.000 13.19529  ? 73  GLU A N   1 
ATOM   544  C CA  . GLU A 1 73 ? 35.47992  -10.51439 3.88585   1.000 13.69895  ? 73  GLU A CA  1 
ATOM   545  C C   . GLU A 1 73 ? 34.03966  -10.37076 4.35681   1.000 14.51815  ? 73  GLU A C   1 
ATOM   546  O O   . GLU A 1 73 ? 33.47342  -9.27180  4.32323   1.000 14.53573  ? 73  GLU A O   1 
ATOM   547  C CB  . GLU A 1 73 ? 36.40765  -9.87646  4.91811   1.000 14.81893  ? 73  GLU A CB  1 
ATOM   548  C CG  . GLU A 1 73 ? 36.27589  -10.40337 6.34989   1.000 13.29056  ? 73  GLU A CG  1 
ATOM   549  C CD  . GLU A 1 73 ? 37.08789  -9.58425  7.33523   1.000 14.91091  ? 73  GLU A CD  1 
ATOM   550  O OE1 . GLU A 1 73 ? 36.94271  -8.34741  7.31612   1.000 14.93306  ? 73  GLU A OE1 1 
ATOM   551  O OE2 . GLU A 1 73 ? 37.85896  -10.16264 8.12779   1.000 14.11814  ? 73  GLU A OE2 1 
ATOM   552  N N   . TRP A 1 74 ? 33.45434  -11.47507 4.79531   1.000 12.85328  ? 74  TRP A N   1 
ATOM   553  C CA  . TRP A 1 74 ? 32.11828  -11.49441 5.36700   1.000 13.09297  ? 74  TRP A CA  1 
ATOM   554  C C   . TRP A 1 74 ? 32.21692  -11.95992 6.81007   1.000 13.31838  ? 74  TRP A C   1 
ATOM   555  O O   . TRP A 1 74 ? 32.95271  -12.90237 7.11906   1.000 14.20357  ? 74  TRP A O   1 
ATOM   556  C CB  . TRP A 1 74 ? 31.20519  -12.41373 4.56029   1.000 13.37500  ? 74  TRP A CB  1 
ATOM   557  C CG  . TRP A 1 74 ? 30.95848  -11.86769 3.19594   1.000 15.48081  ? 74  TRP A CG  1 
ATOM   558  C CD1 . TRP A 1 74 ? 31.54601  -12.25634 2.02614   1.000 15.17372  ? 74  TRP A CD1 1 
ATOM   559  C CD2 . TRP A 1 74 ? 30.08451  -10.78236 2.86514   1.000 15.28359  ? 74  TRP A CD2 1 
ATOM   560  N NE1 . TRP A 1 74 ? 31.07454  -11.48895 0.97918   1.000 15.15237  ? 74  TRP A NE1 1 
ATOM   561  C CE2 . TRP A 1 74 ? 30.16752  -10.58578 1.47100   1.000 15.04057  ? 74  TRP A CE2 1 
ATOM   562  C CE3 . TRP A 1 74 ? 29.21498  -9.98084  3.60826   1.000 15.63665  ? 74  TRP A CE3 1 
ATOM   563  C CZ2 . TRP A 1 74 ? 29.42902  -9.59444  0.80821   1.000 17.37028  ? 74  TRP A CZ2 1 
ATOM   564  C CZ3 . TRP A 1 74 ? 28.47727  -9.00433  2.94874   1.000 17.45498  ? 74  TRP A CZ3 1 
ATOM   565  C CH2 . TRP A 1 74 ? 28.59350  -8.82019  1.56600   1.000 19.76568  ? 74  TRP A CH2 1 
ATOM   566  N N   . CYS A 1 75 ? 31.46439  -11.31239 7.69128   1.000 13.12343  ? 75  CYS A N   1 
ATOM   567  C CA  . CYS A 1 75 ? 31.61686  -11.48037 9.13198   1.000 13.60025  ? 75  CYS A CA  1 
ATOM   568  C C   . CYS A 1 75 ? 30.31233  -11.95577 9.75072   1.000 14.11189  ? 75  CYS A C   1 
ATOM   569  O O   . CYS A 1 75 ? 29.26183  -11.33852 9.53265   1.000 15.30587  ? 75  CYS A O   1 
ATOM   570  C CB  . CYS A 1 75 ? 31.95898  -10.13645 9.77641   1.000 16.37855  ? 75  CYS A CB  1 
ATOM   571  S SG  . CYS A 1 75 ? 33.37362  -9.28987  9.06081   1.000 16.18346  ? 75  CYS A SG  1 
ATOM   572  N N   . TRP A 1 76 ? 30.38519  -13.02121 10.55296  1.000 13.56597  ? 76  TRP A N   1 
ATOM   573  C CA  . TRP A 1 76 ? 29.28112  -13.45575 11.39911  1.000 14.82543  ? 76  TRP A CA  1 
ATOM   574  C C   . TRP A 1 76 ? 29.68945  -13.23595 12.84452  1.000 15.29669  ? 76  TRP A C   1 
ATOM   575  O O   . TRP A 1 76 ? 30.70312  -13.77858 13.29679  1.000 14.69442  ? 76  TRP A O   1 
ATOM   576  C CB  . TRP A 1 76 ? 28.93593  -14.92639 11.19196  1.000 15.35170  ? 76  TRP A CB  1 
ATOM   577  C CG  . TRP A 1 76 ? 27.84125  -15.36856 12.12996  1.000 17.66544  ? 76  TRP A CG  1 
ATOM   578  C CD1 . TRP A 1 76 ? 27.98777  -15.89991 13.38334  1.000 17.06822  ? 76  TRP A CD1 1 
ATOM   579  C CD2 . TRP A 1 76 ? 26.43869  -15.30137 11.88715  1.000 16.43096  ? 76  TRP A CD2 1 
ATOM   580  N NE1 . TRP A 1 76 ? 26.75520  -16.16622 13.93197  1.000 20.51722  ? 76  TRP A NE1 1 
ATOM   581  C CE2 . TRP A 1 76 ? 25.78657  -15.81411 13.02841  1.000 17.97034  ? 76  TRP A CE2 1 
ATOM   582  C CE3 . TRP A 1 76 ? 25.66893  -14.86415 10.81105  1.000 17.18475  ? 76  TRP A CE3 1 
ATOM   583  C CZ2 . TRP A 1 76 ? 24.39569  -15.89382 13.12151  1.000 18.62690  ? 76  TRP A CZ2 1 
ATOM   584  C CZ3 . TRP A 1 76 ? 24.29002  -14.95378 10.90085  1.000 21.57050  ? 76  TRP A CZ3 1 
ATOM   585  C CH2 . TRP A 1 76 ? 23.66898  -15.45740 12.04772  1.000 19.59244  ? 76  TRP A CH2 1 
ATOM   586  N N   . ASP A 1 77 ? 28.90367  -12.43778 13.55938  1.000 15.86109  ? 77  ASP A N   1 
ATOM   587  C CA  . ASP A 1 77 ? 29.17093  -12.12726 14.95245  1.000 16.21535  ? 77  ASP A CA  1 
ATOM   588  C C   . ASP A 1 77 ? 27.91006  -12.29231 15.78299  1.000 16.08155  ? 77  ASP A C   1 
ATOM   589  O O   . ASP A 1 77 ? 27.74707  -11.64381 16.82203  1.000 19.65516  ? 77  ASP A O   1 
ATOM   590  C CB  . ASP A 1 77 ? 29.75948  -10.72761 15.09484  1.000 19.09136  ? 77  ASP A CB  1 
ATOM   591  C CG  . ASP A 1 77 ? 31.03628  -10.55902 14.29471  1.000 17.12979  ? 77  ASP A CG  1 
ATOM   592  O OD1 . ASP A 1 77 ? 32.06371  -11.14546 14.68703  1.000 17.96005  ? 77  ASP A OD1 1 
ATOM   593  O OD2 . ASP A 1 77 ? 30.99812  -9.87765  13.24476  1.000 21.29449  ? 77  ASP A OD2 1 
ATOM   594  N N   . GLY A 1 78 ? 27.00518  -13.15601 15.33169  1.000 16.33314  ? 78  GLY A N   1 
ATOM   595  C CA  . GLY A 1 78 ? 25.80502  -13.50045 16.06249  1.000 18.69777  ? 78  GLY A CA  1 
ATOM   596  C C   . GLY A 1 78 ? 24.52320  -12.94388 15.47886  1.000 18.03089  ? 78  GLY A C   1 
ATOM   597  O O   . GLY A 1 78 ? 23.43968  -13.41120 15.86344  1.000 23.03932  ? 78  GLY A O   1 
ATOM   598  N N   . ASN A 1 79 ? 24.59967  -11.97301 14.57107  1.000 19.70288  ? 79  ASN A N   1 
ATOM   599  C CA  . ASN A 1 79 ? 23.39391  -11.27827 14.11720  1.000 16.66199  ? 79  ASN A CA  1 
ATOM   600  C C   . ASN A 1 79 ? 23.49141  -10.89212 12.64489  1.000 24.67029  ? 79  ASN A C   1 
ATOM   601  O O   . ASN A 1 79 ? 23.38218  -9.72648  12.26839  1.000 28.92010  ? 79  ASN A O   1 
ATOM   602  C CB  . ASN A 1 79 ? 23.11777  -10.04981 14.98254  1.000 27.32002  ? 79  ASN A CB  1 
ATOM   603  C CG  . ASN A 1 79 ? 22.83747  -10.39996 16.42563  1.000 28.34029  ? 79  ASN A CG  1 
ATOM   604  O OD1 . ASN A 1 79 ? 21.73283  -10.83412 16.77196  1.000 29.94159  ? 79  ASN A OD1 1 
ATOM   605  N ND2 . ASN A 1 79 ? 23.83938  -10.21483 17.28406  1.000 28.09537  ? 79  ASN A ND2 1 
ATOM   606  N N   . GLY A 1 80 ? 23.68439  -11.87653 11.78323  1.000 18.22503  ? 80  GLY A N   1 
ATOM   607  C CA  . GLY A 1 80 ? 23.69873  -11.62942 10.35790  1.000 17.40358  ? 80  GLY A CA  1 
ATOM   608  C C   . GLY A 1 80 ? 25.10534  -11.45180 9.80633   1.000 16.50445  ? 80  GLY A C   1 
ATOM   609  O O   . GLY A 1 80 ? 26.05044  -11.09758 10.51493  1.000 17.84841  ? 80  GLY A O   1 
ATOM   610  N N   . TRP A 1 81 ? 25.23363  -11.69318 8.50687   1.000 17.74847  ? 81  TRP A N   1 
ATOM   611  C CA  . TRP A 1 81 ? 26.51331  -11.58554 7.81856   1.000 17.83274  ? 81  TRP A CA  1 
ATOM   612  C C   . TRP A 1 81 ? 26.70787  -10.15746 7.32288   1.000 18.79388  ? 81  TRP A C   1 
ATOM   613  O O   . TRP A 1 81 ? 25.89010  -9.64786  6.54786   1.000 20.58234  ? 81  TRP A O   1 
ATOM   614  C CB  . TRP A 1 81 ? 26.53820  -12.54916 6.64106   1.000 15.96506  ? 81  TRP A CB  1 
ATOM   615  C CG  . TRP A 1 81 ? 26.65072  -13.97563 7.05139   1.000 16.06657  ? 81  TRP A CG  1 
ATOM   616  C CD1 . TRP A 1 81 ? 25.63021  -14.87113 7.22051   1.000 14.88075  ? 81  TRP A CD1 1 
ATOM   617  C CD2 . TRP A 1 81 ? 27.85929  -14.67673 7.36722   1.000 14.48705  ? 81  TRP A CD2 1 
ATOM   618  N NE1 . TRP A 1 81 ? 26.13525  -16.09285 7.61011   1.000 14.93603  ? 81  TRP A NE1 1 
ATOM   619  C CE2 . TRP A 1 81 ? 27.50018  -15.99894 7.69940   1.000 13.09719  ? 81  TRP A CE2 1 
ATOM   620  C CE3 . TRP A 1 81 ? 29.21167  -14.31777 7.38366   1.000 13.83666  ? 81  TRP A CE3 1 
ATOM   621  C CZ2 . TRP A 1 81 ? 28.44205  -16.96193 8.04748   1.000 14.50470  ? 81  TRP A CZ2 1 
ATOM   622  C CZ3 . TRP A 1 81 ? 30.14785  -15.28007 7.72494   1.000 13.81723  ? 81  TRP A CZ3 1 
ATOM   623  C CH2 . TRP A 1 81 ? 29.75824  -16.58420 8.04684   1.000 13.51944  ? 81  TRP A CH2 1 
ATOM   624  N N   . THR A 1 82 ? 27.79950  -9.52555  7.74623   1.000 16.49693  ? 82  THR A N   1 
ATOM   625  C CA  . THR A 1 82 ? 28.10955  -8.15004  7.39171   1.000 17.21860  ? 82  THR A CA  1 
ATOM   626  C C   . THR A 1 82 ? 29.45593  -8.08833  6.68541   1.000 18.19018  ? 82  THR A C   1 
ATOM   627  O O   . THR A 1 82 ? 30.34300  -8.91801  6.91937   1.000 16.31021  ? 82  THR A O   1 
ATOM   628  C CB  . THR A 1 82 ? 28.15203  -7.26010  8.64444   1.000 20.37352  ? 82  THR A CB  1 
ATOM   629  O OG1 . THR A 1 82 ? 29.21935  -7.68978  9.49978   1.000 22.86125  ? 82  THR A OG1 1 
ATOM   630  C CG2 . THR A 1 82 ? 26.83159  -7.34232  9.41645   1.000 22.90444  ? 82  THR A CG2 1 
ATOM   631  N N   . LYS A 1 83 ? 29.61365  -7.09141  5.82289   1.000 17.55566  ? 83  LYS A N   1 
ATOM   632  C CA  . LYS A 1 83 ? 30.86965  -6.93667  5.10469   1.000 16.92204  ? 83  LYS A CA  1 
ATOM   633  C C   . LYS A 1 83 ? 31.95909  -6.41956  6.04022   1.000 17.52593  ? 83  LYS A C   1 
ATOM   634  O O   . LYS A 1 83 ? 31.75624  -5.45714  6.78785   1.000 20.03252  ? 83  LYS A O   1 
ATOM   635  C CB  . LYS A 1 83 ? 30.68769  -6.00486  3.90559   1.000 18.84267  ? 83  LYS A CB  1 
ATOM   636  C CG  . LYS A 1 83 ? 31.84178  -6.07948  2.90876   1.000 24.25948  ? 83  LYS A CG  1 
ATOM   637  C CD  . LYS A 1 83 ? 31.69581  -5.07068  1.77789   1.000 26.51190  ? 83  LYS A CD  1 
ATOM   638  C CE  . LYS A 1 83 ? 30.67670  -5.51579  0.74661   1.000 30.84436  ? 83  LYS A CE  1 
ATOM   639  N NZ  . LYS A 1 83 ? 30.62909  -4.54810  -0.38919  1.000 34.00218  ? 83  LYS A NZ  1 
ATOM   640  N N   . GLY A 1 84 ? 33.12456  -7.06955  6.00656   1.000 16.71607  ? 84  GLY A N   1 
ATOM   641  C CA  . GLY A 1 84 ? 34.22142  -6.68713  6.86836   1.000 17.51269  ? 84  GLY A CA  1 
ATOM   642  C C   . GLY A 1 84 ? 35.16259  -5.68938  6.22246   1.000 15.97231  ? 84  GLY A C   1 
ATOM   643  O O   . GLY A 1 84 ? 35.07376  -5.38332  5.03441   1.000 17.68030  ? 84  GLY A O   1 
ATOM   644  N N   . ALA A 1 85 ? 36.09840  -5.20124  7.03197   1.000 16.53131  ? 85  ALA A N   1 
ATOM   645  C CA  . ALA A 1 85 ? 37.01284  -4.15100  6.60710   1.000 16.78413  ? 85  ALA A CA  1 
ATOM   646  C C   . ALA A 1 85 ? 38.19346  -4.65869  5.78702   1.000 16.25510  ? 85  ALA A C   1 
ATOM   647  O O   . ALA A 1 85 ? 38.98736  -3.83836  5.31084   1.000 17.71297  ? 85  ALA A O   1 
ATOM   648  C CB  . ALA A 1 85 ? 37.53090  -3.39604  7.83110   1.000 20.24158  ? 85  ALA A CB  1 
ATOM   649  N N   . TYR A 1 86 ? 38.34430  -5.97623  5.63049   1.000 15.83371  ? 86  TYR A N   1 
ATOM   650  C CA  . TYR A 1 86 ? 39.48774  -6.52518  4.91458   1.000 14.17369  ? 86  TYR A CA  1 
ATOM   651  C C   . TYR A 1 86 ? 39.64188  -5.87568  3.55083   1.000 16.79853  ? 86  TYR A C   1 
ATOM   652  O O   . TYR A 1 86 ? 38.67165  -5.73267  2.80357   1.000 16.86578  ? 86  TYR A O   1 
ATOM   653  C CB  . TYR A 1 86 ? 39.31897  -8.03200  4.72763   1.000 15.68665  ? 86  TYR A CB  1 
ATOM   654  C CG  . TYR A 1 86 ? 40.42643  -8.64622  3.91696   1.000 13.37291  ? 86  TYR A CG  1 
ATOM   655  C CD1 . TYR A 1 86 ? 41.59075  -9.09198  4.51969   1.000 14.46778  ? 86  TYR A CD1 1 
ATOM   656  C CD2 . TYR A 1 86 ? 40.32750  -8.75774  2.53960   1.000 15.39122  ? 86  TYR A CD2 1 
ATOM   657  C CE1 . TYR A 1 86 ? 42.60984  -9.65061  3.78500   1.000 15.13428  ? 86  TYR A CE1 1 
ATOM   658  C CE2 . TYR A 1 86 ? 41.35716  -9.30436  1.79232   1.000 15.94806  ? 86  TYR A CE2 1 
ATOM   659  C CZ  . TYR A 1 86 ? 42.49251  -9.74617  2.42146   1.000 15.27728  ? 86  TYR A CZ  1 
ATOM   660  O OH  . TYR A 1 86 ? 43.51931  -10.29963 1.69547   1.000 17.29118  ? 86  TYR A OH  1 
ATOM   661  N N   . THR A 1 87 ? 40.87757  -5.49308  3.23788   1.000 16.64453  ? 87  THR A N   1 
ATOM   662  C CA  . THR A 1 87 ? 41.30042  -5.11578  1.89733   1.000 18.76820  ? 87  THR A CA  1 
ATOM   663  C C   . THR A 1 87 ? 42.64036  -5.78278  1.62331   1.000 17.97532  ? 87  THR A C   1 
ATOM   664  O O   . THR A 1 87 ? 43.39529  -6.09978  2.54777   1.000 18.59965  ? 87  THR A O   1 
ATOM   665  C CB  . THR A 1 87 ? 41.45383  -3.58892  1.73837   1.000 20.65383  ? 87  THR A CB  1 
ATOM   666  O OG1 . THR A 1 87 ? 42.40125  -3.09765  2.69454   1.000 23.91427  ? 87  THR A OG1 1 
ATOM   667  C CG2 . THR A 1 87 ? 40.12851  -2.88255  1.94247   1.000 22.72734  ? 87  THR A CG2 1 
ATOM   668  N N   . ALA A 1 88 ? 42.93385  -5.98900  0.34110   1.000 23.88050  ? 88  ALA A N   1 
ATOM   669  C CA  . ALA A 1 88 ? 44.19296  -6.60593  -0.04412  1.000 23.27474  ? 88  ALA A CA  1 
ATOM   670  C C   . ALA A 1 88 ? 45.32894  -5.58889  0.00180   1.000 29.88747  ? 88  ALA A C   1 
ATOM   671  O O   . ALA A 1 88 ? 45.12307  -4.39038  0.20775   1.000 57.21667  ? 88  ALA A O   1 
ATOM   672  C CB  . ALA A 1 88 ? 44.08368  -7.22863  -1.43534  1.000 32.55836  ? 88  ALA A CB  1 
ATOM   673  N N   . THR A 1 89 ? 46.55105  -6.08951  -0.20092  1.000 42.04300  ? 89  THR A N   1 
ATOM   674  C CA  . THR A 1 89 ? 47.72854  -5.23062  -0.29567  0.000 50.39316  ? 89  THR A CA  1 
ATOM   675  C C   . THR A 1 89 ? 47.58550  -4.17009  -1.38405  0.000 56.33314  ? 89  THR A C   1 
ATOM   676  O O   . THR A 1 89 ? 48.34000  -3.18955  -1.37883  0.000 63.60294  ? 89  THR A O   1 
ATOM   677  C CB  . THR A 1 89 ? 48.97692  -6.09944  -0.51172  0.000 51.60333  ? 89  THR A CB  1 
ATOM   678  O OG1 . THR A 1 89 ? 49.00375  -7.14677  0.46689   0.000 56.35303  ? 89  THR A OG1 1 
ATOM   679  C CG2 . THR A 1 89 ? 50.25377  -5.27953  -0.37697  0.000 52.39316  ? 89  THR A CG2 1 
ATOM   680  N N   . ASN A 1 90 ? 46.62948  -4.33814  -2.29687  0.000 53.69314  ? 90  ASN A N   1 
ATOM   681  C CA  . ASN A 1 90 ? 46.30729  -3.34430  -3.31792  0.000 49.54341  ? 90  ASN A CA  1 
ATOM   682  C C   . ASN A 1 90 ? 47.48283  -3.09412  -4.25842  0.000 54.04337  ? 90  ASN A C   1 
ATOM   683  O O   . ASN A 1 90 ? 47.52016  -3.63154  -5.36690  0.000 64.03285  ? 90  ASN A O   1 
ATOM   684  C CB  . ASN A 1 90 ? 45.83410  -2.03124  -2.67919  0.000 47.60385  ? 90  ASN A CB  1 
ATOM   685  C CG  . ASN A 1 90 ? 45.07240  -1.15105  -3.65086  0.000 65.42229  ? 90  ASN A CG  1 
ATOM   686  O OD1 . ASN A 1 90 ? 43.86358  -1.30507  -3.82739  0.000 59.11340  ? 90  ASN A OD1 1 
ATOM   687  N ND2 . ASN A 1 90 ? 45.77519  -0.21802  -4.28296  0.000 62.97327  ? 90  ASN A ND2 1 
ATOM   688  N N   . SER B 1 1  ? -0.75442  -5.27527  38.85862  0.000 57.62282  ? 1   SER B N   1 
ATOM   689  C CA  . SER B 1 1  ? -0.70786  -6.69522  39.18357  0.000 46.86404  ? 1   SER B CA  1 
ATOM   690  C C   . SER B 1 1  ? -0.89896  -7.54097  37.93134  0.000 53.36249  ? 1   SER B C   1 
ATOM   691  O O   . SER B 1 1  ? -0.27864  -8.59374  37.78081  0.000 63.44285  ? 1   SER B O   1 
ATOM   692  C CB  . SER B 1 1  ? -1.78128  -7.04452  40.21532  0.000 54.78317  ? 1   SER B CB  1 
ATOM   693  O OG  . SER B 1 1  ? -3.07969  -6.81976  39.69390  0.000 62.18294  ? 1   SER B OG  1 
ATOM   694  N N   . SER B 1 2  ? -1.76279  -7.07540  37.03418  1.000 29.22199  ? 2   SER B N   1 
ATOM   695  C CA  . SER B 1 2  ? -2.02818  -7.81361  35.81038  1.000 22.73851  ? 2   SER B CA  1 
ATOM   696  C C   . SER B 1 2  ? -0.86346  -7.67936  34.83554  1.000 18.58444  ? 2   SER B C   1 
ATOM   697  O O   . SER B 1 2  ? -0.15523  -6.67069  34.80840  1.000 20.49345  ? 2   SER B O   1 
ATOM   698  C CB  . SER B 1 2  ? -3.30544  -7.30006  35.14715  1.000 30.55150  ? 2   SER B CB  1 
ATOM   699  O OG  . SER B 1 2  ? -4.43772  -7.53406  35.97214  1.000 35.13801  ? 2   SER B OG  1 
ATOM   700  N N   . VAL B 1 3  ? -0.67670  -8.71813  34.01963  1.000 16.99436  ? 3   VAL B N   1 
ATOM   701  C CA  . VAL B 1 3  ? 0.31377   -8.62832  32.95549  1.000 16.47180  ? 3   VAL B CA  1 
ATOM   702  C C   . VAL B 1 3  ? -0.07447  -7.51174  31.98480  1.000 14.51475  ? 3   VAL B C   1 
ATOM   703  O O   . VAL B 1 3  ? -1.22955  -7.07146  31.92222  1.000 16.63681  ? 3   VAL B O   1 
ATOM   704  C CB  . VAL B 1 3  ? 0.53174   -9.96632  32.23000  1.000 16.29341  ? 3   VAL B CB  1 
ATOM   705  C CG1 . VAL B 1 3  ? 1.01501   -11.04934 33.21166  1.000 17.67234  ? 3   VAL B CG1 1 
ATOM   706  C CG2 . VAL B 1 3  ? -0.73211  -10.40955 31.50652  1.000 17.34014  ? 3   VAL B CG2 1 
ATOM   707  N N   . GLN B 1 4  ? 0.91726   -7.03442  31.24224  1.000 15.00273  ? 4   GLN B N   1 
ATOM   708  C CA  . GLN B 1 4  ? 0.73090   -5.94403  30.29450  1.000 13.97967  ? 4   GLN B CA  1 
ATOM   709  C C   . GLN B 1 4  ? 1.21194   -6.39286  28.92164  1.000 14.16840  ? 4   GLN B C   1 
ATOM   710  O O   . GLN B 1 4  ? 2.26936   -7.02545  28.80000  1.000 15.05344  ? 4   GLN B O   1 
ATOM   711  C CB  . GLN B 1 4  ? 1.50646   -4.71324  30.76453  1.000 15.75906  ? 4   GLN B CB  1 
ATOM   712  C CG  . GLN B 1 4  ? 1.23690   -3.44342  29.97395  1.000 21.28382  ? 4   GLN B CG  1 
ATOM   713  C CD  . GLN B 1 4  ? 2.33825   -3.16906  28.97061  1.000 25.02732  ? 4   GLN B CD  1 
ATOM   714  O OE1 . GLN B 1 4  ? 3.50105   -3.47346  29.23004  1.000 20.42895  ? 4   GLN B OE1 1 
ATOM   715  N NE2 . GLN B 1 4  ? 1.98390   -2.60091  27.82509  1.000 26.29018  ? 4   GLN B NE2 1 
ATOM   716  N N   . THR B 1 5  ? 0.43202   -6.08925  27.88236  1.000 12.48622  ? 5   THR B N   1 
ATOM   717  C CA  . THR B 1 5  ? 0.75890   -6.58247  26.55392  1.000 11.49505  ? 5   THR B CA  1 
ATOM   718  C C   . THR B 1 5  ? 0.89284   -5.46155  25.53512  1.000 12.81792  ? 5   THR B C   1 
ATOM   719  O O   . THR B 1 5  ? 0.39879   -4.34915  25.71949  1.000 12.36234  ? 5   THR B O   1 
ATOM   720  C CB  . THR B 1 5  ? -0.24644  -7.62346  26.02126  1.000 12.86702  ? 5   THR B CB  1 
ATOM   721  O OG1 . THR B 1 5  ? -1.50088  -6.99688  25.70493  1.000 13.80494  ? 5   THR B OG1 1 
ATOM   722  C CG2 . THR B 1 5  ? -0.46132  -8.75857  27.02401  1.000 14.45372  ? 5   THR B CG2 1 
ATOM   723  N N   . ALA B 1 6  ? 1.53216   -5.81043  24.42128  1.000 11.37198  ? 6   ALA B N   1 
ATOM   724  C CA  . ALA B 1 6  ? 1.63333   -4.96471  23.23953  1.000 10.59547  ? 6   ALA B CA  1 
ATOM   725  C C   . ALA B 1 6  ? 1.55411   -5.87768  22.02651  1.000 12.47966  ? 6   ALA B C   1 
ATOM   726  O O   . ALA B 1 6  ? 2.04198   -7.00926  22.07018  1.000 12.96016  ? 6   ALA B O   1 
ATOM   727  C CB  . ALA B 1 6  ? 2.97020   -4.22535  23.23065  1.000 13.35055  ? 6   ALA B CB  1 
ATOM   728  N N   . ALA B 1 7  ? 0.92803   -5.41152  20.94926  1.000 10.77161  ? 7   ALA B N   1 
ATOM   729  C CA  . ALA B 1 7  ? 0.68375   -6.24757  19.77610  1.000 10.73309  ? 7   ALA B CA  1 
ATOM   730  C C   . ALA B 1 7  ? 0.99397   -5.48929  18.49321  1.000 10.67670  ? 7   ALA B C   1 
ATOM   731  O O   . ALA B 1 7  ? 0.78589   -4.27200  18.39668  1.000 11.92450  ? 7   ALA B O   1 
ATOM   732  C CB  . ALA B 1 7  ? -0.76332  -6.73691  19.73184  1.000 12.70866  ? 7   ALA B CB  1 
ATOM   733  N N   . THR B 1 8  ? 1.48748   -6.22026  17.49386  1.000 11.02041  ? 8   THR B N   1 
ATOM   734  C CA  . THR B 1 8  ? 1.70914   -5.66831  16.16277  1.000 11.60983  ? 8   THR B CA  1 
ATOM   735  C C   . THR B 1 8  ? 1.37484   -6.74482  15.13588  1.000 10.46246  ? 8   THR B C   1 
ATOM   736  O O   . THR B 1 8  ? 1.34672   -7.94072  15.45430  1.000 11.65602  ? 8   THR B O   1 
ATOM   737  C CB  . THR B 1 8  ? 3.14461   -5.12102  15.99865  1.000 11.09685  ? 8   THR B CB  1 
ATOM   738  O OG1 . THR B 1 8  ? 3.23571   -4.34590  14.79106  1.000 12.95817  ? 8   THR B OG1 1 
ATOM   739  C CG2 . THR B 1 8  ? 4.17456   -6.22903  15.93203  1.000 12.33308  ? 8   THR B CG2 1 
ATOM   740  N N   . SER B 1 9  ? 1.12489   -6.32084  13.89828  1.000 11.47500  ? 9   SER B N   1 
ATOM   741  C CA  . SER B 1 9  ? 0.76986   -7.26364  12.84367  1.000 11.75395  ? 9   SER B CA  1 
ATOM   742  C C   . SER B 1 9  ? 1.20114   -6.71491  11.49513  1.000 11.78388  ? 9   SER B C   1 
ATOM   743  O O   . SER B 1 9  ? 1.35895   -5.50511  11.32787  1.000 12.42517  ? 9   SER B O   1 
ATOM   744  C CB  . SER B 1 9  ? -0.73133  -7.55987  12.82785  1.000 12.29352  ? 9   SER B CB  1 
ATOM   745  O OG  . SER B 1 9  ? -1.52192  -6.39674  12.58316  1.000 12.36973  ? 9   SER B OG  1 
ATOM   746  N N   . TRP B 1 10 ? 1.37438   -7.61593  10.52421  1.000 12.67653  ? 10  TRP B N   1 
ATOM   747  C CA  . TRP B 1 10 ? 1.75399   -7.20199  9.17895   1.000 12.83975  ? 10  TRP B CA  1 
ATOM   748  C C   . TRP B 1 10 ? 1.25338   -8.20329  8.15304   1.000 12.56608  ? 10  TRP B C   1 
ATOM   749  O O   . TRP B 1 10 ? 1.00911   -9.37402  8.44951   1.000 13.36334  ? 10  TRP B O   1 
ATOM   750  C CB  . TRP B 1 10 ? 3.26437   -7.00533  9.04591   1.000 13.43057  ? 10  TRP B CB  1 
ATOM   751  C CG  . TRP B 1 10 ? 4.11657   -8.23480  9.22969   1.000 12.50801  ? 10  TRP B CG  1 
ATOM   752  C CD1 . TRP B 1 10 ? 4.55400   -9.09369  8.25544   1.000 14.86178  ? 10  TRP B CD1 1 
ATOM   753  C CD2 . TRP B 1 10 ? 4.67760   -8.71639  10.45797  1.000 13.68151  ? 10  TRP B CD2 1 
ATOM   754  N NE1 . TRP B 1 10 ? 5.34825   -10.06920 8.80271   1.000 14.48995  ? 10  TRP B NE1 1 
ATOM   755  C CE2 . TRP B 1 10 ? 5.44404   -9.86057  10.15265  1.000 14.09484  ? 10  TRP B CE2 1 
ATOM   756  C CE3 . TRP B 1 10 ? 4.62175   -8.28217  11.78808  1.000 13.99073  ? 10  TRP B CE3 1 
ATOM   757  C CZ2 . TRP B 1 10 ? 6.12459   -10.59192 11.13275  1.000 13.50540  ? 10  TRP B CZ2 1 
ATOM   758  C CZ3 . TRP B 1 10 ? 5.30511   -9.00699  12.75696  1.000 13.57312  ? 10  TRP B CZ3 1 
ATOM   759  C CH2 . TRP B 1 10 ? 6.04286   -10.15039 12.42406  1.000 14.49369  ? 10  TRP B CH2 1 
ATOM   760  N N   . GLY B 1 11 ? 1.14811   -7.72802  6.92461   1.000 14.10082  ? 11  GLY B N   1 
ATOM   761  C CA  . GLY B 1 11 ? 0.69406   -8.55281  5.82379   1.000 15.56607  ? 11  GLY B CA  1 
ATOM   762  C C   . GLY B 1 11 ? -0.79734  -8.82101  5.88742   1.000 15.49762  ? 11  GLY B C   1 
ATOM   763  O O   . GLY B 1 11 ? -1.55644  -8.18484  6.62350   1.000 18.74736  ? 11  GLY B O   1 
ATOM   764  N N   . THR B 1 12 ? -1.21440  -9.79286  5.08218   1.000 17.25859  ? 12  THR B N   1 
ATOM   765  C CA  . THR B 1 12 ? -2.62663  -10.11379 4.96774   1.000 17.74950  ? 12  THR B CA  1 
ATOM   766  C C   . THR B 1 12 ? -3.00163  -11.46696 5.54473   1.000 16.23568  ? 12  THR B C   1 
ATOM   767  O O   . THR B 1 12 ? -4.19863  -11.74250 5.67383   1.000 19.39088  ? 12  THR B O   1 
ATOM   768  C CB  . THR B 1 12 ? -3.07991  -10.06799 3.50115   1.000 23.26271  ? 12  THR B CB  1 
ATOM   769  O OG1 . THR B 1 12 ? -2.28785  -10.98090 2.73762   1.000 22.49408  ? 12  THR B OG1 1 
ATOM   770  C CG2 . THR B 1 12 ? -2.93384  -8.66453  2.92867   1.000 27.47680  ? 12  THR B CG2 1 
ATOM   771  N N   . VAL B 1 13 ? -2.03295  -12.32730 5.86299   1.000 14.89889  ? 13  VAL B N   1 
ATOM   772  C CA  . VAL B 1 13 ? -2.37166  -13.62181 6.45866   1.000 14.95832  ? 13  VAL B CA  1 
ATOM   773  C C   . VAL B 1 13 ? -3.13630  -13.48322 7.77168   1.000 15.30256  ? 13  VAL B C   1 
ATOM   774  O O   . VAL B 1 13 ? -4.19043  -14.12315 7.91624   1.000 14.78108  ? 13  VAL B O   1 
ATOM   775  C CB  . VAL B 1 13 ? -1.12707  -14.52355 6.54294   1.000 17.10413  ? 13  VAL B CB  1 
ATOM   776  C CG1 . VAL B 1 13 ? -1.46564  -15.82257 7.27803   1.000 17.38472  ? 13  VAL B CG1 1 
ATOM   777  C CG2 . VAL B 1 13 ? -0.58922  -14.81313 5.13927   1.000 18.53565  ? 13  VAL B CG2 1 
ATOM   778  N N   . PRO B 1 14 ? -2.69010  -12.68864 8.75603   1.000 13.68336  ? 14  PRO B N   1 
ATOM   779  C CA  . PRO B 1 14 ? -1.45983  -11.90074 8.82571   1.000 12.70180  ? 14  PRO B CA  1 
ATOM   780  C C   . PRO B 1 14 ? -0.43331  -12.62326 9.66712   1.000 12.78404  ? 14  PRO B C   1 
ATOM   781  O O   . PRO B 1 14 ? -0.66867  -13.74170 10.14237  1.000 13.86984  ? 14  PRO B O   1 
ATOM   782  C CB  . PRO B 1 14 ? -1.92799  -10.67658 9.60585   1.000 14.81288  ? 14  PRO B CB  1 
ATOM   783  C CG  . PRO B 1 14 ? -2.81125  -11.30608 10.66901  1.000 15.06995  ? 14  PRO B CG  1 
ATOM   784  C CD  . PRO B 1 14 ? -3.52388  -12.45492 9.94994   1.000 14.51699  ? 14  PRO B CD  1 
ATOM   785  N N   . SER B 1 15 ? 0.71974   -11.99204 9.87150   1.000 12.03374  ? 15  SER B N   1 
ATOM   786  C CA  . SER B 1 15 ? 1.55742   -12.31755 11.01799  1.000 12.51739  ? 15  SER B CA  1 
ATOM   787  C C   . SER B 1 15 ? 1.20079   -11.38142 12.16415  1.000 12.31657  ? 15  SER B C   1 
ATOM   788  O O   . SER B 1 15 ? 0.94463   -10.19352 11.94452  1.000 12.62721  ? 15  SER B O   1 
ATOM   789  C CB  . SER B 1 15 ? 3.03821   -12.14962 10.68961  1.000 13.07918  ? 15  SER B CB  1 
ATOM   790  O OG  . SER B 1 15 ? 3.50821   -13.20195 9.85252   1.000 15.84615  ? 15  SER B OG  1 
ATOM   791  N N   . ILE B 1 16 ? 1.18261   -11.92375 13.38460  1.000 12.30686  ? 16  ILE B N   1 
ATOM   792  C CA  . ILE B 1 16 ? 0.92136   -11.16259 14.60169  1.000 10.91831  ? 16  ILE B CA  1 
ATOM   793  C C   . ILE B 1 16 ? 2.04026   -11.48565 15.57998  1.000 12.13806  ? 16  ILE B C   1 
ATOM   794  O O   . ILE B 1 16 ? 2.50005   -12.63411 15.64371  1.000 11.87133  ? 16  ILE B O   1 
ATOM   795  C CB  . ILE B 1 16 ? -0.44084  -11.52699 15.23857  1.000 12.00340  ? 16  ILE B CB  1 
ATOM   796  C CG1 . ILE B 1 16 ? -1.57106  -11.49859 14.20298  1.000 13.79792  ? 16  ILE B CG1 1 
ATOM   797  C CG2 . ILE B 1 16 ? -0.75274  -10.60528 16.42871  1.000 13.19415  ? 16  ILE B CG2 1 
ATOM   798  C CD1 . ILE B 1 16 ? -2.86606  -12.09909 14.71056  1.000 14.00670  ? 16  ILE B CD1 1 
ATOM   799  N N   . ARG B 1 17 ? 2.48192   -10.48223 16.34103  1.000 11.00251  ? 17  ARG B N   1 
ATOM   800  C CA  . ARG B 1 17 ? 3.35700   -10.70479 17.48758  1.000 11.91390  ? 17  ARG B CA  1 
ATOM   801  C C   . ARG B 1 17 ? 2.75032   -10.01911 18.69812  1.000 11.99853  ? 17  ARG B C   1 
ATOM   802  O O   . ARG B 1 17 ? 2.34675   -8.85301  18.61603  1.000 12.63683  ? 17  ARG B O   1 
ATOM   803  C CB  . ARG B 1 17 ? 4.75621   -10.15480 17.22120  1.000 12.59236  ? 17  ARG B CB  1 
ATOM   804  C CG  . ARG B 1 17 ? 5.45577   -10.76088 16.00453  1.000 12.28190  ? 17  ARG B CG  1 
ATOM   805  C CD  . ARG B 1 17 ? 5.82973   -12.22171 16.24479  1.000 12.58951  ? 17  ARG B CD  1 
ATOM   806  N NE  . ARG B 1 17 ? 6.58236   -12.81286 15.14312  1.000 14.28820  ? 17  ARG B NE  1 
ATOM   807  C CZ  . ARG B 1 17 ? 6.03361   -13.43450 14.10978  1.000 12.04765  ? 17  ARG B CZ  1 
ATOM   808  N NH1 . ARG B 1 17 ? 4.71916   -13.56268 13.99511  1.000 13.54525  ? 17  ARG B NH1 1 
ATOM   809  N NH2 . ARG B 1 17 ? 6.82347   -13.93991 13.16804  1.000 15.13291  ? 17  ARG B NH2 1 
ATOM   810  N N   . VAL B 1 18 ? 2.66709   -10.74808 19.80570  1.000 11.19592  ? 18  VAL B N   1 
ATOM   811  C CA  . VAL B 1 18 ? 2.12115   -10.24208 21.06076  1.000 11.94601  ? 18  VAL B CA  1 
ATOM   812  C C   . VAL B 1 18 ? 3.20181   -10.38082 22.12296  1.000 12.18744  ? 18  VAL B C   1 
ATOM   813  O O   . VAL B 1 18 ? 3.71300   -11.48649 22.35704  1.000 12.70219  ? 18  VAL B O   1 
ATOM   814  C CB  . VAL B 1 18 ? 0.85388   -11.00106 21.48035  1.000 11.76015  ? 18  VAL B CB  1 
ATOM   815  C CG1 . VAL B 1 18 ? 0.31542   -10.44811 22.78307  1.000 14.07780  ? 18  VAL B CG1 1 
ATOM   816  C CG2 . VAL B 1 18 ? -0.20050  -10.93988 20.38294  1.000 13.37460  ? 18  VAL B CG2 1 
ATOM   817  N N   . TYR B 1 19 ? 3.55661   -9.26482  22.74834  1.000 11.08406  ? 19  TYR B N   1 
ATOM   818  C CA  . TYR B 1 19 ? 4.58818   -9.18883  23.77842  1.000 12.06013  ? 19  TYR B CA  1 
ATOM   819  C C   . TYR B 1 19 ? 3.90249   -9.03402  25.12346  1.000 11.60811  ? 19  TYR B C   1 
ATOM   820  O O   . TYR B 1 19 ? 2.97831   -8.22397  25.25395  1.000 12.43854  ? 19  TYR B O   1 
ATOM   821  C CB  . TYR B 1 19 ? 5.52194   -7.99396  23.51213  1.000 12.48504  ? 19  TYR B CB  1 
ATOM   822  C CG  . TYR B 1 19 ? 6.16417   -8.15786  22.16748  1.000 11.35041  ? 19  TYR B CG  1 
ATOM   823  C CD1 . TYR B 1 19 ? 7.35823   -8.85664  22.02565  1.000 13.04223  ? 19  TYR B CD1 1 
ATOM   824  C CD2 . TYR B 1 19 ? 5.53116   -7.70615  21.01360  1.000 11.52307  ? 19  TYR B CD2 1 
ATOM   825  C CE1 . TYR B 1 19 ? 7.91037   -9.08034  20.77979  1.000 12.81699  ? 19  TYR B CE1 1 
ATOM   826  C CE2 . TYR B 1 19 ? 6.07990   -7.92372  19.76190  1.000 11.74998  ? 19  TYR B CE2 1 
ATOM   827  C CZ  . TYR B 1 19 ? 7.26721   -8.61319  19.65642  1.000 12.66747  ? 19  TYR B CZ  1 
ATOM   828  O OH  . TYR B 1 19 ? 7.77981   -8.84146  18.40552  1.000 13.31065  ? 19  TYR B OH  1 
ATOM   829  N N   . THR B 1 20 ? 4.33757   -9.81679  26.11530  1.000 12.41967  ? 20  THR B N   1 
ATOM   830  C CA  . THR B 1 20 ? 3.72794   -9.79697  27.44362  1.000 12.99068  ? 20  THR B CA  1 
ATOM   831  C C   . THR B 1 20 ? 4.78929   -9.53912  28.49681  1.000 13.32750  ? 20  THR B C   1 
ATOM   832  O O   . THR B 1 20 ? 5.76041   -10.30011 28.59018  1.000 13.73389  ? 20  THR B O   1 
ATOM   833  C CB  . THR B 1 20 ? 3.03363   -11.12587 27.74803  1.000 13.54592  ? 20  THR B CB  1 
ATOM   834  O OG1 . THR B 1 20 ? 1.99635   -11.34630 26.79057  1.000 15.31108  ? 20  THR B OG1 1 
ATOM   835  C CG2 . THR B 1 20 ? 2.42461   -11.10645 29.14613  1.000 15.84326  ? 20  THR B CG2 1 
ATOM   836  N N   . ALA B 1 21 ? 4.59005   -8.48842  29.29084  1.000 13.18626  ? 21  ALA B N   1 
ATOM   837  C CA  . ALA B 1 21 ? 5.41260   -8.23140  30.46846  1.000 13.37716  ? 21  ALA B CA  1 
ATOM   838  C C   . ALA B 1 21 ? 4.75505   -8.88983  31.67648  1.000 14.10532  ? 21  ALA B C   1 
ATOM   839  O O   . ALA B 1 21 ? 3.62330   -8.54874  32.04383  1.000 14.83799  ? 21  ALA B O   1 
ATOM   840  C CB  . ALA B 1 21 ? 5.56004   -6.72874  30.69020  1.000 15.73748  ? 21  ALA B CB  1 
ATOM   841  N N   . ASN B 1 22 ? 5.45400   -9.85500  32.26249  1.000 15.41167  ? 22  ASN B N   1 
ATOM   842  C CA  . ASN B 1 22 ? 4.92990   -10.65650 33.36498  1.000 16.09138  ? 22  ASN B CA  1 
ATOM   843  C C   . ASN B 1 22 ? 6.04213   -10.77983 34.39719  1.000 14.85947  ? 22  ASN B C   1 
ATOM   844  O O   . ASN B 1 22 ? 7.06517   -11.41539 34.13193  1.000 14.07403  ? 22  ASN B O   1 
ATOM   845  C CB  . ASN B 1 22 ? 4.52097   -12.03126 32.83696  1.000 17.37223  ? 22  ASN B CB  1 
ATOM   846  C CG  . ASN B 1 22 ? 3.93252   -12.93312 33.90843  1.000 21.51383  ? 22  ASN B CG  1 
ATOM   847  O OD1 . ASN B 1 22 ? 3.83639   -12.55997 35.07422  1.000 22.06975  ? 22  ASN B OD1 1 
ATOM   848  N ND2 . ASN B 1 22 ? 3.52094   -14.12756 33.50879  1.000 22.85796  ? 22  ASN B ND2 1 
ATOM   849  N N   . ASN B 1 23 ? 5.84939   -10.15582 35.55978  1.000 16.89340  ? 23  ASN B N   1 
ATOM   850  C CA  . ASN B 1 23 ? 6.79224   -10.27137 36.67535  1.000 17.12702  ? 23  ASN B CA  1 
ATOM   851  C C   . ASN B 1 23 ? 8.21041   -9.88070  36.25793  1.000 17.87892  ? 23  ASN B C   1 
ATOM   852  O O   . ASN B 1 23 ? 9.19763   -10.51465 36.63640  1.000 18.72096  ? 23  ASN B O   1 
ATOM   853  C CB  . ASN B 1 23 ? 6.74435   -11.66913 37.30224  1.000 19.63963  ? 23  ASN B CB  1 
ATOM   854  C CG  . ASN B 1 23 ? 7.42332   -11.72461 38.66145  1.000 21.99883  ? 23  ASN B CG  1 
ATOM   855  O OD1 . ASN B 1 23 ? 7.42970   -10.74523 39.40080  1.000 26.44825  ? 23  ASN B OD1 1 
ATOM   856  N ND2 . ASN B 1 23 ? 8.00597   -12.86982 38.98213  1.000 32.46464  ? 23  ASN B ND2 1 
ATOM   857  N N   . GLY B 1 24 ? 8.30845   -8.83903  35.43428  1.000 16.40651  ? 24  GLY B N   1 
ATOM   858  C CA  . GLY B 1 24 ? 9.58577   -8.27312  35.06301  1.000 15.62676  ? 24  GLY B CA  1 
ATOM   859  C C   . GLY B 1 24 ? 10.23790  -8.87801  33.84231  1.000 14.58723  ? 24  GLY B C   1 
ATOM   860  O O   . GLY B 1 24 ? 11.35244  -8.47298  33.49926  1.000 16.63937  ? 24  GLY B O   1 
ATOM   861  N N   . LYS B 1 25 ? 9.60245   -9.84845  33.19688  1.000 14.45463  ? 25  LYS B N   1 
ATOM   862  C CA  . LYS B 1 25 ? 10.12943  -10.46460 31.98519  1.000 14.62776  ? 25  LYS B CA  1 
ATOM   863  C C   . LYS B 1 25 ? 9.13826   -10.27250 30.84664  1.000 13.89652  ? 25  LYS B C   1 
ATOM   864  O O   . LYS B 1 25 ? 7.94289   -10.53423 31.00925  1.000 15.07616  ? 25  LYS B O   1 
ATOM   865  C CB  . LYS B 1 25 ? 10.35953  -11.96457 32.19058  1.000 15.01223  ? 25  LYS B CB  1 
ATOM   866  C CG  . LYS B 1 25 ? 10.98972  -12.65714 31.00188  1.000 16.69155  ? 25  LYS B CG  1 
ATOM   867  C CD  . LYS B 1 25 ? 11.12933  -14.14959 31.22928  1.000 17.39420  ? 25  LYS B CD  1 
ATOM   868  C CE  . LYS B 1 25 ? 11.83524  -14.80313 30.05430  1.000 23.41446  ? 25  LYS B CE  1 
ATOM   869  N NZ  . LYS B 1 25 ? 11.88802  -16.28539 30.19273  1.000 57.91908  ? 25  LYS B NZ  1 
ATOM   870  N N   . ILE B 1 26 ? 9.63584   -9.84530  29.69129  1.000 13.34469  ? 26  ILE B N   1 
ATOM   871  C CA  . ILE B 1 26 ? 8.82100   -9.72726  28.48625  1.000 12.98630  ? 26  ILE B CA  1 
ATOM   872  C C   . ILE B 1 26 ? 9.12940   -10.90435 27.58060  1.000 12.49564  ? 26  ILE B C   1 
ATOM   873  O O   . ILE B 1 26 ? 10.29685  -11.14724 27.23795  1.000 14.14928  ? 26  ILE B O   1 
ATOM   874  C CB  . ILE B 1 26 ? 9.08543   -8.39928  27.75950  1.000 14.04844  ? 26  ILE B CB  1 
ATOM   875  C CG1 . ILE B 1 26 ? 8.77232   -7.19990  28.65719  1.000 14.66784  ? 26  ILE B CG1 1 
ATOM   876  C CG2 . ILE B 1 26 ? 8.24845   -8.33714  26.48172  1.000 13.85803  ? 26  ILE B CG2 1 
ATOM   877  C CD1 . ILE B 1 26 ? 9.43280   -5.92640  28.18470  1.000 15.80266  ? 26  ILE B CD1 1 
ATOM   878  N N   . THR B 1 27 ? 8.08473   -11.61412 27.16633  1.000 13.35071  ? 27  THR B N   1 
ATOM   879  C CA  . THR B 1 27 ? 8.18389   -12.72348 26.22871  1.000 15.04921  ? 27  THR B CA  1 
ATOM   880  C C   . THR B 1 27 ? 7.26108   -12.45332 25.04201  1.000 14.02093  ? 27  THR B C   1 
ATOM   881  O O   . THR B 1 27 ? 6.46994   -11.50472 25.04846  1.000 14.39045  ? 27  THR B O   1 
ATOM   882  C CB  . THR B 1 27 ? 7.83453   -14.06240 26.89729  1.000 16.67227  ? 27  THR B CB  1 
ATOM   883  O OG1 . THR B 1 27 ? 6.51307   -14.00095 27.44248  1.000 17.49633  ? 27  THR B OG1 1 
ATOM   884  C CG2 . THR B 1 27 ? 8.83212   -14.38981 28.01176  1.000 16.08749  ? 27  THR B CG2 1 
ATOM   885  N N   . GLU B 1 28 ? 7.35304   -13.31287 24.03063  1.000 13.52636  ? 28  GLU B N   1 
ATOM   886  C CA  . GLU B 1 28 ? 6.73016   -13.07906 22.73219  1.000 12.95158  ? 28  GLU B CA  1 
ATOM   887  C C   . GLU B 1 28 ? 6.00197   -14.32613 22.25407  1.000 13.96339  ? 28  GLU B C   1 
ATOM   888  O O   . GLU B 1 28 ? 6.56101   -15.43216 22.27985  1.000 15.06730  ? 28  GLU B O   1 
ATOM   889  C CB  . GLU B 1 28 ? 7.81607   -12.71252 21.71887  1.000 13.12255  ? 28  GLU B CB  1 
ATOM   890  C CG  . GLU B 1 28 ? 7.34088   -12.44787 20.28449  1.000 13.41191  ? 28  GLU B CG  1 
ATOM   891  C CD  . GLU B 1 28 ? 8.51214   -12.36863 19.32130  1.000 15.11781  ? 28  GLU B CD  1 
ATOM   892  O OE1 . GLU B 1 28 ? 9.44518   -13.19392 19.45237  1.000 15.20267  ? 28  GLU B OE1 1 
ATOM   893  O OE2 . GLU B 1 28 ? 8.51424   -11.47409 18.45034  1.000 14.35150  ? 28  GLU B OE2 1 
ATOM   894  N N   . ARG B 1 29 ? 4.76380   -14.14242 21.80236  1.000 13.07540  ? 29  ARG B N   1 
ATOM   895  C CA  . ARG B 1 29 ? 3.97863   -15.18367 21.15289  1.000 12.62304  ? 29  ARG B CA  1 
ATOM   896  C C   . ARG B 1 29 ? 3.69842   -14.75492 19.71847  1.000 13.19107  ? 29  ARG B C   1 
ATOM   897  O O   . ARG B 1 29 ? 3.44292   -13.57163 19.45524  1.000 13.93181  ? 29  ARG B O   1 
ATOM   898  C CB  . ARG B 1 29 ? 2.66640   -15.44276 21.90032  1.000 13.86020  ? 29  ARG B CB  1 
ATOM   899  C CG  . ARG B 1 29 ? 2.87528   -16.09578 23.26201  1.000 15.26362  ? 29  ARG B CG  1 
ATOM   900  C CD  . ARG B 1 29 ? 3.28028   -17.55812 23.12193  1.000 16.04950  ? 29  ARG B CD  1 
ATOM   901  N NE  . ARG B 1 29 ? 2.11691   -18.42133 22.95076  1.000 16.56946  ? 29  ARG B NE  1 
ATOM   902  C CZ  . ARG B 1 29 ? 2.17583   -19.72763 22.71907  1.000 16.28601  ? 29  ARG B CZ  1 
ATOM   903  N NH1 . ARG B 1 29 ? 3.33371   -20.35159 22.57610  1.000 18.84706  ? 29  ARG B NH1 1 
ATOM   904  N NH2 . ARG B 1 29 ? 1.04278   -20.42303 22.63564  1.000 18.29940  ? 29  ARG B NH2 1 
ATOM   905  N N   . CYS B 1 30 ? 3.75828   -15.71565 18.79060  1.000 13.82114  ? 30  CYS B N   1 
ATOM   906  C CA  . CYS B 1 30 ? 3.77503   -15.44073 17.36008  1.000 12.51244  ? 30  CYS B CA  1 
ATOM   907  C C   . CYS B 1 30 ? 2.67752   -16.21216 16.64374  1.000 13.86744  ? 30  CYS B C   1 
ATOM   908  O O   . CYS B 1 30 ? 2.40787   -17.37568 16.96800  1.000 13.83705  ? 30  CYS B O   1 
ATOM   909  C CB  . CYS B 1 30 ? 5.10728   -15.90004 16.75426  1.000 13.53420  ? 30  CYS B CB  1 
ATOM   910  S SG  . CYS B 1 30 ? 6.58229   -15.30062 17.60089  1.000 15.16652  ? 30  CYS B SG  1 
ATOM   911  N N   . TRP B 1 31 ? 2.09482   -15.57600 15.62838  1.000 12.90016  ? 31  TRP B N   1 
ATOM   912  C CA  . TRP B 1 31 ? 1.12198   -16.18631 14.73292  1.000 14.20744  ? 31  TRP B CA  1 
ATOM   913  C C   . TRP B 1 31 ? 1.53701   -15.82329 13.32036  1.000 13.98647  ? 31  TRP B C   1 
ATOM   914  O O   . TRP B 1 31 ? 1.76197   -14.64790 13.03048  1.000 13.74530  ? 31  TRP B O   1 
ATOM   915  C CB  . TRP B 1 31 ? -0.26144  -15.58603 14.99030  1.000 13.65149  ? 31  TRP B CB  1 
ATOM   916  C CG  . TRP B 1 31 ? -1.33346  -16.03113 14.03124  1.000 13.00218  ? 31  TRP B CG  1 
ATOM   917  C CD1 . TRP B 1 31 ? -1.71826  -15.41150 12.87710  1.000 14.57174  ? 31  TRP B CD1 1 
ATOM   918  C CD2 . TRP B 1 31 ? -2.16799  -17.18654 14.16574  1.000 12.76979  ? 31  TRP B CD2 1 
ATOM   919  N NE1 . TRP B 1 31 ? -2.74627  -16.11649 12.28032  1.000 14.89407  ? 31  TRP B NE1 1 
ATOM   920  C CE2 . TRP B 1 31 ? -3.03284  -17.21281 13.05326  1.000 13.40303  ? 31  TRP B CE2 1 
ATOM   921  C CE3 . TRP B 1 31 ? -2.27196  -18.20053 15.12803  1.000 15.06322  ? 31  TRP B CE3 1 
ATOM   922  C CZ2 . TRP B 1 31 ? -3.98497  -18.21636 12.87252  1.000 15.10575  ? 31  TRP B CZ2 1 
ATOM   923  C CZ3 . TRP B 1 31 ? -3.21816  -19.19221 14.94672  1.000 14.31526  ? 31  TRP B CZ3 1 
ATOM   924  C CH2 . TRP B 1 31 ? -4.05654  -19.19783 13.82463  1.000 16.11702  ? 31  TRP B CH2 1 
ATOM   925  N N   . ASP B 1 32 ? 1.63769   -16.81929 12.43216  1.000 14.14818  ? 32  ASP B N   1 
ATOM   926  C CA  . ASP B 1 32 ? 1.79814   -16.56669 11.00077  1.000 15.58431  ? 32  ASP B CA  1 
ATOM   927  C C   . ASP B 1 32 ? 0.75037   -17.32181 10.19041  1.000 15.10839  ? 32  ASP B C   1 
ATOM   928  O O   . ASP B 1 32 ? 0.98789   -17.68647 9.03119   1.000 18.80917  ? 32  ASP B O   1 
ATOM   929  C CB  . ASP B 1 32 ? 3.19892   -16.90740 10.49968  1.000 18.34786  ? 32  ASP B CB  1 
ATOM   930  C CG  . ASP B 1 32 ? 4.28442   -16.37600 11.38878  1.000 16.94151  ? 32  ASP B CG  1 
ATOM   931  O OD1 . ASP B 1 32 ? 4.48657   -15.14208 11.43942  1.000 15.61980  ? 32  ASP B OD1 1 
ATOM   932  O OD2 . ASP B 1 32 ? 4.94666   -17.21507 12.02121  1.000 21.61758  ? 32  ASP B OD2 1 
ATOM   933  N N   . GLY B 1 33 ? -0.40559  -17.58172 10.78136  1.000 15.70704  ? 33  GLY B N   1 
ATOM   934  C CA  . GLY B 1 33 ? -1.50722  -18.20340 10.07679  1.000 16.58140  ? 33  GLY B CA  1 
ATOM   935  C C   . GLY B 1 33 ? -1.76346  -19.64980 10.42830  1.000 17.10182  ? 33  GLY B C   1 
ATOM   936  O O   . GLY B 1 33 ? -2.78497  -20.19810 9.98515   1.000 18.55440  ? 33  GLY B O   1 
ATOM   937  N N   . LYS B 1 34 ? -0.88924  -20.29676 11.20442  1.000 16.13012  ? 34  LYS B N   1 
ATOM   938  C CA  . LYS B 1 34 ? -1.02299  -21.73954 11.36107  1.000 18.14862  ? 34  LYS B CA  1 
ATOM   939  C C   . LYS B 1 34 ? -0.84640  -22.20930 12.80104  1.000 18.98015  ? 34  LYS B C   1 
ATOM   940  O O   . LYS B 1 34 ? -0.55559  -23.39354 13.02892  1.000 21.68886  ? 34  LYS B O   1 
ATOM   941  C CB  . LYS B 1 34 ? -0.08434  -22.48585 10.41009  1.000 20.49740  ? 34  LYS B CB  1 
ATOM   942  C CG  . LYS B 1 34 ? 1.38746   -22.28337 10.70069  1.000 17.68965  ? 34  LYS B CG  1 
ATOM   943  C CD  . LYS B 1 34 ? 2.22037   -23.32160 9.96646   1.000 21.83193  ? 34  LYS B CD  1 
ATOM   944  C CE  . LYS B 1 34 ? 3.63263   -23.37467 10.50662  1.000 24.61589  ? 34  LYS B CE  1 
ATOM   945  N NZ  . LYS B 1 34 ? 4.31516   -24.64952 10.11161  1.000 31.03955  ? 34  LYS B NZ  1 
ATOM   946  N N   . GLY B 1 35 ? -1.03178  -21.33198 13.77764  1.000 17.01057  ? 35  GLY B N   1 
ATOM   947  C CA  . GLY B 1 35 ? -0.92909  -21.71349 15.17620  1.000 15.39248  ? 35  GLY B CA  1 
ATOM   948  C C   . GLY B 1 35 ? 0.00350   -20.78360 15.92653  1.000 16.13526  ? 35  GLY B C   1 
ATOM   949  O O   . GLY B 1 35 ? 0.96079   -20.24017 15.37089  1.000 17.24123  ? 35  GLY B O   1 
ATOM   950  N N   . TRP B 1 36 ? -0.29690  -20.57459 17.20253  1.000 15.39667  ? 36  TRP B N   1 
ATOM   951  C CA  . TRP B 1 36 ? 0.53683   -19.73272 18.05170  1.000 16.64167  ? 36  TRP B CA  1 
ATOM   952  C C   . TRP B 1 36 ? 1.76690   -20.49791 18.52257  1.000 16.36659  ? 36  TRP B C   1 
ATOM   953  O O   . TRP B 1 36 ? 1.70232   -21.69594 18.82603  1.000 17.65570  ? 36  TRP B O   1 
ATOM   954  C CB  . TRP B 1 36 ? -0.25882  -19.22846 19.25915  1.000 15.05655  ? 36  TRP B CB  1 
ATOM   955  C CG  . TRP B 1 36 ? -1.26877  -18.19063 18.85934  1.000 13.66769  ? 36  TRP B CG  1 
ATOM   956  C CD1 . TRP B 1 36 ? -2.57888  -18.40755 18.52986  1.000 14.45504  ? 36  TRP B CD1 1 
ATOM   957  C CD2 . TRP B 1 36 ? -1.04359  -16.77765 18.70228  1.000 13.70394  ? 36  TRP B CD2 1 
ATOM   958  N NE1 . TRP B 1 36 ? -3.18855  -17.21972 18.18903  1.000 13.66831  ? 36  TRP B NE1 1 
ATOM   959  C CE2 . TRP B 1 36 ? -2.27116  -16.20328 18.29303  1.000 13.23849  ? 36  TRP B CE2 1 
ATOM   960  C CE3 . TRP B 1 36 ? 0.06759   -15.94317 18.87941  1.000 12.80681  ? 36  TRP B CE3 1 
ATOM   961  C CZ2 . TRP B 1 36 ? -2.41639  -14.83115 18.05039  1.000 12.63459  ? 36  TRP B CZ2 1 
ATOM   962  C CZ3 . TRP B 1 36 ? -0.08069  -14.57512 18.64951  1.000 13.68950  ? 36  TRP B CZ3 1 
ATOM   963  C CH2 . TRP B 1 36 ? -1.31389  -14.03880 18.22728  1.000 12.97170  ? 36  TRP B CH2 1 
ATOM   964  N N   . TYR B 1 37 ? 2.89161   -19.79529 18.60018  1.000 15.53572  ? 37  TYR B N   1 
ATOM   965  C CA  . TYR B 1 37 ? 4.13007   -20.40515 19.06151  1.000 16.88579  ? 37  TYR B CA  1 
ATOM   966  C C   . TYR B 1 37 ? 4.96844   -19.34001 19.75443  1.000 18.34078  ? 37  TYR B C   1 
ATOM   967  O O   . TYR B 1 37 ? 4.72554   -18.13777 19.60868  1.000 16.69220  ? 37  TYR B O   1 
ATOM   968  C CB  . TYR B 1 37 ? 4.87850   -21.09227 17.91031  1.000 16.99191  ? 37  TYR B CB  1 
ATOM   969  C CG  . TYR B 1 37 ? 5.34797   -20.14399 16.83013  1.000 16.46136  ? 37  TYR B CG  1 
ATOM   970  C CD1 . TYR B 1 37 ? 4.49715   -19.74128 15.80051  1.000 15.20925  ? 37  TYR B CD1 1 
ATOM   971  C CD2 . TYR B 1 37 ? 6.64550   -19.64946 16.83941  1.000 16.93252  ? 37  TYR B CD2 1 
ATOM   972  C CE1 . TYR B 1 37 ? 4.93060   -18.86448 14.81697  1.000 15.04133  ? 37  TYR B CE1 1 
ATOM   973  C CE2 . TYR B 1 37 ? 7.08352   -18.77911 15.86032  1.000 17.11893  ? 37  TYR B CE2 1 
ATOM   974  C CZ  . TYR B 1 37 ? 6.22650   -18.39400 14.85339  1.000 16.00751  ? 37  TYR B CZ  1 
ATOM   975  O OH  . TYR B 1 37 ? 6.66465   -17.52550 13.88505  1.000 17.81145  ? 37  TYR B OH  1 
ATOM   976  N N   . THR B 1 38 ? 5.95025   -19.78449 20.52690  1.000 16.31322  ? 38  THR B N   1 
ATOM   977  C CA  . THR B 1 38 ? 6.77857   -18.86698 21.29676  1.000 16.81621  ? 38  THR B CA  1 
ATOM   978  C C   . THR B 1 38 ? 7.92800   -18.35334 20.44071  1.000 15.64867  ? 38  THR B C   1 
ATOM   979  O O   . THR B 1 38 ? 8.63346   -19.13714 19.79608  1.000 18.12270  ? 38  THR B O   1 
ATOM   980  C CB  . THR B 1 38 ? 7.28571   -19.55344 22.56444  1.000 18.81963  ? 38  THR B CB  1 
ATOM   981  O OG1 . THR B 1 38 ? 6.15704   -19.91811 23.35746  1.000 19.66749  ? 38  THR B OG1 1 
ATOM   982  C CG2 . THR B 1 38 ? 8.17593   -18.61242 23.36613  1.000 19.81079  ? 38  THR B CG2 1 
ATOM   983  N N   . GLY B 1 39 ? 8.10863   -17.02826 20.42693  1.000 15.23593  ? 39  GLY B N   1 
ATOM   984  C CA  . GLY B 1 39 ? 9.16454   -16.40866 19.65702  1.000 15.72013  ? 39  GLY B CA  1 
ATOM   985  C C   . GLY B 1 39 ? 10.46926  -16.29069 20.42265  1.000 15.10781  ? 39  GLY B C   1 
ATOM   986  O O   . GLY B 1 39 ? 10.57274  -16.61316 21.60325  1.000 16.61855  ? 39  GLY B O   1 
ATOM   987  N N   . ALA B 1 40 ? 11.47517  -15.76637 19.72911  1.000 15.70204  ? 40  ALA B N   1 
ATOM   988  C CA  . ALA B 1 40 ? 12.81778  -15.66342 20.29154  1.000 17.22606  ? 40  ALA B CA  1 
ATOM   989  C C   . ALA B 1 40 ? 13.00100  -14.51324 21.27796  1.000 18.12078  ? 40  ALA B C   1 
ATOM   990  O O   . ALA B 1 40 ? 14.01983  -14.48396 21.97585  1.000 18.33190  ? 40  ALA B O   1 
ATOM   991  C CB  . ALA B 1 40 ? 13.83586  -15.52663 19.16149  1.000 18.49604  ? 40  ALA B CB  1 
ATOM   992  N N   . PHE B 1 41 ? 12.06788  -13.56698 21.36088  1.000 15.02697  ? 41  PHE B N   1 
ATOM   993  C CA  . PHE B 1 41 ? 12.27175  -12.39230 22.20377  1.000 14.49500  ? 41  PHE B CA  1 
ATOM   994  C C   . PHE B 1 41 ? 12.16439  -12.74586 23.68356  1.000 14.19000  ? 41  PHE B C   1 
ATOM   995  O O   . PHE B 1 41 ? 11.14949  -13.28746 24.12570  1.000 15.22164  ? 41  PHE B O   1 
ATOM   996  C CB  . PHE B 1 41 ? 11.22325  -11.33480 21.86764  1.000 14.25905  ? 41  PHE B CB  1 
ATOM   997  C CG  . PHE B 1 41 ? 11.42400  -10.03793 22.58963  1.000 14.10657  ? 41  PHE B CG  1 
ATOM   998  C CD1 . PHE B 1 41 ? 10.94086  -9.86127  23.87440  1.000 14.75395  ? 41  PHE B CD1 1 
ATOM   999  C CD2 . PHE B 1 41 ? 12.12256  -8.99848  21.99168  1.000 16.90379  ? 41  PHE B CD2 1 
ATOM   1000 C CE1 . PHE B 1 41 ? 11.14092  -8.66534  24.54203  1.000 15.83368  ? 41  PHE B CE1 1 
ATOM   1001 C CE2 . PHE B 1 41 ? 12.31776  -7.79917  22.66079  1.000 16.27091  ? 41  PHE B CE2 1 
ATOM   1002 C CZ  . PHE B 1 41 ? 11.82744  -7.64127  23.93489  1.000 14.32125  ? 41  PHE B CZ  1 
ATOM   1003 N N   . ASN B 1 42 ? 13.20006  -12.39637 24.45423  1.000 14.57890  ? 42  ASN B N   1 
ATOM   1004 C CA  . ASN B 1 42 ? 13.17207  -12.51889 25.91552  1.000 14.24871  ? 42  ASN B CA  1 
ATOM   1005 C C   . ASN B 1 42 ? 14.00790  -11.37227 26.47044  1.000 14.06717  ? 42  ASN B C   1 
ATOM   1006 O O   . ASN B 1 42 ? 15.22049  -11.35378 26.25803  1.000 15.69541  ? 42  ASN B O   1 
ATOM   1007 C CB  . ASN B 1 42 ? 13.76771  -13.85931 26.37481  1.000 15.84363  ? 42  ASN B CB  1 
ATOM   1008 C CG  . ASN B 1 42 ? 12.89122  -15.06328 26.03513  1.000 16.85875  ? 42  ASN B CG  1 
ATOM   1009 O OD1 . ASN B 1 42 ? 12.00307  -15.43768 26.80631  1.000 18.57631  ? 42  ASN B OD1 1 
ATOM   1010 N ND2 . ASN B 1 42 ? 13.15883  -15.69052 24.89673  1.000 18.06867  ? 42  ASN B ND2 1 
ATOM   1011 N N   . GLU B 1 43 ? 13.38701  -10.41876 27.16656  1.000 14.37029  ? 43  GLU B N   1 
ATOM   1012 C CA  . GLU B 1 43 ? 14.12303  -9.27526  27.70091  1.000 14.83530  ? 43  GLU B CA  1 
ATOM   1013 C C   . GLU B 1 43 ? 13.44206  -8.78331  28.96527  1.000 14.15251  ? 43  GLU B C   1 
ATOM   1014 O O   . GLU B 1 43 ? 12.22768  -8.94801  29.11122  1.000 14.63782  ? 43  GLU B O   1 
ATOM   1015 C CB  . GLU B 1 43 ? 14.19641  -8.10712  26.70265  1.000 15.44171  ? 43  GLU B CB  1 
ATOM   1016 C CG  . GLU B 1 43 ? 14.93916  -8.40582  25.41471  1.000 15.27348  ? 43  GLU B CG  1 
ATOM   1017 C CD  . GLU B 1 43 ? 16.40306  -8.75070  25.61910  1.000 16.29077  ? 43  GLU B CD  1 
ATOM   1018 O OE1 . GLU B 1 43 ? 16.93925  -8.45011  26.71131  1.000 15.99261  ? 43  GLU B OE1 1 
ATOM   1019 O OE2 . GLU B 1 43 ? 17.01010  -9.32607  24.68564  1.000 16.24343  ? 43  GLU B OE2 1 
ATOM   1020 N N   . PRO B 1 44 ? 14.18066  -8.15635  29.88402  1.000 14.95582  ? 44  PRO B N   1 
ATOM   1021 C CA  . PRO B 1 44 ? 13.54032  -7.63598  31.10137  1.000 15.05045  ? 44  PRO B CA  1 
ATOM   1022 C C   . PRO B 1 44 ? 12.70776  -6.39118  30.82718  1.000 16.76212  ? 44  PRO B C   1 
ATOM   1023 O O   . PRO B 1 44 ? 13.05247  -5.55434  29.98518  1.000 17.00004  ? 44  PRO B O   1 
ATOM   1024 C CB  . PRO B 1 44 ? 14.72962  -7.30249  32.01257  1.000 16.73581  ? 44  PRO B CB  1 
ATOM   1025 C CG  . PRO B 1 44 ? 15.83392  -6.99108  31.05700  1.000 19.18112  ? 44  PRO B CG  1 
ATOM   1026 C CD  . PRO B 1 44 ? 15.64160  -7.93754  29.89254  1.000 16.10376  ? 44  PRO B CD  1 
ATOM   1027 N N   . GLY B 1 45 ? 11.60751  -6.27296  31.56135  1.000 16.88085  ? 45  GLY B N   1 
ATOM   1028 C CA  . GLY B 1 45 ? 10.82059  -5.05482  31.59534  1.000 16.19900  ? 45  GLY B CA  1 
ATOM   1029 C C   . GLY B 1 45 ? 9.49398   -5.23432  32.30571  1.000 14.82391  ? 45  GLY B C   1 
ATOM   1030 O O   . GLY B 1 45 ? 8.96625   -6.35048  32.38851  1.000 16.33375  ? 45  GLY B O   1 
ATOM   1031 N N   . ASP B 1 46 ? 8.94459   -4.13511  32.82453  1.000 15.58430  ? 46  ASP B N   1 
ATOM   1032 C CA  . ASP B 1 46 ? 7.62079   -4.13294  33.42751  1.000 16.36246  ? 46  ASP B CA  1 
ATOM   1033 C C   . ASP B 1 46 ? 6.55935   -3.56009  32.50720  1.000 18.33531  ? 46  ASP B C   1 
ATOM   1034 O O   . ASP B 1 46 ? 5.37581   -3.85833  32.68902  1.000 21.14842  ? 46  ASP B O   1 
ATOM   1035 C CB  . ASP B 1 46 ? 7.61954   -3.35631  34.75051  1.000 18.03981  ? 46  ASP B CB  1 
ATOM   1036 C CG  . ASP B 1 46 ? 8.55670   -3.96465  35.78161  1.000 24.55967  ? 46  ASP B CG  1 
ATOM   1037 O OD1 . ASP B 1 46 ? 9.37847   -3.21290  36.35149  1.000 38.48010  ? 46  ASP B OD1 1 
ATOM   1038 O OD2 . ASP B 1 46 ? 8.48262   -5.19317  36.00193  1.000 39.03080  ? 46  ASP B OD2 1 
ATOM   1039 N N   . ASN B 1 47 ? 6.96018   -2.76795  31.51742  1.000 15.38896  ? 47  ASN B N   1 
ATOM   1040 C CA  . ASN B 1 47 ? 6.05910   -2.17676  30.54009  1.000 15.00554  ? 47  ASN B CA  1 
ATOM   1041 C C   . ASN B 1 47 ? 6.64932   -2.40142  29.15700  1.000 13.89083  ? 47  ASN B C   1 
ATOM   1042 O O   . ASN B 1 47 ? 7.87162   -2.42274  28.99006  1.000 13.75513  ? 47  ASN B O   1 
ATOM   1043 C CB  . ASN B 1 47 ? 5.93568   -0.67436  30.78330  1.000 15.89883  ? 47  ASN B CB  1 
ATOM   1044 C CG  . ASN B 1 47 ? 5.12176   0.01600   29.72698  1.000 23.09535  ? 47  ASN B CG  1 
ATOM   1045 O OD1 . ASN B 1 47 ? 5.66450   0.60902   28.78342  1.000 19.42583  ? 47  ASN B OD1 1 
ATOM   1046 N ND2 . ASN B 1 47 ? 3.80328   -0.08005  29.85233  1.000 22.38002  ? 47  ASN B ND2 1 
ATOM   1047 N N   . VAL B 1 48 ? 5.77627   -2.57123  28.16041  1.000 13.85151  ? 48  VAL B N   1 
ATOM   1048 C CA  . VAL B 1 48 ? 6.20516   -2.86184  26.79833  1.000 12.43691  ? 48  VAL B CA  1 
ATOM   1049 C C   . VAL B 1 48 ? 5.30758   -2.14556  25.79288  1.000 12.40188  ? 48  VAL B C   1 
ATOM   1050 O O   . VAL B 1 48 ? 4.08537   -2.07337  25.96463  1.000 13.17721  ? 48  VAL B O   1 
ATOM   1051 C CB  . VAL B 1 48 ? 6.28319   -4.38612  26.54803  1.000 13.27057  ? 48  VAL B CB  1 
ATOM   1052 C CG1 . VAL B 1 48 ? 4.92561   -5.05141  26.70999  1.000 15.55269  ? 48  VAL B CG1 1 
ATOM   1053 C CG2 . VAL B 1 48 ? 6.85023   -4.67643  25.18028  1.000 15.10750  ? 48  VAL B CG2 1 
ATOM   1054 N N   . SER B 1 49 ? 5.92327   -1.60937  24.74025  1.000 12.11940  ? 49  SER B N   1 
ATOM   1055 C CA  . SER B 1 49 ? 5.21047   -1.16586  23.54640  1.000 11.47697  ? 49  SER B CA  1 
ATOM   1056 C C   . SER B 1 49 ? 5.96444   -1.67819  22.33008  1.000 12.36789  ? 49  SER B C   1 
ATOM   1057 O O   . SER B 1 49 ? 7.12106   -2.09733  22.43027  1.000 12.28726  ? 49  SER B O   1 
ATOM   1058 C CB  . SER B 1 49 ? 5.06449   0.36211   23.47900  1.000 11.83991  ? 49  SER B CB  1 
ATOM   1059 O OG  . SER B 1 49 ? 6.30302   1.00880   23.29200  1.000 12.83983  ? 49  SER B OG  1 
ATOM   1060 N N   . VAL B 1 50 ? 5.31192   -1.65332  21.16689  1.000 11.11368  ? 50  VAL B N   1 
ATOM   1061 C CA  . VAL B 1 50 ? 5.90987   -2.20367  19.95375  1.000 11.37774  ? 50  VAL B CA  1 
ATOM   1062 C C   . VAL B 1 50 ? 5.39405   -1.44399  18.73921  1.000 11.50358  ? 50  VAL B C   1 
ATOM   1063 O O   . VAL B 1 50 ? 4.25648   -0.96950  18.71426  1.000 12.08844  ? 50  VAL B O   1 
ATOM   1064 C CB  . VAL B 1 50 ? 5.61283   -3.72439  19.80887  1.000 11.58005  ? 50  VAL B CB  1 
ATOM   1065 C CG1 . VAL B 1 50 ? 4.11520   -3.99310  19.64060  1.000 12.96780  ? 50  VAL B CG1 1 
ATOM   1066 C CG2 . VAL B 1 50 ? 6.41012   -4.34454  18.65901  1.000 12.87163  ? 50  VAL B CG2 1 
ATOM   1067 N N   . THR B 1 51 ? 6.23223   -1.36684  17.70788  1.000 11.00351  ? 51  THR B N   1 
ATOM   1068 C CA  . THR B 1 51 ? 5.79711   -0.96199  16.37610  1.000 10.79822  ? 51  THR B CA  1 
ATOM   1069 C C   . THR B 1 51 ? 6.57927   -1.78471  15.35835  1.000 11.65735  ? 51  THR B C   1 
ATOM   1070 O O   . THR B 1 51 ? 7.62835   -2.35682  15.67468  1.000 12.72719  ? 51  THR B O   1 
ATOM   1071 C CB  . THR B 1 51 ? 5.94865   0.56172   16.18050  1.000 11.52238  ? 51  THR B CB  1 
ATOM   1072 O OG1 . THR B 1 51 ? 5.29644   0.96164   14.96689  1.000 12.68837  ? 51  THR B OG1 1 
ATOM   1073 C CG2 . THR B 1 51 ? 7.41979   0.97872   16.10815  1.000 13.31878  ? 51  THR B CG2 1 
ATOM   1074 N N   . SER B 1 52 ? 6.04747   -1.87683  14.13805  1.000 11.97149  ? 52  SER B N   1 
ATOM   1075 C CA  . SER B 1 52 ? 6.73282   -2.61739  13.08627  1.000 12.49312  ? 52  SER B CA  1 
ATOM   1076 C C   . SER B 1 52 ? 6.40106   -2.00717  11.73923  1.000 11.78649  ? 52  SER B C   1 
ATOM   1077 O O   . SER B 1 52 ? 5.38762   -1.32395  11.58366  1.000 12.43021  ? 52  SER B O   1 
ATOM   1078 C CB  . SER B 1 52 ? 6.39621   -4.11628  13.09958  1.000 12.75022  ? 52  SER B CB  1 
ATOM   1079 O OG  . SER B 1 52 ? 5.03534   -4.35281  12.76788  1.000 12.96222  ? 52  SER B OG  1 
ATOM   1080 N N   . TRP B 1 53 ? 7.27552   -2.25928  10.76620  1.000 13.52790  ? 53  TRP B N   1 
ATOM   1081 C CA  . TRP B 1 53 ? 7.06365   -1.76787  9.40687   1.000 13.07799  ? 53  TRP B CA  1 
ATOM   1082 C C   . TRP B 1 53 ? 7.70677   -2.73178  8.42410   1.000 13.38671  ? 53  TRP B C   1 
ATOM   1083 O O   . TRP B 1 53 ? 8.67286   -3.42018  8.74742   1.000 13.33049  ? 53  TRP B O   1 
ATOM   1084 C CB  . TRP B 1 53 ? 7.62202   -0.35368  9.18669   1.000 13.54715  ? 53  TRP B CB  1 
ATOM   1085 C CG  . TRP B 1 53 ? 9.10555   -0.27688  9.30908   1.000 14.09898  ? 53  TRP B CG  1 
ATOM   1086 C CD1 . TRP B 1 53 ? 10.02200  -0.32575  8.29599   1.000 15.41815  ? 53  TRP B CD1 1 
ATOM   1087 C CD2 . TRP B 1 53 ? 9.85397   -0.15033  10.51810  1.000 13.01239  ? 53  TRP B CD2 1 
ATOM   1088 N NE1 . TRP B 1 53 ? 11.29707  -0.23176  8.79792   1.000 14.37705  ? 53  TRP B NE1 1 
ATOM   1089 C CE2 . TRP B 1 53 ? 11.22014  -0.12703  10.16457  1.000 13.54671  ? 53  TRP B CE2 1 
ATOM   1090 C CE3 . TRP B 1 53 ? 9.50468   -0.04287  11.87039  1.000 13.59304  ? 53  TRP B CE3 1 
ATOM   1091 C CZ2 . TRP B 1 53 ? 12.23679  -0.01401  11.12047  1.000 13.91810  ? 53  TRP B CZ2 1 
ATOM   1092 C CZ3 . TRP B 1 53 ? 10.51547  0.07285   12.81087  1.000 13.81192  ? 53  TRP B CZ3 1 
ATOM   1093 C CH2 . TRP B 1 53 ? 11.86090  0.08396   12.43484  1.000 13.72371  ? 53  TRP B CH2 1 
ATOM   1094 N N   . LEU B 1 54 ? 7.16428   -2.76424  7.21195   1.000 14.68432  ? 54  LEU B N   1 
ATOM   1095 C CA  . LEU B 1 54 ? 7.70937   -3.56579  6.12473   1.000 15.87048  ? 54  LEU B CA  1 
ATOM   1096 C C   . LEU B 1 54 ? 8.58191   -2.71461  5.21429   1.000 18.45700  ? 54  LEU B C   1 
ATOM   1097 O O   . LEU B 1 54 ? 8.27066   -1.55193  4.93938   1.000 19.22791  ? 54  LEU B O   1 
ATOM   1098 C CB  . LEU B 1 54 ? 6.58493   -4.17152  5.28223   1.000 15.65858  ? 54  LEU B CB  1 
ATOM   1099 C CG  . LEU B 1 54 ? 5.81171   -5.32388  5.91291   1.000 17.17770  ? 54  LEU B CG  1 
ATOM   1100 C CD1 . LEU B 1 54 ? 4.50535   -5.55859  5.15843   1.000 19.71862  ? 54  LEU B CD1 1 
ATOM   1101 C CD2 . LEU B 1 54 ? 6.66209   -6.59045  5.93761   1.000 17.91109  ? 54  LEU B CD2 1 
ATOM   1102 N N   . VAL B 1 55 ? 9.67431   -3.30858  4.75336   1.000 16.84624  ? 55  VAL B N   1 
ATOM   1103 C CA  . VAL B 1 55 ? 10.45020  -2.79714  3.62844   1.000 18.43502  ? 55  VAL B CA  1 
ATOM   1104 C C   . VAL B 1 55 ? 10.38809  -3.90896  2.58862   1.000 19.32854  ? 55  VAL B C   1 
ATOM   1105 O O   . VAL B 1 55 ? 11.04717  -4.94594  2.73362   1.000 21.01082  ? 55  VAL B O   1 
ATOM   1106 C CB  . VAL B 1 55 ? 11.89548  -2.46700  4.02382   1.000 17.60989  ? 55  VAL B CB  1 
ATOM   1107 C CG1 . VAL B 1 55 ? 12.69604  -1.99955  2.80696   1.000 20.77395  ? 55  VAL B CG1 1 
ATOM   1108 C CG2 . VAL B 1 55 ? 11.93054  -1.40587  5.14020   1.000 20.10708  ? 55  VAL B CG2 1 
ATOM   1109 N N   . GLY B 1 56 ? 9.56631   -3.72084  1.56188   1.000 23.60877  ? 56  GLY B N   1 
ATOM   1110 C CA  . GLY B 1 56 ? 9.25890   -4.82249  0.66949   1.000 25.28580  ? 56  GLY B CA  1 
ATOM   1111 C C   . GLY B 1 56 ? 8.55913   -5.93679  1.42079   1.000 24.89352  ? 56  GLY B C   1 
ATOM   1112 O O   . GLY B 1 56 ? 7.47578   -5.72624  1.97651   1.000 29.82396  ? 56  GLY B O   1 
ATOM   1113 N N   . SER B 1 57 ? 9.17300   -7.11713  1.46744   1.000 23.01041  ? 57  SER B N   1 
ATOM   1114 C CA  . SER B 1 57 ? 8.62760   -8.23802  2.22038   1.000 25.13957  ? 57  SER B CA  1 
ATOM   1115 C C   . SER B 1 57 ? 9.32537   -8.45526  3.55802   1.000 25.27239  ? 57  SER B C   1 
ATOM   1116 O O   . SER B 1 57 ? 8.97249   -9.39467  4.27825   1.000 24.39799  ? 57  SER B O   1 
ATOM   1117 C CB  . SER B 1 57 ? 8.68495   -9.51978  1.38373   1.000 31.99915  ? 57  SER B CB  1 
ATOM   1118 O OG  . SER B 1 57 ? 10.02362  -9.90820  1.13872   1.000 39.16415  ? 57  SER B OG  1 
ATOM   1119 N N   . ALA B 1 58 ? 10.30272  -7.61873  3.90221   1.000 21.71007  ? 58  ALA B N   1 
ATOM   1120 C CA  . ALA B 1 58 ? 11.08784  -7.78554  5.12017   1.000 21.47669  ? 58  ALA B CA  1 
ATOM   1121 C C   . ALA B 1 58 ? 10.45586  -6.99322  6.26013   1.000 16.22802  ? 58  ALA B C   1 
ATOM   1122 O O   . ALA B 1 58 ? 10.25757  -5.78103  6.13900   1.000 17.07069  ? 58  ALA B O   1 
ATOM   1123 C CB  . ALA B 1 58 ? 12.51565  -7.29568  4.88637   1.000 22.54985  ? 58  ALA B CB  1 
ATOM   1124 N N   . ILE B 1 59 ? 10.16852  -7.67812  7.36922   1.000 18.24074  ? 59  ILE B N   1 
ATOM   1125 C CA  . ILE B 1 59 ? 9.60479   -7.04095  8.55651   1.000 14.59706  ? 59  ILE B CA  1 
ATOM   1126 C C   . ILE B 1 59 ? 10.72177  -6.48913  9.42772   1.000 15.17127  ? 59  ILE B C   1 
ATOM   1127 O O   . ILE B 1 59 ? 11.80440  -7.07585  9.55234   1.000 15.76171  ? 59  ILE B O   1 
ATOM   1128 C CB  . ILE B 1 59 ? 8.70327   -8.01756  9.34240   1.000 15.18347  ? 59  ILE B CB  1 
ATOM   1129 C CG1 . ILE B 1 59 ? 7.87904   -7.27911  10.41067  1.000 16.09479  ? 59  ILE B CG1 1 
ATOM   1130 C CG2 . ILE B 1 59 ? 9.51930   -9.13390  9.98292   1.000 17.48457  ? 59  ILE B CG2 1 
ATOM   1131 C CD1 . ILE B 1 59 ? 6.90460   -6.24813  9.85915   1.000 15.26864  ? 59  ILE B CD1 1 
ATOM   1132 N N   . HIS B 1 60 ? 10.44337  -5.34532  10.04168  1.000 13.16937  ? 60  HIS B N   1 
ATOM   1133 C CA  . HIS B 1 60 ? 11.31829  -4.72684  11.02326  1.000 14.11496  ? 60  HIS B CA  1 
ATOM   1134 C C   . HIS B 1 60 ? 10.45964  -4.41467  12.22923  1.000 13.07065  ? 60  HIS B C   1 
ATOM   1135 O O   . HIS B 1 60 ? 9.39183   -3.81206  12.08527  1.000 13.55293  ? 60  HIS B O   1 
ATOM   1136 C CB  . HIS B 1 60 ? 11.91552  -3.44793  10.44769  1.000 14.60453  ? 60  HIS B CB  1 
ATOM   1137 C CG  . HIS B 1 60 ? 12.75293  -3.69714  9.23430   1.000 15.75566  ? 60  HIS B CG  1 
ATOM   1138 N ND1 . HIS B 1 60 ? 14.11365  -3.90713  9.30019   1.000 15.91635  ? 60  HIS B ND1 1 
ATOM   1139 C CD2 . HIS B 1 60 ? 12.41064  -3.83251  7.93097   1.000 18.43946  ? 60  HIS B CD2 1 
ATOM   1140 C CE1 . HIS B 1 60 ? 14.57911  -4.13626  8.08079   1.000 18.00944  ? 60  HIS B CE1 1 
ATOM   1141 N NE2 . HIS B 1 60 ? 13.56508  -4.10264  7.23439   1.000 19.87341  ? 60  HIS B NE2 1 
ATOM   1142 N N   . ILE B 1 61 ? 10.89686  -4.85893  13.40361  1.000 12.43407  ? 61  ILE B N   1 
ATOM   1143 C CA  . ILE B 1 61 ? 10.12644  -4.73090  14.63655  1.000 11.43341  ? 61  ILE B CA  1 
ATOM   1144 C C   . ILE B 1 61 ? 10.96220  -3.96081  15.64229  1.000 11.97222  ? 61  ILE B C   1 
ATOM   1145 O O   . ILE B 1 61 ? 12.17103  -4.19216  15.75917  1.000 12.46603  ? 61  ILE B O   1 
ATOM   1146 C CB  . ILE B 1 61 ? 9.73399   -6.10186  15.22764  1.000 11.09503  ? 61  ILE B CB  1 
ATOM   1147 C CG1 . ILE B 1 61 ? 9.08419   -7.02177  14.18921  1.000 13.47475  ? 61  ILE B CG1 1 
ATOM   1148 C CG2 . ILE B 1 61 ? 8.79069   -5.91444  16.41284  1.000 13.23334  ? 61  ILE B CG2 1 
ATOM   1149 C CD1 . ILE B 1 61 ? 8.96925   -8.46429  14.64841  1.000 14.25843  ? 61  ILE B CD1 1 
ATOM   1150 N N   . ARG B 1 62 ? 10.32275  -3.05493  16.38149  1.000 11.57562  ? 62  ARG B N   1 
ATOM   1151 C CA  . ARG B 1 62 ? 10.97616  -2.35050  17.48028  1.000 12.09454  ? 62  ARG B CA  1 
ATOM   1152 C C   . ARG B 1 62 ? 10.12417  -2.51640  18.72787  1.000 12.02738  ? 62  ARG B C   1 
ATOM   1153 O O   . ARG B 1 62 ? 8.94618   -2.13389  18.73695  1.000 12.58269  ? 62  ARG B O   1 
ATOM   1154 C CB  . ARG B 1 62 ? 11.18410  -0.86539  17.16763  1.000 12.51349  ? 62  ARG B CB  1 
ATOM   1155 C CG  . ARG B 1 62 ? 12.08087  -0.58357  15.97033  1.000 12.79802  ? 62  ARG B CG  1 
ATOM   1156 C CD  . ARG B 1 62 ? 13.51556  -1.05166  16.20724  1.000 11.79369  ? 62  ARG B CD  1 
ATOM   1157 N NE  . ARG B 1 62 ? 14.37575  -0.74761  15.06269  1.000 13.82476  ? 62  ARG B NE  1 
ATOM   1158 C CZ  . ARG B 1 62 ? 14.57772  -1.56671  14.03744  1.000 13.80154  ? 62  ARG B CZ  1 
ATOM   1159 N NH1 . ARG B 1 62 ? 13.99547  -2.75766  13.97307  1.000 13.94964  ? 62  ARG B NH1 1 
ATOM   1160 N NH2 . ARG B 1 62 ? 15.38072  -1.18239  13.04459  1.000 15.12114  ? 62  ARG B NH2 1 
ATOM   1161 N N   . VAL B 1 63 ? 10.72876  -3.05205  19.78774  1.000 11.79585  ? 63  VAL B N   1 
ATOM   1162 C CA  . VAL B 1 63 ? 10.07138  -3.25330  21.07238  1.000 12.63690  ? 63  VAL B CA  1 
ATOM   1163 C C   . VAL B 1 63 ? 10.72428  -2.31431  22.08064  1.000 12.34542  ? 63  VAL B C   1 
ATOM   1164 O O   . VAL B 1 63 ? 11.95826  -2.25765  22.18050  1.000 14.03173  ? 63  VAL B O   1 
ATOM   1165 C CB  . VAL B 1 63 ? 10.19053  -4.72072  21.52706  1.000 12.56029  ? 63  VAL B CB  1 
ATOM   1166 C CG1 . VAL B 1 63 ? 9.61275   -4.90458  22.92991  1.000 15.53737  ? 63  VAL B CG1 1 
ATOM   1167 C CG2 . VAL B 1 63 ? 9.50018   -5.64740  20.53141  1.000 13.50963  ? 63  VAL B CG2 1 
ATOM   1168 N N   . TYR B 1 64 ? 9.90209   -1.57635  22.82109  1.000 12.13439  ? 64  TYR B N   1 
ATOM   1169 C CA  . TYR B 1 64 ? 10.36615  -0.63477  23.84071  1.000 11.92150  ? 64  TYR B CA  1 
ATOM   1170 C C   . TYR B 1 64 ? 10.03464  -1.21506  25.21134  1.000 12.82479  ? 64  TYR B C   1 
ATOM   1171 O O   . TYR B 1 64 ? 8.85980   -1.30869  25.58389  1.000 12.91308  ? 64  TYR B O   1 
ATOM   1172 C CB  . TYR B 1 64 ? 9.77781   0.76439   23.61034  1.000 12.15152  ? 64  TYR B CB  1 
ATOM   1173 C CG  . TYR B 1 64 ? 10.20212  1.26138   22.23444  1.000 11.68466  ? 64  TYR B CG  1 
ATOM   1174 C CD1 . TYR B 1 64 ? 11.42201  1.91178   22.04964  1.000 11.83193  ? 64  TYR B CD1 1 
ATOM   1175 C CD2 . TYR B 1 64 ? 9.43143   1.00173   21.10539  1.000 12.77589  ? 64  TYR B CD2 1 
ATOM   1176 C CE1 . TYR B 1 64 ? 11.84374  2.30526   20.78991  1.000 12.36112  ? 64  TYR B CE1 1 
ATOM   1177 C CE2 . TYR B 1 64 ? 9.84602   1.39095   19.84796  1.000 11.77238  ? 64  TYR B CE2 1 
ATOM   1178 C CZ  . TYR B 1 64 ? 11.05759  2.01930   19.68365  1.000 11.26571  ? 64  TYR B CZ  1 
ATOM   1179 O OH  . TYR B 1 64 ? 11.45112  2.38616   18.41644  1.000 13.37393  ? 64  TYR B OH  1 
ATOM   1180 N N   . ALA B 1 65 ? 11.07209  -1.62945  25.93920  1.000 13.23580  ? 65  ALA B N   1 
ATOM   1181 C CA  . ALA B 1 65 ? 10.94471  -2.29549  27.23303  1.000 12.85464  ? 65  ALA B CA  1 
ATOM   1182 C C   . ALA B 1 65 ? 11.35501  -1.33392  28.34178  1.000 14.00975  ? 65  ALA B C   1 
ATOM   1183 O O   . ALA B 1 65 ? 12.45389  -0.77351  28.29562  1.000 15.53145  ? 65  ALA B O   1 
ATOM   1184 C CB  . ALA B 1 65 ? 11.85980  -3.51792  27.27406  1.000 15.33923  ? 65  ALA B CB  1 
ATOM   1185 N N   . SER B 1 66 ? 10.48941  -1.14008  29.33136  1.000 13.39658  ? 66  SER B N   1 
ATOM   1186 C CA  . SER B 1 66 ? 10.75211  -0.15425  30.37614  1.000 14.59272  ? 66  SER B CA  1 
ATOM   1187 C C   . SER B 1 66 ? 10.77374  -0.78935  31.75933  1.000 16.75125  ? 66  SER B C   1 
ATOM   1188 O O   . SER B 1 66 ? 9.88722   -1.58201  32.10141  1.000 17.30154  ? 66  SER B O   1 
ATOM   1189 C CB  . SER B 1 66 ? 9.72582   0.97767   30.35491  1.000 16.21239  ? 66  SER B CB  1 
ATOM   1190 O OG  . SER B 1 66 ? 9.76941   1.67517   29.12130  1.000 15.93124  ? 66  SER B OG  1 
ATOM   1191 N N   . THR B 1 67 ? 11.77913  -0.40083  32.55086  1.000 16.77434  ? 67  THR B N   1 
ATOM   1192 C CA  . THR B 1 67 ? 11.88191  -0.70633  33.97394  1.000 17.60508  ? 67  THR B CA  1 
ATOM   1193 C C   . THR B 1 67 ? 12.27193  0.58518   34.67328  1.000 18.53962  ? 67  THR B C   1 
ATOM   1194 O O   . THR B 1 67 ? 13.24380  1.23306   34.27475  1.000 19.18732  ? 67  THR B O   1 
ATOM   1195 C CB  . THR B 1 67 ? 12.98039  -1.74349  34.23016  1.000 21.53455  ? 67  THR B CB  1 
ATOM   1196 O OG1 . THR B 1 67 ? 12.68059  -2.95390  33.53149  1.000 22.51888  ? 67  THR B OG1 1 
ATOM   1197 C CG2 . THR B 1 67 ? 13.08634  -2.04605  35.72650  1.000 24.71559  ? 67  THR B CG2 1 
ATOM   1198 N N   . GLY B 1 68 ? 11.51758  0.96317   35.70250  1.000 20.74587  ? 68  GLY B N   1 
ATOM   1199 C CA  . GLY B 1 68 ? 11.76323  2.25866   36.31816  1.000 19.37049  ? 68  GLY B CA  1 
ATOM   1200 C C   . GLY B 1 68 ? 11.61449  3.34654   35.27582  1.000 26.62200  ? 68  GLY B C   1 
ATOM   1201 O O   . GLY B 1 68 ? 10.62995  3.38415   34.52954  1.000 23.27750  ? 68  GLY B O   1 
ATOM   1202 N N   . THR B 1 69 ? 12.61316  4.22432   35.18788  1.000 21.23301  ? 69  THR B N   1 
ATOM   1203 C CA  . THR B 1 69 ? 12.63052  5.29001   34.19430  1.000 22.33937  ? 69  THR B CA  1 
ATOM   1204 C C   . THR B 1 69 ? 13.52914  4.98309   33.00243  1.000 22.16465  ? 69  THR B C   1 
ATOM   1205 O O   . THR B 1 69 ? 13.81979  5.88685   32.21178  1.000 26.76040  ? 69  THR B O   1 
ATOM   1206 C CB  . THR B 1 69 ? 13.04988  6.61322   34.83364  1.000 25.69926  ? 69  THR B CB  1 
ATOM   1207 O OG1 . THR B 1 69 ? 14.34708  6.46039   35.42345  1.000 30.18511  ? 69  THR B OG1 1 
ATOM   1208 C CG2 . THR B 1 69 ? 12.04436  7.04078   35.89791  1.000 32.04699  ? 69  THR B CG2 1 
ATOM   1209 N N   . THR B 1 70 ? 13.97912  3.74131   32.85334  1.000 18.37250  ? 70  THR B N   1 
ATOM   1210 C CA  . THR B 1 70 ? 14.87052  3.36212   31.76550  1.000 19.28067  ? 70  THR B CA  1 
ATOM   1211 C C   . THR B 1 70 ? 14.09223  2.55933   30.73188  1.000 17.55502  ? 70  THR B C   1 
ATOM   1212 O O   . THR B 1 70 ? 13.50804  1.51904   31.05616  1.000 19.85756  ? 70  THR B O   1 
ATOM   1213 C CB  . THR B 1 70 ? 16.05096  2.54195   32.28028  1.000 23.38698  ? 70  THR B CB  1 
ATOM   1214 O OG1 . THR B 1 70 ? 16.67843  3.23478   33.36691  1.000 26.91453  ? 70  THR B OG1 1 
ATOM   1215 C CG2 . THR B 1 70 ? 17.07374  2.34193   31.16938  1.000 32.66703  ? 70  THR B CG2 1 
ATOM   1216 N N   . THR B 1 71 ? 14.10248  3.03458   29.49422  1.000 17.46303  ? 71  THR B N   1 
ATOM   1217 C CA  . THR B 1 71 ? 13.48262  2.33917   28.37485  1.000 15.03610  ? 71  THR B CA  1 
ATOM   1218 C C   . THR B 1 71 ? 14.57022  1.88513   27.41362  1.000 14.53817  ? 71  THR B C   1 
ATOM   1219 O O   . THR B 1 71 ? 15.41756  2.68732   27.00341  1.000 18.55322  ? 71  THR B O   1 
ATOM   1220 C CB  . THR B 1 71 ? 12.51840  3.27504   27.64639  1.000 16.45245  ? 71  THR B CB  1 
ATOM   1221 O OG1 . THR B 1 71 ? 11.47437  3.67149   28.53569  1.000 18.97411  ? 71  THR B OG1 1 
ATOM   1222 C CG2 . THR B 1 71 ? 11.90583  2.58754   26.42745  1.000 16.48848  ? 71  THR B CG2 1 
ATOM   1223 N N   . THR B 1 72 ? 14.55569  0.59994   27.07137  1.000 15.45356  ? 72  THR B N   1 
ATOM   1224 C CA  . THR B 1 72 ? 15.51194  0.01506   26.14236  1.000 14.35995  ? 72  THR B CA  1 
ATOM   1225 C C   . THR B 1 72 ? 14.77705  -0.40367  24.87910  1.000 14.22204  ? 72  THR B C   1 
ATOM   1226 O O   . THR B 1 72 ? 13.72708  -1.04688  24.95680  1.000 14.38206  ? 72  THR B O   1 
ATOM   1227 C CB  . THR B 1 72 ? 16.16304  -1.21807  26.77255  1.000 16.05700  ? 72  THR B CB  1 
ATOM   1228 O OG1 . THR B 1 72 ? 16.76413  -0.84987  28.02176  1.000 17.44229  ? 72  THR B OG1 1 
ATOM   1229 C CG2 . THR B 1 72 ? 17.22737  -1.78870  25.86010  1.000 16.97914  ? 72  THR B CG2 1 
ATOM   1230 N N   . GLU B 1 73 ? 15.32952  -0.04333  23.72928  1.000 12.96116  ? 73  GLU B N   1 
ATOM   1231 C CA  . GLU B 1 73 ? 14.78828  -0.45666  22.44153  1.000 12.81409  ? 73  GLU B CA  1 
ATOM   1232 C C   . GLU B 1 73 ? 15.46360  -1.74210  21.98308  1.000 13.85975  ? 73  GLU B C   1 
ATOM   1233 O O   . GLU B 1 73 ? 16.69839  -1.84576  22.00285  1.000 14.98293  ? 73  GLU B O   1 
ATOM   1234 C CB  . GLU B 1 73 ? 15.03909  0.63363   21.40094  1.000 14.17755  ? 73  GLU B CB  1 
ATOM   1235 C CG  . GLU B 1 73 ? 14.53086  0.33218   19.99263  1.000 13.61759  ? 73  GLU B CG  1 
ATOM   1236 C CD  . GLU B 1 73 ? 14.99131  1.37184   18.98287  1.000 14.66368  ? 73  GLU B CD  1 
ATOM   1237 O OE1 . GLU B 1 73 ? 16.19875  1.71028   19.00964  1.000 14.76006  ? 73  GLU B OE1 1 
ATOM   1238 O OE2 . GLU B 1 73 ? 14.16602  1.85113   18.16599  1.000 13.55658  ? 73  GLU B OE2 1 
ATOM   1239 N N   . TRP B 1 74 ? 14.65713  -2.70854  21.55018  1.000 12.71728  ? 74  TRP B N   1 
ATOM   1240 C CA  . TRP B 1 74 ? 15.13920  -3.95498  20.97390  1.000 13.60942  ? 74  TRP B CA  1 
ATOM   1241 C C   . TRP B 1 74 ? 14.67812  -4.03257  19.52215  1.000 13.49252  ? 74  TRP B C   1 
ATOM   1242 O O   . TRP B 1 74 ? 13.52831  -3.70067  19.20984  1.000 13.49572  ? 74  TRP B O   1 
ATOM   1243 C CB  . TRP B 1 74 ? 14.62934  -5.14813  21.79510  1.000 14.48827  ? 74  TRP B CB  1 
ATOM   1244 C CG  . TRP B 1 74 ? 15.24641  -5.16740  23.15152  1.000 14.57850  ? 74  TRP B CG  1 
ATOM   1245 C CD1 . TRP B 1 74 ? 14.67936  -4.76140  24.31825  1.000 14.89771  ? 74  TRP B CD1 1 
ATOM   1246 C CD2 . TRP B 1 74 ? 16.58238  -5.57344  23.46705  1.000 14.76348  ? 74  TRP B CD2 1 
ATOM   1247 N NE1 . TRP B 1 74 ? 15.57672  -4.89768  25.35183  1.000 15.61169  ? 74  TRP B NE1 1 
ATOM   1248 C CE2 . TRP B 1 74 ? 16.75204  -5.39853  24.85334  1.000 15.43931  ? 74  TRP B CE2 1 
ATOM   1249 C CE3 . TRP B 1 74 ? 17.64901  -6.07177  22.71264  1.000 16.35515  ? 74  TRP B CE3 1 
ATOM   1250 C CZ2 . TRP B 1 74 ? 17.95253  -5.70679  25.50751  1.000 17.66874  ? 74  TRP B CZ2 1 
ATOM   1251 C CZ3 . TRP B 1 74 ? 18.84126  -6.38248  23.36250  1.000 18.28420  ? 74  TRP B CZ3 1 
ATOM   1252 C CH2 . TRP B 1 74 ? 18.98067  -6.19488  24.74282  1.000 19.10101  ? 74  TRP B CH2 1 
ATOM   1253 N N   . CYS B 1 75 ? 15.56693  -4.47146  18.63325  1.000 13.97375  ? 75  CYS B N   1 
ATOM   1254 C CA  . CYS B 1 75 ? 15.35005  -4.39339  17.19491  1.000 14.37293  ? 75  CYS B CA  1 
ATOM   1255 C C   . CYS B 1 75 ? 15.38624  -5.78209  16.57858  1.000 14.65538  ? 75  CYS B C   1 
ATOM   1256 O O   . CYS B 1 75 ? 16.33757  -6.54403  16.80936  1.000 16.49969  ? 75  CYS B O   1 
ATOM   1257 C CB  . CYS B 1 75 ? 16.46074  -3.56648  16.53991  1.000 15.69584  ? 75  CYS B CB  1 
ATOM   1258 S SG  . CYS B 1 75 ? 16.72088  -1.94959  17.26647  1.000 15.99952  ? 75  CYS B SG  1 
ATOM   1259 N N   . TRP B 1 76 ? 14.38974  -6.08732  15.75178  1.000 13.77972  ? 76  TRP B N   1 
ATOM   1260 C CA  . TRP B 1 76 ? 14.40902  -7.26820  14.90118  1.000 14.89962  ? 76  TRP B CA  1 
ATOM   1261 C C   . TRP B 1 76 ? 14.45413  -6.80608  13.45625  1.000 15.70072  ? 76  TRP B C   1 
ATOM   1262 O O   . TRP B 1 76 ? 13.53868  -6.12098  12.99109  1.000 15.53845  ? 76  TRP B O   1 
ATOM   1263 C CB  . TRP B 1 76 ? 13.17486  -8.14506  15.10508  1.000 16.03933  ? 76  TRP B CB  1 
ATOM   1264 C CG  . TRP B 1 76 ? 13.20131  -9.31324  14.16542  1.000 17.43375  ? 76  TRP B CG  1 
ATOM   1265 C CD1 . TRP B 1 76 ? 12.69671  -9.36738  12.88880  1.000 20.15038  ? 76  TRP B CD1 1 
ATOM   1266 C CD2 . TRP B 1 76 ? 13.78903  -10.58333 14.42107  1.000 19.24153  ? 76  TRP B CD2 1 
ATOM   1267 N NE1 . TRP B 1 76 ? 12.93701  -10.60591 12.34056  1.000 20.39753  ? 76  TRP B NE1 1 
ATOM   1268 C CE2 . TRP B 1 76 ? 13.60516  -11.37202 13.26166  1.000 17.71050  ? 76  TRP B CE2 1 
ATOM   1269 C CE3 . TRP B 1 76 ? 14.44961  -11.13734 15.52050  1.000 18.45464  ? 76  TRP B CE3 1 
ATOM   1270 C CZ2 . TRP B 1 76 ? 14.05776  -12.69349 13.17897  1.000 20.38012  ? 76  TRP B CZ2 1 
ATOM   1271 C CZ3 . TRP B 1 76 ? 14.89556  -12.44554 15.43770  1.000 20.11887  ? 76  TRP B CZ3 1 
ATOM   1272 C CH2 . TRP B 1 76 ? 14.70402  -13.20692 14.27633  1.000 20.55999  ? 76  TRP B CH2 1 
ATOM   1273 N N   . ASP B 1 77 ? 15.50513  -7.19937  12.74634  1.000 15.84986  ? 77  ASP B N   1 
ATOM   1274 C CA  . ASP B 1 77 ? 15.68326  -6.85573  11.34648  1.000 16.19804  ? 77  ASP B CA  1 
ATOM   1275 C C   . ASP B 1 77 ? 16.02517  -8.09476  10.53726  1.000 19.04046  ? 77  ASP B C   1 
ATOM   1276 O O   . ASP B 1 77 ? 16.70311  -8.00529  9.51154   1.000 23.04997  ? 77  ASP B O   1 
ATOM   1277 C CB  . ASP B 1 77 ? 16.73599  -5.76177  11.18987  1.000 18.64567  ? 77  ASP B CB  1 
ATOM   1278 C CG  . ASP B 1 77 ? 16.38550  -4.51436  11.98042  1.000 17.73756  ? 77  ASP B CG  1 
ATOM   1279 O OD1 . ASP B 1 77 ? 15.44686  -3.79256  11.57901  1.000 18.92798  ? 77  ASP B OD1 1 
ATOM   1280 O OD2 . ASP B 1 77 ? 17.01988  -4.28042  13.03702  1.000 22.35049  ? 77  ASP B OD2 1 
ATOM   1281 N N   . GLY B 1 78 ? 15.56167  -9.25596  10.99561  1.000 18.26156  ? 78  GLY B N   1 
ATOM   1282 C CA  . GLY B 1 78 ? 15.76586  -10.51483 10.30692  1.000 21.21782  ? 78  GLY B CA  1 
ATOM   1283 C C   . GLY B 1 78 ? 16.84527  -11.39959 10.89668  1.000 22.34205  ? 78  GLY B C   1 
ATOM   1284 O O   . GLY B 1 78 ? 16.91045  -12.57844 10.52721  1.000 26.57195  ? 78  GLY B O   1 
ATOM   1285 N N   . ASN B 1 79 ? 17.67741  -10.89408 11.80718  1.000 21.03723  ? 79  ASN B N   1 
ATOM   1286 C CA  . ASN B 1 79 ? 18.87774  -11.62040 12.23550  1.000 23.10082  ? 79  ASN B CA  1 
ATOM   1287 C C   . ASN B 1 79 ? 19.06772  -11.54998 13.74527  1.000 26.57193  ? 79  ASN B C   1 
ATOM   1288 O O   . ASN B 1 79 ? 20.16120  -11.27495 14.23910  1.000 26.96040  ? 79  ASN B O   1 
ATOM   1289 C CB  . ASN B 1 79 ? 20.13452  -11.07590 11.55494  1.000 28.33053  ? 79  ASN B CB  1 
ATOM   1290 C CG  . ASN B 1 79 ? 19.95011  -10.85320 10.07146  1.000 40.85307  ? 79  ASN B CG  1 
ATOM   1291 O OD1 . ASN B 1 79 ? 20.03827  -9.72275  9.58839   1.000 47.82972  ? 79  ASN B OD1 1 
ATOM   1292 N ND2 . ASN B 1 79 ? 19.69937  -11.93108 9.33712   1.000 43.59195  ? 79  ASN B ND2 1 
ATOM   1293 N N   . GLY B 1 80 ? 18.01264  -11.80629 14.50347  1.000 19.99127  ? 80  GLY B N   1 
ATOM   1294 C CA  . GLY B 1 80 ? 18.11899  -11.77658 15.94744  1.000 21.24655  ? 80  GLY B CA  1 
ATOM   1295 C C   . GLY B 1 80 ? 17.84642  -10.39905 16.53254  1.000 16.73831  ? 80  GLY B C   1 
ATOM   1296 O O   . GLY B 1 80 ? 17.87855  -9.37777  15.85088  1.000 19.45728  ? 80  GLY B O   1 
ATOM   1297 N N   . TRP B 1 81 ? 17.59699  -10.38317 17.83559  1.000 17.58113  ? 81  TRP B N   1 
ATOM   1298 C CA  . TRP B 1 81 ? 17.19034  -9.17330  18.53923  1.000 17.20174  ? 81  TRP B CA  1 
ATOM   1299 C C   . TRP B 1 81 ? 18.41276  -8.41622  19.04696  1.000 18.45581  ? 81  TRP B C   1 
ATOM   1300 O O   . TRP B 1 81 ? 19.13937  -8.91454  19.91735  1.000 22.35890  ? 81  TRP B O   1 
ATOM   1301 C CB  . TRP B 1 81 ? 16.28571  -9.54735  19.70776  1.000 17.35728  ? 81  TRP B CB  1 
ATOM   1302 C CG  . TRP B 1 81 ? 14.92372  -9.98257  19.28077  1.000 15.89769  ? 81  TRP B CG  1 
ATOM   1303 C CD1 . TRP B 1 81 ? 14.48074  -11.25851 19.10414  1.000 15.91119  ? 81  TRP B CD1 1 
ATOM   1304 C CD2 . TRP B 1 81 ? 13.83390  -9.12540  18.95350  1.000 14.70319  ? 81  TRP B CD2 1 
ATOM   1305 N NE1 . TRP B 1 81 ? 13.16357  -11.24925 18.71672  1.000 15.29108  ? 81  TRP B NE1 1 
ATOM   1306 C CE2 . TRP B 1 81 ? 12.74621  -9.94616  18.61102  1.000 13.35733  ? 81  TRP B CE2 1 
ATOM   1307 C CE3 . TRP B 1 81 ? 13.66393  -7.73482  18.94312  1.000 14.01040  ? 81  TRP B CE3 1 
ATOM   1308 C CZ2 . TRP B 1 81 ? 11.50353  -9.42454  18.24859  1.000 13.61426  ? 81  TRP B CZ2 1 
ATOM   1309 C CZ3 . TRP B 1 81 ? 12.43248  -7.22142  18.59210  1.000 13.17822  ? 81  TRP B CZ3 1 
ATOM   1310 C CH2 . TRP B 1 81 ? 11.36905  -8.06312  18.24423  1.000 14.02503  ? 81  TRP B CH2 1 
ATOM   1311 N N   . THR B 1 82 ? 18.61137  -7.19961  18.54105  1.000 18.77367  ? 82  THR B N   1 
ATOM   1312 C CA  . THR B 1 82 ? 19.76463  -6.37681  18.87912  1.000 16.71253  ? 82  THR B CA  1 
ATOM   1313 C C   . THR B 1 82 ? 19.31518  -5.11906  19.60772  1.000 18.38608  ? 82  THR B C   1 
ATOM   1314 O O   . THR B 1 82 ? 18.20294  -4.63125  19.40400  1.000 17.34710  ? 82  THR B O   1 
ATOM   1315 C CB  . THR B 1 82 ? 20.53472  -5.96608  17.61016  1.000 19.70609  ? 82  THR B CB  1 
ATOM   1316 O OG1 . THR B 1 82 ? 19.67957  -5.20880  16.74234  1.000 21.32424  ? 82  THR B OG1 1 
ATOM   1317 C CG2 . THR B 1 82 ? 21.03170  -7.19513  16.86954  1.000 20.81657  ? 82  THR B CG2 1 
ATOM   1318 N N   . LYS B 1 83 ? 20.18998  -4.58199  20.45190  1.000 17.59420  ? 83  LYS B N   1 
ATOM   1319 C CA  . LYS B 1 83 ? 19.84730  -3.36520  21.17314  1.000 15.72684  ? 83  LYS B CA  1 
ATOM   1320 C C   . LYS B 1 83 ? 19.88237  -2.16044  20.23826  1.000 17.36940  ? 83  LYS B C   1 
ATOM   1321 O O   . LYS B 1 83 ? 20.83106  -1.98214  19.46943  1.000 20.90410  ? 83  LYS B O   1 
ATOM   1322 C CB  . LYS B 1 83 ? 20.78765  -3.15857  22.36277  1.000 22.11780  ? 83  LYS B CB  1 
ATOM   1323 C CG  . LYS B 1 83 ? 20.29132  -2.10141  23.34271  1.000 24.24115  ? 83  LYS B CG  1 
ATOM   1324 C CD  . LYS B 1 83 ? 21.27905  -1.83812  24.47042  1.000 37.00204  ? 83  LYS B CD  1 
ATOM   1325 C CE  . LYS B 1 83 ? 21.28403  -2.96957  25.47544  1.000 35.51249  ? 83  LYS B CE  1 
ATOM   1326 N NZ  . LYS B 1 83 ? 22.06302  -2.61258  26.69325  1.000 65.21749  ? 83  LYS B NZ  1 
ATOM   1327 N N   . GLY B 1 84 ? 18.82406  -1.33283  20.29238  1.000 16.05822  ? 84  GLY B N   1 
ATOM   1328 C CA  . GLY B 1 84 ? 18.73225  -0.15952  19.44724  1.000 15.42660  ? 84  GLY B CA  1 
ATOM   1329 C C   . GLY B 1 84 ? 19.35230  1.07324   20.07744  1.000 15.93293  ? 84  GLY B C   1 
ATOM   1330 O O   . GLY B 1 84 ? 19.69323  1.09336   21.25299  1.000 16.80307  ? 84  GLY B O   1 
ATOM   1331 N N   . ALA B 1 85 ? 19.46664  2.12795   19.26668  1.000 14.78682  ? 85  ALA B N   1 
ATOM   1332 C CA  . ALA B 1 85 ? 20.09045  3.37535   19.69452  1.000 16.20429  ? 85  ALA B CA  1 
ATOM   1333 C C   . ALA B 1 85 ? 19.16576  4.27386   20.51103  1.000 16.50783  ? 85  ALA B C   1 
ATOM   1334 O O   . ALA B 1 85 ? 19.62785  5.30000   21.02820  1.000 17.97233  ? 85  ALA B O   1 
ATOM   1335 C CB  . ALA B 1 85 ? 20.61653  4.14289   18.47914  1.000 19.84066  ? 85  ALA B CB  1 
ATOM   1336 N N   . TYR B 1 86 ? 17.88426  3.91954   20.65608  1.000 15.13354  ? 86  TYR B N   1 
ATOM   1337 C CA  . TYR B 1 86 ? 16.94152  4.76065   21.39018  1.000 15.50454  ? 86  TYR B CA  1 
ATOM   1338 C C   . TYR B 1 86 ? 17.47275  5.15139   22.76307  1.000 16.68674  ? 86  TYR B C   1 
ATOM   1339 O O   . TYR B 1 86 ? 17.94990  4.30640   23.52694  1.000 16.77401  ? 86  TYR B O   1 
ATOM   1340 C CB  . TYR B 1 86 ? 15.61238  4.02214   21.57971  1.000 14.04922  ? 86  TYR B CB  1 
ATOM   1341 C CG  . TYR B 1 86 ? 14.61120  4.80676   22.39877  1.000 12.77918  ? 86  TYR B CG  1 
ATOM   1342 C CD1 . TYR B 1 86 ? 13.75340  5.71274   21.79874  1.000 14.21336  ? 86  TYR B CD1 1 
ATOM   1343 C CD2 . TYR B 1 86 ? 14.55298  4.67809   23.78017  1.000 16.68212  ? 86  TYR B CD2 1 
ATOM   1344 C CE1 . TYR B 1 86 ? 12.84651  6.44348   22.52912  1.000 14.81458  ? 86  TYR B CE1 1 
ATOM   1345 C CE2 . TYR B 1 86 ? 13.65122  5.42534   24.53110  1.000 15.94929  ? 86  TYR B CE2 1 
ATOM   1346 C CZ  . TYR B 1 86 ? 12.80581  6.30762   23.89717  1.000 15.66609  ? 86  TYR B CZ  1 
ATOM   1347 O OH  . TYR B 1 86 ? 11.90257  7.05069   24.63241  1.000 18.03192  ? 86  TYR B OH  1 
ATOM   1348 N N   . THR B 1 87 ? 17.34590  6.43721   23.08183  1.000 18.00182  ? 87  THR B N   1 
ATOM   1349 C CA  . THR B 1 87 ? 17.55407  6.95120   24.42675  1.000 19.47701  ? 87  THR B CA  1 
ATOM   1350 C C   . THR B 1 87 ? 16.42869  7.92611   24.72733  1.000 17.81302  ? 87  THR B C   1 
ATOM   1351 O O   . THR B 1 87 ? 15.81059  8.48912   23.81953  1.000 19.21749  ? 87  THR B O   1 
ATOM   1352 C CB  . THR B 1 87 ? 18.88691  7.70158   24.56825  1.000 25.19928  ? 87  THR B CB  1 
ATOM   1353 O OG1 . THR B 1 87 ? 18.93097  8.76733   23.60952  1.000 23.83722  ? 87  THR B OG1 1 
ATOM   1354 C CG2 . THR B 1 87 ? 20.06753  6.76605   24.35089  1.000 23.60718  ? 87  THR B CG2 1 
ATOM   1355 N N   . ALA B 1 88 ? 16.17562  8.13525   26.01614  1.000 21.50642  ? 88  ALA B N   1 
ATOM   1356 C CA  . ALA B 1 88 ? 15.12692  9.04294   26.44942  1.000 23.65336  ? 88  ALA B CA  1 
ATOM   1357 C C   . ALA B 1 88 ? 15.71382  10.42249  26.73812  0.000 59.15217  ? 88  ALA B C   1 
ATOM   1358 O O   . ALA B 1 88 ? 16.89375  10.68755  26.48806  0.000 63.09305  ? 88  ALA B O   1 
ATOM   1359 C CB  . ALA B 1 88 ? 14.39366  8.45788   27.65846  1.000 45.11293  ? 88  ALA B CB  1 
ATOM   1360 N N   . THR B 1 89 ? 14.88074  11.31426  27.27354  0.000 60.83278  ? 89  THR B N   1 
ATOM   1361 C CA  . THR B 1 89 ? 15.30302  12.67435  27.58729  0.000 50.50372  ? 89  THR B CA  1 
ATOM   1362 C C   . THR B 1 89 ? 16.42272  12.66680  28.61956  0.000 61.41192  ? 89  THR B C   1 
ATOM   1363 O O   . THR B 1 89 ? 16.17030  12.53576  29.82189  0.000 66.31302  ? 89  THR B O   1 
ATOM   1364 C CB  . THR B 1 89 ? 14.11801  13.50457  28.08905  0.000 45.03385  ? 89  THR B CB  1 
ATOM   1365 O OG1 . THR B 1 89 ? 13.08645  13.51941  27.09420  0.000 48.04309  ? 89  THR B OG1 1 
ATOM   1366 C CG2 . THR B 1 89 ? 14.55317  14.93345  28.37827  0.000 56.34281  ? 89  THR B CG2 1 
ATOM   1367 N N   . ASN B 1 90 ? 17.66092  12.79695  28.15549  0.000 29.95425  ? 90  ASN B N   1 
ATOM   1368 C CA  . ASN B 1 90 ? 18.81845  12.79874  29.04020  0.000 29.95319  ? 90  ASN B CA  1 
ATOM   1369 C C   . ASN B 1 90 ? 20.01417  13.44271  28.34549  0.000 29.95319  ? 90  ASN B C   1 
ATOM   1370 O O   . ASN B 1 90 ? 19.89944  14.52596  27.77056  0.000 29.95319  ? 90  ASN B O   1 
ATOM   1371 C CB  . ASN B 1 90 ? 19.16070  11.37247  29.47866  0.000 29.95319  ? 90  ASN B CB  1 
ATOM   1372 C CG  . ASN B 1 90 ? 20.18148  11.33403  30.60051  0.000 29.95319  ? 90  ASN B CG  1 
ATOM   1373 O OD1 . ASN B 1 90 ? 20.58477  12.37139  31.12693  0.000 29.95319  ? 90  ASN B OD1 1 
ATOM   1374 N ND2 . ASN B 1 90 ? 20.59588  10.13083  30.98049  0.000 29.95319  ? 90  ASN B ND2 1 
HETATM 1375 C C1  . BDF C 2 .  ? 22.84888  -21.45839 11.93299  1.000 18.50162  ? 101 BDF A C1  1 
HETATM 1376 C C2  . BDF C 2 .  ? 23.66437  -20.19288 11.72581  1.000 19.18420  ? 101 BDF A C2  1 
HETATM 1377 C C3  . BDF C 2 .  ? 23.92401  -19.92504 10.23695  1.000 16.64275  ? 101 BDF A C3  1 
HETATM 1378 C C4  . BDF C 2 .  ? 24.87659  -18.74420 10.08202  1.000 16.19073  ? 101 BDF A C4  1 
HETATM 1379 C C5  . BDF C 2 .  ? 26.16094  -19.00375 10.85846  1.000 15.21873  ? 101 BDF A C5  1 
HETATM 1380 C C6  . BDF C 2 .  ? 25.81871  -19.30458 12.30409  1.000 15.78341  ? 101 BDF A C6  1 
HETATM 1381 O O1  . BDF C 2 .  ? 22.43429  -21.58328 13.28510  1.000 26.39427  ? 101 BDF A O1  1 
HETATM 1382 O O2  . BDF C 2 .  ? 23.01621  -19.07146 12.26197  1.000 20.08783  ? 101 BDF A O2  1 
HETATM 1383 O O3  . BDF C 2 .  ? 22.69798  -19.66731 9.55466   1.000 19.86920  ? 101 BDF A O3  1 
HETATM 1384 O O4  . BDF C 2 .  ? 25.12364  -18.50476 8.70100   1.000 15.08311  ? 101 BDF A O4  1 
HETATM 1385 O O5  . BDF C 2 .  ? 26.86478  -20.12882 10.32963  1.000 15.48633  ? 101 BDF A O5  1 
HETATM 1386 O O6  . BDF C 2 .  ? 24.90390  -20.40732 12.39689  1.000 16.54469  ? 101 BDF A O6  1 
HETATM 1387 C C1  . BDF D 2 .  ? 34.22848  -6.84316  12.20665  1.000 19.57264  ? 102 BDF A C1  1 
HETATM 1388 C C2  . BDF D 2 .  ? 35.74022  -6.76353  12.07415  1.000 18.26325  ? 102 BDF A C2  1 
HETATM 1389 C C3  . BDF D 2 .  ? 36.17448  -6.74592  10.60219  1.000 17.41773  ? 102 BDF A C3  1 
HETATM 1390 C C4  . BDF D 2 .  ? 37.68974  -6.87867  10.49853  1.000 16.02171  ? 102 BDF A C4  1 
HETATM 1391 C C5  . BDF D 2 .  ? 38.14536  -8.13798  11.22052  1.000 14.17836  ? 102 BDF A C5  1 
HETATM 1392 C C6  . BDF D 2 .  ? 37.67199  -8.07830  12.65921  1.000 16.73085  ? 102 BDF A C6  1 
HETATM 1393 O O1  . BDF D 2 .  ? 33.82355  -6.63103  13.55361  1.000 29.84122  ? 102 BDF A O1  1 
HETATM 1394 O O2  . BDF D 2 .  ? 36.24601  -5.60348  12.68016  1.000 22.85427  ? 102 BDF A O2  1 
HETATM 1395 O O3  . BDF D 2 .  ? 35.74742  -5.53802  9.97679   1.000 18.38033  ? 102 BDF A O3  1 
HETATM 1396 O O4  . BDF D 2 .  ? 38.08605  -6.88172  9.13118   1.000 15.33834  ? 102 BDF A O4  1 
HETATM 1397 O O5  . BDF D 2 .  ? 37.57372  -9.30727  10.62901  1.000 15.35693  ? 102 BDF A O5  1 
HETATM 1398 O O6  . BDF D 2 .  ? 36.24654  -7.93116  12.71955  1.000 18.15135  ? 102 BDF A O6  1 
HETATM 1399 C C39 . 7AZ E 3 .  ? 25.67152  -14.91560 -5.52644  1.000 18.56888  ? 103 7AZ A C39 1 
HETATM 1400 C C40 . 7AZ E 3 .  ? 24.23097  -15.24625 -5.18430  1.000 19.00467  ? 103 7AZ A C40 1 
HETATM 1401 C C26 . 7AZ E 3 .  ? 20.60636  -7.42785  -0.07718  1.000 24.44637  ? 103 7AZ A C26 1 
HETATM 1402 C C27 . 7AZ E 3 .  ? 21.23782  -8.91944  -1.87924  1.000 20.46829  ? 103 7AZ A C27 1 
HETATM 1403 C C28 . 7AZ E 3 .  ? 20.87922  -9.68965  -3.13806  1.000 20.50943  ? 103 7AZ A C28 1 
HETATM 1404 C C29 . 7AZ E 3 .  ? 20.35815  -11.08487 -2.83802  1.000 20.66041  ? 103 7AZ A C29 1 
HETATM 1405 C C30 . 7AZ E 3 .  ? 19.36616  -13.63058 -2.26892  1.000 22.54162  ? 103 7AZ A C30 1 
HETATM 1406 C C31 . 7AZ E 3 .  ? 21.21487  -12.19125 -2.76105  1.000 20.08291  ? 103 7AZ A C31 1 
HETATM 1407 C C32 . 7AZ E 3 .  ? 19.00176  -11.28330 -2.62242  1.000 21.71965  ? 103 7AZ A C32 1 
HETATM 1408 C C33 . 7AZ E 3 .  ? 18.49431  -12.54781 -2.34038  1.000 23.41627  ? 103 7AZ A C33 1 
HETATM 1409 C C34 . 7AZ E 3 .  ? 20.72715  -13.47465 -2.48988  1.000 19.78643  ? 103 7AZ A C34 1 
HETATM 1410 C C35 . 7AZ E 3 .  ? 21.65842  -14.67229 -2.39083  1.000 19.47858  ? 103 7AZ A C35 1 
HETATM 1411 O O38 . 7AZ E 3 .  ? 25.97635  -9.71936  -1.35123  1.000 18.81318  ? 103 7AZ A O38 1 
HETATM 1412 C C1  . 7AZ E 3 .  ? 26.60058  -13.05599 -8.73097  1.000 20.17230  ? 103 7AZ A C1  1 
HETATM 1413 C C2  . 7AZ E 3 .  ? 25.57321  -12.47283 -6.21355  1.000 17.79406  ? 103 7AZ A C2  1 
HETATM 1414 C C3  . 7AZ E 3 .  ? 26.29901  -11.74267 -8.37753  1.000 20.39600  ? 103 7AZ A C3  1 
HETATM 1415 C C4  . 7AZ E 3 .  ? 26.39394  -14.07252 -7.79913  1.000 18.84955  ? 103 7AZ A C4  1 
HETATM 1416 C C5  . 7AZ E 3 .  ? 25.87467  -13.80011 -6.53822  1.000 18.08814  ? 103 7AZ A C5  1 
HETATM 1417 C C6  . 7AZ E 3 .  ? 25.78045  -11.43229 -7.12651  1.000 18.45274  ? 103 7AZ A C6  1 
HETATM 1418 C C7  . 7AZ E 3 .  ? 25.45304  -9.99108  -6.76639  1.000 17.30644  ? 103 7AZ A C7  1 
HETATM 1419 C C8  . 7AZ E 3 .  ? 26.63221  -9.25993  -6.14468  1.000 17.98308  ? 103 7AZ A C8  1 
HETATM 1420 C C9  . 7AZ E 3 .  ? 28.81810  -7.93534  -5.02659  1.000 21.09703  ? 103 7AZ A C9  1 
HETATM 1421 C C10 . 7AZ E 3 .  ? 27.54280  -8.58959  -6.95301  1.000 21.12135  ? 103 7AZ A C10 1 
HETATM 1422 C C11 . 7AZ E 3 .  ? 26.83792  -9.25856  -4.75767  1.000 17.28184  ? 103 7AZ A C11 1 
HETATM 1423 C C12 . 7AZ E 3 .  ? 27.92992  -8.58882  -4.18949  1.000 18.63098  ? 103 7AZ A C12 1 
HETATM 1424 C C13 . 7AZ E 3 .  ? 28.64008  -7.92914  -6.40301  1.000 22.48416  ? 103 7AZ A C13 1 
HETATM 1425 C C14 . 7AZ E 3 .  ? 28.19253  -8.58540  -2.69659  1.000 18.83576  ? 103 7AZ A C14 1 
HETATM 1426 C C15 . 7AZ E 3 .  ? 27.28129  -7.77704  -1.79544  1.000 18.79667  ? 103 7AZ A C15 1 
HETATM 1427 C C16 . 7AZ E 3 .  ? 25.62963  -6.33354  -0.07632  1.000 21.15246  ? 103 7AZ A C16 1 
HETATM 1428 C C17 . 7AZ E 3 .  ? 27.51159  -6.42713  -1.56999  1.000 21.22910  ? 103 7AZ A C17 1 
HETATM 1429 C C18 . 7AZ E 3 .  ? 26.21824  -8.39577  -1.13583  1.000 19.52285  ? 103 7AZ A C18 1 
HETATM 1430 C C19 . 7AZ E 3 .  ? 25.37706  -7.68049  -0.28230  1.000 20.22810  ? 103 7AZ A C19 1 
HETATM 1431 C C20 . 7AZ E 3 .  ? 26.68320  -5.69347  -0.72215  1.000 22.67425  ? 103 7AZ A C20 1 
HETATM 1432 C C21 . 7AZ E 3 .  ? 24.24098  -8.37601  0.43996   1.000 21.38284  ? 103 7AZ A C21 1 
HETATM 1433 C C22 . 7AZ E 3 .  ? 22.85871  -8.29420  -0.17202  1.000 20.79832  ? 103 7AZ A C22 1 
HETATM 1434 C C23 . 7AZ E 3 .  ? 20.28956  -8.13047  -1.23849  1.000 22.81872  ? 103 7AZ A C23 1 
HETATM 1435 C C24 . 7AZ E 3 .  ? 22.52448  -8.99695  -1.33512  1.000 19.23488  ? 103 7AZ A C24 1 
HETATM 1436 C C25 . 7AZ E 3 .  ? 21.89066  -7.51994  0.44359   1.000 22.83890  ? 103 7AZ A C25 1 
HETATM 1437 O O72 . 7AZ E 3 .  ? 22.04153  -17.61470 -8.16455  1.000 24.69359  ? 103 7AZ A O72 1 
HETATM 1438 P P51 . 7AZ E 3 .  ? 21.19918  -17.32317 -6.94199  1.000 21.12426  ? 103 7AZ A P51 1 
HETATM 1439 O O52 . 7AZ E 3 .  ? 19.99382  -16.53850 -7.39142  1.000 23.60734  ? 103 7AZ A O52 1 
HETATM 1440 O O63 . 7AZ E 3 .  ? 20.85804  -18.61206 -6.25166  1.000 23.53497  ? 103 7AZ A O63 1 
HETATM 1441 C C44 . 7AZ E 3 .  ? 22.15108  -16.31931 -5.78978  1.000 18.91607  ? 103 7AZ A C44 1 
HETATM 1442 C C43 . 7AZ E 3 .  ? 23.47327  -15.99525 -6.07119  1.000 18.48197  ? 103 7AZ A C43 1 
HETATM 1443 P P49 . 7AZ E 3 .  ? 27.28568  -13.42451 -10.37064 1.000 23.11055  ? 103 7AZ A P49 1 
HETATM 1444 O O62 . 7AZ E 3 .  ? 27.77997  -14.85088 -10.37418 1.000 27.56767  ? 103 7AZ A O62 1 
HETATM 1445 O O61 . 7AZ E 3 .  ? 28.42363  -12.46727 -10.61322 1.000 29.18959  ? 103 7AZ A O61 1 
HETATM 1446 O O50 . 7AZ E 3 .  ? 26.22560  -13.20038 -11.40828 1.000 29.20436  ? 103 7AZ A O50 1 
HETATM 1447 C C41 . 7AZ E 3 .  ? 21.58005  -15.88191 -4.59840  1.000 18.37991  ? 103 7AZ A C41 1 
HETATM 1448 C C45 . 7AZ E 3 .  ? 22.30802  -15.13173 -3.68550  1.000 19.28037  ? 103 7AZ A C45 1 
HETATM 1449 C C42 . 7AZ E 3 .  ? 23.63884  -14.81635 -3.98910  1.000 18.47767  ? 103 7AZ A C42 1 
HETATM 1450 O O48 . 7AZ E 3 .  ? 24.37171  -14.09698 -3.08767  1.000 19.71585  ? 103 7AZ A O48 1 
HETATM 1451 O O47 . 7AZ E 3 .  ? 22.55691  -12.04882 -2.95649  1.000 20.79778  ? 103 7AZ A O47 1 
HETATM 1452 P P53 . 7AZ E 3 .  ? 16.72657  -12.77218 -2.04085  1.000 29.35113  ? 103 7AZ A P53 1 
HETATM 1453 O O65 . 7AZ E 3 .  ? 16.48133  -12.52140 -0.58012  1.000 33.18203  ? 103 7AZ A O65 1 
HETATM 1454 O O64 . 7AZ E 3 .  ? 15.96073  -11.79861 -2.89336  1.000 31.85255  ? 103 7AZ A O64 1 
HETATM 1455 O O54 . 7AZ E 3 .  ? 16.34913  -14.18934 -2.38286  1.000 31.52838  ? 103 7AZ A O54 1 
HETATM 1456 O O46 . 7AZ E 3 .  ? 23.46224  -9.77629  -1.95270  1.000 18.70082  ? 103 7AZ A O46 1 
HETATM 1457 P P55 . 7AZ E 3 .  ? 19.37816  -6.40726  0.76437   1.000 31.03706  ? 103 7AZ A P55 1 
HETATM 1458 O O69 . 7AZ E 3 .  ? 18.32938  -5.99204  -0.22518  1.000 32.33994  ? 103 7AZ A O69 1 
HETATM 1459 O O68 . 7AZ E 3 .  ? 20.08249  -5.21957  1.37406   1.000 35.24127  ? 103 7AZ A O68 1 
HETATM 1460 O O56 . 7AZ E 3 .  ? 18.77063  -7.23587  1.86646   1.000 35.89502  ? 103 7AZ A O56 1 
HETATM 1461 P P57 . 7AZ E 3 .  ? 26.96724  -3.93186  -0.45345  1.000 26.56263  ? 103 7AZ A P57 1 
HETATM 1462 O O67 . 7AZ E 3 .  ? 26.78953  -3.64858  1.01495   1.000 30.83933  ? 103 7AZ A O67 1 
HETATM 1463 O O66 . 7AZ E 3 .  ? 25.94909  -3.16634  -1.26609  1.000 29.27405  ? 103 7AZ A O66 1 
HETATM 1464 O O58 . 7AZ E 3 .  ? 28.36484  -3.60595  -0.90691  1.000 29.88061  ? 103 7AZ A O58 1 
HETATM 1465 P P59 . 7AZ E 3 .  ? 29.82464  -7.05485  -7.44534  1.000 24.05725  ? 103 7AZ A P59 1 
HETATM 1466 O O71 . 7AZ E 3 .  ? 31.01575  -6.65984  -6.61397  1.000 34.14092  ? 103 7AZ A O71 1 
HETATM 1467 O O70 . 7AZ E 3 .  ? 30.23558  -7.97302  -8.57242  1.000 33.84925  ? 103 7AZ A O70 1 
HETATM 1468 O O60 . 7AZ E 3 .  ? 29.14240  -5.83815  -8.02183  1.000 32.74195  ? 103 7AZ A O60 1 
HETATM 1469 O O37 . 7AZ E 3 .  ? 25.94662  -9.91606  -3.96113  1.000 17.94665  ? 103 7AZ A O37 1 
HETATM 1470 O O36 . 7AZ E 3 .  ? 25.06679  -12.19876 -4.97749  1.000 18.03206  ? 103 7AZ A O36 1 
HETATM 1471 C C39 . 7AZ F 3 .  ? 18.94828  -34.27971 19.78575  1.000 19.94686  ? 104 7AZ A C39 1 
HETATM 1472 C C40 . 7AZ F 3 .  ? 18.62042  -34.67205 18.35831  1.000 19.24586  ? 104 7AZ A C40 1 
HETATM 1473 C C26 . 7AZ F 3 .  ? 23.24262  -41.79180 20.75748  1.000 31.64602  ? 104 7AZ A C26 1 
HETATM 1474 C C27 . 7AZ F 3 .  ? 23.15893  -40.23372 18.90962  1.000 30.64575  ? 104 7AZ A C27 1 
HETATM 1475 C C28 . 7AZ F 3 .  ? 23.26265  -39.96508 17.42109  1.000 25.82689  ? 104 7AZ A C28 1 
HETATM 1476 C C29 . 7AZ F 3 .  ? 22.00890  -39.58918 16.65427  1.000 23.72182  ? 104 7AZ A C29 1 
HETATM 1477 C C30 . 7AZ F 3 .  ? 19.74119  -38.89569 15.18349  1.000 23.94008  ? 104 7AZ A C30 1 
HETATM 1478 C C31 . 7AZ F 3 .  ? 21.69990  -38.25057 16.39992  1.000 20.62015  ? 104 7AZ A C31 1 
HETATM 1479 C C32 . 7AZ F 3 .  ? 21.16760  -40.57020 16.14996  1.000 23.19712  ? 104 7AZ A C32 1 
HETATM 1480 C C33 . 7AZ F 3 .  ? 20.03165  -40.23570 15.41792  1.000 24.73464  ? 104 7AZ A C33 1 
HETATM 1481 C C34 . 7AZ F 3 .  ? 20.56557  -37.89250 15.66923  1.000 25.26069  ? 104 7AZ A C34 1 
HETATM 1482 C C35 . 7AZ F 3 .  ? 20.25965  -36.43657 15.38062  1.000 21.94401  ? 104 7AZ A C35 1 
HETATM 1483 O O38 . 7AZ F 3 .  ? 23.69530  -36.00266 20.88582  1.000 24.94188  ? 104 7AZ A O38 1 
HETATM 1484 C C1  . 7AZ F 3 .  ? 19.27946  -30.52678 20.30672  1.000 25.51181  ? 104 7AZ A C1  1 
HETATM 1485 C C2  . 7AZ F 3 .  ? 20.94119  -32.69227 19.80785  1.000 21.89990  ? 104 7AZ A C2  1 
HETATM 1486 C C3  . 7AZ F 3 .  ? 20.65209  -30.34552 20.18836  1.000 26.40742  ? 104 7AZ A C3  1 
HETATM 1487 C C4  . 7AZ F 3 .  ? 18.74367  -31.80371 20.17082  1.000 21.87077  ? 104 7AZ A C4  1 
HETATM 1488 C C5  . 7AZ F 3 .  ? 19.55940  -32.89716 19.92025  1.000 21.20973  ? 104 7AZ A C5  1 
HETATM 1489 C C6  . 7AZ F 3 .  ? 21.49795  -31.41753 19.95665  1.000 20.59068  ? 104 7AZ A C6  1 
HETATM 1490 C C7  . 7AZ F 3 .  ? 22.98943  -31.17802 19.81113  1.000 25.50136  ? 104 7AZ A C7  1 
HETATM 1491 C C8  . 7AZ F 3 .  ? 23.86739  -31.71477 20.92536  1.000 22.32152  ? 104 7AZ A C8  1 
HETATM 1492 C C9  . 7AZ F 3 .  ? 25.50629  -32.68475 22.96431  1.000 22.31142  ? 104 7AZ A C9  1 
HETATM 1493 C C10 . 7AZ F 3 .  ? 24.01634  -31.00517 22.10785  1.000 23.08745  ? 104 7AZ A C10 1 
HETATM 1494 C C11 . 7AZ F 3 .  ? 24.55842  -32.91981 20.77840  1.000 20.23495  ? 104 7AZ A C11 1 
HETATM 1495 C C12 . 7AZ F 3 .  ? 25.37548  -33.41961 21.79613  1.000 23.36845  ? 104 7AZ A C12 1 
HETATM 1496 C C13 . 7AZ F 3 .  ? 24.82758  -31.48220 23.13301  1.000 25.83148  ? 104 7AZ A C13 1 
HETATM 1497 C C14 . 7AZ F 3 .  ? 26.12884  -34.72397 21.62162  1.000 23.98356  ? 104 7AZ A C14 1 
HETATM 1498 C C15 . 7AZ F 3 .  ? 25.57376  -35.93904 22.34140  1.000 34.11504  ? 104 7AZ A C15 1 
HETATM 1499 C C16 . 7AZ F 3 .  ? 24.58422  -38.18354 23.66914  1.000 32.23456  ? 104 7AZ A C16 1 
HETATM 1500 C C17 . 7AZ F 3 .  ? 26.26232  -36.48525 23.41524  1.000 41.56528  ? 104 7AZ A C17 1 
HETATM 1501 C C18 . 7AZ F 3 .  ? 24.37637  -36.53831 21.93834  1.000 27.52538  ? 104 7AZ A C18 1 
HETATM 1502 C C19 . 7AZ F 3 .  ? 23.87055  -37.66321 22.60037  1.000 25.71514  ? 104 7AZ A C19 1 
HETATM 1503 C C20 . 7AZ F 3 .  ? 25.78051  -37.60727 24.08209  1.000 31.55814  ? 104 7AZ A C20 1 
HETATM 1504 C C21 . 7AZ F 3 .  ? 22.57295  -38.31939 22.16941  1.000 25.93525  ? 104 7AZ A C21 1 
HETATM 1505 C C22 . 7AZ F 3 .  ? 22.83168  -39.44775 21.19056  1.000 22.64151  ? 104 7AZ A C22 1 
HETATM 1506 C C23 . 7AZ F 3 .  ? 23.32254  -41.52242 19.39521  1.000 30.26287  ? 104 7AZ A C23 1 
HETATM 1507 C C24 . 7AZ F 3 .  ? 22.92211  -39.19917 19.81902  1.000 21.91853  ? 104 7AZ A C24 1 
HETATM 1508 C C25 . 7AZ F 3 .  ? 23.00319  -40.74741 21.64405  1.000 26.48087  ? 104 7AZ A C25 1 
HETATM 1509 O O72 . 7AZ F 3 .  ? 15.50562  -32.85674 15.37319  1.000 47.40382  ? 104 7AZ A O72 1 
HETATM 1510 P P51 . 7AZ F 3 .  ? 15.46451  -34.30669 15.78837  1.000 28.44359  ? 104 7AZ A P51 1 
HETATM 1511 O O52 . 7AZ F 3 .  ? 15.21876  -35.22293 14.62042  1.000 41.37510  ? 104 7AZ A O52 1 
HETATM 1512 O O63 . 7AZ F 3 .  ? 14.40970  -34.52414 16.83751  1.000 39.99574  ? 104 7AZ A O63 1 
HETATM 1513 C C44 . 7AZ F 3 .  ? 17.06788  -34.71969 16.50332  1.000 24.30324  ? 104 7AZ A C44 1 
HETATM 1514 C C43 . 7AZ F 3 .  ? 17.38314  -34.36250 17.81168  1.000 21.51840  ? 104 7AZ A C43 1 
HETATM 1515 P P49 . 7AZ F 3 .  ? 18.21073  -29.11317 20.61068  1.000 29.23513  ? 104 7AZ A P49 1 
HETATM 1516 O O62 . 7AZ F 3 .  ? 18.92701  -28.16600 21.53143  1.000 27.34304  ? 104 7AZ A O62 1 
HETATM 1517 O O61 . 7AZ F 3 .  ? 17.90144  -28.48050 19.27783  1.000 41.54988  ? 104 7AZ A O61 1 
HETATM 1518 O O50 . 7AZ F 3 .  ? 16.95032  -29.60764 21.27760  1.000 51.54582  ? 104 7AZ A O50 1 
HETATM 1519 C C41 . 7AZ F 3 .  ? 18.01251  -35.38697 15.73493  1.000 19.32442  ? 104 7AZ A C41 1 
HETATM 1520 C C45 . 7AZ F 3 .  ? 19.24948  -35.72559 16.25674  1.000 18.47464  ? 104 7AZ A C45 1 
HETATM 1521 C C42 . 7AZ F 3 .  ? 19.55569  -35.34499 17.56673  1.000 20.50933  ? 104 7AZ A C42 1 
HETATM 1522 O O48 . 7AZ F 3 .  ? 20.77774  -35.65366 18.09450  1.000 20.81089  ? 104 7AZ A O48 1 
HETATM 1523 O O47 . 7AZ F 3 .  ? 22.51458  -37.26397 16.86588  1.000 25.20957  ? 104 7AZ A O47 1 
HETATM 1524 P P53 . 7AZ F 3 .  ? 18.93776  -41.52383 14.78849  1.000 32.44470  ? 104 7AZ A P53 1 
HETATM 1525 O O65 . 7AZ F 3 .  ? 18.49513  -41.13397 13.40093  1.000 47.17262  ? 104 7AZ A O65 1 
HETATM 1526 O O64 . 7AZ F 3 .  ? 17.74757  -41.60303 15.71054  1.000 47.02440  ? 104 7AZ A O64 1 
HETATM 1527 O O54 . 7AZ F 3 .  ? 19.69983  -42.82347 14.80175  1.000 43.72274  ? 104 7AZ A O54 1 
HETATM 1528 O O46 . 7AZ F 3 .  ? 22.75764  -37.92046 19.37419  1.000 24.96546  ? 104 7AZ A O46 1 
HETATM 1529 P P55 . 7AZ F 3 .  ? 23.45867  -43.47797 21.36983  1.000 33.15197  ? 104 7AZ A P55 1 
HETATM 1530 O O69 . 7AZ F 3 .  ? 22.17125  -43.91909 22.01635  1.000 105.21116 ? 104 7AZ A O69 1 
HETATM 1531 O O68 . 7AZ F 3 .  ? 24.58423  -43.46192 22.37341  1.000 68.53884  ? 104 7AZ A O68 1 
HETATM 1532 O O56 . 7AZ F 3 .  ? 23.80177  -44.35956 20.19636  1.000 49.92612  ? 104 7AZ A O56 1 
HETATM 1533 P P57 . 7AZ F 3 .  ? 26.68716  -38.30477 25.47580  1.000 38.00037  ? 104 7AZ A P57 1 
HETATM 1534 O O67 . 7AZ F 3 .  ? 25.73775  -38.43794 26.63968  1.000 44.30341  ? 104 7AZ A O67 1 
HETATM 1535 O O66 . 7AZ F 3 .  ? 27.21306  -39.65058 25.04898  1.000 47.39150  ? 104 7AZ A O66 1 
HETATM 1536 O O58 . 7AZ F 3 .  ? 27.81887  -37.36617 25.81822  1.000 56.89874  ? 104 7AZ A O58 1 
HETATM 1537 P P59 . 7AZ F 3 .  ? 25.00610  -30.54191 24.66391  1.000 31.67216  ? 104 7AZ A P59 1 
HETATM 1538 O O71 . 7AZ F 3 .  ? 23.65155  -30.44171 25.31829  1.000 46.26640  ? 104 7AZ A O71 1 
HETATM 1539 O O70 . 7AZ F 3 .  ? 25.96921  -31.26634 25.56188  1.000 38.06812  ? 104 7AZ A O70 1 
HETATM 1540 O O60 . 7AZ F 3 .  ? 25.53656  -29.17720 24.30391  1.000 33.99216  ? 104 7AZ A O60 1 
HETATM 1541 O O37 . 7AZ F 3 .  ? 24.43125  -33.61781 19.61322  1.000 24.89519  ? 104 7AZ A O37 1 
HETATM 1542 O O36 . 7AZ F 3 .  ? 21.76780  -33.74853 19.56050  1.000 21.16839  ? 104 7AZ A O36 1 
HETATM 1543 C C1  . GOL G 4 .  ? 22.77831  -12.08060 1.03679   1.000 27.77439  ? 105 GOL A C1  1 
HETATM 1544 O O1  . GOL G 4 .  ? 22.86616  -13.46533 0.82279   1.000 30.84715  ? 105 GOL A O1  1 
HETATM 1545 C C2  . GOL G 4 .  ? 21.52661  -11.80843 1.84829   1.000 29.41745  ? 105 GOL A C2  1 
HETATM 1546 O O2  . GOL G 4 .  ? 21.81217  -10.82474 2.81718   1.000 53.50446  ? 105 GOL A O2  1 
HETATM 1547 C C3  . GOL G 4 .  ? 20.41579  -11.36548 0.91100   1.000 30.90488  ? 105 GOL A C3  1 
HETATM 1548 O O3  . GOL G 4 .  ? 19.19068  -11.73975 1.50689   1.000 47.67241  ? 105 GOL A O3  1 
HETATM 1549 C C1  . BDF H 2 .  ? 18.63586  -0.27719  14.12945  1.000 18.23055  ? 201 BDF B C1  1 
HETATM 1550 C C2  . BDF H 2 .  ? 18.13011  1.15236   14.23795  1.000 18.08238  ? 201 BDF B C2  1 
HETATM 1551 C C3  . BDF H 2 .  ? 17.99341  1.58211   15.70423  1.000 15.92635  ? 201 BDF B C3  1 
HETATM 1552 C C4  . BDF H 2 .  ? 17.30154  2.93615   15.79627  1.000 15.40647  ? 201 BDF B C4  1 
HETATM 1553 C C5  . BDF H 2 .  ? 15.96223  2.88487   15.07403  1.000 14.76495  ? 201 BDF B C5  1 
HETATM 1554 C C6  . BDF H 2 .  ? 16.18948  2.43424   13.64519  1.000 17.15217  ? 201 BDF B C6  1 
HETATM 1555 O O1  . BDF H 2 .  ? 18.75269  -0.68018  12.77160  1.000 31.18906  ? 201 BDF B O1  1 
HETATM 1556 O O2  . BDF H 2 .  ? 18.98643  2.06150   13.59780  1.000 21.21987  ? 201 BDF B O2  1 
HETATM 1557 O O3  . BDF H 2 .  ? 19.27685  1.66003   16.30993  1.000 17.48393  ? 201 BDF B O3  1 
HETATM 1558 O O4  . BDF H 2 .  ? 17.16097  3.30820   17.16367  1.000 15.19513  ? 201 BDF B O4  1 
HETATM 1559 O O5  . BDF H 2 .  ? 15.07772  1.94441   15.68554  1.000 14.98602  ? 201 BDF B O5  1 
HETATM 1560 O O6  . BDF H 2 .  ? 16.85028  1.15946   13.61167  1.000 17.89209  ? 201 BDF B O6  1 
HETATM 1561 C C39 . 7AZ I 3 .  ? -3.07698  -25.01403 10.92723  1.000 19.73119  ? 202 7AZ B C39 1 
HETATM 1562 C C40 . 7AZ I 3 .  ? -4.45224  -25.58542 10.64351  1.000 18.69999  ? 202 7AZ B C40 1 
HETATM 1563 C C26 . 7AZ I 3 .  ? -7.20475  -21.14769 2.13512   1.000 26.13446  ? 202 7AZ B C26 1 
HETATM 1564 C C27 . 7AZ I 3 .  ? -6.18757  -22.71667 3.67186   1.000 22.48242  ? 202 7AZ B C27 1 
HETATM 1565 C C28 . 7AZ I 3 .  ? -5.99408  -24.14677 4.14220   1.000 23.46221  ? 202 7AZ B C28 1 
HETATM 1566 C C29 . 7AZ I 3 .  ? -7.06419  -24.57392 5.13302   1.000 22.42017  ? 202 7AZ B C29 1 
HETATM 1567 C C30 . 7AZ I 3 .  ? -9.03661  -25.35110 6.94784   1.000 24.06757  ? 202 7AZ B C30 1 
HETATM 1568 C C31 . 7AZ I 3 .  ? -6.89566  -24.36950 6.50617   1.000 20.11789  ? 202 7AZ B C31 1 
HETATM 1569 C C32 . 7AZ I 3 .  ? -8.23931  -25.16805 4.69129   1.000 22.98615  ? 202 7AZ B C32 1 
HETATM 1570 C C33 . 7AZ I 3 .  ? -9.22756  -25.56913 5.58737   1.000 25.74273  ? 202 7AZ B C33 1 
HETATM 1571 C C34 . 7AZ I 3 .  ? -7.87373  -24.76390 7.42365   1.000 22.36769  ? 202 7AZ B C34 1 
HETATM 1572 C C35 . 7AZ I 3 .  ? -7.69754  -24.52914 8.91050   1.000 23.69987  ? 202 7AZ B C35 1 
HETATM 1573 O O38 . 7AZ I 3 .  ? -3.34570  -19.87600 6.76749   1.000 21.09963  ? 202 7AZ B O38 1 
HETATM 1574 C C1  . 7AZ I 3 .  ? 0.16091   -26.61840 9.77173   1.000 20.52719  ? 202 7AZ B C1  1 
HETATM 1575 C C2  . 7AZ I 3 .  ? -1.80019  -24.95092 8.72958   1.000 18.40419  ? 202 7AZ B C2  1 
HETATM 1576 C C3  . 7AZ I 3 .  ? 0.26093   -26.15066 8.46393   1.000 18.92698  ? 202 7AZ B C3  1 
HETATM 1577 C C4  . 7AZ I 3 .  ? -0.92481  -26.23976 10.54617  1.000 19.20385  ? 202 7AZ B C4  1 
HETATM 1578 C C5  . 7AZ I 3 .  ? -1.91881  -25.42017 10.04022  1.000 17.91110  ? 202 7AZ B C5  1 
HETATM 1579 C C6  . 7AZ I 3 .  ? -0.71408  -25.31817 7.92863   1.000 17.74217  ? 202 7AZ B C6  1 
HETATM 1580 C C7  . 7AZ I 3 .  ? -0.59683  -24.80758 6.50411   1.000 16.98763  ? 202 7AZ B C7  1 
HETATM 1581 C C8  . 7AZ I 3 .  ? 0.16509   -23.49583 6.44418   1.000 17.32614  ? 202 7AZ B C8  1 
HETATM 1582 C C9  . 7AZ I 3 .  ? 1.58804   -21.09667 6.35260   1.000 19.12580  ? 202 7AZ B C9  1 
HETATM 1583 C C10 . 7AZ I 3 .  ? 1.54165   -23.49698 6.26676   1.000 19.04524  ? 202 7AZ B C10 1 
HETATM 1584 C C11 . 7AZ I 3 .  ? -0.48845  -22.26497 6.58370   1.000 18.02095  ? 202 7AZ B C11 1 
HETATM 1585 C C12 . 7AZ I 3 .  ? 0.21403   -21.05782 6.53094   1.000 18.76872  ? 202 7AZ B C12 1 
HETATM 1586 C C13 . 7AZ I 3 .  ? 2.26112   -22.30725 6.22242   1.000 19.83339  ? 202 7AZ B C13 1 
HETATM 1587 C C14 . 7AZ I 3 .  ? -0.49438  -19.72440 6.69510   1.000 21.62680  ? 202 7AZ B C14 1 
HETATM 1588 C C15 . 7AZ I 3 .  ? -1.38039  -19.32183 5.53092   1.000 20.83935  ? 202 7AZ B C15 1 
HETATM 1589 C C16 . 7AZ I 3 .  ? -2.98811  -18.54823 3.39214   1.000 23.38845  ? 202 7AZ B C16 1 
HETATM 1590 C C17 . 7AZ I 3 .  ? -0.81139  -18.81950 4.37143   1.000 22.86566  ? 202 7AZ B C17 1 
HETATM 1591 C C18 . 7AZ I 3 .  ? -2.77548  -19.41222 5.61480   1.000 20.73856  ? 202 7AZ B C18 1 
HETATM 1592 C C19 . 7AZ I 3 .  ? -3.59095  -19.04637 4.53800   1.000 21.65389  ? 202 7AZ B C19 1 
HETATM 1593 C C20 . 7AZ I 3 .  ? -1.60300  -18.43744 3.29483   1.000 25.88043  ? 202 7AZ B C20 1 
HETATM 1594 C C21 . 7AZ I 3 .  ? -5.10409  -19.15214 4.61999   1.000 22.13106  ? 202 7AZ B C21 1 
HETATM 1595 C C22 . 7AZ I 3 .  ? -5.76194  -20.32200 3.90206   1.000 23.29993  ? 202 7AZ B C22 1 
HETATM 1596 C C23 . 7AZ I 3 .  ? -7.00052  -22.44958 2.58013   1.000 24.30029  ? 202 7AZ B C23 1 
HETATM 1597 C C24 . 7AZ I 3 .  ? -5.57553  -21.64286 4.33017   1.000 23.49781  ? 202 7AZ B C24 1 
HETATM 1598 C C25 . 7AZ I 3 .  ? -6.58514  -20.09411 2.80496   1.000 25.10196  ? 202 7AZ B C25 1 
HETATM 1599 O O72 . 7AZ I 3 .  ? -5.85283  -29.17302 12.86531  1.000 33.04486  ? 202 7AZ B O72 1 
HETATM 1600 P P51 . 7AZ I 3 .  ? -6.52681  -28.98237 11.53351  1.000 28.00557  ? 202 7AZ B P51 1 
HETATM 1601 O O52 . 7AZ I 3 .  ? -6.04651  -30.01020 10.54493  1.000 33.52996  ? 202 7AZ B O52 1 
HETATM 1602 O O63 . 7AZ I 3 .  ? -8.02322  -29.04313 11.68070  1.000 34.06041  ? 202 7AZ B O63 1 
HETATM 1603 C C44 . 7AZ I 3 .  ? -6.08501  -27.34976 10.90375  1.000 23.01645  ? 202 7AZ B C44 1 
HETATM 1604 C C43 . 7AZ I 3 .  ? -4.81435  -26.83115 11.13406  1.000 20.38565  ? 202 7AZ B C43 1 
HETATM 1605 P P49 . 7AZ I 3 .  ? 1.42678   -27.67215 10.48859  1.000 23.03978  ? 202 7AZ B P49 1 
HETATM 1606 O O62 . 7AZ I 3 .  ? 2.48549   -26.76416 11.06964  1.000 28.48942  ? 202 7AZ B O62 1 
HETATM 1607 O O61 . 7AZ I 3 .  ? 1.99656   -28.55796 9.42868   1.000 29.54027  ? 202 7AZ B O61 1 
HETATM 1608 O O50 . 7AZ I 3 .  ? 0.81324   -28.49736 11.58592  1.000 29.22141  ? 202 7AZ B O50 1 
HETATM 1609 C C41 . 7AZ I 3 .  ? -7.00415  -26.60292 10.17118  1.000 22.33991  ? 202 7AZ B C41 1 
HETATM 1610 C C45 . 7AZ I 3 .  ? -6.67459  -25.35163 9.67132   1.000 21.88566  ? 202 7AZ B C45 1 
HETATM 1611 C C42 . 7AZ I 3 .  ? -5.39335  -24.85163 9.91675   1.000 21.68164  ? 202 7AZ B C42 1 
HETATM 1612 O O48 . 7AZ I 3 .  ? -5.04585  -23.62562 9.43393   1.000 22.44331  ? 202 7AZ B O48 1 
HETATM 1613 O O47 . 7AZ I 3 .  ? -5.75307  -23.78163 6.96514   1.000 20.18719  ? 202 7AZ B O47 1 
HETATM 1614 P P53 . 7AZ I 3 .  ? -10.75484 -26.34452 4.99359   1.000 31.37786  ? 202 7AZ B P53 1 
HETATM 1615 O O65 . 7AZ I 3 .  ? -10.64834 -26.52850 3.50740   1.000 38.36611  ? 202 7AZ B O65 1 
HETATM 1616 O O64 . 7AZ I 3 .  ? -10.91078 -27.67722 5.67550   1.000 37.16158  ? 202 7AZ B O64 1 
HETATM 1617 O O54 . 7AZ I 3 .  ? -11.90892 -25.43617 5.34336   1.000 37.17743  ? 202 7AZ B O54 1 
HETATM 1618 O O46 . 7AZ I 3 .  ? -4.77370  -21.89893 5.40329   1.000 21.70069  ? 202 7AZ B O46 1 
HETATM 1619 P P55 . 7AZ I 3 .  ? -8.27681  -20.84289 0.70995   1.000 30.78459  ? 202 7AZ B P55 1 
HETATM 1620 O O69 . 7AZ I 3 .  ? -9.69962  -21.11899 1.12269   1.000 36.36572  ? 202 7AZ B O69 1 
HETATM 1621 O O68 . 7AZ I 3 .  ? -7.88017  -21.78021 -0.40058  1.000 37.45475  ? 202 7AZ B O68 1 
HETATM 1622 O O56 . 7AZ I 3 .  ? -8.12519  -19.40659 0.28285   1.000 34.10635  ? 202 7AZ B O56 1 
HETATM 1623 P P57 . 7AZ I 3 .  ? -0.83712  -17.81507 1.78397   1.000 31.64685  ? 202 7AZ B P57 1 
HETATM 1624 O O67 . 7AZ I 3 .  ? 0.33619   -16.94952 2.15630   1.000 37.18271  ? 202 7AZ B O67 1 
HETATM 1625 O O66 . 7AZ I 3 .  ? -0.38240  -18.99910 0.96315   1.000 34.96789  ? 202 7AZ B O66 1 
HETATM 1626 O O58 . 7AZ I 3 .  ? -1.87564  -17.02726 1.03143   1.000 38.50143  ? 202 7AZ B O58 1 
HETATM 1627 P P59 . 7AZ I 3 .  ? 4.04823   -22.33133 6.00034   1.000 22.80524  ? 202 7AZ B P59 1 
HETATM 1628 O O71 . 7AZ I 3 .  ? 4.40462   -21.20944 5.07003   1.000 24.18201  ? 202 7AZ B O71 1 
HETATM 1629 O O70 . 7AZ I 3 .  ? 4.67515   -22.12286 7.36194   1.000 25.70516  ? 202 7AZ B O70 1 
HETATM 1630 O O60 . 7AZ I 3 .  ? 4.43290   -23.65565 5.39588   1.000 25.41176  ? 202 7AZ B O60 1 
HETATM 1631 O O37 . 7AZ I 3 .  ? -1.83705  -22.20615 6.77747   1.000 20.08822  ? 202 7AZ B O37 1 
HETATM 1632 O O36 . 7AZ I 3 .  ? -2.76584  -24.12924 8.21495   1.000 18.72695  ? 202 7AZ B O36 1 
HETATM 1633 C C39 . 7AZ J 3 .  ? 16.44974  -14.85329 28.61664  1.000 21.31960  ? 203 7AZ B C39 1 
HETATM 1634 C C40 . 7AZ J 3 .  ? 15.75771  -14.47507 29.91538  1.000 21.06805  ? 203 7AZ B C40 1 
HETATM 1635 C C26 . 7AZ J 3 .  ? 19.67297  -5.76045  32.72982  1.000 22.92954  ? 203 7AZ B C26 1 
HETATM 1636 C C27 . 7AZ J 3 .  ? 19.28771  -8.13632  32.46457  1.000 18.08583  ? 203 7AZ B C27 1 
HETATM 1637 C C28 . 7AZ J 3 .  ? 19.11631  -9.51785  33.07191  1.000 19.72979  ? 203 7AZ B C28 1 
HETATM 1638 C C29 . 7AZ J 3 .  ? 17.67092  -9.82597  33.42545  1.000 17.76621  ? 203 7AZ B C29 1 
HETATM 1639 C C30 . 7AZ J 3 .  ? 15.01389  -10.36839 34.08330  1.000 19.90622  ? 203 7AZ B C30 1 
HETATM 1640 C C31 . 7AZ J 3 .  ? 16.81161  -10.42860 32.50115  1.000 21.36163  ? 203 7AZ B C31 1 
HETATM 1641 C C32 . 7AZ J 3 .  ? 17.16875  -9.49242  34.67499  1.000 20.97738  ? 203 7AZ B C32 1 
HETATM 1642 C C33 . 7AZ J 3 .  ? 15.84578  -9.75732  35.01933  1.000 21.42551  ? 203 7AZ B C33 1 
HETATM 1643 C C34 . 7AZ J 3 .  ? 15.48079  -10.71233 32.82099  1.000 18.46301  ? 203 7AZ B C34 1 
HETATM 1644 C C35 . 7AZ J 3 .  ? 14.55222  -11.35277 31.80428  1.000 18.88868  ? 203 7AZ B C35 1 
HETATM 1645 O O38 . 7AZ J 3 .  ? 19.14305  -8.88668  27.64286  1.000 20.66273  ? 203 7AZ B O38 1 
HETATM 1646 C C1  . 7AZ J 3 .  ? 19.73252  -16.78997 28.42992  1.000 25.22998  ? 203 7AZ B C1  1 
HETATM 1647 C C2  . 7AZ J 3 .  ? 18.88437  -14.20621 28.98772  1.000 21.93970  ? 203 7AZ B C2  1 
HETATM 1648 C C3  . 7AZ J 3 .  ? 20.65531  -15.80526 28.75280  1.000 23.06220  ? 203 7AZ B C3  1 
HETATM 1649 C C4  . 7AZ J 3 .  ? 18.37660  -16.46786 28.38961  1.000 26.92782  ? 203 7AZ B C4  1 
HETATM 1650 C C5  . 7AZ J 3 .  ? 17.93248  -15.18460 28.68234  1.000 22.95979  ? 203 7AZ B C5  1 
HETATM 1651 C C6  . 7AZ J 3 .  ? 20.24895  -14.51477 29.04779  1.000 25.15416  ? 203 7AZ B C6  1 
HETATM 1652 C C7  . 7AZ J 3 .  ? 21.28989  -13.47004 29.39983  1.000 21.86179  ? 203 7AZ B C7  1 
HETATM 1653 C C8  . 7AZ J 3 .  ? 21.86993  -12.82112 28.15964  1.000 23.49194  ? 203 7AZ B C8  1 
HETATM 1654 C C9  . 7AZ J 3 .  ? 22.91741  -11.61308 25.87892  1.000 24.26149  ? 203 7AZ B C9  1 
HETATM 1655 C C10 . 7AZ J 3 .  ? 23.01964  -13.32300 27.56144  1.000 22.67076  ? 203 7AZ B C10 1 
HETATM 1656 C C11 . 7AZ J 3 .  ? 21.25188  -11.70195 27.59807  1.000 18.50753  ? 203 7AZ B C11 1 
HETATM 1657 C C12 . 7AZ J 3 .  ? 21.77354  -11.09141 26.45692  1.000 23.01422  ? 203 7AZ B C12 1 
HETATM 1658 C C13 . 7AZ J 3 .  ? 23.54709  -12.72611 26.41750  1.000 25.29389  ? 203 7AZ B C13 1 
HETATM 1659 C C14 . 7AZ J 3 .  ? 21.10527  -9.88688  25.83470  1.000 23.43669  ? 203 7AZ B C14 1 
HETATM 1660 C C15 . 7AZ J 3 .  ? 21.26385  -8.58310  26.58686  1.000 20.47408  ? 203 7AZ B C15 1 
HETATM 1661 C C16 . 7AZ J 3 .  ? 21.52409  -6.15417  27.92978  1.000 23.71765  ? 203 7AZ B C16 1 
HETATM 1662 C C17 . 7AZ J 3 .  ? 22.39415  -7.80024  26.40908  1.000 20.18201  ? 203 7AZ B C17 1 
HETATM 1663 C C18 . 7AZ J 3 .  ? 20.26076  -8.12931  27.44444  1.000 18.56590  ? 203 7AZ B C18 1 
HETATM 1664 C C19 . 7AZ J 3 .  ? 20.38407  -6.92136  28.12891  1.000 22.31441  ? 203 7AZ B C19 1 
HETATM 1665 C C20 . 7AZ J 3 .  ? 22.53454  -6.58653  27.07363  1.000 23.44961  ? 203 7AZ B C20 1 
HETATM 1666 C C21 . 7AZ J 3 .  ? 19.26294  -6.44186  29.02594  1.000 20.66063  ? 203 7AZ B C21 1 
HETATM 1667 C C22 . 7AZ J 3 .  ? 19.36458  -6.67187  30.51816  1.000 19.90063  ? 203 7AZ B C22 1 
HETATM 1668 C C23 . 7AZ J 3 .  ? 19.51834  -7.03296  33.27539  1.000 22.29182  ? 203 7AZ B C23 1 
HETATM 1669 C C24 . 7AZ J 3 .  ? 19.20932  -7.94339  31.08128  1.000 18.87989  ? 203 7AZ B C24 1 
HETATM 1670 C C25 . 7AZ J 3 .  ? 19.58697  -5.59250  31.35498  1.000 23.40285  ? 203 7AZ B C25 1 
HETATM 1671 O O72 . 7AZ J 3 .  ? 13.84202  -15.79410 34.44109  1.000 35.19161  ? 203 7AZ B O72 1 
HETATM 1672 P P51 . 7AZ J 3 .  ? 14.20429  -16.43765 33.13141  1.000 24.13360  ? 203 7AZ B P51 1 
HETATM 1673 O O52 . 7AZ J 3 .  ? 12.99014  -17.11882 32.56434  1.000 25.88237  ? 203 7AZ B O52 1 
HETATM 1674 O O63 . 7AZ J 3 .  ? 15.34009  -17.41164 33.29535  1.000 38.71015  ? 203 7AZ B O63 1 
HETATM 1675 C C44 . 7AZ J 3 .  ? 14.71963  -15.14446 31.99340  1.000 19.05944  ? 203 7AZ B C44 1 
HETATM 1676 C C43 . 7AZ J 3 .  ? 15.36030  -15.46580 30.80267  1.000 18.59219  ? 203 7AZ B C43 1 
HETATM 1677 P P49 . 7AZ J 3 .  ? 20.30305  -18.45994 28.05133  1.000 28.16727  ? 203 7AZ B P49 1 
HETATM 1678 O O62 . 7AZ J 3 .  ? 21.60929  -18.69111 28.77328  1.000 38.31963  ? 203 7AZ B O62 1 
HETATM 1679 O O61 . 7AZ J 3 .  ? 19.24805  -19.41332 28.52021  1.000 26.87786  ? 203 7AZ B O61 1 
HETATM 1680 O O50 . 7AZ J 3 .  ? 20.49619  -18.56503 26.55950  1.000 41.75379  ? 203 7AZ B O50 1 
HETATM 1681 C C41 . 7AZ J 3 .  ? 14.47387  -13.81283 32.30231  1.000 20.03514  ? 203 7AZ B C41 1 
HETATM 1682 C C45 . 7AZ J 3 .  ? 14.84959  -12.79612 31.43902  1.000 18.02821  ? 203 7AZ B C45 1 
HETATM 1683 C C42 . 7AZ J 3 .  ? 15.49225  -13.13842 30.24349  1.000 18.39593  ? 203 7AZ B C42 1 
HETATM 1684 O O48 . 7AZ J 3 .  ? 15.84877  -12.14579 29.37192  1.000 21.39245  ? 203 7AZ B O48 1 
HETATM 1685 O O47 . 7AZ J 3 .  ? 17.27945  -10.75996 31.26518  1.000 18.33013  ? 203 7AZ B O47 1 
HETATM 1686 P P53 . 7AZ J 3 .  ? 15.22833  -9.31940  36.66984  1.000 25.14229  ? 203 7AZ B P53 1 
HETATM 1687 O O65 . 7AZ J 3 .  ? 13.75956  -9.65677  36.72634  1.000 37.94636  ? 203 7AZ B O65 1 
HETATM 1688 O O64 . 7AZ J 3 .  ? 15.43352  -7.84219  36.87814  1.000 46.15603  ? 203 7AZ B O64 1 
HETATM 1689 O O54 . 7AZ J 3 .  ? 16.01425  -10.10827 37.68381  1.000 49.42194  ? 203 7AZ B O54 1 
HETATM 1690 O O46 . 7AZ J 3 .  ? 18.98417  -9.01625  30.27017  1.000 19.31939  ? 203 7AZ B O46 1 
HETATM 1691 P P55 . 7AZ J 3 .  ? 19.97482  -4.32840  33.77964  1.000 23.79498  ? 203 7AZ B P55 1 
HETATM 1692 O O69 . 7AZ J 3 .  ? 20.70899  -3.29450  32.96331  1.000 48.02942  ? 203 7AZ B O69 1 
HETATM 1693 O O68 . 7AZ J 3 .  ? 20.81126  -4.76748  34.95348  1.000 74.48677  ? 203 7AZ B O68 1 
HETATM 1694 O O56 . 7AZ J 3 .  ? 18.63835  -3.79746  34.22657  1.000 45.37828  ? 203 7AZ B O56 1 
HETATM 1695 P P57 . 7AZ J 3 .  ? 24.03119  -5.59588  26.83485  1.000 29.41935  ? 203 7AZ B P57 1 
HETATM 1696 O O67 . 7AZ J 3 .  ? 25.11406  -6.19042  27.70886  1.000 36.87364  ? 203 7AZ B O67 1 
HETATM 1697 O O66 . 7AZ J 3 .  ? 24.42694  -5.68500  25.38193  1.000 35.41822  ? 203 7AZ B O66 1 
HETATM 1698 O O58 . 7AZ J 3 .  ? 23.74041  -4.18096  27.24995  1.000 30.11717  ? 203 7AZ B O58 1 
HETATM 1699 P P59 . 7AZ J 3 .  ? 25.03796  -13.36213 25.62676  1.000 32.37386  ? 203 7AZ B P59 1 
HETATM 1700 O O71 . 7AZ J 3 .  ? 25.82024  -12.18353 25.10810  1.000 36.76400  ? 203 7AZ B O71 1 
HETATM 1701 O O70 . 7AZ J 3 .  ? 25.83446  -14.10900 26.66551  1.000 61.41610  ? 203 7AZ B O70 1 
HETATM 1702 O O60 . 7AZ J 3 .  ? 24.61008  -14.25926 24.49563  1.000 32.91995  ? 203 7AZ B O60 1 
HETATM 1703 O O37 . 7AZ J 3 .  ? 20.12301  -11.20847 28.18681  1.000 21.84014  ? 203 7AZ B O37 1 
HETATM 1704 O O36 . 7AZ J 3 .  ? 18.45862  -12.94012 29.26592  1.000 21.38447  ? 203 7AZ B O36 1 
HETATM 1705 C C1  . BDF K 2 .  ? 9.50668   -16.25733 14.34465  1.000 18.94509  ? 204 BDF B C1  1 
HETATM 1706 C C2  . BDF K 2 .  ? 10.37502  -15.03431 14.58900  1.000 17.38101  ? 204 BDF B C2  1 
HETATM 1707 C C3  . BDF K 2 .  ? 10.50276  -14.72436 16.08668  1.000 15.95442  ? 204 BDF B C3  1 
HETATM 1708 C C4  . BDF K 2 .  ? 11.23653  -13.40309 16.28340  1.000 15.83724  ? 204 BDF B C4  1 
HETATM 1709 C C5  . BDF K 2 .  ? 10.51612  -12.29823 15.52413  1.000 15.05343  ? 204 BDF B C5  1 
HETATM 1710 C C6  . BDF K 2 .  ? 10.40333  -12.69033 14.06374  1.000 16.18115  ? 204 BDF B C6  1 
HETATM 1711 O O1  . BDF K 2 .  ? 9.50919   -16.62981 12.97542  1.000 27.52488  ? 204 BDF B O1  1 
HETATM 1712 O O2  . BDF K 2 .  ? 11.66795  -15.20688 14.07602  1.000 19.54669  ? 204 BDF B O2  1 
HETATM 1713 O O3  . BDF K 2 .  ? 11.19670  -15.77630 16.75535  1.000 18.80845  ? 204 BDF B O3  1 
HETATM 1714 O O4  . BDF K 2 .  ? 11.35753  -13.11168 17.67322  1.000 15.54851  ? 204 BDF B O4  1 
HETATM 1715 O O5  . BDF K 2 .  ? 9.19183   -12.12236 16.03139  1.000 15.04161  ? 204 BDF B O5  1 
HETATM 1716 O O6  . BDF K 2 .  ? 9.73039   -13.95194 13.92149  1.000 16.95171  ? 204 BDF B O6  1 
HETATM 1717 C C1  . GOL L 4 .  ? 18.24177  -12.61646 25.00720  1.000 28.10695  ? 205 GOL B C1  1 
HETATM 1718 O O1  . GOL L 4 .  ? 17.09042  -13.17734 25.59047  1.000 33.91903  ? 205 GOL B O1  1 
HETATM 1719 C C2  . GOL L 4 .  ? 19.02568  -13.74093 24.36293  1.000 29.51628  ? 205 GOL B C2  1 
HETATM 1720 O O2  . GOL L 4 .  ? 19.99083  -13.17553 23.50118  1.000 50.92083  ? 205 GOL B O2  1 
HETATM 1721 C C3  . GOL L 4 .  ? 19.64377  -14.59372 25.46322  1.000 30.24968  ? 205 GOL B C3  1 
HETATM 1722 O O3  . GOL L 4 .  ? 20.20324  -15.74939 24.87659  1.000 41.58114  ? 205 GOL B O3  1 
HETATM 1723 O O   . HOH M 5 .  ? 27.95582  -3.72119  3.08924   1.000 45.15924  ? 201 HOH A O   1 
HETATM 1724 O O   . HOH M 5 .  ? 28.71691  -35.14895 25.41985  1.000 37.82127  ? 202 HOH A O   1 
HETATM 1725 O O   . HOH M 5 .  ? 32.63740  -28.10903 24.32295  1.000 37.16211  ? 203 HOH A O   1 
HETATM 1726 O O   . HOH M 5 .  ? 15.79116  -28.54375 23.27355  1.000 46.38593  ? 204 HOH A O   1 
HETATM 1727 O O   . HOH M 5 .  ? 25.52501  -35.40413 17.58078  1.000 35.73994  ? 205 HOH A O   1 
HETATM 1728 O O   . HOH M 5 .  ? 11.90544  -34.56100 17.37893  1.000 39.07575  ? 206 HOH A O   1 
HETATM 1729 O O   . HOH M 5 .  ? 25.21297  -27.75044 22.18448  1.000 32.51114  ? 207 HOH A O   1 
HETATM 1730 O O   . HOH M 5 .  ? 39.03871  -16.49229 -1.14752  1.000 15.70233  ? 208 HOH A O   1 
HETATM 1731 O O   . HOH M 5 .  ? 27.87000  -26.77729 18.98287  1.000 25.00620  ? 209 HOH A O   1 
HETATM 1732 O O   . HOH M 5 .  ? 17.44887  -32.99264 12.88660  1.000 39.27205  ? 210 HOH A O   1 
HETATM 1733 O O   . HOH M 5 .  ? 23.97006  -22.50501 15.23875  1.000 31.75878  ? 211 HOH A O   1 
HETATM 1734 O O   . HOH M 5 .  ? 31.26642  -22.62607 -13.34618 1.000 43.34619  ? 212 HOH A O   1 
HETATM 1735 O O   . HOH M 5 .  ? 31.17904  -5.91043  9.70108   1.000 37.73422  ? 213 HOH A O   1 
HETATM 1736 O O   . HOH M 5 .  ? 36.14197  -4.98156  15.26690  1.000 41.07140  ? 214 HOH A O   1 
HETATM 1737 O O   . HOH M 5 .  ? 30.92241  -7.21374  13.24093  1.000 43.68774  ? 215 HOH A O   1 
HETATM 1738 O O   . HOH M 5 .  ? 26.61827  -10.80682 13.10964  1.000 18.46621  ? 216 HOH A O   1 
HETATM 1739 O O   . HOH M 5 .  ? 28.80213  -9.01282  11.78355  1.000 31.13308  ? 217 HOH A O   1 
HETATM 1740 O O   . HOH M 5 .  ? 29.64729  -3.80197  6.78611   1.000 37.70774  ? 218 HOH A O   1 
HETATM 1741 O O   . HOH M 5 .  ? 26.46828  -25.73405 0.10519   1.000 22.67302  ? 219 HOH A O   1 
HETATM 1742 O O   . HOH M 5 .  ? 30.21007  -14.85969 -8.89548  1.000 28.20981  ? 220 HOH A O   1 
HETATM 1743 O O   . HOH M 5 .  ? 21.88533  -21.31723 0.28328   1.000 23.02752  ? 221 HOH A O   1 
HETATM 1744 O O   . HOH M 5 .  ? 43.13818  -11.13343 -0.83809  1.000 21.32850  ? 222 HOH A O   1 
HETATM 1745 O O   . HOH M 5 .  ? 27.26921  -23.08322 -3.64413  1.000 21.72886  ? 223 HOH A O   1 
HETATM 1746 O O   . HOH M 5 .  ? 23.76286  -21.13816 2.36935   1.000 15.95611  ? 224 HOH A O   1 
HETATM 1747 O O   . HOH M 5 .  ? 40.70679  -19.29395 15.85382  1.000 18.97838  ? 225 HOH A O   1 
HETATM 1748 O O   . HOH M 5 .  ? 40.80979  -21.39612 -1.07050  1.000 32.94490  ? 226 HOH A O   1 
HETATM 1749 O O   . HOH M 5 .  ? 22.77637  -29.99610 13.47180  1.000 16.48046  ? 227 HOH A O   1 
HETATM 1750 O O   . HOH M 5 .  ? 21.09192  -14.56288 15.08280  1.000 44.88934  ? 228 HOH A O   1 
HETATM 1751 O O   . HOH M 5 .  ? 34.95330  -6.16603  -1.78044  1.000 31.79893  ? 229 HOH A O   1 
HETATM 1752 O O   . HOH M 5 .  ? 38.23921  -6.04014  -0.14859  1.000 31.17621  ? 230 HOH A O   1 
HETATM 1753 O O   . HOH M 5 .  ? 28.04907  -15.27001 18.05622  1.000 29.43679  ? 231 HOH A O   1 
HETATM 1754 O O   . HOH M 5 .  ? 29.29190  -35.40475 20.12084  1.000 32.30654  ? 232 HOH A O   1 
HETATM 1755 O O   . HOH M 5 .  ? 48.016    1.301     -3.822    1.000 47.98314  ? 233 HOH A O   1 
HETATM 1756 O O   . HOH M 5 .  ? 28.41935  -34.36002 16.39208  1.000 23.33663  ? 234 HOH A O   1 
HETATM 1757 O O   . HOH M 5 .  ? 26.62013  -17.46884 -9.74261  1.000 37.89952  ? 235 HOH A O   1 
HETATM 1758 O O   . HOH M 5 .  ? 38.94361  -22.88791 10.90054  1.000 28.66569  ? 236 HOH A O   1 
HETATM 1759 O O   . HOH M 5 .  ? 44.32963  -1.58880  1.42986   1.000 43.22959  ? 237 HOH A O   1 
HETATM 1760 O O   . HOH M 5 .  ? 35.60615  -20.54662 24.81279  1.000 39.82977  ? 238 HOH A O   1 
HETATM 1761 O O   . HOH M 5 .  ? 28.71063  -26.38205 1.78040   1.000 14.87003  ? 239 HOH A O   1 
HETATM 1762 O O   . HOH M 5 .  ? 20.31378  -19.60985 2.96351   1.000 24.10187  ? 240 HOH A O   1 
HETATM 1763 O O   . HOH M 5 .  ? 25.42679  -28.01569 19.42376  1.000 26.71866  ? 241 HOH A O   1 
HETATM 1764 O O   . HOH M 5 .  ? 36.88637  -22.33849 15.67939  1.000 16.66951  ? 242 HOH A O   1 
HETATM 1765 O O   . HOH M 5 .  ? 35.15906  -10.33474 -3.88886  1.000 18.87098  ? 243 HOH A O   1 
HETATM 1766 O O   . HOH M 5 .  ? 19.21128  -31.87789 9.37877   1.000 36.01640  ? 244 HOH A O   1 
HETATM 1767 O O   . HOH M 5 .  ? 41.10602  -21.38258 11.17251  0.631 23.86564  ? 245 HOH A O   1 
HETATM 1768 O O   . HOH M 5 .  ? 33.93141  -12.71100 -4.41686  1.000 23.00817  ? 246 HOH A O   1 
HETATM 1769 O O   . HOH M 5 .  ? 41.50058  -2.63315  5.33207   1.000 25.53901  ? 247 HOH A O   1 
HETATM 1770 O O   . HOH M 5 .  ? 26.53136  -25.62227 -10.76369 1.000 27.67402  ? 248 HOH A O   1 
HETATM 1771 O O   . HOH M 5 .  ? 31.59902  -12.71716 -8.27810  1.000 40.51510  ? 249 HOH A O   1 
HETATM 1772 O O   . HOH M 5 .  ? 41.09656  -7.93041  -2.86031  1.000 28.49803  ? 250 HOH A O   1 
HETATM 1773 O O   . HOH M 5 .  ? 29.34440  -15.87060 -12.46728 1.000 45.17787  ? 251 HOH A O   1 
HETATM 1774 O O   . HOH M 5 .  ? 31.38237  -12.20888 21.57453  1.000 28.86455  ? 252 HOH A O   1 
HETATM 1775 O O   . HOH M 5 .  ? 31.42927  -11.84490 -1.87046  1.000 15.95751  ? 253 HOH A O   1 
HETATM 1776 O O   . HOH M 5 .  ? 32.86393  -20.81384 -9.17255  1.000 28.60428  ? 254 HOH A O   1 
HETATM 1777 O O   . HOH M 5 .  ? 36.09382  -6.91148  2.77909   1.000 16.93699  ? 255 HOH A O   1 
HETATM 1778 O O   . HOH M 5 .  ? 27.84451  -19.37186 19.48603  1.000 34.83100  ? 256 HOH A O   1 
HETATM 1779 O O   . HOH M 5 .  ? 34.39608  -22.48615 -7.61482  1.000 33.79654  ? 257 HOH A O   1 
HETATM 1780 O O   . HOH M 5 .  ? 20.92803  -17.67864 10.54426  1.000 26.35214  ? 258 HOH A O   1 
HETATM 1781 O O   . HOH M 5 .  ? 21.05883  -19.30124 -10.23972 1.000 41.89873  ? 259 HOH A O   1 
HETATM 1782 O O   . HOH M 5 .  ? 31.45951  -6.42394  -2.39636  1.000 30.69175  ? 260 HOH A O   1 
HETATM 1783 O O   . HOH M 5 .  ? 32.04067  -24.37061 -9.94365  1.000 29.34496  ? 261 HOH A O   1 
HETATM 1784 O O   . HOH M 5 .  ? 25.76153  -17.54403 16.25114  1.000 26.35229  ? 262 HOH A O   1 
HETATM 1785 O O   . HOH M 5 .  ? 39.06425  -24.73386 5.62309   1.000 16.68684  ? 263 HOH A O   1 
HETATM 1786 O O   . HOH M 5 .  ? 25.44562  -13.99041 3.28863   1.000 18.56274  ? 264 HOH A O   1 
HETATM 1787 O O   . HOH M 5 .  ? 39.54833  -23.79883 1.89795   0.813 25.47228  ? 265 HOH A O   1 
HETATM 1788 O O   . HOH M 5 .  ? 25.16285  -10.14545 3.56762   1.000 22.75723  ? 266 HOH A O   1 
HETATM 1789 O O   . HOH M 5 .  ? 31.76969  -9.14177  -2.96154  1.000 23.71651  ? 267 HOH A O   1 
HETATM 1790 O O   . HOH M 5 .  ? 25.47439  -21.98607 -7.88203  1.000 31.83191  ? 268 HOH A O   1 
HETATM 1791 O O   . HOH M 5 .  ? 36.78622  -3.12991  11.23138  1.000 27.18998  ? 269 HOH A O   1 
HETATM 1792 O O   . HOH M 5 .  ? 13.571    -10.740   -4.207    1.000 31.42002  ? 270 HOH A O   1 
HETATM 1793 O O   . HOH M 5 .  ? 32.34826  -15.54423 -10.41548 1.000 38.79814  ? 271 HOH A O   1 
HETATM 1794 O O   . HOH M 5 .  ? 22.18842  -18.66308 15.04034  1.000 33.70263  ? 272 HOH A O   1 
HETATM 1795 O O   . HOH M 5 .  ? 20.02906  -18.33216 -2.02376  1.000 31.37947  ? 273 HOH A O   1 
HETATM 1796 O O   . HOH M 5 .  ? 38.72407  -8.79838  -9.84378  1.000 35.45139  ? 274 HOH A O   1 
HETATM 1797 O O   . HOH M 5 .  ? 38.86968  -21.39178 -6.06374  1.000 25.48239  ? 275 HOH A O   1 
HETATM 1798 O O   . HOH M 5 .  ? 36.25060  -10.99492 18.67227  1.000 23.39085  ? 276 HOH A O   1 
HETATM 1799 O O   . HOH M 5 .  ? 20.067    -45.331   23.525    1.000 44.85567  ? 277 HOH A O   1 
HETATM 1800 O O   . HOH M 5 .  ? 37.84003  -1.32937  4.26693   1.000 34.81224  ? 278 HOH A O   1 
HETATM 1801 O O   . HOH M 5 .  ? 27.36078  -5.21424  5.38497   1.000 33.63359  ? 279 HOH A O   1 
HETATM 1802 O O   . HOH M 5 .  ? 23.15731  -8.94142  7.46971   1.000 45.98712  ? 280 HOH A O   1 
HETATM 1803 O O   . HOH M 5 .  ? 18.33168  -27.18045 5.18484   1.000 29.52389  ? 281 HOH A O   1 
HETATM 1804 O O   . HOH M 5 .  ? 38.49106  -20.19687 19.52563  1.000 19.11859  ? 282 HOH A O   1 
HETATM 1805 O O   . HOH M 5 .  ? 36.62944  -24.70643 19.63777  1.000 18.03144  ? 283 HOH A O   1 
HETATM 1806 O O   . HOH M 5 .  ? 22.75619  -12.77208 7.23278   1.000 23.70406  ? 284 HOH A O   1 
HETATM 1807 O O   . HOH M 5 .  ? 40.63444  -5.48536  -1.50002  1.000 31.11453  ? 285 HOH A O   1 
HETATM 1808 O O   . HOH M 5 .  ? 30.84928  -13.23855 23.90560  1.000 35.35307  ? 286 HOH A O   1 
HETATM 1809 O O   . HOH M 5 .  ? 22.36294  -35.04266 8.17643   1.000 27.99039  ? 287 HOH A O   1 
HETATM 1810 O O   . HOH M 5 .  ? 23.00086  -13.61624 4.61347   1.000 28.16985  ? 288 HOH A O   1 
HETATM 1811 O O   . HOH M 5 .  ? 30.23732  -27.49701 19.79175  1.000 32.13399  ? 289 HOH A O   1 
HETATM 1812 O O   . HOH M 5 .  ? 30.59358  -26.34221 -10.53190 1.000 41.94660  ? 290 HOH A O   1 
HETATM 1813 O O   . HOH M 5 .  ? 39.26006  -21.52185 12.55752  0.919 37.78597  ? 291 HOH A O   1 
HETATM 1814 O O   . HOH M 5 .  ? 38.23914  -24.88898 12.74089  1.000 29.58498  ? 292 HOH A O   1 
HETATM 1815 O O   . HOH M 5 .  ? 39.80666  -23.32705 8.74529   1.000 46.07684  ? 293 HOH A O   1 
HETATM 1816 O O   . HOH M 5 .  ? 22.12803  -22.39549 -4.13260  1.000 33.39253  ? 294 HOH A O   1 
HETATM 1817 O O   . HOH M 5 .  ? 19.28336  -36.01940 11.73638  1.000 37.36431  ? 295 HOH A O   1 
HETATM 1818 O O   . HOH M 5 .  ? 37.08181  -17.74736 24.78451  1.000 44.54943  ? 296 HOH A O   1 
HETATM 1819 O O   . HOH M 5 .  ? 27.38772  -21.85534 18.37195  1.000 40.97888  ? 297 HOH A O   1 
HETATM 1820 O O   . HOH M 5 .  ? 39.69050  -22.25873 4.66230   1.000 16.61264  ? 298 HOH A O   1 
HETATM 1821 O O   . HOH M 5 .  ? 20.52767  -11.75526 19.53470  1.000 36.09491  ? 299 HOH A O   1 
HETATM 1822 O O   . HOH M 5 .  ? 37.32880  -27.23607 18.62702  1.000 22.07869  ? 300 HOH A O   1 
HETATM 1823 O O   . HOH M 5 .  ? 31.85924  -1.61118  -0.02764  1.000 42.83830  ? 301 HOH A O   1 
HETATM 1824 O O   . HOH M 5 .  ? 40.71075  -22.20190 1.86460   0.958 27.47569  ? 302 HOH A O   1 
HETATM 1825 O O   . HOH M 5 .  ? 29.79404  -38.13932 23.32786  1.000 36.74184  ? 303 HOH A O   1 
HETATM 1826 O O   . HOH M 5 .  ? 41.57384  -24.00308 -1.47057  0.244 16.17188  ? 304 HOH A O   1 
HETATM 1827 O O   . HOH M 5 .  ? 25.11703  -28.39419 -8.31551  1.000 42.34035  ? 305 HOH A O   1 
HETATM 1828 O O   . HOH M 5 .  ? 44.752    -9.989    -4.565    1.000 45.19000  ? 306 HOH A O   1 
HETATM 1829 O O   . HOH M 5 .  ? 39.46931  -22.62933 14.79944  1.000 29.63636  ? 307 HOH A O   1 
HETATM 1830 O O   . HOH M 5 .  ? 25.12389  -7.55802  4.01708   1.000 38.91602  ? 308 HOH A O   1 
HETATM 1831 O O   . HOH M 5 .  ? 19.14840  -16.96932 0.00322   1.000 42.83726  ? 309 HOH A O   1 
HETATM 1832 O O   . HOH M 5 .  ? 26.78696  -26.13703 -3.74802  1.000 38.57356  ? 310 HOH A O   1 
HETATM 1833 O O   . HOH M 5 .  ? 21.03411  -28.02457 14.47498  1.000 30.28912  ? 311 HOH A O   1 
HETATM 1834 O O   . HOH M 5 .  ? 40.482    -0.381    -4.616    1.000 42.81021  ? 312 HOH A O   1 
HETATM 1835 O O   . HOH M 5 .  ? 34.93829  -9.10710  -8.83529  1.000 40.81125  ? 313 HOH A O   1 
HETATM 1836 O O   . HOH M 5 .  ? 32.17764  -8.70616  17.32976  1.000 40.90695  ? 314 HOH A O   1 
HETATM 1837 O O   . HOH M 5 .  ? 31.86332  -10.13487 -6.01011  1.000 37.19852  ? 315 HOH A O   1 
HETATM 1838 O O   . HOH M 5 .  ? 24.13075  -38.02020 13.64687  1.000 45.85905  ? 316 HOH A O   1 
HETATM 1839 O O   . HOH M 5 .  ? 25.75956  -20.65476 16.01390  1.000 43.86318  ? 317 HOH A O   1 
HETATM 1840 O O   . HOH M 5 .  ? 23.06077  -26.83510 19.12103  1.000 36.51896  ? 318 HOH A O   1 
HETATM 1841 O O   . HOH M 5 .  ? 41.57397  -24.00301 -4.31005  0.374 27.28281  ? 319 HOH A O   1 
HETATM 1842 O O   . HOH M 5 .  ? 52.414    -7.298    -1.552    1.000 41.94589  ? 320 HOH A O   1 
HETATM 1843 O O   . HOH M 5 .  ? 34.38365  -8.72175  -6.06437  1.000 32.78183  ? 321 HOH A O   1 
HETATM 1844 O O   . HOH M 5 .  ? 29.50413  -33.95806 22.96618  1.000 34.49211  ? 322 HOH A O   1 
HETATM 1845 O O   . HOH M 5 .  ? 32.48427  -10.03141 21.84497  1.000 39.88970  ? 323 HOH A O   1 
HETATM 1846 O O   . HOH M 5 .  ? 31.19460  -23.79386 21.60427  1.000 35.01128  ? 324 HOH A O   1 
HETATM 1847 O O   . HOH M 5 .  ? 25.15566  -22.85207 -5.31571  1.000 32.61089  ? 325 HOH A O   1 
HETATM 1848 O O   . HOH M 5 .  ? 35.17988  -20.98034 27.61726  1.000 38.17336  ? 326 HOH A O   1 
HETATM 1849 O O   . HOH M 5 .  ? 37.47092  -22.43021 18.32108  1.000 22.61478  ? 327 HOH A O   1 
HETATM 1850 O O   . HOH M 5 .  ? 21.98458  -37.40573 12.30318  1.000 36.83379  ? 328 HOH A O   1 
HETATM 1851 O O   . HOH M 5 .  ? 30.35508  -8.82308  18.76868  1.000 43.55107  ? 329 HOH A O   1 
HETATM 1852 O O   . HOH M 5 .  ? 36.86663  -24.60752 22.33940  1.000 34.81711  ? 330 HOH A O   1 
HETATM 1853 O O   . HOH M 5 .  ? 27.11840  -7.90071  13.91764  1.000 35.57227  ? 331 HOH A O   1 
HETATM 1854 O O   . HOH M 5 .  ? 18.97504  -21.00196 0.92645   1.000 42.26182  ? 332 HOH A O   1 
HETATM 1855 O O   . HOH M 5 .  ? 38.56240  -21.04444 22.14094  1.000 32.05581  ? 333 HOH A O   1 
HETATM 1856 O O   . HOH M 5 .  ? 23.161    -37.164   9.836     1.000 34.13177  ? 334 HOH A O   1 
HETATM 1857 O O   . HOH M 5 .  ? 41.22268  -21.60057 22.87162  1.000 41.78334  ? 335 HOH A O   1 
HETATM 1858 O O   . HOH N 5 .  ? 5.57389   -4.36674  1.60702   1.000 42.71700  ? 301 HOH B O   1 
HETATM 1859 O O   . HOH N 5 .  ? 2.28773   -15.53719 2.47217   1.000 40.62849  ? 302 HOH B O   1 
HETATM 1860 O O   . HOH N 5 .  ? -0.35408  -20.13913 -1.19627  1.000 44.32525  ? 303 HOH B O   1 
HETATM 1861 O O   . HOH N 5 .  ? 8.32570   -15.71182 10.93889  1.000 35.46113  ? 304 HOH B O   1 
HETATM 1862 O O   . HOH N 5 .  ? 22.98032  -16.19364 25.00883  1.000 36.54717  ? 305 HOH B O   1 
HETATM 1863 O O   . HOH N 5 .  ? -4.84417  -21.66587 11.13271  1.000 23.43565  ? 306 HOH B O   1 
HETATM 1864 O O   . HOH N 5 .  ? 19.87775  1.68756   11.17722  1.000 44.65064  ? 307 HOH B O   1 
HETATM 1865 O O   . HOH N 5 .  ? 7.95102   0.53979   27.52823  1.000 15.87890  ? 308 HOH B O   1 
HETATM 1866 O O   . HOH N 5 .  ? 4.58285   -20.02373 8.90954   1.000 26.32581  ? 309 HOH B O   1 
HETATM 1867 O O   . HOH N 5 .  ? 11.82028  -11.21777 35.93632  1.000 33.30243  ? 310 HOH B O   1 
HETATM 1868 O O   . HOH N 5 .  ? 17.86105  -8.60182  13.34849  1.000 20.86375  ? 311 HOH B O   1 
HETATM 1869 O O   . HOH N 5 .  ? 4.30212   -14.53553 26.10202  1.000 23.00290  ? 312 HOH B O   1 
HETATM 1870 O O   . HOH N 5 .  ? 1.54523   -24.98498 13.43769  1.000 30.89209  ? 313 HOH B O   1 
HETATM 1871 O O   . HOH N 5 .  ? 0.00047   -1.99599  24.44536  0.625 22.04668  ? 314 HOH B O   1 
HETATM 1872 O O   . HOH N 5 .  ? 18.87655  -5.88723  14.17419  1.000 27.97167  ? 315 HOH B O   1 
HETATM 1873 O O   . HOH N 5 .  ? 1.94469   -2.06070  15.45328  0.961 28.65307  ? 316 HOH B O   1 
HETATM 1874 O O   . HOH N 5 .  ? 2.62089   0.61156   15.18725  1.000 30.67330  ? 317 HOH B O   1 
HETATM 1875 O O   . HOH N 5 .  ? 22.24439  5.72360   21.59106  1.000 37.97094  ? 318 HOH B O   1 
HETATM 1876 O O   . HOH N 5 .  ? 6.30839   -24.34222 3.55865   1.000 40.09376  ? 319 HOH B O   1 
HETATM 1877 O O   . HOH N 5 .  ? 9.46448   -15.40867 23.92310  1.000 15.28039  ? 320 HOH B O   1 
HETATM 1878 O O   . HOH N 5 .  ? -12.17390 -21.08529 0.00001   0.503 37.27048  ? 321 HOH B O   1 
HETATM 1879 O O   . HOH N 5 .  ? 12.82363  -7.02631  35.27246  1.000 25.73121  ? 322 HOH B O   1 
HETATM 1880 O O   . HOH N 5 .  ? 11.302    6.300     27.180    1.000 23.59293  ? 323 HOH B O   1 
HETATM 1881 O O   . HOH N 5 .  ? 23.04419  -6.18529  23.08746  1.000 44.33000  ? 324 HOH B O   1 
HETATM 1882 O O   . HOH N 5 .  ? 6.32064   -6.81873  35.63903  1.000 29.55750  ? 325 HOH B O   1 
HETATM 1883 O O   . HOH N 5 .  ? 12.16206  -18.02756 23.31558  1.000 24.23963  ? 326 HOH B O   1 
HETATM 1884 O O   . HOH N 5 .  ? 1.53759   -19.57332 12.77694  1.000 16.12640  ? 327 HOH B O   1 
HETATM 1885 O O   . HOH N 5 .  ? 15.07462  -0.71904  30.17895  1.000 20.43895  ? 328 HOH B O   1 
HETATM 1886 O O   . HOH N 5 .  ? 6.79157   -24.03316 11.13762  1.000 44.08335  ? 329 HOH B O   1 
HETATM 1887 O O   . HOH N 5 .  ? 2.74098   -12.80096 24.57750  1.000 14.94020  ? 330 HOH B O   1 
HETATM 1888 O O   . HOH N 5 .  ? 4.50423   1.04532   10.48390  1.000 18.71300  ? 331 HOH B O   1 
HETATM 1889 O O   . HOH N 5 .  ? 17.86254  3.81177   26.39814  1.000 31.54596  ? 332 HOH B O   1 
HETATM 1890 O O   . HOH N 5 .  ? 2.64919   -13.62115 7.26269   1.000 25.27860  ? 333 HOH B O   1 
HETATM 1891 O O   . HOH N 5 .  ? 13.15205  -9.19862  8.40909   1.000 27.08897  ? 334 HOH B O   1 
HETATM 1892 O O   . HOH N 5 .  ? 2.42871   -16.51452 6.98605   1.000 24.25326  ? 335 HOH B O   1 
HETATM 1893 O O   . HOH N 5 .  ? 20.58983  -2.60401  16.60523  1.000 39.49970  ? 336 HOH B O   1 
HETATM 1894 O O   . HOH N 5 .  ? 7.69643   -14.10514 34.20524  1.000 27.77649  ? 337 HOH B O   1 
HETATM 1895 O O   . HOH N 5 .  ? -5.25051  -16.14955 6.36219   1.000 19.90946  ? 338 HOH B O   1 
HETATM 1896 O O   . HOH N 5 .  ? 3.38813   -9.02767  36.13426  1.000 33.10179  ? 339 HOH B O   1 
HETATM 1897 O O   . HOH N 5 .  ? 16.62030  -3.66174  32.33652  1.000 38.05258  ? 340 HOH B O   1 
HETATM 1898 O O   . HOH N 5 .  ? -4.60998  -15.84790 10.04079  1.000 16.83292  ? 341 HOH B O   1 
HETATM 1899 O O   . HOH N 5 .  ? 4.07759   -19.81324 11.61671  1.000 21.12014  ? 342 HOH B O   1 
HETATM 1900 O O   . HOH N 5 .  ? 3.33130   -3.65195  10.69348  1.000 16.61953  ? 343 HOH B O   1 
HETATM 1901 O O   . HOH N 5 .  ? -5.82377  -12.87290 3.72912   1.000 23.44777  ? 344 HOH B O   1 
HETATM 1902 O O   . HOH N 5 .  ? 10.05973  -17.23628 25.96177  1.000 20.77764  ? 345 HOH B O   1 
HETATM 1903 O O   . HOH N 5 .  ? 19.68513  8.07886   21.01930  1.000 27.32441  ? 346 HOH B O   1 
HETATM 1904 O O   . HOH N 5 .  ? 17.34967  6.31450   27.77483  1.000 26.78160  ? 347 HOH B O   1 
HETATM 1905 O O   . HOH N 5 .  ? 13.34552  -2.77369  30.81982  1.000 24.03098  ? 348 HOH B O   1 
HETATM 1906 O O   . HOH N 5 .  ? 6.41747   -12.85294 29.99332  1.000 19.35865  ? 349 HOH B O   1 
HETATM 1907 O O   . HOH N 5 .  ? 19.06982  0.71002   28.37054  1.000 41.94423  ? 350 HOH B O   1 
HETATM 1908 O O   . HOH N 5 .  ? 9.72594   -10.56858 6.75647   1.000 26.44988  ? 351 HOH B O   1 
HETATM 1909 O O   . HOH N 5 .  ? 8.22406   -1.25034  1.09945   1.000 37.49447  ? 352 HOH B O   1 
HETATM 1910 O O   . HOH N 5 .  ? 17.85881  1.45839   23.51923  1.000 17.08996  ? 353 HOH B O   1 
HETATM 1911 O O   . HOH N 5 .  ? 19.05198  -9.86462  22.76944  1.000 23.22300  ? 354 HOH B O   1 
HETATM 1912 O O   . HOH N 5 .  ? 15.27773  5.63816   29.26476  1.000 28.43022  ? 355 HOH B O   1 
HETATM 1913 O O   . HOH N 5 .  ? 14.78991  -4.68554  4.70993   1.000 26.34151  ? 356 HOH B O   1 
HETATM 1914 O O   . HOH N 5 .  ? -4.90300  -18.14249 8.44340   1.000 23.55459  ? 357 HOH B O   1 
HETATM 1915 O O   . HOH N 5 .  ? 4.23125   -14.51522 37.14009  1.000 26.60078  ? 358 HOH B O   1 
HETATM 1916 O O   . HOH N 5 .  ? 15.10282  -4.66889  28.17939  1.000 17.09348  ? 359 HOH B O   1 
HETATM 1917 O O   . HOH N 5 .  ? 0.23234   -2.62247  20.71475  1.000 17.37571  ? 360 HOH B O   1 
HETATM 1918 O O   . HOH N 5 .  ? 15.41022  -11.07880 23.04394  1.000 19.20769  ? 361 HOH B O   1 
HETATM 1919 O O   . HOH N 5 .  ? 6.18797   -22.63955 20.92163  1.000 27.37072  ? 362 HOH B O   1 
HETATM 1920 O O   . HOH N 5 .  ? 13.76947  -16.59103 15.66597  1.000 24.05764  ? 363 HOH B O   1 
HETATM 1921 O O   . HOH N 5 .  ? 17.39340  -3.37215  29.34595  1.000 27.99751  ? 364 HOH B O   1 
HETATM 1922 O O   . HOH N 5 .  ? 1.81193   -1.01582  24.45977  0.835 22.72352  ? 365 HOH B O   1 
HETATM 1923 O O   . HOH N 5 .  ? 4.67614   -1.28304  6.80261   1.000 17.62740  ? 366 HOH B O   1 
HETATM 1924 O O   . HOH N 5 .  ? 8.68834   -22.04962 19.47172  1.000 40.56880  ? 367 HOH B O   1 
HETATM 1925 O O   . HOH N 5 .  ? 21.13793  3.52145   15.01664  1.000 24.22929  ? 368 HOH B O   1 
HETATM 1926 O O   . HOH N 5 .  ? 7.30632   -12.02924 7.82889   1.000 32.28121  ? 369 HOH B O   1 
HETATM 1927 O O   . HOH N 5 .  ? 12.45797  -15.78579 11.30649  1.000 38.53859  ? 370 HOH B O   1 
HETATM 1928 O O   . HOH N 5 .  ? 3.52136   -23.22837 21.99347  1.000 46.71655  ? 371 HOH B O   1 
HETATM 1929 O O   . HOH N 5 .  ? 13.42747  -17.99954 28.36050  1.000 33.52910  ? 372 HOH B O   1 
HETATM 1930 O O   . HOH N 5 .  ? 22.70867  -6.06085  20.83926  1.000 32.55458  ? 373 HOH B O   1 
HETATM 1931 O O   . HOH N 5 .  ? 12.46617  6.34516   29.33400  1.000 65.19380  ? 374 HOH B O   1 
HETATM 1932 O O   . HOH N 5 .  ? 1.30389   -4.77787  6.67829   1.000 17.14229  ? 375 HOH B O   1 
HETATM 1933 O O   . HOH N 5 .  ? 11.98595  -12.12772 9.97836   1.000 29.22347  ? 376 HOH B O   1 
HETATM 1934 O O   . HOH N 5 .  ? 19.60141  -0.85510  31.68739  1.000 37.71722  ? 377 HOH B O   1 
HETATM 1935 O O   . HOH N 5 .  ? 13.92772  -5.26807  2.06143   1.000 36.86303  ? 378 HOH B O   1 
HETATM 1936 O O   . HOH N 5 .  ? 14.00624  0.38360   7.72366   1.000 20.54308  ? 379 HOH B O   1 
HETATM 1937 O O   . HOH N 5 .  ? 3.13854   -1.15291  13.97139  1.000 44.27710  ? 380 HOH B O   1 
HETATM 1938 O O   . HOH N 5 .  ? 17.51014  -13.12713 19.05421  1.000 26.14751  ? 381 HOH B O   1 
HETATM 1939 O O   . HOH N 5 .  ? 3.48470   -1.53069  32.48605  1.000 26.32144  ? 382 HOH B O   1 
HETATM 1940 O O   . HOH N 5 .  ? 4.25701   -6.33585  34.01764  1.000 35.47269  ? 383 HOH B O   1 
HETATM 1941 O O   . HOH N 5 .  ? 2.551     -16.805   34.588    1.000 37.49415  ? 384 HOH B O   1 
HETATM 1942 O O   . HOH N 5 .  ? 6.05518   -13.88943 8.32705   1.000 41.61085  ? 385 HOH B O   1 
HETATM 1943 O O   . HOH N 5 .  ? 0.93424   -11.81447 6.33240   1.000 30.42565  ? 386 HOH B O   1 
HETATM 1944 O O   . HOH N 5 .  ? 3.93413   -30.85215 8.89900   1.000 33.71095  ? 387 HOH B O   1 
HETATM 1945 O O   . HOH N 5 .  ? 0.54323   -3.36199  13.42998  1.000 26.75013  ? 388 HOH B O   1 
HETATM 1946 O O   . HOH N 5 .  ? 16.72231  -13.08882 21.70077  1.000 26.27667  ? 389 HOH B O   1 
HETATM 1947 O O   . HOH N 5 .  ? 9.04682   -17.35467 30.56123  1.000 31.04807  ? 390 HOH B O   1 
HETATM 1948 O O   . HOH N 5 .  ? 10.57379  -18.79864 17.37527  1.000 32.96500  ? 391 HOH B O   1 
HETATM 1949 O O   . HOH N 5 .  ? 2.29752   -1.03399  21.72666  1.000 15.78318  ? 392 HOH B O   1 
HETATM 1950 O O   . HOH N 5 .  ? 0.89806   -11.04795 2.68580   1.000 39.71017  ? 393 HOH B O   1 
HETATM 1951 O O   . HOH N 5 .  ? -2.92466  -22.18303 18.02365  1.000 28.01250  ? 394 HOH B O   1 
HETATM 1952 O O   . HOH N 5 .  ? 3.88442   -14.33701 30.34680  1.000 34.49551  ? 395 HOH B O   1 
HETATM 1953 O O   . HOH N 5 .  ? 8.66569   -19.68133 12.58514  1.000 40.85768  ? 396 HOH B O   1 
HETATM 1954 O O   . HOH N 5 .  ? 23.06731  -12.73774 22.10198  1.000 44.31080  ? 397 HOH B O   1 
HETATM 1955 O O   . HOH N 5 .  ? 16.81635  6.92429   31.52492  1.000 44.13630  ? 398 HOH B O   1 
HETATM 1956 O O   . HOH N 5 .  ? 0.001     -0.001    27.823    0.371 25.30697  ? 399 HOH B O   1 
HETATM 1957 O O   . HOH N 5 .  ? -2.97616  -24.96789 14.57610  1.000 34.79135  ? 400 HOH B O   1 
HETATM 1958 O O   . HOH N 5 .  ? 1.340     -14.229   31.062    1.000 31.33742  ? 401 HOH B O   1 
HETATM 1959 O O   . HOH N 5 .  ? -1.22167  -5.08408  7.70788   1.000 21.91630  ? 402 HOH B O   1 
HETATM 1960 O O   . HOH N 5 .  ? 11.713    16.511    27.653    1.000 36.71993  ? 403 HOH B O   1 
HETATM 1961 O O   . HOH N 5 .  ? 21.79773  -10.67002 6.89458   1.000 45.06569  ? 404 HOH B O   1 
HETATM 1962 O O   . HOH N 5 .  ? 17.54481  -2.90857  9.05094   1.000 37.12902  ? 405 HOH B O   1 
HETATM 1963 O O   . HOH N 5 .  ? 1.98399   -1.15724  11.43712  1.000 32.07624  ? 406 HOH B O   1 
HETATM 1964 O O   . HOH N 5 .  ? 15.38302  -17.93830 26.19807  1.000 40.87089  ? 407 HOH B O   1 
HETATM 1965 O O   . HOH N 5 .  ? 9.48549   -13.24462 10.38598  1.000 39.18433  ? 408 HOH B O   1 
HETATM 1966 O O   . HOH N 5 .  ? 2.82367   -23.28932 14.70780  1.000 32.71815  ? 409 HOH B O   1 
HETATM 1967 O O   . HOH N 5 .  ? -7.312    -14.129   9.842     1.000 39.80728  ? 410 HOH B O   1 
HETATM 1968 O O   . HOH N 5 .  ? 21.71167  -8.75670  22.54784  1.000 35.52404  ? 411 HOH B O   1 
HETATM 1969 O O   . HOH N 5 .  ? 20.38696  -7.38035  12.51100  1.000 40.95281  ? 412 HOH B O   1 
HETATM 1970 O O   . HOH N 5 .  ? -5.48825  -12.23279 1.15013   1.000 37.90545  ? 413 HOH B O   1 
HETATM 1971 O O   . HOH N 5 .  ? -7.53336  -16.34557 2.50340   1.000 37.54518  ? 414 HOH B O   1 
HETATM 1972 O O   . HOH N 5 .  ? -4.47612  -23.05010 13.61832  1.000 28.78033  ? 415 HOH B O   1 
HETATM 1973 O O   . HOH N 5 .  ? 10.118    -14.854   34.758    1.000 48.16492  ? 416 HOH B O   1 
HETATM 1974 O O   . HOH N 5 .  ? 16.70377  -0.98693  32.36800  1.000 37.35674  ? 417 HOH B O   1 
HETATM 1975 O O   . HOH N 5 .  ? 0.00097   -0.00000  30.65012  0.336 23.31326  ? 418 HOH B O   1 
HETATM 1976 O O   . HOH N 5 .  ? 7.37001   -14.62290 31.83552  1.000 37.11205  ? 419 HOH B O   1 
HETATM 1977 O O   . HOH N 5 .  ? 11.418    -11.687   40.633    1.000 41.93778  ? 420 HOH B O   1 
HETATM 1978 O O   . HOH N 5 .  ? 19.65279  1.41596   25.74478  1.000 39.33986  ? 421 HOH B O   1 
HETATM 1979 O O   . HOH N 5 .  ? 16.46208  -2.88073  4.70963   1.000 40.08010  ? 422 HOH B O   1 
HETATM 1980 O O   . HOH N 5 .  ? 4.02747   -9.44981  4.67568   1.000 34.03907  ? 423 HOH B O   1 
HETATM 1981 O O   . HOH N 5 .  ? 11.68608  -19.45693 25.71269  1.000 45.14699  ? 424 HOH B O   1 
HETATM 1982 O O   . HOH N 5 .  ? -4.75017  -15.41725 3.72466   1.000 23.25277  ? 425 HOH B O   1 
HETATM 1983 O O   . HOH N 5 .  ? 3.04990   -3.11463  8.02086   1.000 21.97413  ? 426 HOH B O   1 
HETATM 1984 O O   . HOH N 5 .  ? 14.60900  -18.83875 22.48847  1.000 43.07132  ? 427 HOH B O   1 
HETATM 1985 O O   . HOH N 5 .  ? 5.04437   -17.70012 7.42679   1.000 36.76431  ? 428 HOH B O   1 
HETATM 1986 O O   . HOH N 5 .  ? 15.768    -0.659    5.727     1.000 35.09403  ? 429 HOH B O   1 
HETATM 1987 O O   . HOH N 5 .  ? 1.28414   -4.42724  4.02327   1.000 32.08086  ? 430 HOH B O   1 
HETATM 1988 O O   . HOH N 5 .  ? 17.13573  -14.98879 17.44330  1.000 40.45820  ? 431 HOH B O   1 
HETATM 1989 O O   . HOH N 5 .  ? -7.87979  -15.96995 6.29138   1.000 38.03384  ? 432 HOH B O   1 
HETATM 1990 O O   . HOH N 5 .  ? -9.36731  -21.39615 5.86863   1.000 43.81964  ? 433 HOH B O   1 
HETATM 1991 O O   . HOH N 5 .  ? 24.75124  -2.81896  21.56740  1.000 45.79861  ? 434 HOH B O   1 
HETATM 1992 O O   . HOH N 5 .  ? 3.75022   -1.40831  4.16239   1.000 28.36069  ? 435 HOH B O   1 
HETATM 1993 O O   . HOH N 5 .  ? 5.66537   -24.49605 18.97469  1.000 44.24709  ? 436 HOH B O   1 
HETATM 1994 O O   . HOH N 5 .  ? -5.561    -21.898   15.961    1.000 28.72507  ? 437 HOH B O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1399 C C39 . 7AZ E . ? 0.20783 0.22770 0.27001 -0.00966 -0.05399 0.03312  103 7AZ A C39 
1400 C C40 . 7AZ E . ? 0.20348 0.23303 0.28558 0.00691  -0.07729 0.03258  103 7AZ A C40 
1401 C C26 . 7AZ E . ? 0.26511 0.36711 0.29663 0.12179  -0.01884 -0.01687 103 7AZ A C26 
1402 C C27 . 7AZ E . ? 0.22331 0.30953 0.24485 0.10089  -0.04197 0.02854  103 7AZ A C27 
1403 C C28 . 7AZ E . ? 0.22271 0.32442 0.23214 0.06327  -0.03765 0.07303  103 7AZ A C28 
1404 C C29 . 7AZ E . ? 0.20247 0.33401 0.24852 0.03228  -0.03784 0.09984  103 7AZ A C29 
1405 C C30 . 7AZ E . ? 0.19736 0.38704 0.27208 0.07656  -0.05127 0.08955  103 7AZ A C30 
1406 C C31 . 7AZ E . ? 0.19186 0.32784 0.24336 0.06900  -0.03908 0.08271  103 7AZ A C31 
1407 C C32 . 7AZ E . ? 0.17745 0.37561 0.27218 0.02720  -0.05398 0.09054  103 7AZ A C32 
1408 C C33 . 7AZ E . ? 0.16747 0.43892 0.28332 0.01975  -0.06202 0.08078  103 7AZ A C33 
1409 C C34 . 7AZ E . ? 0.20346 0.29724 0.25110 0.02644  -0.06328 0.07858  103 7AZ A C34 
1410 C C35 . 7AZ E . ? 0.22901 0.25976 0.25133 0.01888  -0.08216 0.03936  103 7AZ A C35 
1411 O O38 . 7AZ E . ? 0.26366 0.16189 0.28926 0.00754  -0.05824 0.00577  103 7AZ A O38 
1412 C C1  . 7AZ E . ? 0.21994 0.29475 0.25177 0.02563  -0.04643 -0.03907 103 7AZ A C1  
1413 C C2  . 7AZ E . ? 0.18727 0.24100 0.24782 0.05152  -0.04148 -0.01026 103 7AZ A C2  
1414 C C3  . 7AZ E . ? 0.22210 0.30271 0.25014 0.04970  -0.06144 -0.07104 103 7AZ A C3  
1415 C C4  . 7AZ E . ? 0.22005 0.26203 0.23411 0.02932  -0.02986 -0.00798 103 7AZ A C4  
1416 C C5  . 7AZ E . ? 0.22404 0.22606 0.23717 0.04767  -0.05302 0.01431  103 7AZ A C5  
1417 C C6  . 7AZ E . ? 0.21617 0.25213 0.23282 0.05719  -0.07816 -0.03405 103 7AZ A C6  
1418 C C7  . 7AZ E . ? 0.22163 0.19281 0.24313 0.01516  -0.07729 -0.01314 103 7AZ A C7  
1419 C C8  . 7AZ E . ? 0.22447 0.20523 0.25357 0.02002  -0.07651 0.04354  103 7AZ A C8  
1420 C C9  . 7AZ E . ? 0.26634 0.27035 0.26490 0.01705  -0.07295 0.07037  103 7AZ A C9  
1421 C C10 . 7AZ E . ? 0.26078 0.26044 0.28130 0.01212  -0.07547 0.05961  103 7AZ A C10 
1422 C C11 . 7AZ E . ? 0.23624 0.16240 0.25799 -0.00457 -0.06510 0.04182  103 7AZ A C11 
1423 C C12 . 7AZ E . ? 0.25804 0.19894 0.25092 0.02784  -0.08794 0.03428  103 7AZ A C12 
1424 C C13 . 7AZ E . ? 0.28161 0.30191 0.27078 -0.02919 -0.07358 0.09285  103 7AZ A C13 
1425 C C14 . 7AZ E . ? 0.24415 0.19251 0.27902 0.01674  -0.08555 0.03319  103 7AZ A C14 
1426 C C15 . 7AZ E . ? 0.27863 0.15035 0.28521 0.00836  -0.08212 0.03506  103 7AZ A C15 
1427 C C16 . 7AZ E . ? 0.29793 0.18722 0.31854 -0.02802 -0.07965 0.04163  103 7AZ A C16 
1428 C C17 . 7AZ E . ? 0.31118 0.18489 0.31053 0.02408  -0.11012 0.03274  103 7AZ A C17 
1429 C C18 . 7AZ E . ? 0.26374 0.18821 0.28983 0.01580  -0.07472 0.02475  103 7AZ A C18 
1430 C C19 . 7AZ E . ? 0.25667 0.22272 0.28918 0.01103  -0.09195 0.01716  103 7AZ A C19 
1431 C C20 . 7AZ E . ? 0.33350 0.19945 0.32857 -0.00355 -0.09888 0.03077  103 7AZ A C20 
1432 C C21 . 7AZ E . ? 0.27397 0.26121 0.27727 0.05011  -0.04613 0.02108  103 7AZ A C21 
1433 C C22 . 7AZ E . ? 0.27425 0.24940 0.26659 0.07336  -0.04254 0.03127  103 7AZ A C22 
1434 C C23 . 7AZ E . ? 0.25687 0.35648 0.25365 0.09973  -0.03869 0.01857  103 7AZ A C23 
1435 C C24 . 7AZ E . ? 0.22964 0.25068 0.25051 0.09167  -0.01378 0.04042  103 7AZ A C24 
1436 C C25 . 7AZ E . ? 0.28097 0.30047 0.28633 0.08647  -0.03567 0.02284  103 7AZ A C25 
1437 O O72 . 7AZ E . ? 0.27544 0.31017 0.35263 -0.02919 -0.03673 0.00094  103 7AZ A O72 
1438 P P51 . 7AZ E . ? 0.23856 0.25219 0.31188 -0.00845 -0.10609 0.04306  103 7AZ A P51 
1439 O O52 . 7AZ E . ? 0.27537 0.28555 0.33605 0.02581  -0.11783 -0.00269 103 7AZ A O52 
1440 O O63 . 7AZ E . ? 0.26728 0.28588 0.34106 -0.04116 -0.10116 0.03929  103 7AZ A O63 
1441 C C44 . 7AZ E . ? 0.20799 0.22717 0.28356 -0.04925 -0.12035 0.03057  103 7AZ A C44 
1442 C C43 . 7AZ E . ? 0.19403 0.22118 0.28702 -0.02658 -0.13467 0.02273  103 7AZ A C43 
1443 P P49 . 7AZ E . ? 0.26298 0.31704 0.29808 0.01659  0.00376  -0.02505 103 7AZ A P49 
1444 O O62 . 7AZ E . ? 0.37272 0.36956 0.30516 0.09275  -0.00886 -0.02505 103 7AZ A O62 
1445 O O61 . 7AZ E . ? 0.37188 0.40813 0.32906 0.04197  0.04034  -0.03283 103 7AZ A O61 
1446 O O50 . 7AZ E . ? 0.34647 0.43450 0.32866 0.06048  0.00845  -0.03785 103 7AZ A O50 
1447 C C41 . 7AZ E . ? 0.20276 0.23493 0.26066 -0.02490 -0.09287 0.02635  103 7AZ A C41 
1448 C C45 . 7AZ E . ? 0.25107 0.22429 0.25721 0.00948  -0.09078 0.04015  103 7AZ A C45 
1449 C C42 . 7AZ E . ? 0.20985 0.24295 0.24927 0.00487  -0.09784 0.01418  103 7AZ A C42 
1450 O O48 . 7AZ E . ? 0.24208 0.25509 0.25194 0.02615  -0.08300 0.01416  103 7AZ A O48 
1451 O O47 . 7AZ E . ? 0.20842 0.31732 0.26447 0.07464  -0.04176 0.06484  103 7AZ A O47 
1452 P P53 . 7AZ E . ? 0.23361 0.54814 0.33345 0.03696  0.01354  0.11614  103 7AZ A P53 
1453 O O65 . 7AZ E . ? 0.32927 0.58294 0.34856 0.03646  0.07539  0.12062  103 7AZ A O65 
1454 O O64 . 7AZ E . ? 0.19786 0.61755 0.39484 0.09150  0.02068  0.14997  103 7AZ A O64 
1455 O O54 . 7AZ E . ? 0.25670 0.54823 0.39301 0.06726  0.03546  0.14752  103 7AZ A O54 
1456 O O46 . 7AZ E . ? 0.23100 0.21456 0.26498 0.06346  -0.04828 0.02987  103 7AZ A O46 
1457 P P55 . 7AZ E . ? 0.34494 0.47927 0.35506 0.13339  -0.00051 -0.04791 103 7AZ A P55 
1458 O O69 . 7AZ E . ? 0.35814 0.51894 0.35169 0.16704  -0.01691 -0.01895 103 7AZ A O69 
1459 O O68 . 7AZ E . ? 0.42680 0.52220 0.39000 0.18891  -0.01736 -0.05536 103 7AZ A O68 
1460 O O56 . 7AZ E . ? 0.37088 0.61406 0.37891 0.15332  0.02045  0.00937  103 7AZ A O56 
1461 P P57 . 7AZ E . ? 0.42670 0.21483 0.36773 0.02047  -0.12325 0.00133  103 7AZ A P57 
1462 O O67 . 7AZ E . ? 0.52821 0.28963 0.35391 0.05087  -0.09027 0.00305  103 7AZ A O67 
1463 O O66 . 7AZ E . ? 0.46990 0.23108 0.41130 0.06362  -0.14089 0.00726  103 7AZ A O66 
1464 O O58 . 7AZ E . ? 0.45860 0.25462 0.42211 0.02970  -0.07101 0.00600  103 7AZ A O58 
1465 P P59 . 7AZ E . ? 0.31604 0.31615 0.28187 -0.06481 -0.05687 0.07892  103 7AZ A P59 
1466 O O71 . 7AZ E . ? 0.45029 0.48929 0.35761 0.03391  -0.00514 0.08220  103 7AZ A O71 
1467 O O70 . 7AZ E . ? 0.44038 0.47046 0.37528 0.01286  -0.02844 0.05064  103 7AZ A O70 
1468 O O60 . 7AZ E . ? 0.44630 0.45613 0.34161 0.00586  -0.02924 0.08030  103 7AZ A O60 
1469 O O37 . 7AZ E . ? 0.22052 0.19605 0.26532 0.02913  -0.05380 0.03986  103 7AZ A O37 
1470 O O36 . 7AZ E . ? 0.20646 0.22561 0.25306 0.01121  -0.03832 0.00623  103 7AZ A O36 
1561 C C39 . 7AZ I . ? 0.22695 0.25272 0.27003 -0.02242 0.00357  -0.07801 202 7AZ B C39 
1562 C C40 . 7AZ I . ? 0.22787 0.21229 0.27035 -0.04002 0.05149  -0.07037 202 7AZ B C40 
1563 C C26 . 7AZ I . ? 0.41054 0.26580 0.31665 0.13445  -0.06705 -0.07285 202 7AZ B C26 
1564 C C27 . 7AZ I . ? 0.33427 0.23026 0.28970 0.10299  -0.04669 -0.06560 202 7AZ B C27 
1565 C C28 . 7AZ I . ? 0.31838 0.27942 0.29366 0.08818  -0.02402 -0.11245 202 7AZ B C28 
1566 C C29 . 7AZ I . ? 0.25687 0.28561 0.30939 0.06184  -0.03645 -0.10244 202 7AZ B C29 
1567 C C30 . 7AZ I . ? 0.23285 0.32895 0.35266 0.02167  -0.03463 -0.07427 202 7AZ B C30 
1568 C C31 . 7AZ I . ? 0.23134 0.24520 0.28785 0.02878  -0.01155 -0.07483 202 7AZ B C31 
1569 C C32 . 7AZ I . ? 0.23126 0.29494 0.34717 0.07210  -0.02028 -0.09110 202 7AZ B C32 
1570 C C33 . 7AZ I . ? 0.23939 0.35479 0.38393 0.01562  -0.04683 -0.07513 202 7AZ B C33 
1571 C C34 . 7AZ I . ? 0.24975 0.29427 0.30585 0.05979  -0.01951 -0.08715 202 7AZ B C34 
1572 C C35 . 7AZ I . ? 0.27823 0.32299 0.29928 0.05473  -0.01283 -0.07309 202 7AZ B C35 
1573 O O38 . 7AZ I . ? 0.33509 0.22043 0.24617 0.04702  0.00654  -0.02114 202 7AZ B O38 
1574 C C1  . 7AZ I . ? 0.31084 0.18045 0.28865 0.02841  -0.01272 -0.03571 202 7AZ B C1  
1575 C C2  . 7AZ I . ? 0.22977 0.24086 0.22865 -0.00026 -0.01706 -0.05740 202 7AZ B C2  
1576 C C3  . 7AZ I . ? 0.27626 0.17370 0.26919 0.00753  -0.00509 -0.02220 202 7AZ B C3  
1577 C C4  . 7AZ I . ? 0.24281 0.21009 0.27675 -0.01684 -0.01246 -0.05091 202 7AZ B C4  
1578 C C5  . 7AZ I . ? 0.20382 0.22570 0.25102 -0.00014 -0.02859 -0.07345 202 7AZ B C5  
1579 C C6  . 7AZ I . ? 0.24504 0.17329 0.25579 -0.00725 -0.01399 -0.03648 202 7AZ B C6  
1580 C C7  . 7AZ I . ? 0.23610 0.17759 0.23175 -0.00614 0.01130  -0.03041 202 7AZ B C7  
1581 C C8  . 7AZ I . ? 0.23757 0.18832 0.23243 0.00184  -0.00384 -0.08042 202 7AZ B C8  
1582 C C9  . 7AZ I . ? 0.29625 0.18096 0.24948 0.00684  0.01755  -0.06055 202 7AZ B C9  
1583 C C10 . 7AZ I . ? 0.26098 0.20430 0.25835 -0.03190 0.01853  -0.07451 202 7AZ B C10 
1584 C C11 . 7AZ I . ? 0.27725 0.19614 0.21132 0.05115  0.00751  -0.09013 202 7AZ B C11 
1585 C C12 . 7AZ I . ? 0.33767 0.15410 0.22136 0.02685  0.02720  -0.03988 202 7AZ B C12 
1586 C C13 . 7AZ I . ? 0.24895 0.22195 0.28268 -0.04582 0.01413  -0.06065 202 7AZ B C13 
1587 C C14 . 7AZ I . ? 0.42577 0.16800 0.22795 0.04295  -0.00181 -0.04830 202 7AZ B C14 
1588 C C15 . 7AZ I . ? 0.42735 0.16507 0.19938 -0.00267 0.00783  -0.03900 202 7AZ B C15 
1589 C C16 . 7AZ I . ? 0.47831 0.15300 0.25734 0.04905  0.01352  -0.04774 202 7AZ B C16 
1590 C C17 . 7AZ I . ? 0.48901 0.15646 0.22332 -0.03643 0.00451  -0.04330 202 7AZ B C17 
1591 C C18 . 7AZ I . ? 0.37340 0.19274 0.22183 0.00898  -0.00444 -0.02699 202 7AZ B C18 
1592 C C19 . 7AZ I . ? 0.40723 0.16385 0.25167 0.03581  -0.00533 -0.04370 202 7AZ B C19 
1593 C C20 . 7AZ I . ? 0.54862 0.17138 0.26334 -0.02062 0.02300  0.00447  202 7AZ B C20 
1594 C C21 . 7AZ I . ? 0.38415 0.18610 0.27063 0.02695  -0.01539 -0.05137 202 7AZ B C21 
1595 C C22 . 7AZ I . ? 0.37481 0.21914 0.29134 0.08847  -0.05225 -0.04112 202 7AZ B C22 
1596 C C23 . 7AZ I . ? 0.38185 0.23743 0.30403 0.12083  -0.05976 -0.07082 202 7AZ B C23 
1597 C C24 . 7AZ I . ? 0.37157 0.23549 0.28574 0.10132  -0.05050 -0.06456 202 7AZ B C24 
1598 C C25 . 7AZ I . ? 0.41194 0.25362 0.28820 0.12075  -0.06218 -0.05062 202 7AZ B C25 
1599 O O72 . 7AZ I . ? 0.52423 0.37563 0.35569 -0.02003 0.05742  0.00730  202 7AZ B O72 
1600 P P51 . 7AZ I . ? 0.40600 0.32559 0.33249 -0.07918 0.09029  -0.03122 202 7AZ B P51 
1601 O O52 . 7AZ I . ? 0.49493 0.38817 0.39088 -0.02529 0.07633  -0.04388 202 7AZ B O52 
1602 O O63 . 7AZ I . ? 0.50052 0.38320 0.41042 -0.03800 0.07071  0.05337  202 7AZ B O63 
1603 C C44 . 7AZ I . ? 0.29613 0.29352 0.28487 -0.06825 0.09058  -0.05619 202 7AZ B C44 
1604 C C43 . 7AZ I . ? 0.25268 0.24323 0.27865 -0.06939 0.05294  -0.06151 202 7AZ B C43 
1605 P P49 . 7AZ I . ? 0.29764 0.25790 0.31987 0.04283  -0.01296 -0.00142 202 7AZ B P49 
1606 O O62 . 7AZ I . ? 0.34327 0.37059 0.36860 0.06101  -0.00979 -0.00153 202 7AZ B O62 
1607 O O61 . 7AZ I . ? 0.42866 0.33684 0.35689 0.12787  -0.03843 -0.01830 202 7AZ B O61 
1608 O O50 . 7AZ I . ? 0.39355 0.34665 0.37008 0.08264  -0.00194 -0.01165 202 7AZ B O50 
1609 C C41 . 7AZ I . ? 0.28008 0.28787 0.28087 -0.01812 0.07578  -0.08892 202 7AZ B C41 
1610 C C45 . 7AZ I . ? 0.26713 0.28552 0.27890 -0.01852 0.02732  -0.07849 202 7AZ B C45 
1611 C C42 . 7AZ I . ? 0.28922 0.25387 0.28072 0.01949  0.02236  -0.08778 202 7AZ B C42 
1612 O O48 . 7AZ I . ? 0.32158 0.25068 0.28049 0.00347  -0.00087 -0.07000 202 7AZ B O48 
1613 O O47 . 7AZ I . ? 0.25506 0.23199 0.27997 -0.00367 -0.00870 -0.02912 202 7AZ B O47 
1614 P P53 . 7AZ I . ? 0.23902 0.48543 0.46776 -0.04372 -0.05685 -0.01808 202 7AZ B P53 
1615 O O65 . 7AZ I . ? 0.37741 0.55913 0.52120 0.10465  -0.04775 -0.02483 202 7AZ B O65 
1616 O O64 . 7AZ I . ? 0.32141 0.57675 0.51381 -0.02572 -0.06728 -0.02952 202 7AZ B O64 
1617 O O54 . 7AZ I . ? 0.33073 0.57979 0.50205 0.02132  -0.04610 -0.03040 202 7AZ B O54 
1618 O O46 . 7AZ I . ? 0.34420 0.21558 0.26475 0.03517  -0.05776 -0.05733 202 7AZ B O46 
1619 P P55 . 7AZ I . ? 0.46508 0.33478 0.36981 0.17528  -0.10814 -0.08447 202 7AZ B P55 
1620 O O69 . 7AZ I . ? 0.52262 0.48523 0.37388 0.13601  -0.09989 -0.04479 202 7AZ B O69 
1621 O O68 . 7AZ I . ? 0.56066 0.47071 0.39175 0.23726  -0.11379 -0.08457 202 7AZ B O68 
1622 O O56 . 7AZ I . ? 0.50921 0.38684 0.39984 0.15261  -0.17199 -0.05068 202 7AZ B O56 
1623 P P57 . 7AZ I . ? 0.69417 0.21019 0.29808 -0.06680 0.03755  -0.00143 202 7AZ B P57 
1624 O O67 . 7AZ I . ? 0.71483 0.39862 0.29932 -0.07929 0.05995  -0.00481 202 7AZ B O67 
1625 O O66 . 7AZ I . ? 0.75143 0.23478 0.34241 -0.05997 0.05257  -0.03522 202 7AZ B O66 
1626 O O58 . 7AZ I . ? 0.70861 0.40028 0.35399 -0.01512 0.03349  0.08913  202 7AZ B O58 
1627 P P59 . 7AZ I . ? 0.29394 0.23489 0.33766 -0.04337 0.00801  -0.09814 202 7AZ B P59 
1628 O O71 . 7AZ I . ? 0.32984 0.22831 0.36066 -0.03747 0.02419  -0.01186 202 7AZ B O71 
1629 O O70 . 7AZ I . ? 0.27643 0.33081 0.36943 -0.02610 -0.01793 -0.12257 202 7AZ B O70 
1630 O O60 . 7AZ I . ? 0.29966 0.29985 0.36602 0.01111  0.00151  -0.14279 202 7AZ B O60 
1631 O O37 . 7AZ I . ? 0.30373 0.21409 0.24543 0.06502  0.03317  -0.05511 202 7AZ B O37 
1632 O O36 . 7AZ I . ? 0.25447 0.22531 0.23176 0.00647  -0.00073 -0.04474 202 7AZ B O36 
# 
