data_9HBD
# 
_entry.id   9HBD 
# 
_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   9HBD         pdb_00009hbd 10.2210/pdb9hbd/pdb 
WWPDB D_1292142989 ?            ?                   
# 
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                        9HBD 
_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 'phosphonato-calix[6]arene'     1116.611 4   ? ? ? ? 
3 non-polymer syn beta-D-fructopyranose           180.156  4   ? ? ? ? 
4 water       nat water                           18.015   324 ? ? ? ? 
# 
_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 'phosphonato-calix[6]arene' 7AZ 
3 beta-D-fructopyranose       BDF 
4 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   
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 7AZ 1   101 101 7AZ 7AZ A . 
D 2 7AZ 1   102 201 7AZ 7AZ A . 
E 3 BDF 1   103 301 BDF BDF A . 
F 3 BDF 1   104 401 BDF BDF A . 
G 2 7AZ 1   101 101 7AZ 7AZ B . 
H 2 7AZ 1   102 201 7AZ 7AZ B . 
I 3 BDF 1   103 301 BDF BDF B . 
J 3 BDF 1   104 401 BDF BDF B . 
K 4 HOH 1   201 226 HOH HOH A . 
K 4 HOH 2   202 122 HOH HOH A . 
K 4 HOH 3   203 113 HOH HOH A . 
K 4 HOH 4   204 351 HOH HOH A . 
K 4 HOH 5   205 173 HOH HOH A . 
K 4 HOH 6   206 217 HOH HOH A . 
K 4 HOH 7   207 233 HOH HOH A . 
K 4 HOH 8   208 8   HOH HOH A . 
K 4 HOH 9   209 39  HOH HOH A . 
K 4 HOH 10  210 157 HOH HOH A . 
K 4 HOH 11  211 29  HOH HOH A . 
K 4 HOH 12  212 274 HOH HOH A . 
K 4 HOH 13  213 148 HOH HOH A . 
K 4 HOH 14  214 238 HOH HOH A . 
K 4 HOH 15  215 81  HOH HOH A . 
K 4 HOH 16  216 284 HOH HOH A . 
K 4 HOH 17  217 137 HOH HOH A . 
K 4 HOH 18  218 175 HOH HOH A . 
K 4 HOH 19  219 77  HOH HOH A . 
K 4 HOH 20  220 146 HOH HOH A . 
K 4 HOH 21  221 13  HOH HOH A . 
K 4 HOH 22  222 44  HOH HOH A . 
K 4 HOH 23  223 344 HOH HOH A . 
K 4 HOH 24  224 165 HOH HOH A . 
K 4 HOH 25  225 359 HOH HOH A . 
K 4 HOH 26  226 35  HOH HOH A . 
K 4 HOH 27  227 323 HOH HOH A . 
K 4 HOH 28  228 92  HOH HOH A . 
K 4 HOH 29  229 4   HOH HOH A . 
K 4 HOH 30  230 231 HOH HOH A . 
K 4 HOH 31  231 1   HOH HOH A . 
K 4 HOH 32  232 378 HOH HOH A . 
K 4 HOH 33  233 88  HOH HOH A . 
K 4 HOH 34  234 16  HOH HOH A . 
K 4 HOH 35  235 99  HOH HOH A . 
K 4 HOH 36  236 133 HOH HOH A . 
K 4 HOH 37  237 33  HOH HOH A . 
K 4 HOH 38  238 50  HOH HOH A . 
K 4 HOH 39  239 78  HOH HOH A . 
K 4 HOH 40  240 83  HOH HOH A . 
K 4 HOH 41  241 68  HOH HOH A . 
K 4 HOH 42  242 106 HOH HOH A . 
K 4 HOH 43  243 222 HOH HOH A . 
K 4 HOH 44  244 266 HOH HOH A . 
K 4 HOH 45  245 209 HOH HOH A . 
K 4 HOH 46  246 191 HOH HOH A . 
K 4 HOH 47  247 11  HOH HOH A . 
K 4 HOH 48  248 58  HOH HOH A . 
K 4 HOH 49  249 178 HOH HOH A . 
K 4 HOH 50  250 160 HOH HOH A . 
K 4 HOH 51  251 192 HOH HOH A . 
K 4 HOH 52  252 30  HOH HOH A . 
K 4 HOH 53  253 186 HOH HOH A . 
K 4 HOH 54  254 131 HOH HOH A . 
K 4 HOH 55  255 57  HOH HOH A . 
K 4 HOH 56  256 377 HOH HOH A . 
K 4 HOH 57  257 239 HOH HOH A . 
K 4 HOH 58  258 200 HOH HOH A . 
K 4 HOH 59  259 91  HOH HOH A . 
K 4 HOH 60  260 142 HOH HOH A . 
K 4 HOH 61  261 214 HOH HOH A . 
K 4 HOH 62  262 90  HOH HOH A . 
K 4 HOH 63  263 152 HOH HOH A . 
K 4 HOH 64  264 362 HOH HOH A . 
K 4 HOH 65  265 31  HOH HOH A . 
K 4 HOH 66  266 132 HOH HOH A . 
K 4 HOH 67  267 41  HOH HOH A . 
K 4 HOH 68  268 22  HOH HOH A . 
K 4 HOH 69  269 167 HOH HOH A . 
K 4 HOH 70  270 63  HOH HOH A . 
K 4 HOH 71  271 120 HOH HOH A . 
K 4 HOH 72  272 9   HOH HOH A . 
K 4 HOH 73  273 130 HOH HOH A . 
K 4 HOH 74  274 23  HOH HOH A . 
K 4 HOH 75  275 364 HOH HOH A . 
K 4 HOH 76  276 74  HOH HOH A . 
K 4 HOH 77  277 159 HOH HOH A . 
K 4 HOH 78  278 105 HOH HOH A . 
K 4 HOH 79  279 102 HOH HOH A . 
K 4 HOH 80  280 34  HOH HOH A . 
K 4 HOH 81  281 221 HOH HOH A . 
K 4 HOH 82  282 3   HOH HOH A . 
K 4 HOH 83  283 273 HOH HOH A . 
K 4 HOH 84  284 134 HOH HOH A . 
K 4 HOH 85  285 65  HOH HOH A . 
K 4 HOH 86  286 107 HOH HOH A . 
K 4 HOH 87  287 128 HOH HOH A . 
K 4 HOH 88  288 104 HOH HOH A . 
K 4 HOH 89  289 326 HOH HOH A . 
K 4 HOH 90  290 75  HOH HOH A . 
K 4 HOH 91  291 7   HOH HOH A . 
K 4 HOH 92  292 96  HOH HOH A . 
K 4 HOH 93  293 60  HOH HOH A . 
K 4 HOH 94  294 216 HOH HOH A . 
K 4 HOH 95  295 290 HOH HOH A . 
K 4 HOH 96  296 26  HOH HOH A . 
K 4 HOH 97  297 184 HOH HOH A . 
K 4 HOH 98  298 108 HOH HOH A . 
K 4 HOH 99  299 360 HOH HOH A . 
K 4 HOH 100 300 56  HOH HOH A . 
K 4 HOH 101 301 194 HOH HOH A . 
K 4 HOH 102 302 325 HOH HOH A . 
K 4 HOH 103 303 14  HOH HOH A . 
K 4 HOH 104 304 269 HOH HOH A . 
K 4 HOH 105 305 314 HOH HOH A . 
K 4 HOH 106 306 211 HOH HOH A . 
K 4 HOH 107 307 169 HOH HOH A . 
K 4 HOH 108 308 43  HOH HOH A . 
K 4 HOH 109 309 126 HOH HOH A . 
K 4 HOH 110 310 124 HOH HOH A . 
K 4 HOH 111 311 243 HOH HOH A . 
K 4 HOH 112 312 232 HOH HOH A . 
K 4 HOH 113 313 195 HOH HOH A . 
K 4 HOH 114 314 196 HOH HOH A . 
K 4 HOH 115 315 21  HOH HOH A . 
K 4 HOH 116 316 249 HOH HOH A . 
K 4 HOH 117 317 313 HOH HOH A . 
K 4 HOH 118 318 295 HOH HOH A . 
K 4 HOH 119 319 181 HOH HOH A . 
K 4 HOH 120 320 115 HOH HOH A . 
K 4 HOH 121 321 84  HOH HOH A . 
K 4 HOH 122 322 235 HOH HOH A . 
K 4 HOH 123 323 70  HOH HOH A . 
K 4 HOH 124 324 189 HOH HOH A . 
K 4 HOH 125 325 48  HOH HOH A . 
K 4 HOH 126 326 149 HOH HOH A . 
K 4 HOH 127 327 255 HOH HOH A . 
K 4 HOH 128 328 164 HOH HOH A . 
K 4 HOH 129 329 201 HOH HOH A . 
K 4 HOH 130 330 341 HOH HOH A . 
K 4 HOH 131 331 308 HOH HOH A . 
K 4 HOH 132 332 36  HOH HOH A . 
K 4 HOH 133 333 227 HOH HOH A . 
K 4 HOH 134 334 177 HOH HOH A . 
K 4 HOH 135 335 252 HOH HOH A . 
K 4 HOH 136 336 140 HOH HOH A . 
K 4 HOH 137 337 283 HOH HOH A . 
K 4 HOH 138 338 280 HOH HOH A . 
K 4 HOH 139 339 376 HOH HOH A . 
K 4 HOH 140 340 225 HOH HOH A . 
K 4 HOH 141 341 267 HOH HOH A . 
K 4 HOH 142 342 153 HOH HOH A . 
K 4 HOH 143 343 206 HOH HOH A . 
K 4 HOH 144 344 171 HOH HOH A . 
K 4 HOH 145 345 100 HOH HOH A . 
K 4 HOH 146 346 318 HOH HOH A . 
K 4 HOH 147 347 141 HOH HOH A . 
K 4 HOH 148 348 139 HOH HOH A . 
K 4 HOH 149 349 101 HOH HOH A . 
K 4 HOH 150 350 257 HOH HOH A . 
K 4 HOH 151 351 103 HOH HOH A . 
K 4 HOH 152 352 166 HOH HOH A . 
K 4 HOH 153 353 310 HOH HOH A . 
K 4 HOH 154 354 145 HOH HOH A . 
K 4 HOH 155 355 349 HOH HOH A . 
K 4 HOH 156 356 170 HOH HOH A . 
K 4 HOH 157 357 203 HOH HOH A . 
K 4 HOH 158 358 18  HOH HOH A . 
K 4 HOH 159 359 55  HOH HOH A . 
K 4 HOH 160 360 220 HOH HOH A . 
K 4 HOH 161 361 272 HOH HOH A . 
K 4 HOH 162 362 87  HOH HOH A . 
K 4 HOH 163 363 212 HOH HOH A . 
K 4 HOH 164 364 278 HOH HOH A . 
K 4 HOH 165 365 135 HOH HOH A . 
K 4 HOH 166 366 46  HOH HOH A . 
K 4 HOH 167 367 354 HOH HOH A . 
K 4 HOH 168 368 286 HOH HOH A . 
K 4 HOH 169 369 288 HOH HOH A . 
K 4 HOH 170 370 97  HOH HOH A . 
K 4 HOH 171 371 179 HOH HOH A . 
K 4 HOH 172 372 302 HOH HOH A . 
K 4 HOH 173 373 205 HOH HOH A . 
K 4 HOH 174 374 292 HOH HOH A . 
K 4 HOH 175 375 270 HOH HOH A . 
K 4 HOH 176 376 275 HOH HOH A . 
L 4 HOH 1   301 301 HOH HOH B . 
L 4 HOH 2   302 114 HOH HOH B . 
L 4 HOH 3   303 331 HOH HOH B . 
L 4 HOH 4   304 276 HOH HOH B . 
L 4 HOH 5   305 234 HOH HOH B . 
L 4 HOH 6   306 223 HOH HOH B . 
L 4 HOH 7   307 259 HOH HOH B . 
L 4 HOH 8   308 15  HOH HOH B . 
L 4 HOH 9   309 154 HOH HOH B . 
L 4 HOH 10  310 261 HOH HOH B . 
L 4 HOH 11  311 328 HOH HOH B . 
L 4 HOH 12  312 333 HOH HOH B . 
L 4 HOH 13  313 10  HOH HOH B . 
L 4 HOH 14  314 204 HOH HOH B . 
L 4 HOH 15  315 366 HOH HOH B . 
L 4 HOH 16  316 95  HOH HOH B . 
L 4 HOH 17  317 340 HOH HOH B . 
L 4 HOH 18  318 66  HOH HOH B . 
L 4 HOH 19  319 19  HOH HOH B . 
L 4 HOH 20  320 40  HOH HOH B . 
L 4 HOH 21  321 294 HOH HOH B . 
L 4 HOH 22  322 367 HOH HOH B . 
L 4 HOH 23  323 316 HOH HOH B . 
L 4 HOH 24  324 298 HOH HOH B . 
L 4 HOH 25  325 210 HOH HOH B . 
L 4 HOH 26  326 110 HOH HOH B . 
L 4 HOH 27  327 188 HOH HOH B . 
L 4 HOH 28  328 5   HOH HOH B . 
L 4 HOH 29  329 37  HOH HOH B . 
L 4 HOH 30  330 253 HOH HOH B . 
L 4 HOH 31  331 25  HOH HOH B . 
L 4 HOH 32  332 119 HOH HOH B . 
L 4 HOH 33  333 246 HOH HOH B . 
L 4 HOH 34  334 94  HOH HOH B . 
L 4 HOH 35  335 2   HOH HOH B . 
L 4 HOH 36  336 297 HOH HOH B . 
L 4 HOH 37  337 61  HOH HOH B . 
L 4 HOH 38  338 161 HOH HOH B . 
L 4 HOH 39  339 69  HOH HOH B . 
L 4 HOH 40  340 86  HOH HOH B . 
L 4 HOH 41  341 32  HOH HOH B . 
L 4 HOH 42  342 176 HOH HOH B . 
L 4 HOH 43  343 76  HOH HOH B . 
L 4 HOH 44  344 116 HOH HOH B . 
L 4 HOH 45  345 112 HOH HOH B . 
L 4 HOH 46  346 6   HOH HOH B . 
L 4 HOH 47  347 59  HOH HOH B . 
L 4 HOH 48  348 121 HOH HOH B . 
L 4 HOH 49  349 174 HOH HOH B . 
L 4 HOH 50  350 277 HOH HOH B . 
L 4 HOH 51  351 147 HOH HOH B . 
L 4 HOH 52  352 45  HOH HOH B . 
L 4 HOH 53  353 202 HOH HOH B . 
L 4 HOH 54  354 365 HOH HOH B . 
L 4 HOH 55  355 111 HOH HOH B . 
L 4 HOH 56  356 117 HOH HOH B . 
L 4 HOH 57  357 89  HOH HOH B . 
L 4 HOH 58  358 79  HOH HOH B . 
L 4 HOH 59  359 144 HOH HOH B . 
L 4 HOH 60  360 80  HOH HOH B . 
L 4 HOH 61  361 125 HOH HOH B . 
L 4 HOH 62  362 20  HOH HOH B . 
L 4 HOH 63  363 182 HOH HOH B . 
L 4 HOH 64  364 71  HOH HOH B . 
L 4 HOH 65  365 24  HOH HOH B . 
L 4 HOH 66  366 379 HOH HOH B . 
L 4 HOH 67  367 129 HOH HOH B . 
L 4 HOH 68  368 320 HOH HOH B . 
L 4 HOH 69  369 12  HOH HOH B . 
L 4 HOH 70  370 62  HOH HOH B . 
L 4 HOH 71  371 38  HOH HOH B . 
L 4 HOH 72  372 67  HOH HOH B . 
L 4 HOH 73  373 151 HOH HOH B . 
L 4 HOH 74  374 248 HOH HOH B . 
L 4 HOH 75  375 229 HOH HOH B . 
L 4 HOH 76  376 27  HOH HOH B . 
L 4 HOH 77  377 190 HOH HOH B . 
L 4 HOH 78  378 163 HOH HOH B . 
L 4 HOH 79  379 264 HOH HOH B . 
L 4 HOH 80  380 304 HOH HOH B . 
L 4 HOH 81  381 42  HOH HOH B . 
L 4 HOH 82  382 28  HOH HOH B . 
L 4 HOH 83  383 64  HOH HOH B . 
L 4 HOH 84  384 168 HOH HOH B . 
L 4 HOH 85  385 311 HOH HOH B . 
L 4 HOH 86  386 322 HOH HOH B . 
L 4 HOH 87  387 136 HOH HOH B . 
L 4 HOH 88  388 330 HOH HOH B . 
L 4 HOH 89  389 260 HOH HOH B . 
L 4 HOH 90  390 373 HOH HOH B . 
L 4 HOH 91  391 368 HOH HOH B . 
L 4 HOH 92  392 73  HOH HOH B . 
L 4 HOH 93  393 85  HOH HOH B . 
L 4 HOH 94  394 93  HOH HOH B . 
L 4 HOH 95  395 98  HOH HOH B . 
L 4 HOH 96  396 251 HOH HOH B . 
L 4 HOH 97  397 162 HOH HOH B . 
L 4 HOH 98  398 180 HOH HOH B . 
L 4 HOH 99  399 53  HOH HOH B . 
L 4 HOH 100 400 47  HOH HOH B . 
L 4 HOH 101 401 127 HOH HOH B . 
L 4 HOH 102 402 247 HOH HOH B . 
L 4 HOH 103 403 361 HOH HOH B . 
L 4 HOH 104 404 183 HOH HOH B . 
L 4 HOH 105 405 244 HOH HOH B . 
L 4 HOH 106 406 72  HOH HOH B . 
L 4 HOH 107 407 17  HOH HOH B . 
L 4 HOH 108 408 54  HOH HOH B . 
L 4 HOH 109 409 224 HOH HOH B . 
L 4 HOH 110 410 285 HOH HOH B . 
L 4 HOH 111 411 358 HOH HOH B . 
L 4 HOH 112 412 299 HOH HOH B . 
L 4 HOH 113 413 82  HOH HOH B . 
L 4 HOH 114 414 230 HOH HOH B . 
L 4 HOH 115 415 49  HOH HOH B . 
L 4 HOH 116 416 279 HOH HOH B . 
L 4 HOH 117 417 242 HOH HOH B . 
L 4 HOH 118 418 342 HOH HOH B . 
L 4 HOH 119 419 282 HOH HOH B . 
L 4 HOH 120 420 207 HOH HOH B . 
L 4 HOH 121 421 138 HOH HOH B . 
L 4 HOH 122 422 332 HOH HOH B . 
L 4 HOH 123 423 52  HOH HOH B . 
L 4 HOH 124 424 352 HOH HOH B . 
L 4 HOH 125 425 199 HOH HOH B . 
L 4 HOH 126 426 237 HOH HOH B . 
L 4 HOH 127 427 240 HOH HOH B . 
L 4 HOH 128 428 187 HOH HOH B . 
L 4 HOH 129 429 155 HOH HOH B . 
L 4 HOH 130 430 236 HOH HOH B . 
L 4 HOH 131 431 150 HOH HOH B . 
L 4 HOH 132 432 265 HOH HOH B . 
L 4 HOH 133 433 309 HOH HOH B . 
L 4 HOH 134 434 336 HOH HOH B . 
L 4 HOH 135 435 158 HOH HOH B . 
L 4 HOH 136 436 156 HOH HOH B . 
L 4 HOH 137 437 197 HOH HOH B . 
L 4 HOH 138 438 143 HOH HOH B . 
L 4 HOH 139 439 51  HOH HOH B . 
L 4 HOH 140 440 172 HOH HOH B . 
L 4 HOH 141 441 123 HOH HOH B . 
L 4 HOH 142 442 271 HOH HOH B . 
L 4 HOH 143 443 337 HOH HOH B . 
L 4 HOH 144 444 334 HOH HOH B . 
L 4 HOH 145 445 118 HOH HOH B . 
L 4 HOH 146 446 218 HOH HOH B . 
L 4 HOH 147 447 281 HOH HOH B . 
L 4 HOH 148 448 268 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  ? CA  ? A SER 1  CA  
3  1 Y 0 A SER 1  ? CB  ? A SER 1  CB  
4  1 Y 0 A SER 1  ? OG  ? A SER 1  OG  
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 SER 1  ? N   ? B SER 1  N   
11 1 Y 0 B SER 1  ? CA  ? B SER 1  CA  
12 1 Y 0 B SER 1  ? CB  ? B SER 1  CB  
13 1 Y 0 B SER 1  ? OG  ? B SER 1  OG  
14 1 Y 0 B THR 89 ? CA  ? B THR 89 CA  
15 1 Y 0 B THR 89 ? C   ? B THR 89 C   
16 1 Y 0 B THR 89 ? O   ? B THR 89 O   
17 1 Y 0 B THR 89 ? CB  ? B THR 89 CB  
18 1 Y 0 B THR 89 ? OG1 ? B THR 89 OG1 
19 1 Y 0 B THR 89 ? CG2 ? B THR 89 CG2 
# 
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  ? ? ? 1.18.2_3874 1 
? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot    ? ? ? .           2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .           3 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           4 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .           5 
# 
_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                     9HBD 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     82.991 
_cell.length_a_esd                 ? 
_cell.length_b                     82.991 
_cell.length_b_esd                 ? 
_cell.length_c                     157.427 
_cell.length_c_esd                 ? 
_cell.volume                       939013.522 
_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                         9HBD 
_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                   9HBD 
_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             2.18 
_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, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              4.0 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '18 % PEG 3350, 0.1 M sodium citrate pH 4.0' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-06-04 
_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                          12.96 
_reflns.entry_id                                       9HBD 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.09 
_reflns.d_resolution_low                               52.48 
_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                                     82159 
_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                           93.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                16.5 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          16.7 
_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                              0.073 
_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                                    1.09 
_reflns_shell.d_res_low                                     1.11 
_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                             2190 
_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                               4.2 
_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                                  0.452 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.585 
_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                               19.21 
_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                                 9HBD 
_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                            1.09 
_refine.ls_d_res_low                             52.48 
_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                     81958 
_refine.ls_number_reflns_R_free                  4081 
_refine.ls_number_reflns_R_work                  77877 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    93.71 
_refine.ls_percent_reflns_R_free                 4.98 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1848 
_refine.ls_R_factor_R_free                       0.1994 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1841 
_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                          1.34 
_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             1.1100 
_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                 22.4394 
_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                            0.1123 
_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                       1.09 
_refine_hist.d_res_low                        52.48 
_refine_hist.number_atoms_solvent             324 
_refine_hist.number_atoms_total               2034 
_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         336 
_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' ? 0.0040 ? 1776 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.8600 ? 2522 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0780 ? 228  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0058 ? 264  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 7.1821 ? 436  ? 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' 1.09 1.10  . . 61  1267 44.99  . . . . 0.3194 . . . . . . . . . . . 0.4195 
'X-RAY DIFFRACTION' 1.10 1.11  . . 85  1626 57.01  . . . . 0.2972 . . . . . . . . . . . 0.3090 
'X-RAY DIFFRACTION' 1.11 1.13  . . 109 1917 66.93  . . . . 0.3042 . . . . . . . . . . . 0.3136 
'X-RAY DIFFRACTION' 1.13 1.14  . . 123 2145 76.42  . . . . 0.2840 . . . . . . . . . . . 0.3196 
'X-RAY DIFFRACTION' 1.14 1.16  . . 135 2398 85.52  . . . . 0.2807 . . . . . . . . . . . 0.2937 
'X-RAY DIFFRACTION' 1.16 1.17  . . 120 2706 94.04  . . . . 0.2557 . . . . . . . . . . . 0.2736 
'X-RAY DIFFRACTION' 1.17 1.19  . . 147 2770 97.43  . . . . 0.2425 . . . . . . . . . . . 0.3098 
'X-RAY DIFFRACTION' 1.19 1.21  . . 158 2790 98.30  . . . . 0.2369 . . . . . . . . . . . 0.3026 
'X-RAY DIFFRACTION' 1.21 1.23  . . 163 2783 99.19  . . . . 0.2356 . . . . . . . . . . . 0.2204 
'X-RAY DIFFRACTION' 1.23 1.25  . . 163 2851 99.97  . . . . 0.2231 . . . . . . . . . . . 0.2418 
'X-RAY DIFFRACTION' 1.25 1.27  . . 144 2842 99.93  . . . . 0.2162 . . . . . . . . . . . 0.2354 
'X-RAY DIFFRACTION' 1.28 1.30  . . 124 2877 99.97  . . . . 0.2176 . . . . . . . . . . . 0.2243 
'X-RAY DIFFRACTION' 1.30 1.33  . . 147 2819 99.83  . . . . 0.2079 . . . . . . . . . . . 0.2203 
'X-RAY DIFFRACTION' 1.33 1.35  . . 138 2865 99.83  . . . . 0.1980 . . . . . . . . . . . 0.2222 
'X-RAY DIFFRACTION' 1.35 1.39  . . 142 2875 99.90  . . . . 0.1966 . . . . . . . . . . . 0.2094 
'X-RAY DIFFRACTION' 1.39 1.42  . . 142 2888 99.97  . . . . 0.1952 . . . . . . . . . . . 0.2020 
'X-RAY DIFFRACTION' 1.42 1.46  . . 146 2843 99.97  . . . . 0.2002 . . . . . . . . . . . 0.2025 
'X-RAY DIFFRACTION' 1.46 1.50  . . 151 2853 100.00 . . . . 0.1992 . . . . . . . . . . . 0.1910 
'X-RAY DIFFRACTION' 1.50 1.55  . . 152 2838 99.97  . . . . 0.1871 . . . . . . . . . . . 0.2131 
'X-RAY DIFFRACTION' 1.55 1.61  . . 151 2862 99.97  . . . . 0.1924 . . . . . . . . . . . 0.1987 
'X-RAY DIFFRACTION' 1.61 1.67  . . 144 2877 99.97  . . . . 0.1818 . . . . . . . . . . . 0.1815 
'X-RAY DIFFRACTION' 1.67 1.75  . . 145 2866 99.97  . . . . 0.1841 . . . . . . . . . . . 0.2170 
'X-RAY DIFFRACTION' 1.75 1.84  . . 159 2866 99.97  . . . . 0.1935 . . . . . . . . . . . 0.1964 
'X-RAY DIFFRACTION' 1.84 1.95  . . 151 2883 99.97  . . . . 0.1835 . . . . . . . . . . . 0.1981 
'X-RAY DIFFRACTION' 1.95 2.10  . . 141 2899 99.87  . . . . 0.1797 . . . . . . . . . . . 0.2055 
'X-RAY DIFFRACTION' 2.11 2.32  . . 159 2891 99.97  . . . . 0.1799 . . . . . . . . . . . 0.1882 
'X-RAY DIFFRACTION' 2.32 2.65  . . 165 2879 100.00 . . . . 0.1887 . . . . . . . . . . . 0.2303 
'X-RAY DIFFRACTION' 2.65 3.34  . . 155 2936 99.94  . . . . 0.1754 . . . . . . . . . . . 0.1809 
'X-RAY DIFFRACTION' 3.34 52.48 . . 161 2965 97.44  . . . . 0.1404 . . . . . . . . . . . 0.1538 
# 
_struct.entry_id                     9HBD 
_struct.title                        'The RSL - phosphonato-calix[6]arene cocrystal structure, pH 4.0' 
_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        9HBD 
_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 2 ? 
H N N 2 ? 
I N N 3 ? 
J N N 3 ? 
K N N 4 ? 
L N N 4 ? 
# 
_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 9HBD A 1 ? 90 ? A0A0S4TLR1 2 ? 91 ? 1 90 
2 1 9HBD 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,K 
2 1 B,G,H,I,J,L 
# 
_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 -2.13 
2 VAL 13 B . ? VAL 13 B PRO 14 B ? PRO 14 B 1 -3.72 
# 
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 TYR A 37 ? PRO A 44 ? TYR A 37 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 TYR B 37 ? PRO B 44 ? TYR B 37 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 CYS A 30 ? N CYS A 30 O TYR A 37 ? O TYR A 37 
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 ILE B 26 ? N ILE B 26 O GLU B 43 ? O GLU B 43 
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                   9HBD 
_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 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASN 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     79 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -144.45 
_pdbx_validate_torsion.psi             53.62 
# 
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 325 ? K HOH . 
2 1 A HOH 345 ? K HOH . 
3 1 A HOH 350 ? K HOH . 
4 1 A HOH 376 ? K HOH . 
5 1 B HOH 408 ? L HOH . 
6 1 B HOH 423 ? L 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     
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 376 ? .    6.19 
2 1 O ? B HOH 448 ? 6.51 .    
# 
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 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 
HIS N    N N N 275 
HIS CA   C N S 276 
HIS C    C N N 277 
HIS O    O N N 278 
HIS CB   C N N 279 
HIS CG   C Y N 280 
HIS ND1  N Y N 281 
HIS CD2  C Y N 282 
HIS CE1  C Y N 283 
HIS NE2  N Y N 284 
HIS OXT  O N N 285 
HIS H    H N N 286 
HIS H2   H N N 287 
HIS HA   H N N 288 
HIS HB2  H N N 289 
HIS HB3  H N N 290 
HIS HD1  H N N 291 
HIS HD2  H N N 292 
HIS HE1  H N N 293 
HIS HE2  H N N 294 
HIS HXT  H N N 295 
HOH O    O N N 296 
HOH H1   H N N 297 
HOH H2   H N N 298 
ILE N    N N N 299 
ILE CA   C N S 300 
ILE C    C N N 301 
ILE O    O N N 302 
ILE CB   C N S 303 
ILE CG1  C N N 304 
ILE CG2  C N N 305 
ILE CD1  C N N 306 
ILE OXT  O N N 307 
ILE H    H N N 308 
ILE H2   H N N 309 
ILE HA   H N N 310 
ILE HB   H N N 311 
ILE HG12 H N N 312 
ILE HG13 H N N 313 
ILE HG21 H N N 314 
ILE HG22 H N N 315 
ILE HG23 H N N 316 
ILE HD11 H N N 317 
ILE HD12 H N N 318 
ILE HD13 H N N 319 
ILE HXT  H N N 320 
LEU N    N N N 321 
LEU CA   C N S 322 
LEU C    C N N 323 
LEU O    O N N 324 
LEU CB   C N N 325 
LEU CG   C N N 326 
LEU CD1  C N N 327 
LEU CD2  C N N 328 
LEU OXT  O N N 329 
LEU H    H N N 330 
LEU H2   H N N 331 
LEU HA   H N N 332 
LEU HB2  H N N 333 
LEU HB3  H N N 334 
LEU HG   H N N 335 
LEU HD11 H N N 336 
LEU HD12 H N N 337 
LEU HD13 H N N 338 
LEU HD21 H N N 339 
LEU HD22 H N N 340 
LEU HD23 H N N 341 
LEU HXT  H N N 342 
LYS N    N N N 343 
LYS CA   C N S 344 
LYS C    C N N 345 
LYS O    O N N 346 
LYS CB   C N N 347 
LYS CG   C N N 348 
LYS CD   C N N 349 
LYS CE   C N N 350 
LYS NZ   N N N 351 
LYS OXT  O N N 352 
LYS H    H N N 353 
LYS H2   H N N 354 
LYS HA   H N N 355 
LYS HB2  H N N 356 
LYS HB3  H N N 357 
LYS HG2  H N N 358 
LYS HG3  H N N 359 
LYS HD2  H N N 360 
LYS HD3  H N N 361 
LYS HE2  H N N 362 
LYS HE3  H N N 363 
LYS HZ1  H N N 364 
LYS HZ2  H N N 365 
LYS HZ3  H N N 366 
LYS HXT  H N N 367 
PHE N    N N N 368 
PHE CA   C N S 369 
PHE C    C N N 370 
PHE O    O N N 371 
PHE CB   C N N 372 
PHE CG   C Y N 373 
PHE CD1  C Y N 374 
PHE CD2  C Y N 375 
PHE CE1  C Y N 376 
PHE CE2  C Y N 377 
PHE CZ   C Y N 378 
PHE OXT  O N N 379 
PHE H    H N N 380 
PHE H2   H N N 381 
PHE HA   H N N 382 
PHE HB2  H N N 383 
PHE HB3  H N N 384 
PHE HD1  H N N 385 
PHE HD2  H N N 386 
PHE HE1  H N N 387 
PHE HE2  H N N 388 
PHE HZ   H N N 389 
PHE HXT  H N N 390 
PRO N    N N N 391 
PRO CA   C N S 392 
PRO C    C N N 393 
PRO O    O N N 394 
PRO CB   C N N 395 
PRO CG   C N N 396 
PRO CD   C N N 397 
PRO OXT  O N N 398 
PRO H    H N N 399 
PRO HA   H N N 400 
PRO HB2  H N N 401 
PRO HB3  H N N 402 
PRO HG2  H N N 403 
PRO HG3  H N N 404 
PRO HD2  H N N 405 
PRO HD3  H N N 406 
PRO HXT  H N N 407 
SER N    N N N 408 
SER CA   C N S 409 
SER C    C N N 410 
SER O    O N N 411 
SER CB   C N N 412 
SER OG   O N N 413 
SER OXT  O N N 414 
SER H    H N N 415 
SER H2   H N N 416 
SER HA   H N N 417 
SER HB2  H N N 418 
SER HB3  H N N 419 
SER HG   H N N 420 
SER HXT  H N N 421 
THR N    N N N 422 
THR CA   C N S 423 
THR C    C N N 424 
THR O    O N N 425 
THR CB   C N R 426 
THR OG1  O N N 427 
THR CG2  C N N 428 
THR OXT  O N N 429 
THR H    H N N 430 
THR H2   H N N 431 
THR HA   H N N 432 
THR HB   H N N 433 
THR HG1  H N N 434 
THR HG21 H N N 435 
THR HG22 H N N 436 
THR HG23 H N N 437 
THR HXT  H N N 438 
TRP N    N N N 439 
TRP CA   C N S 440 
TRP C    C N N 441 
TRP O    O N N 442 
TRP CB   C N N 443 
TRP CG   C Y N 444 
TRP CD1  C Y N 445 
TRP CD2  C Y N 446 
TRP NE1  N Y N 447 
TRP CE2  C Y N 448 
TRP CE3  C Y N 449 
TRP CZ2  C Y N 450 
TRP CZ3  C Y N 451 
TRP CH2  C Y N 452 
TRP OXT  O N N 453 
TRP H    H N N 454 
TRP H2   H N N 455 
TRP HA   H N N 456 
TRP HB2  H N N 457 
TRP HB3  H N N 458 
TRP HD1  H N N 459 
TRP HE1  H N N 460 
TRP HE3  H N N 461 
TRP HZ2  H N N 462 
TRP HZ3  H N N 463 
TRP HH2  H N N 464 
TRP HXT  H N N 465 
TYR N    N N N 466 
TYR CA   C N S 467 
TYR C    C N N 468 
TYR O    O N N 469 
TYR CB   C N N 470 
TYR CG   C Y N 471 
TYR CD1  C Y N 472 
TYR CD2  C Y N 473 
TYR CE1  C Y N 474 
TYR CE2  C Y N 475 
TYR CZ   C Y N 476 
TYR OH   O N N 477 
TYR OXT  O N N 478 
TYR H    H N N 479 
TYR H2   H N N 480 
TYR HA   H N N 481 
TYR HB2  H N N 482 
TYR HB3  H N N 483 
TYR HD1  H N N 484 
TYR HD2  H N N 485 
TYR HE1  H N N 486 
TYR HE2  H N N 487 
TYR HH   H N N 488 
TYR HXT  H N N 489 
VAL N    N N N 490 
VAL CA   C N S 491 
VAL C    C N N 492 
VAL O    O N N 493 
VAL CB   C N N 494 
VAL CG1  C N N 495 
VAL CG2  C N N 496 
VAL OXT  O N N 497 
VAL H    H N N 498 
VAL H2   H N N 499 
VAL HA   H N N 500 
VAL HB   H N N 501 
VAL HG11 H N N 502 
VAL HG12 H N N 503 
VAL HG13 H N N 504 
VAL HG21 H N N 505 
VAL HG22 H N N 506 
VAL HG23 H N N 507 
VAL HXT  H N N 508 
# 
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 
HIS N   CA   sing N N 273 
HIS N   H    sing N N 274 
HIS N   H2   sing N N 275 
HIS CA  C    sing N N 276 
HIS CA  CB   sing N N 277 
HIS CA  HA   sing N N 278 
HIS C   O    doub N N 279 
HIS C   OXT  sing N N 280 
HIS CB  CG   sing N N 281 
HIS CB  HB2  sing N N 282 
HIS CB  HB3  sing N N 283 
HIS CG  ND1  sing Y N 284 
HIS CG  CD2  doub Y N 285 
HIS ND1 CE1  doub Y N 286 
HIS ND1 HD1  sing N N 287 
HIS CD2 NE2  sing Y N 288 
HIS CD2 HD2  sing N N 289 
HIS CE1 NE2  sing Y N 290 
HIS CE1 HE1  sing N N 291 
HIS NE2 HE2  sing N N 292 
HIS OXT HXT  sing N N 293 
HOH O   H1   sing N N 294 
HOH O   H2   sing N N 295 
ILE N   CA   sing N N 296 
ILE N   H    sing N N 297 
ILE N   H2   sing N N 298 
ILE CA  C    sing N N 299 
ILE CA  CB   sing N N 300 
ILE CA  HA   sing N N 301 
ILE C   O    doub N N 302 
ILE C   OXT  sing N N 303 
ILE CB  CG1  sing N N 304 
ILE CB  CG2  sing N N 305 
ILE CB  HB   sing N N 306 
ILE CG1 CD1  sing N N 307 
ILE CG1 HG12 sing N N 308 
ILE CG1 HG13 sing N N 309 
ILE CG2 HG21 sing N N 310 
ILE CG2 HG22 sing N N 311 
ILE CG2 HG23 sing N N 312 
ILE CD1 HD11 sing N N 313 
ILE CD1 HD12 sing N N 314 
ILE CD1 HD13 sing N N 315 
ILE OXT HXT  sing N N 316 
LEU N   CA   sing N N 317 
LEU N   H    sing N N 318 
LEU N   H2   sing N N 319 
LEU CA  C    sing N N 320 
LEU CA  CB   sing N N 321 
LEU CA  HA   sing N N 322 
LEU C   O    doub N N 323 
LEU C   OXT  sing N N 324 
LEU CB  CG   sing N N 325 
LEU CB  HB2  sing N N 326 
LEU CB  HB3  sing N N 327 
LEU CG  CD1  sing N N 328 
LEU CG  CD2  sing N N 329 
LEU CG  HG   sing N N 330 
LEU CD1 HD11 sing N N 331 
LEU CD1 HD12 sing N N 332 
LEU CD1 HD13 sing N N 333 
LEU CD2 HD21 sing N N 334 
LEU CD2 HD22 sing N N 335 
LEU CD2 HD23 sing N N 336 
LEU OXT HXT  sing N N 337 
LYS N   CA   sing N N 338 
LYS N   H    sing N N 339 
LYS N   H2   sing N N 340 
LYS CA  C    sing N N 341 
LYS CA  CB   sing N N 342 
LYS CA  HA   sing N N 343 
LYS C   O    doub N N 344 
LYS C   OXT  sing N N 345 
LYS CB  CG   sing N N 346 
LYS CB  HB2  sing N N 347 
LYS CB  HB3  sing N N 348 
LYS CG  CD   sing N N 349 
LYS CG  HG2  sing N N 350 
LYS CG  HG3  sing N N 351 
LYS CD  CE   sing N N 352 
LYS CD  HD2  sing N N 353 
LYS CD  HD3  sing N N 354 
LYS CE  NZ   sing N N 355 
LYS CE  HE2  sing N N 356 
LYS CE  HE3  sing N N 357 
LYS NZ  HZ1  sing N N 358 
LYS NZ  HZ2  sing N N 359 
LYS NZ  HZ3  sing N N 360 
LYS OXT HXT  sing N N 361 
PHE N   CA   sing N N 362 
PHE N   H    sing N N 363 
PHE N   H2   sing N N 364 
PHE CA  C    sing N N 365 
PHE CA  CB   sing N N 366 
PHE CA  HA   sing N N 367 
PHE C   O    doub N N 368 
PHE C   OXT  sing N N 369 
PHE CB  CG   sing N N 370 
PHE CB  HB2  sing N N 371 
PHE CB  HB3  sing N N 372 
PHE CG  CD1  doub Y N 373 
PHE CG  CD2  sing Y N 374 
PHE CD1 CE1  sing Y N 375 
PHE CD1 HD1  sing N N 376 
PHE CD2 CE2  doub Y N 377 
PHE CD2 HD2  sing N N 378 
PHE CE1 CZ   doub Y N 379 
PHE CE1 HE1  sing N N 380 
PHE CE2 CZ   sing Y N 381 
PHE CE2 HE2  sing N N 382 
PHE CZ  HZ   sing N N 383 
PHE OXT HXT  sing N N 384 
PRO N   CA   sing N N 385 
PRO N   CD   sing N N 386 
PRO N   H    sing N N 387 
PRO CA  C    sing N N 388 
PRO CA  CB   sing N N 389 
PRO CA  HA   sing N N 390 
PRO C   O    doub N N 391 
PRO C   OXT  sing N N 392 
PRO CB  CG   sing N N 393 
PRO CB  HB2  sing N N 394 
PRO CB  HB3  sing N N 395 
PRO CG  CD   sing N N 396 
PRO CG  HG2  sing N N 397 
PRO CG  HG3  sing N N 398 
PRO CD  HD2  sing N N 399 
PRO CD  HD3  sing N N 400 
PRO OXT HXT  sing N N 401 
SER N   CA   sing N N 402 
SER N   H    sing N N 403 
SER N   H2   sing N N 404 
SER CA  C    sing N N 405 
SER CA  CB   sing N N 406 
SER CA  HA   sing N N 407 
SER C   O    doub N N 408 
SER C   OXT  sing N N 409 
SER CB  OG   sing N N 410 
SER CB  HB2  sing N N 411 
SER CB  HB3  sing N N 412 
SER OG  HG   sing N N 413 
SER OXT HXT  sing N N 414 
THR N   CA   sing N N 415 
THR N   H    sing N N 416 
THR N   H2   sing N N 417 
THR CA  C    sing N N 418 
THR CA  CB   sing N N 419 
THR CA  HA   sing N N 420 
THR C   O    doub N N 421 
THR C   OXT  sing N N 422 
THR CB  OG1  sing N N 423 
THR CB  CG2  sing N N 424 
THR CB  HB   sing N N 425 
THR OG1 HG1  sing N N 426 
THR CG2 HG21 sing N N 427 
THR CG2 HG22 sing N N 428 
THR CG2 HG23 sing N N 429 
THR OXT HXT  sing N N 430 
TRP N   CA   sing N N 431 
TRP N   H    sing N N 432 
TRP N   H2   sing N N 433 
TRP CA  C    sing N N 434 
TRP CA  CB   sing N N 435 
TRP CA  HA   sing N N 436 
TRP C   O    doub N N 437 
TRP C   OXT  sing N N 438 
TRP CB  CG   sing N N 439 
TRP CB  HB2  sing N N 440 
TRP CB  HB3  sing N N 441 
TRP CG  CD1  doub Y N 442 
TRP CG  CD2  sing Y N 443 
TRP CD1 NE1  sing Y N 444 
TRP CD1 HD1  sing N N 445 
TRP CD2 CE2  doub Y N 446 
TRP CD2 CE3  sing Y N 447 
TRP NE1 CE2  sing Y N 448 
TRP NE1 HE1  sing N N 449 
TRP CE2 CZ2  sing Y N 450 
TRP CE3 CZ3  doub Y N 451 
TRP CE3 HE3  sing N N 452 
TRP CZ2 CH2  doub Y N 453 
TRP CZ2 HZ2  sing N N 454 
TRP CZ3 CH2  sing Y N 455 
TRP CZ3 HZ3  sing N N 456 
TRP CH2 HH2  sing N N 457 
TRP OXT HXT  sing N N 458 
TYR N   CA   sing N N 459 
TYR N   H    sing N N 460 
TYR N   H2   sing N N 461 
TYR CA  C    sing N N 462 
TYR CA  CB   sing N N 463 
TYR CA  HA   sing N N 464 
TYR C   O    doub N N 465 
TYR C   OXT  sing N N 466 
TYR CB  CG   sing N N 467 
TYR CB  HB2  sing N N 468 
TYR CB  HB3  sing N N 469 
TYR CG  CD1  doub Y N 470 
TYR CG  CD2  sing Y N 471 
TYR CD1 CE1  sing Y N 472 
TYR CD1 HD1  sing N N 473 
TYR CD2 CE2  doub Y N 474 
TYR CD2 HD2  sing N N 475 
TYR CE1 CZ   doub Y N 476 
TYR CE1 HE1  sing N N 477 
TYR CE2 CZ   sing Y N 478 
TYR CE2 HE2  sing N N 479 
TYR CZ  OH   sing N N 480 
TYR OH  HH   sing N N 481 
TYR OXT HXT  sing N N 482 
VAL N   CA   sing N N 483 
VAL N   H    sing N N 484 
VAL N   H2   sing N N 485 
VAL CA  C    sing N N 486 
VAL CA  CB   sing N N 487 
VAL CA  HA   sing N N 488 
VAL C   O    doub N N 489 
VAL C   OXT  sing N N 490 
VAL CB  CG1  sing N N 491 
VAL CB  CG2  sing N N 492 
VAL CB  HB   sing N N 493 
VAL CG1 HG11 sing N N 494 
VAL CG1 HG12 sing N N 495 
VAL CG1 HG13 sing N N 496 
VAL CG2 HG21 sing N N 497 
VAL CG2 HG22 sing N N 498 
VAL CG2 HG23 sing N N 499 
VAL OXT HXT  sing N N 500 
# 
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                    9HBD 
_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]   0.012049 
_atom_sites.fract_transf_matrix[1][2]   0.006957 
_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]   0.013914 
_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]   0.006352 
_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  ? 6.43617   4.79531  39.37580  0.000 46.29550  ? 1   SER A N   1 
ATOM   2    C CA  . SER A 1 1  ? 7.37054   3.67722  39.32259  0.000 45.79575  ? 1   SER A CA  1 
ATOM   3    C C   . SER A 1 1  ? 7.96853   3.52979  37.92829  1.000 49.24794  ? 1   SER A C   1 
ATOM   4    O O   . SER A 1 1  ? 8.87756   4.27215  37.55033  1.000 47.47706  ? 1   SER A O   1 
ATOM   5    C CB  . SER A 1 1  ? 6.67580   2.37813  39.73406  0.000 44.74637  ? 1   SER A CB  1 
ATOM   6    O OG  . SER A 1 1  ? 6.24987   2.43201  41.08411  0.000 54.64478  ? 1   SER A OG  1 
ATOM   7    N N   . SER A 1 2  ? 7.45381   2.56720  37.16589  1.000 42.50090  ? 2   SER A N   1 
ATOM   8    C CA  . SER A 1 2  ? 7.93650   2.31540  35.81535  1.000 29.27435  ? 2   SER A CA  1 
ATOM   9    C C   . SER A 1 2  ? 7.16380   3.16129  34.81180  1.000 21.94484  ? 2   SER A C   1 
ATOM   10   O O   . SER A 1 2  ? 5.92817   3.18352  34.81636  1.000 23.45350  ? 2   SER A O   1 
ATOM   11   C CB  . SER A 1 2  ? 7.82128   0.83417  35.45266  1.000 36.42054  ? 2   SER A CB  1 
ATOM   12   O OG  . SER A 1 2  ? 8.73994   0.05408  36.20128  1.000 42.53497  ? 2   SER A OG  1 
ATOM   13   N N   . VAL A 1 3  ? 7.90501   3.85107  33.94839  1.000 16.68971  ? 3   VAL A N   1 
ATOM   14   C CA  . VAL A 1 3  ? 7.26821   4.64190  32.91557  1.000 14.17181  ? 3   VAL A CA  1 
ATOM   15   C C   . VAL A 1 3  ? 6.48298   3.73025  31.96960  1.000 13.37811  ? 3   VAL A C   1 
ATOM   16   O O   . VAL A 1 3  ? 6.66959   2.50891  31.92905  1.000 15.82881  ? 3   VAL A O   1 
ATOM   17   C CB  . VAL A 1 3  ? 8.31054   5.48631  32.16588  1.000 15.48063  ? 3   VAL A CB  1 
ATOM   18   C CG1 . VAL A 1 3  ? 9.02867   6.41967  33.14093  1.000 16.88778  ? 3   VAL A CG1 1 
ATOM   19   C CG2 . VAL A 1 3  ? 9.31204   4.59056  31.44645  1.000 15.39384  ? 3   VAL A CG2 1 
ATOM   20   N N   . GLN A 1 4  ? 5.56739   4.33854  31.22737  1.000 12.62459  ? 4   GLN A N   1 
ATOM   21   C CA  . GLN A 1 4  ? 4.72002   3.61257  30.29063  1.000 12.13883  ? 4   GLN A CA  1 
ATOM   22   C C   . GLN A 1 4  ? 4.85673   4.25744  28.91385  1.000 12.80968  ? 4   GLN A C   1 
ATOM   23   O O   . GLN A 1 4  ? 4.84874   5.48965  28.79612  1.000 13.01673  ? 4   GLN A O   1 
ATOM   24   C CB  . GLN A 1 4  ? 3.26688   3.61780  30.78836  1.000 13.47280  ? 4   GLN A CB  1 
ATOM   25   C CG  . GLN A 1 4  ? 2.28029   2.83259  29.93106  1.000 19.15556  ? 4   GLN A CG  1 
ATOM   26   C CD  . GLN A 1 4  ? 1.53086   3.70212  28.93748  1.000 19.19379  ? 4   GLN A CD  1 
ATOM   27   O OE1 . GLN A 1 4  ? 1.31056   4.88721  29.18161  1.000 18.43787  ? 4   GLN A OE1 1 
ATOM   28   N NE2 . GLN A 1 4  ? 1.16827   3.12598  27.79586  1.000 20.64542  ? 4   GLN A NE2 1 
ATOM   29   N N   . THR A 1 5  ? 5.01948   3.43666  27.87255  1.000 11.42664  ? 5   THR A N   1 
ATOM   30   C CA  . THR A 1 5  ? 5.27979   3.96615  26.53973  1.000 10.37211  ? 5   THR A CA  1 
ATOM   31   C C   . THR A 1 5  ? 4.24246   3.50222  25.52490  1.000 10.57410  ? 5   THR A C   1 
ATOM   32   O O   . THR A 1 5  ? 3.51722   2.51854  25.71819  1.000 10.54992  ? 5   THR A O   1 
ATOM   33   C CB  . THR A 1 5  ? 6.69548   3.64273  26.02226  1.000 11.01249  ? 5   THR A CB  1 
ATOM   34   O OG1 . THR A 1 5  ? 6.78079   2.25336  25.67299  1.000 11.61185  ? 5   THR A OG1 1 
ATOM   35   C CG2 . THR A 1 5  ? 7.77475   4.03432  27.02926  1.000 12.98943  ? 5   THR A CG2 1 
ATOM   36   N N   . ALA A 1 6  ? 4.21488   4.23274  24.41752  1.000 9.77024   ? 6   ALA A N   1 
ATOM   37   C CA  . ALA A 1 6  ? 3.43441   3.88366  23.24208  1.000 9.36983   ? 6   ALA A CA  1 
ATOM   38   C C   . ALA A 1 6  ? 4.26295   4.28095  22.03636  1.000 10.11402  ? 6   ALA A C   1 
ATOM   39   O O   . ALA A 1 6  ? 5.01277   5.25629  22.09207  1.000 10.77381  ? 6   ALA A O   1 
ATOM   40   C CB  . ALA A 1 6  ? 2.10211   4.63225  23.22209  1.000 11.74072  ? 6   ALA A CB  1 
ATOM   41   N N   . ALA A 1 7  ? 4.14499   3.51766  20.94818  1.000 8.98447   ? 7   ALA A N   1 
ATOM   42   C CA  . ALA A 1 7  ? 4.98628   3.74656  19.77773  1.000 9.18485   ? 7   ALA A CA  1 
ATOM   43   C C   . ALA A 1 7  ? 4.16677   3.63669  18.49975  1.000 8.76984   ? 7   ALA A C   1 
ATOM   44   O O   . ALA A 1 7  ? 3.23667   2.82714  18.40907  1.000 9.57960   ? 7   ALA A O   1 
ATOM   45   C CB  . ALA A 1 7  ? 6.13214   2.72909  19.71978  1.000 10.73862  ? 7   ALA A CB  1 
ATOM   46   N N   . THR A 1 8  ? 4.53828   4.43712  17.50105  1.000 9.15819   ? 8   THR A N   1 
ATOM   47   C CA  . THR A 1 8  ? 3.96237   4.33808  16.17044  1.000 8.68882   ? 8   THR A CA  1 
ATOM   48   C C   . THR A 1 8  ? 5.07226   4.58489  15.16004  1.000 8.34887   ? 8   THR A C   1 
ATOM   49   O O   . THR A 1 8  ? 6.12493   5.14620  15.49288  1.000 9.93454   ? 8   THR A O   1 
ATOM   50   C CB  . THR A 1 8  ? 2.77853   5.30619  15.98446  1.000 8.90553   ? 8   THR A CB  1 
ATOM   51   O OG1 . THR A 1 8  ? 2.05639   4.96654  14.79498  1.000 10.48466  ? 8   THR A OG1 1 
ATOM   52   C CG2 . THR A 1 8  ? 3.23302   6.73327  15.88307  1.000 11.21574  ? 8   THR A CG2 1 
ATOM   53   N N   . SER A 1 9  ? 4.83609   4.17184  13.91559  1.000 8.80786   ? 9   SER A N   1 
ATOM   54   C CA  . SER A 1 9  ? 5.82486   4.37729  12.86793  1.000 8.58688   ? 9   SER A CA  1 
ATOM   55   C C   . SER A 1 9  ? 5.11142   4.46855  11.53471  1.000 8.82354   ? 9   SER A C   1 
ATOM   56   O O   . SER A 1 9  ? 3.96835   4.01945  11.39280  1.000 9.27951   ? 9   SER A O   1 
ATOM   57   C CB  . SER A 1 9  ? 6.85639   3.24943  12.83866  1.000 9.22426   ? 9   SER A CB  1 
ATOM   58   O OG  . SER A 1 9  ? 6.26195   1.97765  12.59091  1.000 9.48259   ? 9   SER A OG  1 
ATOM   59   N N   . TRP A 1 10 ? 5.80126   5.04965  10.55537  1.000 9.49917   ? 10  TRP A N   1 
ATOM   60   C CA  . TRP A 1 10 ? 5.23857   5.16180  9.21773   1.000 9.46824   ? 10  TRP A CA  1 
ATOM   61   C C   . TRP A 1 10 ? 6.34434   5.19657  8.17842   1.000 9.68651   ? 10  TRP A C   1 
ATOM   62   O O   . TRP A 1 10 ? 7.49303   5.55782  8.45326   1.000 10.39961  ? 10  TRP A O   1 
ATOM   63   C CB  . TRP A 1 10 ? 4.34005   6.39052  9.06245   1.000 10.01806  ? 10  TRP A CB  1 
ATOM   64   C CG  . TRP A 1 10 ? 4.98576   7.73267  9.25938   1.000 9.41055   ? 10  TRP A CG  1 
ATOM   65   C CD1 . TRP A 1 10 ? 5.51048   8.54773  8.29813   1.000 10.84666  ? 10  TRP A CD1 1 
ATOM   66   C CD2 . TRP A 1 10 ? 5.11546   8.44935  10.49335  1.000 11.22739  ? 10  TRP A CD2 1 
ATOM   67   N NE1 . TRP A 1 10 ? 5.96487   9.72061  8.85681   1.000 11.44505  ? 10  TRP A NE1 1 
ATOM   68   C CE2 . TRP A 1 10 ? 5.72536   9.68687  10.20249  1.000 10.79037  ? 10  TRP A CE2 1 
ATOM   69   C CE3 . TRP A 1 10 ? 4.75715   8.17107  11.81927  1.000 10.78529  ? 10  TRP A CE3 1 
ATOM   70   C CZ2 . TRP A 1 10 ? 6.01081   10.63231 11.19087  1.000 12.18800  ? 10  TRP A CZ2 1 
ATOM   71   C CZ3 . TRP A 1 10 ? 5.03718   9.12196  12.79817  1.000 11.58936  ? 10  TRP A CZ3 1 
ATOM   72   C CH2 . TRP A 1 10 ? 5.65885   10.33306 12.47653  1.000 12.08540  ? 10  TRP A CH2 1 
ATOM   73   N N   . GLY A 1 11 ? 5.96043   4.85065  6.95782   1.000 10.18189  ? 11  GLY A N   1 
ATOM   74   C CA  . GLY A 1 11 ? 6.88319   4.83874  5.85390   1.000 12.10514  ? 11  GLY A CA  1 
ATOM   75   C C   . GLY A 1 11 ? 7.84956   3.67364  5.94799   1.000 11.77102  ? 11  GLY A C   1 
ATOM   76   O O   . GLY A 1 11 ? 7.62564   2.67525  6.64271   1.000 13.98586  ? 11  GLY A O   1 
ATOM   77   N N   . THR A 1 12 ? 8.95329   3.82010  5.22335   1.000 12.57375  ? 12  THR A N   1 
ATOM   78   C CA  . THR A 1 12 ? 9.93958   2.76119  5.08433   1.000 13.12000  ? 12  THR A CA  1 
ATOM   79   C C   . THR A 1 12 ? 11.31474  3.13625  5.60420   1.000 11.33784  ? 12  THR A C   1 
ATOM   80   O O   . THR A 1 12 ? 12.14702  2.24095  5.76802   1.000 14.60772  ? 12  THR A O   1 
ATOM   81   C CB  . THR A 1 12 ? 10.09054  2.34507  3.61215   1.000 17.00006  ? 12  THR A CB  1 
ATOM   82   O OG1 . THR A 1 12 ? 10.34113  3.51161  2.82228   1.000 16.88573  ? 12  THR A OG1 1 
ATOM   83   C CG2 . THR A 1 12 ? 8.83733   1.64021  3.10820   1.000 16.85113  ? 12  THR A CG2 1 
ATOM   84   N N   . VAL A 1 13 ? 11.59066  4.41601  5.85823   1.000 11.44233  ? 13  VAL A N   1 
ATOM   85   C CA  . VAL A 1 13 ? 12.88619  4.78487  6.43513   1.000 12.75390  ? 13  VAL A CA  1 
ATOM   86   C C   . VAL A 1 13 ? 13.16422  4.08679  7.76274   1.000 11.21184  ? 13  VAL A C   1 
ATOM   87   O O   . VAL A 1 13 ? 14.24650  3.49779  7.90924   1.000 11.79666  ? 13  VAL A O   1 
ATOM   88   C CB  . VAL A 1 13 ? 13.04384  6.31623  6.48879   1.000 13.83026  ? 13  VAL A CB  1 
ATOM   89   C CG1 . VAL A 1 13 ? 14.28713  6.68380  7.28993   1.000 15.32594  ? 13  VAL A CG1 1 
ATOM   90   C CG2 . VAL A 1 13 ? 13.13886  6.88680  5.08602   1.000 17.54838  ? 13  VAL A CG2 1 
ATOM   91   N N   . PRO A 1 14 ? 12.26166  4.10245  8.75914   1.000 10.82122  ? 14  PRO A N   1 
ATOM   92   C CA  . PRO A 1 14 ? 10.95670  4.75732  8.82660   1.000 10.86942  ? 14  PRO A CA  1 
ATOM   93   C C   . PRO A 1 14 ? 11.05095  6.01817  9.65557   1.000 9.62748   ? 14  PRO A C   1 
ATOM   94   O O   . PRO A 1 14 ? 12.13561  6.38747  10.11996  1.000 11.12612  ? 14  PRO A O   1 
ATOM   95   C CB  . PRO A 1 14 ? 10.13268  3.73496  9.60423   1.000 11.64704  ? 14  PRO A CB  1 
ATOM   96   C CG  . PRO A 1 14 ? 11.12049  3.26052  10.64172  1.000 11.80929  ? 14  PRO A CG  1 
ATOM   97   C CD  . PRO A 1 14 ? 12.48532  3.24955  9.94011   1.000 10.76789  ? 14  PRO A CD  1 
ATOM   98   N N   . SER A 1 15 ? 9.90978   6.65949  9.87246   1.000 9.87537   ? 15  SER A N   1 
ATOM   99   C CA  . SER A 1 15 ? 9.76045   7.54976  11.01586  1.000 9.85309   ? 15  SER A CA  1 
ATOM   100  C C   . SER A 1 15 ? 9.13586   6.77063  12.16380  1.000 9.47314   ? 15  SER A C   1 
ATOM   101  O O   . SER A 1 15 ? 8.23536   5.95087  11.94905  1.000 10.01338  ? 15  SER A O   1 
ATOM   102  C CB  . SER A 1 15 ? 8.86515   8.73320  10.65804  1.000 9.99504   ? 15  SER A CB  1 
ATOM   103  O OG  . SER A 1 15 ? 9.55840   9.67873  9.84972   1.000 12.75124  ? 15  SER A OG  1 
ATOM   104  N N   . ILE A 1 16 ? 9.62770   7.02474  13.37724  1.000 9.94776   ? 16  ILE A N   1 
ATOM   105  C CA  . ILE A 1 16 ? 9.10946   6.41759  14.59539  1.000 8.72591   ? 16  ILE A CA  1 
ATOM   106  C C   . ILE A 1 16 ? 8.83413   7.54224  15.57377  1.000 8.75487   ? 16  ILE A C   1 
ATOM   107  O O   . ILE A 1 16 ? 9.60387   8.51190  15.64456  1.000 9.34823   ? 16  ILE A O   1 
ATOM   108  C CB  . ILE A 1 16 ? 10.12165  5.43739  15.23375  1.000 9.87945   ? 16  ILE A CB  1 
ATOM   109  C CG1 . ILE A 1 16 ? 10.66370  4.43621  14.20855  1.000 10.64726  ? 16  ILE A CG1 1 
ATOM   110  C CG2 . ILE A 1 16 ? 9.50295   4.69693  16.42466  1.000 10.44424  ? 16  ILE A CG2 1 
ATOM   111  C CD1 . ILE A 1 16 ? 11.84724  3.64607  14.72753  1.000 11.62634  ? 16  ILE A CD1 1 
ATOM   112  N N   . ARG A 1 17 ? 7.75399   7.40960  16.34511  1.000 9.03694   ? 17  ARG A N   1 
ATOM   113  C CA  . ARG A 1 17 ? 7.48722   8.28841  17.47912  1.000 9.70058   ? 17  ARG A CA  1 
ATOM   114  C C   . ARG A 1 17 ? 7.21054   7.41700  18.69132  1.000 9.36831   ? 17  ARG A C   1 
ATOM   115  O O   . ARG A 1 17 ? 6.40686   6.47777  18.61408  1.000 10.18398  ? 17  ARG A O   1 
ATOM   116  C CB  . ARG A 1 17 ? 6.29677   9.21333  17.21086  1.000 9.63579   ? 17  ARG A CB  1 
ATOM   117  C CG  . ARG A 1 17 ? 6.47820   10.14765 16.02424  1.000 10.22630  ? 17  ARG A CG  1 
ATOM   118  C CD  . ARG A 1 17 ? 7.58742   11.16520 16.24642  1.000 10.40329  ? 17  ARG A CD  1 
ATOM   119  N NE  . ARG A 1 17 ? 7.70920   12.11872 15.15107  1.000 11.92850  ? 17  ARG A NE  1 
ATOM   120  C CZ  . ARG A 1 17 ? 8.50650   11.95412 14.09952  1.000 10.46278  ? 17  ARG A CZ  1 
ATOM   121  N NH1 . ARG A 1 17 ? 9.26916   10.86837 13.99047  1.000 11.35951  ? 17  ARG A NH1 1 
ATOM   122  N NH2 . ARG A 1 17 ? 8.54744   12.88512 13.16122  1.000 12.35036  ? 17  ARG A NH2 1 
ATOM   123  N N   . VAL A 1 18 ? 7.89412   7.71105  19.79254  1.000 9.34883   ? 18  VAL A N   1 
ATOM   124  C CA  . VAL A 1 18 ? 7.73820   6.98238  21.04732  1.000 9.56687   ? 18  VAL A CA  1 
ATOM   125  C C   . VAL A 1 18 ? 7.30287   7.98905  22.10328  1.000 9.97950   ? 18  VAL A C   1 
ATOM   126  O O   . VAL A 1 18 ? 7.99307   8.99562  22.33863  1.000 10.53928  ? 18  VAL A O   1 
ATOM   127  C CB  . VAL A 1 18 ? 9.04581   6.29667  21.48023  1.000 10.40167  ? 18  VAL A CB  1 
ATOM   128  C CG1 . VAL A 1 18 ? 8.85797   5.54013  22.79524  1.000 12.31081  ? 18  VAL A CG1 1 
ATOM   129  C CG2 . VAL A 1 18 ? 9.56584   5.37538  20.39562  1.000 11.57870  ? 18  VAL A CG2 1 
ATOM   130  N N   . TYR A 1 19 ? 6.16439   7.72677  22.73292  1.000 9.63971   ? 19  TYR A N   1 
ATOM   131  C CA  . TYR A 1 19 ? 5.60028   8.58671  23.76445  1.000 10.56247  ? 19  TYR A CA  1 
ATOM   132  C C   . TYR A 1 19 ? 5.81775   7.91369  25.10602  1.000 10.27584  ? 19  TYR A C   1 
ATOM   133  O O   . TYR A 1 19 ? 5.57234   6.71117  25.23724  1.000 10.90869  ? 19  TYR A O   1 
ATOM   134  C CB  . TYR A 1 19 ? 4.09970   8.79785  23.51237  1.000 11.05920  ? 19  TYR A CB  1 
ATOM   135  C CG  . TYR A 1 19 ? 3.90590   9.42546  22.15733  1.000 10.73319  ? 19  TYR A CG  1 
ATOM   136  C CD1 . TYR A 1 19 ? 3.89060   10.80034 22.01091  1.000 10.98517  ? 19  TYR A CD1 1 
ATOM   137  C CD2 . TYR A 1 19 ? 3.85107   8.64357  20.99943  1.000 10.42541  ? 19  TYR A CD2 1 
ATOM   138  C CE1 . TYR A 1 19 ? 3.79328   11.38379 20.76373  1.000 10.92935  ? 19  TYR A CE1 1 
ATOM   139  C CE2 . TYR A 1 19 ? 3.75399   9.22194  19.74702  1.000 10.04972  ? 19  TYR A CE2 1 
ATOM   140  C CZ  . TYR A 1 19 ? 3.72790   10.58857 19.63962  1.000 10.58878  ? 19  TYR A CZ  1 
ATOM   141  O OH  . TYR A 1 19 ? 3.65373   11.14552 18.38693  1.000 11.15085  ? 19  TYR A OH  1 
ATOM   142  N N   . THR A 1 20 ? 6.29003   8.67733  26.09388  1.000 10.39886  ? 20  THR A N   1 
ATOM   143  C CA  . THR A 1 20 ? 6.56257   8.14455  27.42731  1.000 10.67297  ? 20  THR A CA  1 
ATOM   144  C C   . THR A 1 20 ? 5.78908   8.93680  28.46648  1.000 11.15094  ? 20  THR A C   1 
ATOM   145  O O   . THR A 1 20 ? 5.95333   10.15644 28.55121  1.000 11.95532  ? 20  THR A O   1 
ATOM   146  C CB  . THR A 1 20 ? 8.05236   8.22335  27.75597  1.000 11.40919  ? 20  THR A CB  1 
ATOM   147  O OG1 . THR A 1 20 ? 8.77561   7.44652  26.79115  1.000 13.15978  ? 20  THR A OG1 1 
ATOM   148  C CG2 . THR A 1 20 ? 8.32062   7.68625  29.16041  1.000 13.42202  ? 20  THR A CG2 1 
ATOM   149  N N   . ALA A 1 21 ? 4.95785   8.24530  29.24304  1.000 11.13642  ? 21  ALA A N   1 
ATOM   150  C CA  . ALA A 1 21 ? 4.31553   8.82413  30.41814  1.000 11.92125  ? 21  ALA A CA  1 
ATOM   151  C C   . ALA A 1 21 ? 5.21435   8.58808  31.62852  1.000 12.50195  ? 21  ALA A C   1 
ATOM   152  O O   . ALA A 1 21 ? 5.47504   7.44265  32.00350  1.000 13.63002  ? 21  ALA A O   1 
ATOM   153  C CB  . ALA A 1 21 ? 2.94418   8.18941  30.63032  1.000 14.42643  ? 21  ALA A CB  1 
ATOM   154  N N   . ASN A 1 22 ? 5.71208   9.67625  32.21071  1.000 13.74653  ? 22  ASN A N   1 
ATOM   155  C CA  . ASN A 1 22 ? 6.66278   9.61778  33.31712  1.000 14.92055  ? 22  ASN A CA  1 
ATOM   156  C C   . ASN A 1 22 ? 6.21481   10.65769 34.33355  1.000 13.38637  ? 22  ASN A C   1 
ATOM   157  O O   . ASN A 1 22 ? 6.22739   11.85357 34.04096  1.000 12.93295  ? 22  ASN A O   1 
ATOM   158  C CB  . ASN A 1 22 ? 8.05971   9.93106  32.78496  1.000 15.96050  ? 22  ASN A CB  1 
ATOM   159  C CG  . ASN A 1 22 ? 9.12497   9.90601  33.85051  1.000 17.41551  ? 22  ASN A CG  1 
ATOM   160  O OD1 . ASN A 1 22 ? 8.85060   9.70002  35.02714  1.000 20.16667  ? 22  ASN A OD1 1 
ATOM   161  N ND2 . ASN A 1 22 ? 10.36896  10.09342 33.43215  1.000 20.44177  ? 22  ASN A ND2 1 
ATOM   162  N N   . ASN A 1 23 ? 5.79361   10.19215 35.51130  1.000 14.34022  ? 23  ASN A N   1 
ATOM   163  C CA  . ASN A 1 23 ? 5.42301   11.07791 36.61691  1.000 16.05454  ? 23  ASN A CA  1 
ATOM   164  C C   . ASN A 1 23 ? 4.34096   12.07217 36.19840  1.000 15.98751  ? 23  ASN A C   1 
ATOM   165  O O   . ASN A 1 23 ? 4.37907   13.25044 36.54986  1.000 17.43462  ? 23  ASN A O   1 
ATOM   166  C CB  . ASN A 1 23 ? 6.65086   11.78643 37.20089  1.000 15.66751  ? 23  ASN A CB  1 
ATOM   167  C CG  . ASN A 1 23 ? 6.36481   12.43987 38.54116  1.000 22.03315  ? 23  ASN A CG  1 
ATOM   168  O OD1 . ASN A 1 23 ? 5.57596   11.93111 39.33063  1.000 25.42096  ? 23  ASN A OD1 1 
ATOM   169  N ND2 . ASN A 1 23 ? 7.00375   13.57381 38.79533  1.000 30.74976  ? 23  ASN A ND2 1 
ATOM   170  N N   . GLY A 1 24 ? 3.38127   11.60557 35.40059  1.000 15.98039  ? 24  GLY A N   1 
ATOM   171  C CA  . GLY A 1 24 ? 2.25060   12.42906 35.02548  1.000 16.45940  ? 24  GLY A CA  1 
ATOM   172  C C   . GLY A 1 24 ? 2.44261   13.29337 33.79653  1.000 13.94405  ? 24  GLY A C   1 
ATOM   173  O O   . GLY A 1 24 ? 1.52859   14.04980 33.44573  1.000 14.85412  ? 24  GLY A O   1 
ATOM   174  N N   . LYS A 1 25 ? 3.60295   13.23514 33.15401  1.000 13.96805  ? 25  LYS A N   1 
ATOM   175  C CA  . LYS A 1 25 ? 3.87147   14.00475 31.94574  1.000 12.92636  ? 25  LYS A CA  1 
ATOM   176  C C   . LYS A 1 25 ? 4.21294   13.05719 30.80558  1.000 11.92488  ? 25  LYS A C   1 
ATOM   177  O O   . LYS A 1 25 ? 5.04690   12.16429 30.96962  1.000 13.03103  ? 25  LYS A O   1 
ATOM   178  C CB  . LYS A 1 25 ? 5.03483   14.97092 32.16790  1.000 14.31801  ? 25  LYS A CB  1 
ATOM   179  C CG  . LYS A 1 25 ? 5.32168   15.86425 30.97460  1.000 16.06779  ? 25  LYS A CG  1 
ATOM   180  C CD  . LYS A 1 25 ? 6.59177   16.65836 31.18949  1.000 15.61586  ? 25  LYS A CD  1 
ATOM   181  C CE  . LYS A 1 25 ? 6.84071   17.63433 30.05258  1.000 31.01552  ? 25  LYS A CE  1 
ATOM   182  N NZ  . LYS A 1 25 ? 7.89894   18.62264 30.39252  1.000 67.09036  ? 25  LYS A NZ  1 
ATOM   183  N N   . ILE A 1 26 ? 3.59307   13.27368 29.64661  1.000 11.88811  ? 26  ILE A N   1 
ATOM   184  C CA  . ILE A 1 26 ? 3.89712   12.50713 28.44610  1.000 10.87110  ? 26  ILE A CA  1 
ATOM   185  C C   . ILE A 1 26 ? 4.76280   13.36584 27.54107  1.000 11.56912  ? 26  ILE A C   1 
ATOM   186  O O   . ILE A 1 26 ? 4.38500   14.49277 27.19464  1.000 12.60281  ? 26  ILE A O   1 
ATOM   187  C CB  . ILE A 1 26 ? 2.62046   12.06452 27.71208  1.000 11.83137  ? 26  ILE A CB  1 
ATOM   188  C CG1 . ILE A 1 26 ? 1.74588   11.17516 28.60090  1.000 12.47524  ? 26  ILE A CG1 1 
ATOM   189  C CG2 . ILE A 1 26 ? 3.00182   11.33685 26.41755  1.000 11.81376  ? 26  ILE A CG2 1 
ATOM   190  C CD1 . ILE A 1 26 ? 0.30526   11.09570 28.15577  1.000 14.24195  ? 26  ILE A CD1 1 
ATOM   191  N N   . THR A 1 27 ? 5.91560   12.83056 27.14697  1.000 11.41758  ? 27  THR A N   1 
ATOM   192  C CA  . THR A 1 27 ? 6.81274   13.46745 26.19342  1.000 12.03348  ? 27  THR A CA  1 
ATOM   193  C C   . THR A 1 27 ? 7.04811   12.52101 25.01651  1.000 11.58513  ? 27  THR A C   1 
ATOM   194  O O   . THR A 1 27 ? 6.63147   11.35723 25.03259  1.000 12.33892  ? 27  THR A O   1 
ATOM   195  C CB  . THR A 1 27 ? 8.13579   13.86416 26.86284  1.000 14.01237  ? 27  THR A CB  1 
ATOM   196  O OG1 . THR A 1 27 ? 8.74535   12.70855 27.43511  1.000 14.76483  ? 27  THR A OG1 1 
ATOM   197  C CG2 . THR A 1 27 ? 7.90433   14.88798 27.95970  1.000 15.19521  ? 27  THR A CG2 1 
ATOM   198  N N   . GLU A 1 28 ? 7.77398   13.01807 24.02151  1.000 11.08392  ? 28  GLU A N   1 
ATOM   199  C CA  . GLU A 1 28 ? 7.86934   12.34834 22.73387  1.000 10.99209  ? 28  GLU A CA  1 
ATOM   200  C C   . GLU A 1 28 ? 9.30957   12.36157 22.25301  1.000 11.92244  ? 28  GLU A C   1 
ATOM   201  O O   . GLU A 1 28 ? 9.96725   13.41119 22.27271  1.000 13.22998  ? 28  GLU A O   1 
ATOM   202  C CB  . GLU A 1 28 ? 6.98704   13.09245 21.72778  1.000 10.73049  ? 28  GLU A CB  1 
ATOM   203  C CG  . GLU A 1 28 ? 7.03336   12.57761 20.29582  1.000 12.33088  ? 28  GLU A CG  1 
ATOM   204  C CD  . GLU A 1 28 ? 6.35088   13.53331 19.32907  1.000 11.87938  ? 28  GLU A CD  1 
ATOM   205  O OE1 . GLU A 1 28 ? 6.59694   14.76278 19.42922  1.000 12.92689  ? 28  GLU A OE1 1 
ATOM   206  O OE2 . GLU A 1 28 ? 5.57591   13.06723 18.45902  1.000 12.28762  ? 28  GLU A OE2 1 
ATOM   207  N N   . ARG A 1 29 ? 9.78932   11.20358 21.80144  1.000 10.99614  ? 29  ARG A N   1 
ATOM   208  C CA  . ARG A 1 29 ? 11.07130  11.09993 21.12714  1.000 10.67324  ? 29  ARG A CA  1 
ATOM   209  C C   . ARG A 1 29 ? 10.82702  10.63299 19.70013  1.000 10.84562  ? 29  ARG A C   1 
ATOM   210  O O   . ARG A 1 29 ? 9.92651   9.81626  19.44475  1.000 11.27855  ? 29  ARG A O   1 
ATOM   211  C CB  . ARG A 1 29 ? 11.98744  10.13208 21.86542  1.000 12.90891  ? 29  ARG A CB  1 
ATOM   212  C CG  . ARG A 1 29 ? 12.41733  10.64553 23.22410  1.000 12.81613  ? 29  ARG A CG  1 
ATOM   213  C CD  . ARG A 1 29 ? 13.48393  11.71746 23.09902  1.000 14.74206  ? 29  ARG A CD  1 
ATOM   214  N NE  . ARG A 1 29 ? 14.80455  11.12176 22.92104  1.000 14.99006  ? 29  ARG A NE  1 
ATOM   215  C CZ  . ARG A 1 29 ? 15.90941  11.81862 22.66166  1.000 14.79467  ? 29  ARG A CZ  1 
ATOM   216  N NH1 . ARG A 1 29 ? 15.85017  13.13929 22.56398  1.000 16.43669  ? 29  ARG A NH1 1 
ATOM   217  N NH2 . ARG A 1 29 ? 17.07013  11.18796 22.52494  1.000 16.32451  ? 29  ARG A NH2 1 
ATOM   218  N N   . CYS A 1 30 ? 11.61777  11.16357 18.77683  1.000 10.84842  ? 30  CYS A N   1 
ATOM   219  C CA  . CYS A 1 30 ? 11.36740  11.01610 17.35479  1.000 11.01465  ? 30  CYS A CA  1 
ATOM   220  C C   . CYS A 1 30 ? 12.58536  10.48039 16.62977  1.000 11.09352  ? 30  CYS A C   1 
ATOM   221  O O   . CYS A 1 30 ? 13.72228  10.83982 16.95467  1.000 11.62228  ? 30  CYS A O   1 
ATOM   222  C CB  . CYS A 1 30 ? 11.05463  12.37159 16.72650  1.000 11.06745  ? 30  CYS A CB  1 
ATOM   223  S SG  . CYS A 1 30 ? 9.84227   13.38648 17.58969  1.000 12.37064  ? 30  CYS A SG  1 
ATOM   224  N N   . TRP A 1 31 ? 12.32890  9.65317  15.62063  1.000 10.08536  ? 31  TRP A N   1 
ATOM   225  C CA  . TRP A 1 31 ? 13.34117  9.14431  14.71140  1.000 11.11749  ? 31  TRP A CA  1 
ATOM   226  C C   . TRP A 1 31 ? 12.80327  9.30584  13.30125  1.000 10.66833  ? 31  TRP A C   1 
ATOM   227  O O   . TRP A 1 31 ? 11.66250  8.92407  13.02896  1.000 11.03691  ? 31  TRP A O   1 
ATOM   228  C CB  . TRP A 1 31 ? 13.56403  7.65483  14.98569  1.000 11.32629  ? 31  TRP A CB  1 
ATOM   229  C CG  . TRP A 1 31 ? 14.47623  6.94834  14.02116  1.000 10.64708  ? 31  TRP A CG  1 
ATOM   230  C CD1 . TRP A 1 31 ? 14.12203  6.29358  12.87381  1.000 11.18395  ? 31  TRP A CD1 1 
ATOM   231  C CD2 . TRP A 1 31 ? 15.89841  6.82612  14.13158  1.000 10.95295  ? 31  TRP A CD2 1 
ATOM   232  N NE1 . TRP A 1 31 ? 15.24121  5.77144  12.26172  1.000 11.23629  ? 31  TRP A NE1 1 
ATOM   233  C CE2 . TRP A 1 31 ? 16.34354  6.08406  13.01620  1.000 12.00618  ? 31  TRP A CE2 1 
ATOM   234  C CE3 . TRP A 1 31 ? 16.83859  7.25829  15.07855  1.000 11.46553  ? 31  TRP A CE3 1 
ATOM   235  C CZ2 . TRP A 1 31 ? 17.68775  5.77480  12.81663  1.000 12.63138  ? 31  TRP A CZ2 1 
ATOM   236  C CZ3 . TRP A 1 31 ? 18.16876  6.94359  14.88085  1.000 12.93095  ? 31  TRP A CZ3 1 
ATOM   237  C CH2 . TRP A 1 31 ? 18.58225  6.21521  13.75512  1.000 13.70857  ? 31  TRP A CH2 1 
ATOM   238  N N   . ASP A 1 32 ? 13.61062  9.87664  12.39664  1.000 11.13756  ? 32  ASP A N   1 
ATOM   239  C CA  . ASP A 1 32 ? 13.27735  9.87242  10.97520  1.000 12.45050  ? 32  ASP A CA  1 
ATOM   240  C C   . ASP A 1 32 ? 14.42626  9.32644  10.14010  1.000 12.12709  ? 32  ASP A C   1 
ATOM   241  O O   . ASP A 1 32 ? 14.52517  9.64238  8.94847   1.000 15.07785  ? 32  ASP A O   1 
ATOM   242  C CB  . ASP A 1 32 ? 12.87439  11.26004 10.46857  1.000 13.75553  ? 32  ASP A CB  1 
ATOM   243  C CG  . ASP A 1 32 ? 11.85214  11.93119 11.35705  1.000 14.08381  ? 32  ASP A CG  1 
ATOM   244  O OD1 . ASP A 1 32 ? 10.69375  11.46091 11.44856  1.000 13.08002  ? 32  ASP A OD1 1 
ATOM   245  O OD2 . ASP A 1 32 ? 12.22282  12.94601 11.97558  1.000 17.78941  ? 32  ASP A OD2 1 
ATOM   246  N N   . GLY A 1 33 ? 15.31214  8.55029  10.74301  1.000 12.29038  ? 33  GLY A N   1 
ATOM   247  C CA  . GLY A 1 33 ? 16.39710  7.91339  10.03157  1.000 13.35342  ? 33  GLY A CA  1 
ATOM   248  C C   . GLY A 1 33 ? 17.77416  8.42768  10.37736  1.000 13.63964  ? 33  GLY A C   1 
ATOM   249  O O   . GLY A 1 33 ? 18.76207  7.81695  9.94719   1.000 16.64837  ? 33  GLY A O   1 
ATOM   250  N N   . LYS A 1 34 ? 17.88829  9.52016  11.13381  1.000 14.76601  ? 34  LYS A N   1 
ATOM   251  C CA  . LYS A 1 34 ? 19.18076  10.18036 11.27060  1.000 14.62090  ? 34  LYS A CA  1 
ATOM   252  C C   . LYS A 1 34 ? 19.51771  10.55230 12.70881  1.000 15.28852  ? 34  LYS A C   1 
ATOM   253  O O   . LYS A 1 34 ? 20.40783  11.37945 12.93594  1.000 17.84357  ? 34  LYS A O   1 
ATOM   254  C CB  . LYS A 1 34 ? 19.28363  11.38005 10.32867  1.000 17.35559  ? 34  LYS A CB  1 
ATOM   255  C CG  . LYS A 1 34 ? 18.41428  12.55745 10.71655  1.000 17.23411  ? 34  LYS A CG  1 
ATOM   256  C CD  . LYS A 1 34 ? 18.75113  13.77253 9.86734   1.000 19.73666  ? 34  LYS A CD  1 
ATOM   257  C CE  . LYS A 1 34 ? 18.26348  15.05276 10.50246  1.000 24.28672  ? 34  LYS A CE  1 
ATOM   258  N NZ  . LYS A 1 34 ? 19.21741  16.17734 10.24665  1.000 29.17225  ? 34  LYS A NZ  1 
ATOM   259  N N   . GLY A 1 35 ? 18.85523  9.94463  13.68337  1.000 14.40311  ? 35  GLY A N   1 
ATOM   260  C CA  . GLY A 1 35 ? 19.13277  10.21993 15.08381  1.000 13.73928  ? 35  GLY A CA  1 
ATOM   261  C C   . GLY A 1 35 ? 17.86048  10.52145 15.84891  1.000 12.66833  ? 35  GLY A C   1 
ATOM   262  O O   . GLY A 1 35 ? 16.89777  11.07001 15.31040  1.000 14.29614  ? 35  GLY A O   1 
ATOM   263  N N   . TRP A 1 36 ? 17.85259  10.15309 17.12537  1.000 13.19670  ? 36  TRP A N   1 
ATOM   264  C CA  . TRP A 1 36 ? 16.71140  10.43960 17.98409  1.000 12.37465  ? 36  TRP A CA  1 
ATOM   265  C C   . TRP A 1 36 ? 16.75505  11.88313 18.46643  1.000 13.26671  ? 36  TRP A C   1 
ATOM   266  O O   . TRP A 1 36 ? 17.82214  12.41578 18.79694  1.000 14.44083  ? 36  TRP A O   1 
ATOM   267  C CB  . TRP A 1 36 ? 16.69361  9.48972  19.18744  1.000 12.56814  ? 36  TRP A CB  1 
ATOM   268  C CG  . TRP A 1 36 ? 16.31399  8.08674  18.79928  1.000 11.25751  ? 36  TRP A CG  1 
ATOM   269  C CD1 . TRP A 1 36 ? 17.15764  7.06782  18.46657  1.000 12.47246  ? 36  TRP A CD1 1 
ATOM   270  C CD2 . TRP A 1 36 ? 14.98359  7.57723  18.63721  1.000 11.35563  ? 36  TRP A CD2 1 
ATOM   271  N NE1 . TRP A 1 36 ? 16.43809  5.94265  18.13153  1.000 11.72958  ? 36  TRP A NE1 1 
ATOM   272  C CE2 . TRP A 1 36 ? 15.09924  6.22743  18.23200  1.000 10.66398  ? 36  TRP A CE2 1 
ATOM   273  C CE3 . TRP A 1 36 ? 13.70810  8.11878  18.83611  1.000 10.91536  ? 36  TRP A CE3 1 
ATOM   274  C CZ2 . TRP A 1 36 ? 13.97891  5.41192  18.00810  1.000 10.69500  ? 36  TRP A CZ2 1 
ATOM   275  C CZ3 . TRP A 1 36 ? 12.60346  7.31285  18.59866  1.000 11.52259  ? 36  TRP A CZ3 1 
ATOM   276  C CH2 . TRP A 1 36 ? 12.74870  5.97526  18.18987  1.000 10.85628  ? 36  TRP A CH2 1 
ATOM   277  N N   . TYR A 1 37 ? 15.58387  12.50820 18.53880  1.000 12.88726  ? 37  TYR A N   1 
ATOM   278  C CA  . TYR A 1 37 ? 15.48328  13.87724 19.01826  1.000 13.64117  ? 37  TYR A CA  1 
ATOM   279  C C   . TYR A 1 37 ? 14.14326  14.05504 19.72396  1.000 13.82601  ? 37  TYR A C   1 
ATOM   280  O O   . TYR A 1 37 ? 13.22608  13.23510 19.59924  1.000 13.87230  ? 37  TYR A O   1 
ATOM   281  C CB  . TYR A 1 37 ? 15.68372  14.88192 17.88270  1.000 14.38211  ? 37  TYR A CB  1 
ATOM   282  C CG  . TYR A 1 37 ? 14.63465  14.78396 16.80479  1.000 14.36503  ? 37  TYR A CG  1 
ATOM   283  C CD1 . TYR A 1 37 ? 14.72367  13.83384 15.78958  1.000 13.08337  ? 37  TYR A CD1 1 
ATOM   284  C CD2 . TYR A 1 37 ? 13.54577  15.64124 16.80270  1.000 15.71757  ? 37  TYR A CD2 1 
ATOM   285  C CE1 . TYR A 1 37 ? 13.74745  13.74468 14.81021  1.000 13.59767  ? 37  TYR A CE1 1 
ATOM   286  C CE2 . TYR A 1 37 ? 12.57852  15.56616 15.82952  1.000 15.34335  ? 37  TYR A CE2 1 
ATOM   287  C CZ  . TYR A 1 37 ? 12.68231  14.62266 14.83611  1.000 13.93265  ? 37  TYR A CZ  1 
ATOM   288  O OH  . TYR A 1 37 ? 11.70070  14.56068 13.87389  1.000 15.32879  ? 37  TYR A OH  1 
ATOM   289  N N   . THR A 1 38 ? 14.02712  15.13707 20.47399  1.000 13.90825  ? 38  THR A N   1 
ATOM   290  C CA  . THR A 1 38 ? 12.82676  15.37542 21.25715  1.000 14.02906  ? 38  THR A CA  1 
ATOM   291  C C   . THR A 1 38 ? 11.77803  16.09699 20.42705  1.000 12.89740  ? 38  THR A C   1 
ATOM   292  O O   . THR A 1 38 ? 12.06826  17.10513 19.77692  1.000 15.80924  ? 38  THR A O   1 
ATOM   293  C CB  . THR A 1 38 ? 13.17940  16.15012 22.52339  1.000 16.35103  ? 38  THR A CB  1 
ATOM   294  O OG1 . THR A 1 38 ? 14.06744  15.34295 23.29530  1.000 17.62224  ? 38  THR A OG1 1 
ATOM   295  C CG2 . THR A 1 38 ? 11.92926  16.46659 23.33777  1.000 16.20058  ? 38  THR A CG2 1 
ATOM   296  N N   . GLY A 1 39 ? 10.55429  15.56174 20.43971  1.000 13.57788  ? 39  GLY A N   1 
ATOM   297  C CA  . GLY A 1 39 ? 9.46867   16.12865 19.67471  1.000 14.33491  ? 39  GLY A CA  1 
ATOM   298  C C   . GLY A 1 39 ? 8.72836   17.21254 20.43225  1.000 12.73430  ? 39  GLY A C   1 
ATOM   299  O O   . GLY A 1 39 ? 8.95830   17.46252 21.61361  1.000 14.38394  ? 39  GLY A O   1 
ATOM   300  N N   . ALA A 1 40 ? 7.78646   17.83379 19.72746  1.000 13.43747  ? 40  ALA A N   1 
ATOM   301  C CA  . ALA A 1 40 ? 7.01024   18.93663 20.28258  1.000 14.18703  ? 40  ALA A CA  1 
ATOM   302  C C   . ALA A 1 40 ? 5.93924   18.50410 21.27903  1.000 14.83865  ? 40  ALA A C   1 
ATOM   303  O O   . ALA A 1 40 ? 5.40192   19.36341 21.98678  1.000 16.34468  ? 40  ALA A O   1 
ATOM   304  C CB  . ALA A 1 40 ? 6.33435   19.70288 19.14931  1.000 16.43238  ? 40  ALA A CB  1 
ATOM   305  N N   . PHE A 1 41 ? 5.59226   17.22097 21.34867  1.000 13.07422  ? 41  PHE A N   1 
ATOM   306  C CA  . PHE A 1 41 ? 4.47690   16.80476 22.18887  1.000 12.49152  ? 41  PHE A CA  1 
ATOM   307  C C   . PHE A 1 41 ? 4.83647   16.90232 23.66845  1.000 12.40125  ? 41  PHE A C   1 
ATOM   308  O O   . PHE A 1 41 ? 5.81389   16.29945 24.11891  1.000 12.93639  ? 41  PHE A O   1 
ATOM   309  C CB  . PHE A 1 41 ? 4.10014   15.35839 21.87335  1.000 12.84925  ? 41  PHE A CB  1 
ATOM   310  C CG  . PHE A 1 41 ? 2.86801   14.89028 22.58821  1.000 12.50339  ? 41  PHE A CG  1 
ATOM   311  C CD1 . PHE A 1 41 ? 2.93477   14.37936 23.86890  1.000 14.15623  ? 41  PHE A CD1 1 
ATOM   312  C CD2 . PHE A 1 41 ? 1.63535   14.99275 21.97555  1.000 15.58801  ? 41  PHE A CD2 1 
ATOM   313  C CE1 . PHE A 1 41 ? 1.78878   13.97040 24.51504  1.000 13.00458  ? 41  PHE A CE1 1 
ATOM   314  C CE2 . PHE A 1 41 ? 0.49361   14.58134 22.61234  1.000 15.01583  ? 41  PHE A CE2 1 
ATOM   315  C CZ  . PHE A 1 41 ? 0.56997   14.07225 23.88452  1.000 12.88471  ? 41  PHE A CZ  1 
ATOM   316  N N   . ASN A 1 42 ? 4.00188   17.61147 24.43799  1.000 13.55640  ? 42  ASN A N   1 
ATOM   317  C CA  . ASN A 1 42 ? 4.10906   17.66163 25.90180  1.000 13.40058  ? 42  ASN A CA  1 
ATOM   318  C C   . ASN A 1 42 ? 2.69609   17.81050 26.45010  1.000 12.73766  ? 42  ASN A C   1 
ATOM   319  O O   . ASN A 1 42 ? 2.07796   18.85841 26.24638  1.000 13.95325  ? 42  ASN A O   1 
ATOM   320  C CB  . ASN A 1 42 ? 4.94415   18.86229 26.35314  1.000 14.93948  ? 42  ASN A CB  1 
ATOM   321  C CG  . ASN A 1 42 ? 6.41356   18.72788 26.02096  1.000 14.81278  ? 42  ASN A CG  1 
ATOM   322  O OD1 . ASN A 1 42 ? 7.18070   18.13572 26.77578  1.000 16.68982  ? 42  ASN A OD1 1 
ATOM   323  N ND2 . ASN A 1 42 ? 6.81592   19.29071 24.89579  1.000 17.52786  ? 42  ASN A ND2 1 
ATOM   324  N N   . GLU A 1 43 ? 2.18537   16.79303 27.14310  1.000 13.36222  ? 43  GLU A N   1 
ATOM   325  C CA  . GLU A 1 43 ? 0.82846   16.85029 27.67531  1.000 13.33728  ? 43  GLU A CA  1 
ATOM   326  C C   . GLU A 1 43 ? 0.74933   16.01761 28.94088  1.000 13.66240  ? 43  GLU A C   1 
ATOM   327  O O   . GLU A 1 43 ? 1.50400   15.05238 29.09135  1.000 13.32320  ? 43  GLU A O   1 
ATOM   328  C CB  . GLU A 1 43 ? -0.21063  16.32034 26.67191  1.000 13.59228  ? 43  GLU A CB  1 
ATOM   329  C CG  . GLU A 1 43 ? -0.33050  17.08983 25.36280  1.000 14.30432  ? 43  GLU A CG  1 
ATOM   330  C CD  . GLU A 1 43 ? -0.72830  18.53958 25.56079  1.000 13.98921  ? 43  GLU A CD  1 
ATOM   331  O OE1 . GLU A 1 43 ? -1.25207  18.86244 26.65163  1.000 14.72357  ? 43  GLU A OE1 1 
ATOM   332  O OE2 . GLU A 1 43 ? -0.54164  19.35065 24.63343  1.000 15.56298  ? 43  GLU A OE2 1 
ATOM   333  N N   . PRO A 1 44 ? -0.16737  16.34366 29.85436  1.000 13.96791  ? 44  PRO A N   1 
ATOM   334  C CA  . PRO A 1 44 ? -0.30840  15.53604 31.07114  1.000 13.86460  ? 44  PRO A CA  1 
ATOM   335  C C   . PRO A 1 44 ? -0.92986  14.18078 30.78332  1.000 14.39195  ? 44  PRO A C   1 
ATOM   336  O O   . PRO A 1 44 ? -1.79835  14.03278 29.91686  1.000 15.63842  ? 44  PRO A O   1 
ATOM   337  C CB  . PRO A 1 44 ? -1.24303  16.37498 31.95505  1.000 16.75473  ? 44  PRO A CB  1 
ATOM   338  C CG  . PRO A 1 44 ? -2.01017  17.21238 31.00189  1.000 16.90715  ? 44  PRO A CG  1 
ATOM   339  C CD  . PRO A 1 44 ? -1.08702  17.49699 29.84802  1.000 15.08669  ? 44  PRO A CD  1 
ATOM   340  N N   . GLY A 1 45 ? -0.47785  13.18722 31.53672  1.000 15.19426  ? 45  GLY A N   1 
ATOM   341  C CA  . GLY A 1 45 ? -1.09528  11.88110 31.52181  1.000 15.61975  ? 45  GLY A CA  1 
ATOM   342  C C   . GLY A 1 45 ? -0.26556  10.83506 32.23365  1.000 13.78036  ? 45  GLY A C   1 
ATOM   343  O O   . GLY A 1 45 ? 0.96305   10.94393 32.30696  1.000 15.99867  ? 45  GLY A O   1 
ATOM   344  N N   . ASP A 1 46 ? -0.93641  9.81397  32.76510  1.000 14.46195  ? 46  ASP A N   1 
ATOM   345  C CA  . ASP A 1 46 ? -0.28451  8.67132  33.38544  1.000 16.46424  ? 46  ASP A CA  1 
ATOM   346  C C   . ASP A 1 46 ? -0.22625  7.46363  32.46949  1.000 14.43143  ? 46  ASP A C   1 
ATOM   347  O O   . ASP A 1 46 ? 0.58957   6.56738  32.69179  1.000 18.18259  ? 46  ASP A O   1 
ATOM   348  C CB  . ASP A 1 46 ? -1.04216  8.26860  34.65425  1.000 16.48754  ? 46  ASP A CB  1 
ATOM   349  C CG  . ASP A 1 46 ? -1.02560  9.35563  35.70280  1.000 28.19380  ? 46  ASP A CG  1 
ATOM   350  O OD1 . ASP A 1 46 ? 0.07189   9.88898  35.96891  1.000 25.50663  ? 46  ASP A OD1 1 
ATOM   351  O OD2 . ASP A 1 46 ? -2.10320  9.68164  36.24615  1.000 39.09972  ? 46  ASP A OD2 1 
ATOM   352  N N   . ASN A 1 47 ? -1.07267  7.43744  31.45025  1.000 15.07679  ? 47  ASN A N   1 
ATOM   353  C CA  . ASN A 1 47 ? -1.16696  6.36739  30.47543  1.000 14.09627  ? 47  ASN A CA  1 
ATOM   354  C C   . ASN A 1 47 ? -1.27634  6.97778  29.09103  1.000 11.97643  ? 47  ASN A C   1 
ATOM   355  O O   . ASN A 1 47 ? -1.88849  8.02702  28.92098  1.000 12.38042  ? 47  ASN A O   1 
ATOM   356  C CB  . ASN A 1 47 ? -2.43630  5.56420  30.70977  1.000 15.77959  ? 47  ASN A CB  1 
ATOM   357  C CG  . ASN A 1 47 ? -2.56317  4.41942  29.75038  1.000 18.90566  ? 47  ASN A CG  1 
ATOM   358  O OD1 . ASN A 1 47 ? -1.88139  3.40484  29.87272  1.000 21.64809  ? 47  ASN A OD1 1 
ATOM   359  N ND2 . ASN A 1 47 ? -3.42141  4.59993  28.73930  1.000 15.36299  ? 47  ASN A ND2 1 
ATOM   360  N N   . VAL A 1 48 ? -0.69491  6.29937  28.09782  1.000 12.19726  ? 48  VAL A N   1 
ATOM   361  C CA  . VAL A 1 48 ? -0.67007  6.80555  26.72900  1.000 11.41738  ? 48  VAL A CA  1 
ATOM   362  C C   . VAL A 1 48 ? -0.84479  5.66757  25.73068  1.000 9.70897   ? 48  VAL A C   1 
ATOM   363  O O   . VAL A 1 48 ? -0.29467  4.57707  25.90531  1.000 10.98015  ? 48  VAL A O   1 
ATOM   364  C CB  . VAL A 1 48 ? 0.61405   7.62863  26.45876  1.000 12.95902  ? 48  VAL A CB  1 
ATOM   365  C CG1 . VAL A 1 48 ? 1.86405   6.77562  26.59616  1.000 14.16157  ? 48  VAL A CG1 1 
ATOM   366  C CG2 . VAL A 1 48 ? 0.56689   8.26461  25.08539  1.000 13.76263  ? 48  VAL A CG2 1 
ATOM   367  N N   . SER A 1 49 ? -1.62292  5.92975  24.68385  1.000 10.07597  ? 49  SER A N   1 
ATOM   368  C CA  . SER A 1 49 ? -1.64967  5.09410  23.48983  1.000 9.94689   ? 49  SER A CA  1 
ATOM   369  C C   . SER A 1 49 ? -1.59962  5.99899  22.27179  1.000 9.27272   ? 49  SER A C   1 
ATOM   370  O O   . SER A 1 49 ? -1.80947  7.21049  22.37174  1.000 9.84437   ? 49  SER A O   1 
ATOM   371  C CB  . SER A 1 49 ? -2.88284  4.17503  23.44178  1.000 10.31182  ? 49  SER A CB  1 
ATOM   372  O OG  . SER A 1 49 ? -4.07421  4.90079  23.25337  1.000 10.67618  ? 49  SER A OG  1 
ATOM   373  N N   . VAL A 1 50 ? -1.29178  5.40935  21.11312  1.000 9.29897   ? 50  VAL A N   1 
ATOM   374  C CA  . VAL A 1 50 ? -1.09702  6.20144  19.90264  1.000 9.07172   ? 50  VAL A CA  1 
ATOM   375  C C   . VAL A 1 50 ? -1.47549  5.38272  18.67963  1.000 9.20207   ? 50  VAL A C   1 
ATOM   376  O O   . VAL A 1 50 ? -1.32240  4.16066  18.65815  1.000 9.64015   ? 50  VAL A O   1 
ATOM   377  C CB  . VAL A 1 50 ? 0.36030   6.73240  19.78184  1.000 9.67321   ? 50  VAL A CB  1 
ATOM   378  C CG1 . VAL A 1 50 ? 1.36987   5.60638  19.63330  1.000 11.34674  ? 50  VAL A CG1 1 
ATOM   379  C CG2 . VAL A 1 50 ? 0.48808   7.73365  18.63457  1.000 11.58362  ? 50  VAL A CG2 1 
ATOM   380  N N   . THR A 1 51 ? -1.96577  6.06895  17.65547  1.000 8.84214   ? 51  THR A N   1 
ATOM   381  C CA  . THR A 1 51 ? -2.09993  5.48400  16.33168  1.000 8.95327   ? 51  THR A CA  1 
ATOM   382  C C   . THR A 1 51 ? -1.80440  6.56521  15.29928  1.000 9.04970   ? 51  THR A C   1 
ATOM   383  O O   . THR A 1 51 ? -1.82768  7.75849  15.61711  1.000 10.26900  ? 51  THR A O   1 
ATOM   384  C CB  . THR A 1 51 ? -3.49291  4.84986  16.14370  1.000 9.41962   ? 51  THR A CB  1 
ATOM   385  O OG1 . THR A 1 51 ? -3.49695  4.05809  14.95361  1.000 10.28438  ? 51  THR A OG1 1 
ATOM   386  C CG2 . THR A 1 51 ? -4.59100  5.89229  16.05064  1.000 10.88987  ? 51  THR A CG2 1 
ATOM   387  N N   . SER A 1 52 ? -1.48621  6.15481  14.07104  1.000 8.76971   ? 52  SER A N   1 
ATOM   388  C CA  . SER A 1 52 ? -1.19017  7.13307  13.03463  1.000 9.63898   ? 52  SER A CA  1 
ATOM   389  C C   . SER A 1 52 ? -1.54643  6.53949  11.68309  1.000 8.53623   ? 52  SER A C   1 
ATOM   390  O O   . SER A 1 52 ? -1.61864  5.31969  11.52497  1.000 9.26899   ? 52  SER A O   1 
ATOM   391  C CB  . SER A 1 52 ? 0.28087   7.58149  13.05497  1.000 9.96082   ? 52  SER A CB  1 
ATOM   392  O OG  . SER A 1 52 ? 1.17073   6.52774  12.73461  1.000 10.02708  ? 52  SER A OG  1 
ATOM   393  N N   . TRP A 1 53 ? -1.76028  7.42539  10.70665  1.000 10.06841  ? 53  TRP A N   1 
ATOM   394  C CA  . TRP A 1 53 ? -2.06359  7.00867  9.34482   1.000 9.27571   ? 53  TRP A CA  1 
ATOM   395  C C   . TRP A 1 53 ? -1.53916  8.05596  8.38099   1.000 9.48389   ? 53  TRP A C   1 
ATOM   396  O O   . TRP A 1 53 ? -1.42550  9.23537  8.71894   1.000 10.30160  ? 53  TRP A O   1 
ATOM   397  C CB  . TRP A 1 53 ? -3.57069  6.79099  9.10663   1.000 10.42640  ? 53  TRP A CB  1 
ATOM   398  C CG  . TRP A 1 53 ? -4.38498  8.03693  9.25718   1.000 10.35585  ? 53  TRP A CG  1 
ATOM   399  C CD1 . TRP A 1 53 ? -4.78674  8.88740  8.26784   1.000 10.80377  ? 53  TRP A CD1 1 
ATOM   400  C CD2 . TRP A 1 53 ? -4.88292  8.58836  10.48047  1.000 9.72136   ? 53  TRP A CD2 1 
ATOM   401  N NE1 . TRP A 1 53 ? -5.49830  9.93020  8.79213   1.000 11.07376  ? 53  TRP A NE1 1 
ATOM   402  C CE2 . TRP A 1 53 ? -5.57460  9.77270  10.15014  1.000 10.15192  ? 53  TRP A CE2 1 
ATOM   403  C CE3 . TRP A 1 53 ? -4.82491  8.19299  11.82363  1.000 9.67363   ? 53  TRP A CE3 1 
ATOM   404  C CZ2 . TRP A 1 53 ? -6.17874  10.57761 11.10968  1.000 11.62927  ? 53  TRP A CZ2 1 
ATOM   405  C CZ3 . TRP A 1 53 ? -5.43624  8.98512  12.76803  1.000 10.30768  ? 53  TRP A CZ3 1 
ATOM   406  C CH2 . TRP A 1 53 ? -6.10322  10.16249 12.41073  1.000 11.49416  ? 53  TRP A CH2 1 
ATOM   407  N N   . LEU A 1 54 ? -1.22859  7.61066  7.17195   1.000 10.54723  ? 54  LEU A N   1 
ATOM   408  C CA  . LEU A 1 54 ? -0.81167  8.49682  6.09693   1.000 11.38106  ? 54  LEU A CA  1 
ATOM   409  C C   . LEU A 1 54 ? -1.98205  8.81119  5.17773   1.000 12.42579  ? 54  LEU A C   1 
ATOM   410  O O   . LEU A 1 54 ? -2.81103  7.94654  4.88426   1.000 13.00259  ? 54  LEU A O   1 
ATOM   411  C CB  . LEU A 1 54 ? 0.28516   7.83679  5.26214   1.000 11.11454  ? 54  LEU A CB  1 
ATOM   412  C CG  . LEU A 1 54 ? 1.66516   7.77588  5.91006   1.000 12.43841  ? 54  LEU A CG  1 
ATOM   413  C CD1 . LEU A 1 54 ? 2.55359   6.78236  5.17871   1.000 15.38116  ? 54  LEU A CD1 1 
ATOM   414  C CD2 . LEU A 1 54 ? 2.32189   9.14254  5.94083   1.000 14.04871  ? 54  LEU A CD2 1 
ATOM   415  N N   . VAL A 1 55 ? -2.03880  10.05805 4.72399   1.000 12.46905  ? 55  VAL A N   1 
ATOM   416  C CA  . VAL A 1 55 ? -2.86818  10.45367 3.59282   1.000 13.65984  ? 55  VAL A CA  1 
ATOM   417  C C   . VAL A 1 55 ? -1.87516  10.99014 2.57214   1.000 14.47030  ? 55  VAL A C   1 
ATOM   418  O O   . VAL A 1 55 ? -1.33565  12.08762 2.74104   1.000 15.48028  ? 55  VAL A O   1 
ATOM   419  C CB  . VAL A 1 55 ? -3.91623  11.50390 3.97297   1.000 13.87254  ? 55  VAL A CB  1 
ATOM   420  C CG1 . VAL A 1 55 ? -4.75666  11.88699 2.75171   1.000 16.95862  ? 55  VAL A CG1 1 
ATOM   421  C CG2 . VAL A 1 55 ? -4.80418  10.97911 5.10909   1.000 13.92177  ? 55  VAL A CG2 1 
ATOM   422  N N   . GLY A 1 56 ? -1.59420  10.20886 1.53916   1.000 15.60991  ? 56  GLY A N   1 
ATOM   423  C CA  . GLY A 1 56 ? -0.49034  10.56551 0.65977   1.000 18.64364  ? 56  GLY A CA  1 
ATOM   424  C C   . GLY A 1 56 ? 0.80953   10.58703 1.44549   1.000 20.06686  ? 56  GLY A C   1 
ATOM   425  O O   . GLY A 1 56 ? 1.18973   9.59840  2.08799   1.000 21.96486  ? 56  GLY A O   1 
ATOM   426  N N   . SER A 1 57 ? 1.49549   11.72798 1.42779   1.000 17.99077  ? 57  SER A N   1 
ATOM   427  C CA  . SER A 1 57 ? 2.75496   11.87781 2.14946   1.000 17.84649  ? 57  SER A CA  1 
ATOM   428  C C   . SER A 1 57 ? 2.58700   12.46486 3.54780   1.000 18.67259  ? 57  SER A C   1 
ATOM   429  O O   . SER A 1 57 ? 3.57520   12.56064 4.28260   1.000 18.37648  ? 57  SER A O   1 
ATOM   430  C CB  . SER A 1 57 ? 3.72061   12.76593 1.35046   1.000 24.49549  ? 57  SER A CB  1 
ATOM   431  O OG  . SER A 1 57 ? 3.14062   14.02923 1.07430   1.000 31.89072  ? 57  SER A OG  1 
ATOM   432  N N   . ALA A 1 58 ? 1.37647   12.86230 3.92584   1.000 15.62693  ? 58  ALA A N   1 
ATOM   433  C CA  . ALA A 1 58 ? 1.14132   13.59191 5.16486   1.000 15.76944  ? 58  ALA A CA  1 
ATOM   434  C C   . ALA A 1 58 ? 0.78158   12.62136 6.28724   1.000 12.48735  ? 58  ALA A C   1 
ATOM   435  O O   . ALA A 1 58 ? -0.17144  11.84542 6.15948   1.000 12.81991  ? 58  ALA A O   1 
ATOM   436  C CB  . ALA A 1 58 ? 0.00116   14.58354 4.95244   1.000 16.87258  ? 58  ALA A CB  1 
ATOM   437  N N   . ILE A 1 59 ? 1.53835   12.67374 7.37959   1.000 13.64305  ? 59  ILE A N   1 
ATOM   438  C CA  . ILE A 1 59 ? 1.24340   11.85740 8.55288   1.000 10.44990  ? 59  ILE A CA  1 
ATOM   439  C C   . ILE A 1 59 ? 0.19207   12.54493 9.41164   1.000 11.20658  ? 59  ILE A C   1 
ATOM   440  O O   . ILE A 1 59 ? 0.16826   13.77758 9.55882   1.000 12.68755  ? 59  ILE A O   1 
ATOM   441  C CB  . ILE A 1 59 ? 2.52399   11.55535 9.35781   1.000 12.04565  ? 59  ILE A CB  1 
ATOM   442  C CG1 . ILE A 1 59 ? 2.25998   10.48389 10.42637  1.000 11.95411  ? 59  ILE A CG1 1 
ATOM   443  C CG2 . ILE A 1 59 ? 3.09497   12.82207 9.99343   1.000 13.88370  ? 59  ILE A CG2 1 
ATOM   444  C CD1 . ILE A 1 59 ? 1.85575   9.11830  9.86807   1.000 11.76904  ? 59  ILE A CD1 1 
ATOM   445  N N   . HIS A 1 60 ? -0.66787  11.72707 10.01275  1.000 10.16949  ? 60  HIS A N   1 
ATOM   446  C CA  . HIS A 1 60 ? -1.64472  12.15993 10.99659  1.000 11.29120  ? 60  HIS A CA  1 
ATOM   447  C C   . HIS A 1 60 ? -1.48211  11.25584 12.20081  1.000 9.60192   ? 60  HIS A C   1 
ATOM   448  O O   . HIS A 1 60 ? -1.46670  10.03092 12.04807  1.000 10.57748  ? 60  HIS A O   1 
ATOM   449  C CB  . HIS A 1 60 ? -3.04564  12.02485 10.40719  1.000 10.98773  ? 60  HIS A CB  1 
ATOM   450  C CG  . HIS A 1 60 ? -3.24320  12.87163 9.19417   1.000 12.12789  ? 60  HIS A CG  1 
ATOM   451  N ND1 . HIS A 1 60 ? -3.75905  14.14834 9.25813   1.000 12.14193  ? 60  HIS A ND1 1 
ATOM   452  C CD2 . HIS A 1 60 ? -2.92512  12.65475 7.89748   1.000 13.67427  ? 60  HIS A CD2 1 
ATOM   453  C CE1 . HIS A 1 60 ? -3.78296  14.66938 8.04194   1.000 13.22971  ? 60  HIS A CE1 1 
ATOM   454  N NE2 . HIS A 1 60 ? -3.27823  13.78602 7.19893   1.000 14.05431  ? 60  HIS A NE2 1 
ATOM   455  N N   . ILE A 1 61 ? -1.31020  11.85446 13.37736  1.000 10.19929  ? 61  ILE A N   1 
ATOM   456  C CA  . ILE A 1 61 ? -1.05672  11.11396 14.60708  1.000 10.11565  ? 61  ILE A CA  1 
ATOM   457  C C   . ILE A 1 61 ? -2.15580  11.44187 15.59901  1.000 10.01255  ? 61  ILE A C   1 
ATOM   458  O O   . ILE A 1 61 ? -2.56623  12.60161 15.71500  1.000 10.38942  ? 61  ILE A O   1 
ATOM   459  C CB  . ILE A 1 61 ? 0.31889   11.45693 15.21615  1.000 10.25288  ? 61  ILE A CB  1 
ATOM   460  C CG1 . ILE A 1 61 ? 1.42905   11.42311 14.16567  1.000 11.30152  ? 61  ILE A CG1 1 
ATOM   461  C CG2 . ILE A 1 61 ? 0.64145   10.51710 16.36730  1.000 10.81418  ? 61  ILE A CG2 1 
ATOM   462  C CD1 . ILE A 1 61 ? 2.73640   12.02858 14.65391  1.000 12.38899  ? 61  ILE A CD1 1 
ATOM   463  N N   . ARG A 1 62 ? -2.62318  10.43175 16.32390  1.000 9.82219   ? 62  ARG A N   1 
ATOM   464  C CA  . ARG A 1 62 ? -3.55433  10.64114 17.42717  1.000 10.21517  ? 62  ARG A CA  1 
ATOM   465  C C   . ARG A 1 62 ? -2.97888  9.98579  18.66834  1.000 9.12635   ? 62  ARG A C   1 
ATOM   466  O O   . ARG A 1 62 ? -2.70293  8.77940  18.66433  1.000 9.47458   ? 62  ARG A O   1 
ATOM   467  C CB  . ARG A 1 62 ? -4.93356  10.06009 17.11895  1.000 10.26599  ? 62  ARG A CB  1 
ATOM   468  C CG  . ARG A 1 62 ? -5.60466  10.70188 15.91464  1.000 9.97809   ? 62  ARG A CG  1 
ATOM   469  C CD  . ARG A 1 62 ? -5.92354  12.17730 16.15233  1.000 11.33720  ? 62  ARG A CD  1 
ATOM   470  N NE  . ARG A 1 62 ? -6.61894  12.78022 15.01028  1.000 11.99421  ? 62  ARG A NE  1 
ATOM   471  C CZ  . ARG A 1 62 ? -6.01365  13.37670 13.98844  1.000 11.62372  ? 62  ARG A CZ  1 
ATOM   472  N NH1 . ARG A 1 62 ? -4.68765  13.46879 13.94409  1.000 11.96990  ? 62  ARG A NH1 1 
ATOM   473  N NH2 . ARG A 1 62 ? -6.73823  13.88597 13.00107  1.000 12.01816  ? 62  ARG A NH2 1 
ATOM   474  N N   . VAL A 1 63 ? -2.83229  10.77752 19.73324  1.000 9.47842   ? 63  VAL A N   1 
ATOM   475  C CA  . VAL A 1 63 ? -2.31264  10.32448 21.01757  1.000 10.64281  ? 63  VAL A CA  1 
ATOM   476  C C   . VAL A 1 63 ? -3.44635  10.40491 22.03265  1.000 10.08939  ? 63  VAL A C   1 
ATOM   477  O O   . VAL A 1 63 ? -4.12433  11.43703 22.12911  1.000 11.88904  ? 63  VAL A O   1 
ATOM   478  C CB  . VAL A 1 63 ? -1.11999  11.19175 21.46180  1.000 10.73428  ? 63  VAL A CB  1 
ATOM   479  C CG1 . VAL A 1 63 ? -0.67803  10.81664 22.86613  1.000 12.92393  ? 63  VAL A CG1 1 
ATOM   480  C CG2 . VAL A 1 63 ? 0.04050   11.04168 20.48836  1.000 12.02249  ? 63  VAL A CG2 1 
ATOM   481  N N   . TYR A 1 64 ? -3.65879  9.32468  22.77515  1.000 10.18038  ? 64  TYR A N   1 
ATOM   482  C CA  . TYR A 1 64 ? -4.70875  9.24301  23.78789  1.000 10.54924  ? 64  TYR A CA  1 
ATOM   483  C C   . TYR A 1 64 ? -4.03426  9.24864  25.15432  1.000 10.89656  ? 64  TYR A C   1 
ATOM   484  O O   . TYR A 1 64 ? -3.35731  8.28631  25.51901  1.000 11.20616  ? 64  TYR A O   1 
ATOM   485  C CB  . TYR A 1 64 ? -5.60828  8.02331  23.55273  1.000 11.85012  ? 64  TYR A CB  1 
ATOM   486  C CG  . TYR A 1 64 ? -6.24659  8.13541  22.18368  1.000 9.61453   ? 64  TYR A CG  1 
ATOM   487  C CD1 . TYR A 1 64 ? -7.40775  8.87396  21.99785  1.000 10.85398  ? 64  TYR A CD1 1 
ATOM   488  C CD2 . TYR A 1 64 ? -5.63093  7.60063  21.06050  1.000 10.53955  ? 64  TYR A CD2 1 
ATOM   489  C CE1 . TYR A 1 64 ? -7.95944  9.04131  20.73565  1.000 11.15827  ? 64  TYR A CE1 1 
ATOM   490  C CE2 . TYR A 1 64 ? -6.17199  7.76979  19.80340  1.000 9.62694   ? 64  TYR A CE2 1 
ATOM   491  C CZ  . TYR A 1 64 ? -7.32315  8.49751  19.63022  1.000 9.69524   ? 64  TYR A CZ  1 
ATOM   492  O OH  . TYR A 1 64 ? -7.84820  8.67963  18.37345  1.000 10.97242  ? 64  TYR A OH  1 
ATOM   493  N N   . ALA A 1 65 ? -4.20537  10.35002 25.88826  1.000 11.72680  ? 65  ALA A N   1 
ATOM   494  C CA  . ALA A 1 65 ? -3.55801  10.58083 27.17571  1.000 12.20081  ? 65  ALA A CA  1 
ATOM   495  C C   . ALA A 1 65 ? -4.59848  10.46900 28.28184  1.000 13.08892  ? 65  ALA A C   1 
ATOM   496  O O   . ALA A 1 65 ? -5.64186  11.12534 28.21893  1.000 14.09889  ? 65  ALA A O   1 
ATOM   497  C CB  . ALA A 1 65 ? -2.94835  11.98182 27.20390  1.000 13.94207  ? 65  ALA A CB  1 
ATOM   498  N N   . SER A 1 66 ? -4.32689  9.63786  29.28124  1.000 12.87647  ? 66  SER A N   1 
ATOM   499  C CA  . SER A 1 66 ? -5.30381  9.38350  30.33410  1.000 13.01324  ? 66  SER A CA  1 
ATOM   500  C C   . SER A 1 66 ? -4.75479  9.74140  31.70693  1.000 15.19662  ? 66  SER A C   1 
ATOM   501  O O   . SER A 1 66 ? -3.62532  9.37324  32.04922  1.000 16.03860  ? 66  SER A O   1 
ATOM   502  C CB  . SER A 1 66 ? -5.76906  7.93204  30.34072  1.000 14.22803  ? 66  SER A CB  1 
ATOM   503  O OG  . SER A 1 66 ? -6.40657  7.61363  29.11562  1.000 14.74204  ? 66  SER A OG  1 
ATOM   504  N N   . THR A 1 67 ? -5.57888  10.44882 32.48075  1.000 16.31132  ? 67  THR A N   1 
ATOM   505  C CA  . THR A 1 67 ? -5.38112  10.68899 33.90472  1.000 16.41774  ? 67  THR A CA  1 
ATOM   506  C C   . THR A 1 67 ? -6.68822  10.34730 34.59521  1.000 17.22322  ? 67  THR A C   1 
ATOM   507  O O   . THR A 1 67 ? -7.73722  10.87696 34.22330  1.000 18.27466  ? 67  THR A O   1 
ATOM   508  C CB  . THR A 1 67 ? -5.06831  12.16576 34.16784  1.000 21.78906  ? 67  THR A CB  1 
ATOM   509  O OG1 . THR A 1 67 ? -3.93272  12.57280 33.39796  1.000 21.52106  ? 67  THR A OG1 1 
ATOM   510  C CG2 . THR A 1 67 ? -4.77733  12.39255 35.64660  1.000 20.62850  ? 67  THR A CG2 1 
ATOM   511  N N   . GLY A 1 68 ? -6.62605  9.47900  35.59883  1.000 20.24187  ? 68  GLY A N   1 
ATOM   512  C CA  . GLY A 1 68 ? -7.86262  9.01209  36.20909  1.000 20.97397  ? 68  GLY A CA  1 
ATOM   513  C C   . GLY A 1 68 ? -8.72635  8.33559  35.15983  1.000 24.26630  ? 68  GLY A C   1 
ATOM   514  O O   . GLY A 1 68 ? -8.25651  7.49305  34.38585  1.000 21.92909  ? 68  GLY A O   1 
ATOM   515  N N   . THR A 1 69 ? -9.99840  8.72280  35.09573  1.000 19.19150  ? 69  THR A N   1 
ATOM   516  C CA  . THR A 1 69 ? -10.91556 8.18833  34.09818  1.000 22.13979  ? 69  THR A CA  1 
ATOM   517  C C   . THR A 1 69 ? -11.10466 9.12220  32.91132  1.000 20.10899  ? 69  THR A C   1 
ATOM   518  O O   . THR A 1 69 ? -12.01362 8.90306  32.10636  1.000 25.24292  ? 69  THR A O   1 
ATOM   519  C CB  . THR A 1 69 ? -12.27616 7.87142  34.72206  1.000 26.55364  ? 69  THR A CB  1 
ATOM   520  O OG1 . THR A 1 69 ? -12.76147 9.02872  35.41011  1.000 28.66422  ? 69  THR A OG1 1 
ATOM   521  C CG2 . THR A 1 69 ? -12.16340 6.71248  35.70249  1.000 35.01266  ? 69  THR A CG2 1 
ATOM   522  N N   . THR A 1 70 ? -10.28043 10.15792 32.78588  1.000 17.67587  ? 70  THR A N   1 
ATOM   523  C CA  . THR A 1 70 ? -10.40411 11.12669 31.70550  1.000 17.89495  ? 70  THR A CA  1 
ATOM   524  C C   . THR A 1 70 ? -9.31835  10.86883 30.66694  1.000 16.18207  ? 70  THR A C   1 
ATOM   525  O O   . THR A 1 70 ? -8.12744  10.88955 30.99004  1.000 18.28482  ? 70  THR A O   1 
ATOM   526  C CB  . THR A 1 70 ? -10.28925 12.55232 32.23981  1.000 20.82123  ? 70  THR A CB  1 
ATOM   527  O OG1 . THR A 1 70 ? -11.21708 12.73184 33.31602  1.000 24.39558  ? 70  THR A OG1 1 
ATOM   528  C CG2 . THR A 1 70 ? -10.60051 13.55814 31.13969  1.000 24.94509  ? 70  THR A CG2 1 
ATOM   529  N N   . THR A 1 71 ? -9.73207  10.62816 29.42860  1.000 15.25404  ? 71  THR A N   1 
ATOM   530  C CA  . THR A 1 71 ? -8.81927  10.43181 28.31150  1.000 12.91289  ? 71  THR A CA  1 
ATOM   531  C C   . THR A 1 71 ? -8.98556  11.59811 27.35390  1.000 12.98185  ? 71  THR A C   1 
ATOM   532  O O   . THR A 1 71 ? -10.10626 11.90149 26.93124  1.000 17.76378  ? 71  THR A O   1 
ATOM   533  C CB  . THR A 1 71 ? -9.16420  9.13170  27.58568  1.000 14.97576  ? 71  THR A CB  1 
ATOM   534  O OG1 . THR A 1 71 ? -8.98634  8.02691  28.47251  1.000 16.78314  ? 71  THR A OG1 1 
ATOM   535  C CG2 . THR A 1 71 ? -8.28794  8.94049  26.34231  1.000 13.62166  ? 71  THR A CG2 1 
ATOM   536  N N   . THR A 1 72 ? -7.87760  12.24937 27.01887  1.000 13.33662  ? 72  THR A N   1 
ATOM   537  C CA  . THR A 1 72 ? -7.85753  13.37333 26.09463  1.000 13.01791  ? 72  THR A CA  1 
ATOM   538  C C   . THR A 1 72 ? -7.12437  12.94114 24.83489  1.000 11.86891  ? 72  THR A C   1 
ATOM   539  O O   . THR A 1 72 ? -6.04742  12.33814 24.92245  1.000 12.76597  ? 72  THR A O   1 
ATOM   540  C CB  . THR A 1 72 ? -7.11691  14.56219 26.72102  1.000 13.50442  ? 72  THR A CB  1 
ATOM   541  O OG1 . THR A 1 72 ? -7.72493  14.90634 27.97610  1.000 14.80342  ? 72  THR A OG1 1 
ATOM   542  C CG2 . THR A 1 72 ? -7.14808  15.77084 25.80913  1.000 15.64617  ? 72  THR A CG2 1 
ATOM   543  N N   . GLU A 1 73 ? -7.70456  13.24701 23.68261  1.000 11.94446  ? 73  GLU A N   1 
ATOM   544  C CA  . GLU A 1 73 ? -7.07696  12.97246 22.39868  1.000 10.99055  ? 73  GLU A CA  1 
ATOM   545  C C   . GLU A 1 73 ? -6.32270  14.20409 21.92744  1.000 11.31990  ? 73  GLU A C   1 
ATOM   546  O O   . GLU A 1 73 ? -6.86341  15.31546 21.95933  1.000 13.03435  ? 73  GLU A O   1 
ATOM   547  C CB  . GLU A 1 73 ? -8.15133  12.61942 21.37089  1.000 12.29619  ? 73  GLU A CB  1 
ATOM   548  C CG  . GLU A 1 73 ? -7.64196  12.36805 19.95488  1.000 11.59278  ? 73  GLU A CG  1 
ATOM   549  C CD  . GLU A 1 73 ? -8.77255  12.23080 18.94786  1.000 12.10403  ? 73  GLU A CD  1 
ATOM   550  O OE1 . GLU A 1 73 ? -9.68526  13.09703 18.97452  1.000 12.57362  ? 73  GLU A OE1 1 
ATOM   551  O OE2 . GLU A 1 73 ? -8.74941  11.26765 18.13402  1.000 11.32481  ? 73  GLU A OE2 1 
ATOM   552  N N   . TRP A 1 74 ? -5.09233  13.99965 21.46492  1.000 10.90760  ? 74  TRP A N   1 
ATOM   553  C CA  . TRP A 1 74 ? -4.25715  15.05056 20.90661  1.000 12.25855  ? 74  TRP A CA  1 
ATOM   554  C C   . TRP A 1 74 ? -3.94544  14.68869 19.46058  1.000 11.45301  ? 74  TRP A C   1 
ATOM   555  O O   . TRP A 1 74 ? -3.65079  13.52697 19.15208  1.000 11.53201  ? 74  TRP A O   1 
ATOM   556  C CB  . TRP A 1 74 ? -2.97316  15.17377 21.74212  1.000 11.54622  ? 74  TRP A CB  1 
ATOM   557  C CG  . TRP A 1 74 ? -3.25316  15.72875 23.09314  1.000 12.69628  ? 74  TRP A CG  1 
ATOM   558  C CD1 . TRP A 1 74 ? -3.29497  15.05251 24.27262  1.000 12.80319  ? 74  TRP A CD1 1 
ATOM   559  C CD2 . TRP A 1 74 ? -3.57992  17.08380 23.39501  1.000 13.08802  ? 74  TRP A CD2 1 
ATOM   560  N NE1 . TRP A 1 74 ? -3.61989  15.91162 25.30478  1.000 13.10915  ? 74  TRP A NE1 1 
ATOM   561  C CE2 . TRP A 1 74 ? -3.79853  17.16524 24.78287  1.000 13.69651  ? 74  TRP A CE2 1 
ATOM   562  C CE3 . TRP A 1 74 ? -3.70458  18.23905 22.62573  1.000 13.26755  ? 74  TRP A CE3 1 
ATOM   563  C CZ2 . TRP A 1 74 ? -4.13340  18.36632 25.41823  1.000 15.09626  ? 74  TRP A CZ2 1 
ATOM   564  C CZ3 . TRP A 1 74 ? -4.03922  19.43002 23.25481  1.000 18.11883  ? 74  TRP A CZ3 1 
ATOM   565  C CH2 . TRP A 1 74 ? -4.24550  19.48147 24.63540  1.000 17.53739  ? 74  TRP A CH2 1 
ATOM   566  N N   . CYS A 1 75 ? -4.02756  15.66946 18.56833  1.000 12.02699  ? 75  CYS A N   1 
ATOM   567  C CA  . CYS A 1 75 ? -3.96097  15.43736 17.13297  1.000 11.67100  ? 75  CYS A CA  1 
ATOM   568  C C   . CYS A 1 75 ? -2.77607  16.16931 16.53714  1.000 12.17146  ? 75  CYS A C   1 
ATOM   569  O O   . CYS A 1 75 ? -2.60070  17.37393 16.76883  1.000 14.19241  ? 75  CYS A O   1 
ATOM   570  C CB  . CYS A 1 75 ? -5.23095  15.94374 16.44732  1.000 13.68021  ? 75  CYS A CB  1 
ATOM   571  S SG  . CYS A 1 75 ? -6.76603  15.41384 17.20537  1.000 13.59117  ? 75  CYS A SG  1 
ATOM   572  N N   . TRP A 1 76 ? -2.00769  15.46250 15.71878  1.000 12.20099  ? 76  TRP A N   1 
ATOM   573  C CA  . TRP A 1 76 ? -1.00062  16.07187 14.86898  1.000 13.07897  ? 76  TRP A CA  1 
ATOM   574  C C   . TRP A 1 76 ? -1.42824  15.86180 13.42967  1.000 12.85561  ? 76  TRP A C   1 
ATOM   575  O O   . TRP A 1 76 ? -1.57519  14.71896 12.98120  1.000 13.09573  ? 76  TRP A O   1 
ATOM   576  C CB  . TRP A 1 76 ? 0.37874   15.45472 15.08323  1.000 12.61426  ? 76  TRP A CB  1 
ATOM   577  C CG  . TRP A 1 76 ? 1.37838   16.05080 14.15120  1.000 14.82115  ? 76  TRP A CG  1 
ATOM   578  C CD1 . TRP A 1 76 ? 1.68497   15.63662 12.88438  1.000 16.67506  ? 76  TRP A CD1 1 
ATOM   579  C CD2 . TRP A 1 76 ? 2.16836   17.20988 14.39669  1.000 15.04259  ? 76  TRP A CD2 1 
ATOM   580  N NE1 . TRP A 1 76 ? 2.63694   16.46364 12.33371  1.000 16.62800  ? 76  TRP A NE1 1 
ATOM   581  C CE2 . TRP A 1 76 ? 2.95056   17.43918 13.24445  1.000 15.49080  ? 76  TRP A CE2 1 
ATOM   582  C CE3 . TRP A 1 76 ? 2.30645   18.06523 15.48844  1.000 14.51325  ? 76  TRP A CE3 1 
ATOM   583  C CZ2 . TRP A 1 76 ? 3.85548   18.49373 13.15527  1.000 16.61174  ? 76  TRP A CZ2 1 
ATOM   584  C CZ3 . TRP A 1 76 ? 3.20402   19.11018 15.39840  1.000 19.47721  ? 76  TRP A CZ3 1 
ATOM   585  C CH2 . TRP A 1 76 ? 3.96386   19.32006 14.24003  1.000 16.47394  ? 76  TRP A CH2 1 
ATOM   586  N N   . ASP A 1 77 ? -1.61812  16.96173 12.71008  1.000 13.39338  ? 77  ASP A N   1 
ATOM   587  C CA  . ASP A 1 77 ? -2.00610  16.93333 11.31128  1.000 14.29816  ? 77  ASP A CA  1 
ATOM   588  C C   . ASP A 1 77 ? -1.10782  17.85096 10.50054  1.000 15.98318  ? 77  ASP A C   1 
ATOM   589  O O   . ASP A 1 77 ? -1.52858  18.39645 9.47845   1.000 18.28708  ? 77  ASP A O   1 
ATOM   590  C CB  . ASP A 1 77 ? -3.48105  17.28887 11.14235  1.000 15.48117  ? 77  ASP A CB  1 
ATOM   591  C CG  . ASP A 1 77 ? -4.38427  16.37069 11.93958  1.000 15.15101  ? 77  ASP A CG  1 
ATOM   592  O OD1 . ASP A 1 77 ? -4.54775  15.19775 11.55433  1.000 14.79225  ? 77  ASP A OD1 1 
ATOM   593  O OD2 . ASP A 1 77 ? -4.90954  16.81270 12.97670  1.000 18.66383  ? 77  ASP A OD2 1 
ATOM   594  N N   . GLY A 1 78 ? 0.13423   18.02070 10.94891  1.000 15.49457  ? 78  GLY A N   1 
ATOM   595  C CA  . GLY A 1 78 ? 1.11540   18.83330 10.26504  1.000 16.81020  ? 78  GLY A CA  1 
ATOM   596  C C   . GLY A 1 78 ? 1.34054   20.20475 10.86658  1.000 17.59806  ? 78  GLY A C   1 
ATOM   597  O O   . GLY A 1 78 ? 2.32669   20.85996 10.50478  1.000 22.61724  ? 78  GLY A O   1 
ATOM   598  N N   . ASN A 1 79 ? 0.47856   20.65168 11.77918  1.000 17.19065  ? 79  ASN A N   1 
ATOM   599  C CA  . ASN A 1 79 ? 0.45289   22.05375 12.19630  1.000 20.94231  ? 79  ASN A CA  1 
ATOM   600  C C   . ASN A 1 79 ? 0.33066   22.20530 13.70467  1.000 23.18617  ? 79  ASN A C   1 
ATOM   601  O O   . ASN A 1 79 ? -0.43326  23.03968 14.19909  1.000 22.94666  ? 79  ASN A O   1 
ATOM   602  C CB  . ASN A 1 79 ? -0.66869  22.82703 11.50147  1.000 28.01049  ? 79  ASN A CB  1 
ATOM   603  C CG  . ASN A 1 79 ? -0.79542  22.48683 10.03120  1.000 27.58494  ? 79  ASN A CG  1 
ATOM   604  O OD1 . ASN A 1 79 ? 0.04737   22.87434 9.22506   1.000 33.99756  ? 79  ASN A OD1 1 
ATOM   605  N ND2 . ASN A 1 79 ? -1.86722  21.78425 9.67001   1.000 32.80380  ? 79  ASN A ND2 1 
ATOM   606  N N   . GLY A 1 80 ? 1.08573   21.43271 14.46743  1.000 18.28116  ? 80  GLY A N   1 
ATOM   607  C CA  . GLY A 1 80 ? 1.01199   21.53759 15.90818  1.000 19.89796  ? 80  GLY A CA  1 
ATOM   608  C C   . GLY A 1 80 ? -0.03127  20.60831 16.50412  1.000 15.32417  ? 80  GLY A C   1 
ATOM   609  O O   . GLY A 1 80 ? -0.91837  20.09516 15.82307  1.000 17.76938  ? 80  GLY A O   1 
ATOM   610  N N   . TRP A 1 81 ? 0.09090   20.38935 17.80437  1.000 16.49716  ? 81  TRP A N   1 
ATOM   611  C CA  . TRP A 1 81 ? -0.75822  19.44121 18.51232  1.000 15.34770  ? 81  TRP A CA  1 
ATOM   612  C C   . TRP A 1 81 ? -2.03149  20.12523 18.99876  1.000 15.83302  ? 81  TRP A C   1 
ATOM   613  O O   . TRP A 1 81 ? -1.97232  21.02772 19.84387  1.000 19.68389  ? 81  TRP A O   1 
ATOM   614  C CB  . TRP A 1 81 ? 0.00164   18.85073 19.69136  1.000 14.54671  ? 81  TRP A CB  1 
ATOM   615  C CG  . TRP A 1 81 ? 1.05593   17.89019 19.26994  1.000 13.49142  ? 81  TRP A CG  1 
ATOM   616  C CD1 . TRP A 1 81 ? 2.38513   18.14140 19.11547  1.000 13.77397  ? 81  TRP A CD1 1 
ATOM   617  C CD2 . TRP A 1 81 ? 0.86424   16.51054 18.93591  1.000 13.00313  ? 81  TRP A CD2 1 
ATOM   618  N NE1 . TRP A 1 81 ? 3.04120   16.99840 18.72248  1.000 13.22281  ? 81  TRP A NE1 1 
ATOM   619  C CE2 . TRP A 1 81 ? 2.12690   15.98337 18.60161  1.000 11.97102  ? 81  TRP A CE2 1 
ATOM   620  C CE3 . TRP A 1 81 ? -0.25460  15.66500 18.90143  1.000 12.98880  ? 81  TRP A CE3 1 
ATOM   621  C CZ2 . TRP A 1 81 ? 2.30531   14.64970 18.24417  1.000 11.12724  ? 81  TRP A CZ2 1 
ATOM   622  C CZ3 . TRP A 1 81 ? -0.07431  14.34158 18.55481  1.000 12.05779  ? 81  TRP A CZ3 1 
ATOM   623  C CH2 . TRP A 1 81 ? 1.19248   13.84500 18.23372  1.000 11.76286  ? 81  TRP A CH2 1 
ATOM   624  N N   . THR A 1 82 ? -3.18045  19.66443 18.50542  1.000 16.10865  ? 82  THR A N   1 
ATOM   625  C CA  . THR A 1 82 ? -4.47423  20.24824 18.82663  1.000 17.28854  ? 82  THR A CA  1 
ATOM   626  C C   . THR A 1 82 ? -5.34491  19.22394 19.54013  1.000 16.17911  ? 82  THR A C   1 
ATOM   627  O O   . THR A 1 82 ? -5.21033  18.01668 19.32300  1.000 15.24430  ? 82  THR A O   1 
ATOM   628  C CB  . THR A 1 82 ? -5.19562  20.71591 17.54766  1.000 17.09296  ? 82  THR A CB  1 
ATOM   629  O OG1 . THR A 1 82 ? -5.50719  19.58280 16.72174  1.000 19.13126  ? 82  THR A OG1 1 
ATOM   630  C CG2 . THR A 1 82 ? -4.32579  21.69130 16.76628  1.000 21.07111  ? 82  THR A CG2 1 
ATOM   631  N N   . LYS A 1 83 ? -6.26162  19.70569 20.37614  1.000 15.75787  ? 83  LYS A N   1 
ATOM   632  C CA  . LYS A 1 83 ? -7.14846  18.79877 21.08638  1.000 14.90618  ? 83  LYS A CA  1 
ATOM   633  C C   . LYS A 1 83 ? -8.18531  18.21057 20.14040  1.000 16.66549  ? 83  LYS A C   1 
ATOM   634  O O   . LYS A 1 83 ? -8.80589  18.92804 19.35195  1.000 19.28552  ? 83  LYS A O   1 
ATOM   635  C CB  . LYS A 1 83 ? -7.82825  19.52598 22.24204  1.000 20.70128  ? 83  LYS A CB  1 
ATOM   636  C CG  . LYS A 1 83 ? -8.27230  18.60774 23.36589  1.000 21.15612  ? 83  LYS A CG  1 
ATOM   637  C CD  . LYS A 1 83 ? -9.07540  19.37312 24.39519  1.000 28.76309  ? 83  LYS A CD  1 
ATOM   638  C CE  . LYS A 1 83 ? -8.15363  19.99281 25.42642  1.000 28.13606  ? 83  LYS A CE  1 
ATOM   639  N NZ  . LYS A 1 83 ? -8.86311  20.30921 26.69455  1.000 41.06838  ? 83  LYS A NZ  1 
ATOM   640  N N   . GLY A 1 84 ? -8.36382  16.88884 20.21432  1.000 15.78846  ? 84  GLY A N   1 
ATOM   641  C CA  . GLY A 1 84 ? -9.33186  16.20928 19.37957  1.000 14.69374  ? 84  GLY A CA  1 
ATOM   642  C C   . GLY A 1 84 ? -10.70585 16.12148 20.01058  1.000 14.14182  ? 84  GLY A C   1 
ATOM   643  O O   . GLY A 1 84 ? -10.90289 16.41191 21.18803  1.000 15.64716  ? 84  GLY A O   1 
ATOM   644  N N   . ALA A 1 85 ? -11.66544 15.68088 19.19523  1.000 14.16037  ? 85  ALA A N   1 
ATOM   645  C CA  . ALA A 1 85 ? -13.05704 15.58139 19.61786  1.000 15.03918  ? 85  ALA A CA  1 
ATOM   646  C C   . ALA A 1 85 ? -13.35497 14.34137 20.45667  1.000 15.08335  ? 85  ALA A C   1 
ATOM   647  O O   . ALA A 1 85 ? -14.46116 14.24029 21.00505  1.000 15.18057  ? 85  ALA A O   1 
ATOM   648  C CB  . ALA A 1 85 ? -13.97976 15.62210 18.39733  1.000 16.23785  ? 85  ALA A CB  1 
ATOM   649  N N   . TYR A 1 86 ? -12.41075 13.40512 20.59202  1.000 12.93462  ? 86  TYR A N   1 
ATOM   650  C CA  . TYR A 1 86 ? -12.66220 12.17866 21.34416  1.000 12.77681  ? 86  TYR A CA  1 
ATOM   651  C C   . TYR A 1 86 ? -13.26458 12.46308 22.71118  1.000 14.32325  ? 86  TYR A C   1 
ATOM   652  O O   . TYR A 1 86 ? -12.77837 13.31776 23.46159  1.000 14.65905  ? 86  TYR A O   1 
ATOM   653  C CB  . TYR A 1 86 ? -11.36533 11.39464 21.54475  1.000 12.06186  ? 86  TYR A CB  1 
ATOM   654  C CG  . TYR A 1 86 ? -11.55630 10.14213 22.36920  1.000 12.31590  ? 86  TYR A CG  1 
ATOM   655  C CD1 . TYR A 1 86 ? -11.44287 10.15976 23.75639  1.000 14.55106  ? 86  TYR A CD1 1 
ATOM   656  C CD2 . TYR A 1 86 ? -11.86015 8.93725  21.75990  1.000 12.60623  ? 86  TYR A CD2 1 
ATOM   657  C CE1 . TYR A 1 86 ? -11.63751 9.00743  24.50151  1.000 13.57960  ? 86  TYR A CE1 1 
ATOM   658  C CE2 . TYR A 1 86 ? -12.04492 7.79296  22.48638  1.000 12.25820  ? 86  TYR A CE2 1 
ATOM   659  C CZ  . TYR A 1 86 ? -11.94179 7.82910  23.85696  1.000 13.89475  ? 86  TYR A CZ  1 
ATOM   660  O OH  . TYR A 1 86 ? -12.14355 6.67296  24.57547  1.000 15.81463  ? 86  TYR A OH  1 
ATOM   661  N N   . THR A 1 87 ? -14.31331 11.70957 23.03233  1.000 14.33629  ? 87  THR A N   1 
ATOM   662  C CA  . THR A 1 87 ? -14.88545 11.64504 24.36608  1.000 19.44297  ? 87  THR A CA  1 
ATOM   663  C C   . THR A 1 87 ? -15.16107 10.18851 24.69803  1.000 17.03660  ? 87  THR A C   1 
ATOM   664  O O   . THR A 1 87 ? -15.33823 9.34685  23.81275  1.000 18.43707  ? 87  THR A O   1 
ATOM   665  C CB  . THR A 1 87 ? -16.20363 12.41897 24.46874  1.000 21.27475  ? 87  THR A CB  1 
ATOM   666  O OG1 . THR A 1 87 ? -17.14069 11.86595 23.53654  1.000 25.06670  ? 87  THR A OG1 1 
ATOM   667  C CG2 . THR A 1 87 ? -15.99388 13.89370 24.17518  1.000 23.16785  ? 87  THR A CG2 1 
ATOM   668  N N   . ALA A 1 88 ? -15.21050 9.90919  25.99861  1.000 20.62086  ? 88  ALA A N   1 
ATOM   669  C CA  . ALA A 1 88 ? -15.50732 8.57338  26.48114  1.000 21.81403  ? 88  ALA A CA  1 
ATOM   670  C C   . ALA A 1 88 ? -17.00710 8.29233  26.38762  1.000 24.26341  ? 88  ALA A C   1 
ATOM   671  O O   . ALA A 1 88 ? -17.82460 9.18401  26.13653  1.000 38.95528  ? 88  ALA A O   1 
ATOM   672  C CB  . ALA A 1 88 ? -15.03241 8.41978  27.92593  1.000 30.45094  ? 88  ALA A CB  1 
ATOM   673  N N   . THR A 1 89 ? -17.36373 7.02594  26.58709  1.000 34.14344  ? 89  THR A N   1 
ATOM   674  C CA  . THR A 1 89 ? -18.75735 6.61879  26.63776  1.000 30.36486  ? 89  THR A CA  1 
ATOM   675  C C   . THR A 1 89 ? -19.27587 6.72840  28.07031  0.000 47.01452  ? 89  THR A C   1 
ATOM   676  O O   . THR A 1 89 ? -18.55551 7.11339  28.99447  0.000 45.69564  ? 89  THR A O   1 
ATOM   677  C CB  . THR A 1 89 ? -18.91890 5.19892  26.09740  0.000 43.31517  ? 89  THR A CB  1 
ATOM   678  O OG1 . THR A 1 89 ? -20.29725 4.81280  26.16864  0.000 55.24462  ? 89  THR A OG1 1 
ATOM   679  C CG2 . THR A 1 89 ? -18.08481 4.22177  26.91136  0.000 39.36584  ? 89  THR A CG2 1 
ATOM   680  N N   . ASN A 1 90 ? -20.54441 6.38257  28.25822  0.000 51.47518  ? 90  ASN A N   1 
ATOM   681  C CA  . ASN A 1 90 ? -21.15782 6.41697  29.57948  0.000 51.33455  ? 90  ASN A CA  1 
ATOM   682  C C   . ASN A 1 90 ? -20.65246 5.26685  30.44504  0.000 42.92671  ? 90  ASN A C   1 
ATOM   683  O O   . ASN A 1 90 ? -20.98305 5.17445  31.62709  0.000 49.87500  ? 90  ASN A O   1 
ATOM   684  C CB  . ASN A 1 90 ? -22.68296 6.36799  29.45984  0.000 46.70553  ? 90  ASN A CB  1 
ATOM   685  C CG  . ASN A 1 90 ? -23.21425 4.95332  29.33136  0.000 42.00745  ? 90  ASN A CG  1 
ATOM   686  O OD1 . ASN A 1 90 ? -23.48667 4.28497  30.32899  0.000 53.50466  ? 90  ASN A OD1 1 
ATOM   687  N ND2 . ASN A 1 90 ? -23.36214 4.48842  28.09621  0.000 50.85486  ? 90  ASN A ND2 1 
ATOM   688  N N   . SER B 1 1  ? 4.40670   43.89224 -12.40824 0.000 46.37565  ? 1   SER B N   1 
ATOM   689  C CA  . SER B 1 1  ? 5.78054   44.15919 -12.81806 0.000 47.86545  ? 1   SER B CA  1 
ATOM   690  C C   . SER B 1 1  ? 6.72465   44.02996 -11.62819 1.000 50.09004  ? 1   SER B C   1 
ATOM   691  O O   . SER B 1 1  ? 7.48960   43.07056 -11.53022 1.000 46.08694  ? 1   SER B O   1 
ATOM   692  C CB  . SER B 1 1  ? 5.89241   45.55097 -13.44281 0.000 46.53693  ? 1   SER B CB  1 
ATOM   693  O OG  . SER B 1 1  ? 7.23002   45.83897 -13.80843 0.000 63.54424  ? 1   SER B OG  1 
ATOM   694  N N   . SER B 1 2  ? 6.67620   45.00226 -10.72348 1.000 28.59670  ? 2   SER B N   1 
ATOM   695  C CA  . SER B 1 2  ? 7.41419   44.89045 -9.47547  1.000 28.19532  ? 2   SER B CA  1 
ATOM   696  C C   . SER B 1 2  ? 6.60636   44.07201 -8.47924  1.000 16.56172  ? 2   SER B C   1 
ATOM   697  O O   . SER B 1 2  ? 5.37297   44.14251 -8.44898  1.000 19.98338  ? 2   SER B O   1 
ATOM   698  C CB  . SER B 1 2  ? 7.70682   46.27433 -8.89280  1.000 29.36930  ? 2   SER B CB  1 
ATOM   699  O OG  . SER B 1 2  ? 8.63992   46.98375 -9.69599  1.000 31.22659  ? 2   SER B OG  1 
ATOM   700  N N   . VAL B 1 3  ? 7.31177   43.27242 -7.68056  1.000 14.79018  ? 3   VAL B N   1 
ATOM   701  C CA  . VAL B 1 3  ? 6.63722   42.54325 -6.62248  1.000 13.00506  ? 3   VAL B CA  1 
ATOM   702  C C   . VAL B 1 3  ? 5.99474   43.53337 -5.65316  1.000 12.42512  ? 3   VAL B C   1 
ATOM   703  O O   . VAL B 1 3  ? 6.34004   44.72069 -5.60002  1.000 14.95263  ? 3   VAL B O   1 
ATOM   704  C CB  . VAL B 1 3  ? 7.59241   41.58810 -5.89098  1.000 14.68131  ? 3   VAL B CB  1 
ATOM   705  C CG1 . VAL B 1 3  ? 8.20216   40.58598 -6.87797  1.000 17.11621  ? 3   VAL B CG1 1 
ATOM   706  C CG2 . VAL B 1 3  ? 8.67605   42.35778 -5.14180  1.000 17.01772  ? 3   VAL B CG2 1 
ATOM   707  N N   . GLN B 1 4  ? 5.02221   43.03581 -4.90641  1.000 12.16340  ? 4   GLN B N   1 
ATOM   708  C CA  . GLN B 1 4  ? 4.26701   43.83182 -3.94722  1.000 11.50526  ? 4   GLN B CA  1 
ATOM   709  C C   . GLN B 1 4  ? 4.36303   43.17349 -2.57844  1.000 10.76218  ? 4   GLN B C   1 
ATOM   710  O O   . GLN B 1 4  ? 4.25388   41.95383 -2.46915  1.000 12.11741  ? 4   GLN B O   1 
ATOM   711  C CB  . GLN B 1 4  ? 2.80641   43.89166 -4.38794  1.000 13.82077  ? 4   GLN B CB  1 
ATOM   712  C CG  . GLN B 1 4  ? 1.96519   44.88592 -3.62995  1.000 18.23847  ? 4   GLN B CG  1 
ATOM   713  C CD  . GLN B 1 4  ? 1.14458   44.17250 -2.58509  1.000 17.51874  ? 4   GLN B CD  1 
ATOM   714  O OE1 . GLN B 1 4  ? 0.69162   43.05162 -2.81677  1.000 19.04947  ? 4   GLN B OE1 1 
ATOM   715  N NE2 . GLN B 1 4  ? 0.93810   44.81029 -1.43567  1.000 22.13709  ? 4   GLN B NE2 1 
ATOM   716  N N   . THR B 1 5  ? 4.59139   43.96819 -1.53584  1.000 10.66306  ? 5   THR B N   1 
ATOM   717  C CA  . THR B 1 5  ? 4.79479   43.40664 -0.21024  1.000 9.50202   ? 5   THR B CA  1 
ATOM   718  C C   . THR B 1 5  ? 3.81388   43.97402 0.80375   1.000 9.88299   ? 5   THR B C   1 
ATOM   719  O O   . THR B 1 5  ? 3.19717   45.02251 0.61101   1.000 9.69352   ? 5   THR B O   1 
ATOM   720  C CB  . THR B 1 5  ? 6.22770   43.59849 0.30083   1.000 11.49664  ? 5   THR B CB  1 
ATOM   721  O OG1 . THR B 1 5  ? 6.43836   44.97759 0.64013   1.000 10.91391  ? 5   THR B OG1 1 
ATOM   722  C CG2 . THR B 1 5  ? 7.24997   43.11759 -0.71883  1.000 12.48227  ? 5   THR B CG2 1 
ATOM   723  N N   . ALA B 1 6  ? 3.71792   43.25429 1.91623   1.000 9.62936   ? 6   ALA B N   1 
ATOM   724  C CA  . ALA B 1 6  ? 2.99137   43.67876 3.10138   1.000 9.34566   ? 6   ALA B CA  1 
ATOM   725  C C   . ALA B 1 6  ? 3.78022   43.19172 4.30526   1.000 9.69316   ? 6   ALA B C   1 
ATOM   726  O O   . ALA B 1 6  ? 4.43012   42.14681 4.24956   1.000 10.94140  ? 6   ALA B O   1 
ATOM   727  C CB  . ALA B 1 6  ? 1.58580   43.07724 3.12475   1.000 11.15055  ? 6   ALA B CB  1 
ATOM   728  N N   . ALA B 1 7  ? 3.72666   43.94398 5.40154   1.000 8.58766   ? 7   ALA B N   1 
ATOM   729  C CA  . ALA B 1 7  ? 4.54414   43.62680 6.56370   1.000 9.11510   ? 7   ALA B CA  1 
ATOM   730  C C   . ALA B 1 7  ? 3.75025   43.82869 7.84367   1.000 8.44541   ? 7   ALA B C   1 
ATOM   731  O O   . ALA B 1 7  ? 2.91969   44.73303 7.94213   1.000 9.44916   ? 7   ALA B O   1 
ATOM   732  C CB  . ALA B 1 7  ? 5.79392   44.51298 6.59769   1.000 11.38028  ? 7   ALA B CB  1 
ATOM   733  N N   . THR B 1 8  ? 4.04841   42.99988 8.83864   1.000 9.01612   ? 8   THR B N   1 
ATOM   734  C CA  . THR B 1 8  ? 3.50561   43.16426 10.17862  1.000 8.73709   ? 8   THR B CA  1 
ATOM   735  C C   . THR B 1 8  ? 4.58356   42.77098 11.17900  1.000 8.85637   ? 8   THR B C   1 
ATOM   736  O O   . THR B 1 8  ? 5.56841   42.11796 10.82438  1.000 10.23228  ? 8   THR B O   1 
ATOM   737  C CB  . THR B 1 8  ? 2.22536   42.33499 10.37721  1.000 9.33955   ? 8   THR B CB  1 
ATOM   738  O OG1 . THR B 1 8  ? 1.57314   42.72798 11.58947  1.000 10.94294  ? 8   THR B OG1 1 
ATOM   739  C CG2 . THR B 1 8  ? 2.52256   40.85472 10.44013  1.000 11.98048  ? 8   THR B CG2 1 
ATOM   740  N N   . SER B 1 9  ? 4.40567   43.18984 12.42984  1.000 9.54488   ? 9   SER B N   1 
ATOM   741  C CA  . SER B 1 9  ? 5.38384   42.88157 13.46138  1.000 9.40599   ? 9   SER B CA  1 
ATOM   742  C C   . SER B 1 9  ? 4.67381   42.86173 14.80266  1.000 9.10003   ? 9   SER B C   1 
ATOM   743  O O   . SER B 1 9  ? 3.59132   43.43616 14.95645  1.000 10.51388  ? 9   SER B O   1 
ATOM   744  C CB  . SER B 1 9  ? 6.52875   43.90334 13.49454  1.000 10.58410  ? 9   SER B CB  1 
ATOM   745  O OG  . SER B 1 9  ? 6.06980   45.22197 13.74610  1.000 10.49984  ? 9   SER B OG  1 
ATOM   746  N N   . TRP B 1 10 ? 5.30225   42.21025 15.77836  1.000 10.53925  ? 10  TRP B N   1 
ATOM   747  C CA  . TRP B 1 10 ? 4.74202   42.16264 17.11838  1.000 10.81102  ? 10  TRP B CA  1 
ATOM   748  C C   . TRP B 1 10 ? 5.85851   42.02028 18.14700  1.000 11.32656  ? 10  TRP B C   1 
ATOM   749  O O   . TRP B 1 10 ? 6.94721   41.51324 17.86002  1.000 12.39629  ? 10  TRP B O   1 
ATOM   750  C CB  . TRP B 1 10 ? 3.69069   41.05601 17.25360  1.000 11.00008  ? 10  TRP B CB  1 
ATOM   751  C CG  . TRP B 1 10 ? 4.17577   39.64305 17.03197  1.000 12.00895  ? 10  TRP B CG  1 
ATOM   752  C CD1 . TRP B 1 10 ? 4.61855   38.76681 17.98918  1.000 13.73792  ? 10  TRP B CD1 1 
ATOM   753  C CD2 . TRP B 1 10 ? 4.21795   38.92129 15.78674  1.000 12.32420  ? 10  TRP B CD2 1 
ATOM   754  N NE1 . TRP B 1 10 ? 4.94268   37.56235 17.41611  1.000 12.61684  ? 10  TRP B NE1 1 
ATOM   755  C CE2 . TRP B 1 10 ? 4.70933   37.62504 16.06813  1.000 12.18616  ? 10  TRP B CE2 1 
ATOM   756  C CE3 . TRP B 1 10 ? 3.89617   39.24792 14.45921  1.000 12.06781  ? 10  TRP B CE3 1 
ATOM   757  C CZ2 . TRP B 1 10 ? 4.87905   36.65557 15.07939  1.000 14.61270  ? 10  TRP B CZ2 1 
ATOM   758  C CZ3 . TRP B 1 10 ? 4.06904   38.28258 13.48370  1.000 12.11661  ? 10  TRP B CZ3 1 
ATOM   759  C CH2 . TRP B 1 10 ? 4.55875   37.00544 13.79302  1.000 12.09565  ? 10  TRP B CH2 1 
ATOM   760  N N   . GLY B 1 11 ? 5.56256   42.45599 19.37453  1.000 12.65902  ? 11  GLY B N   1 
ATOM   761  C CA  . GLY B 1 11 ? 6.54509   42.41786 20.45213  1.000 13.41337  ? 11  GLY B CA  1 
ATOM   762  C C   . GLY B 1 11 ? 7.60375   43.50228 20.32357  1.000 12.25427  ? 11  GLY B C   1 
ATOM   763  O O   . GLY B 1 11 ? 7.45552   44.49933 19.60594  1.000 16.71218  ? 11  GLY B O   1 
ATOM   764  N N   . THR B 1 12 ? 8.70326   43.28758 21.05480  1.000 13.92553  ? 12  THR B N   1 
ATOM   765  C CA  . THR B 1 12 ? 9.80735   44.23376 21.12527  1.000 16.63470  ? 12  THR B CA  1 
ATOM   766  C C   . THR B 1 12 ? 11.12356  43.67748 20.60366  1.000 14.80373  ? 12  THR B C   1 
ATOM   767  O O   . THR B 1 12 ? 12.06990  44.45494 20.41961  1.000 18.52836  ? 12  THR B O   1 
ATOM   768  C CB  . THR B 1 12 ? 10.02624  44.69857 22.57564  1.000 18.18134  ? 12  THR B CB  1 
ATOM   769  O OG1 . THR B 1 12 ? 10.15607  43.55195 23.42276  1.000 21.95473  ? 12  THR B OG1 1 
ATOM   770  C CG2 . THR B 1 12 ? 8.85196   45.54435 23.05887  1.000 22.28954  ? 12  THR B CG2 1 
ATOM   771  N N   . VAL B 1 13 ? 11.22288  42.36212 20.39327  1.000 14.60803  ? 13  VAL B N   1 
ATOM   772  C CA  . VAL B 1 13 ? 12.44981  41.78985 19.83710  1.000 17.16212  ? 13  VAL B CA  1 
ATOM   773  C C   . VAL B 1 13 ? 12.80399  42.41367 18.49349  1.000 14.96038  ? 13  VAL B C   1 
ATOM   774  O O   . VAL B 1 13 ? 13.95200  42.85599 18.32467  1.000 16.15721  ? 13  VAL B O   1 
ATOM   775  C CB  . VAL B 1 13 ? 12.36104  40.25337 19.81123  1.000 16.28682  ? 13  VAL B CB  1 
ATOM   776  C CG1 . VAL B 1 13 ? 13.47324  39.65882 18.96399  1.000 20.97868  ? 13  VAL B CG1 1 
ATOM   777  C CG2 . VAL B 1 13 ? 12.41144  39.69539 21.22137  1.000 17.73777  ? 13  VAL B CG2 1 
ATOM   778  N N   . PRO B 1 14 ? 11.88463  42.50916 17.51416  1.000 13.36685  ? 14  PRO B N   1 
ATOM   779  C CA  . PRO B 1 14 ? 10.49918  42.01993 17.47486  1.000 13.04260  ? 14  PRO B CA  1 
ATOM   780  C C   . PRO B 1 14 ? 10.41407  40.74634 16.63564  1.000 11.27600  ? 14  PRO B C   1 
ATOM   781  O O   . PRO B 1 14 ? 11.43343  40.27656 16.14674  1.000 12.50389  ? 14  PRO B O   1 
ATOM   782  C CB  . PRO B 1 14 ? 9.80872   43.12442 16.68656  1.000 14.91431  ? 14  PRO B CB  1 
ATOM   783  C CG  . PRO B 1 14 ? 10.83247  43.42949 15.63186  1.000 14.91950  ? 14  PRO B CG  1 
ATOM   784  C CD  . PRO B 1 14 ? 12.17779  43.35638 16.34258  1.000 15.20895  ? 14  PRO B CD  1 
ATOM   785  N N   . SER B 1 15 ? 9.21763   40.20130 16.46525  1.000 11.83872  ? 15  SER B N   1 
ATOM   786  C CA  . SER B 1 15 ? 8.96283   39.32927 15.32395  1.000 11.85840  ? 15  SER B CA  1 
ATOM   787  C C   . SER B 1 15 ? 8.41978   40.16137 14.16760  1.000 10.74430  ? 15  SER B C   1 
ATOM   788  O O   . SER B 1 15 ? 7.63136   41.08861 14.38144  1.000 10.12064  ? 15  SER B O   1 
ATOM   789  C CB  . SER B 1 15 ? 7.94433   38.25760 15.67851  1.000 11.63388  ? 15  SER B CB  1 
ATOM   790  O OG  . SER B 1 15 ? 8.54534   37.18119 16.38282  1.000 14.31604  ? 15  SER B OG  1 
ATOM   791  N N   . ILE B 1 16 ? 8.84760   39.83099 12.94861  1.000 10.75847  ? 16  ILE B N   1 
ATOM   792  C CA  . ILE B 1 16 ? 8.39083   40.50246 11.73810  1.000 9.26215   ? 16  ILE B CA  1 
ATOM   793  C C   . ILE B 1 16 ? 7.97760   39.41901 10.75633  1.000 9.75476   ? 16  ILE B C   1 
ATOM   794  O O   . ILE B 1 16 ? 8.62400   38.36451 10.67139  1.000 10.20329  ? 16  ILE B O   1 
ATOM   795  C CB  . ILE B 1 16 ? 9.50274   41.37381 11.10109  1.000 9.90486   ? 16  ILE B CB  1 
ATOM   796  C CG1 . ILE B 1 16 ? 10.15674  42.30333 12.12379  1.000 11.05881  ? 16  ILE B CG1 1 
ATOM   797  C CG2 . ILE B 1 16 ? 8.97220   42.15843 9.88981   1.000 10.50451  ? 16  ILE B CG2 1 
ATOM   798  C CD1 . ILE B 1 16 ? 11.43247  42.94490 11.62429  1.000 13.29815  ? 16  ILE B CD1 1 
ATOM   799  N N   . ARG B 1 17 ? 6.93398   39.69187 9.96648   1.000 9.63636   ? 17  ARG B N   1 
ATOM   800  C CA  . ARG B 1 17 ? 6.57108   38.84556 8.83566   1.000 9.67239   ? 17  ARG B CA  1 
ATOM   801  C C   . ARG B 1 17 ? 6.40342   39.75287 7.62992   1.000 9.67202   ? 17  ARG B C   1 
ATOM   802  O O   . ARG B 1 17 ? 5.72544   40.78249 7.71441   1.000 10.26443  ? 17  ARG B O   1 
ATOM   803  C CB  . ARG B 1 17 ? 5.26943   38.07776 9.09746   1.000 10.76097  ? 17  ARG B CB  1 
ATOM   804  C CG  . ARG B 1 17 ? 5.32135   37.10139 10.27123  1.000 11.58335  ? 17  ARG B CG  1 
ATOM   805  C CD  . ARG B 1 17 ? 6.30442   35.96448 10.03696  1.000 11.38833  ? 17  ARG B CD  1 
ATOM   806  N NE  . ARG B 1 17 ? 6.29601   34.99130 11.13519  1.000 12.43532  ? 17  ARG B NE  1 
ATOM   807  C CZ  . ARG B 1 17 ? 7.10181   35.03019 12.19143  1.000 12.13345  ? 17  ARG B CZ  1 
ATOM   808  N NH1 . ARG B 1 17 ? 8.00089   35.99406 12.30934  1.000 11.89276  ? 17  ARG B NH1 1 
ATOM   809  N NH2 . ARG B 1 17 ? 7.00713   34.09338 13.12809  1.000 12.58960  ? 17  ARG B NH2 1 
ATOM   810  N N   . VAL B 1 18 ? 7.03161   39.38350 6.52148   1.000 9.74297   ? 18  VAL B N   1 
ATOM   811  C CA  . VAL B 1 18 ? 6.94167   40.12286 5.26731   1.000 10.24190  ? 18  VAL B CA  1 
ATOM   812  C C   . VAL B 1 18 ? 6.38242   39.16893 4.22214   1.000 9.80344   ? 18  VAL B C   1 
ATOM   813  O O   . VAL B 1 18 ? 6.96778   38.10097 3.97610   1.000 10.85196  ? 18  VAL B O   1 
ATOM   814  C CB  . VAL B 1 18 ? 8.31413   40.65425 4.83340   1.000 11.34407  ? 18  VAL B CB  1 
ATOM   815  C CG1 . VAL B 1 18 ? 8.18696   41.41344 3.51094   1.000 11.88325  ? 18  VAL B CG1 1 
ATOM   816  C CG2 . VAL B 1 18 ? 8.90631   41.54759 5.91586   1.000 11.95213  ? 18  VAL B CG2 1 
ATOM   817  N N   . TYR B 1 19 ? 5.27068   39.55838 3.59798   1.000 10.05877  ? 19  TYR B N   1 
ATOM   818  C CA  . TYR B 1 19 ? 4.60394   38.78479 2.55136   1.000 9.85977   ? 19  TYR B CA  1 
ATOM   819  C C   . TYR B 1 19 ? 4.90648   39.44573 1.21676   1.000 9.83934   ? 19  TYR B C   1 
ATOM   820  O O   . TYR B 1 19 ? 4.80480   40.66662 1.09061   1.000 10.84971  ? 19  TYR B O   1 
ATOM   821  C CB  . TYR B 1 19 ? 3.08253   38.74728 2.79500   1.000 11.06840  ? 19  TYR B CB  1 
ATOM   822  C CG  . TYR B 1 19 ? 2.82151   38.13637 4.14422   1.000 9.91089   ? 19  TYR B CG  1 
ATOM   823  C CD1 . TYR B 1 19 ? 2.84283   38.91746 5.30518   1.000 10.01514  ? 19  TYR B CD1 1 
ATOM   824  C CD2 . TYR B 1 19 ? 2.67322   36.77263 4.28329   1.000 11.87458  ? 19  TYR B CD2 1 
ATOM   825  C CE1 . TYR B 1 19 ? 2.70015   38.35361 6.55593   1.000 10.74797  ? 19  TYR B CE1 1 
ATOM   826  C CE2 . TYR B 1 19 ? 2.50961   36.19995 5.53860   1.000 10.92711  ? 19  TYR B CE2 1 
ATOM   827  C CZ  . TYR B 1 19 ? 2.53656   36.99602 6.66971   1.000 9.86551   ? 19  TYR B CZ  1 
ATOM   828  O OH  . TYR B 1 19 ? 2.41634   36.43975 7.92557   1.000 11.40037  ? 19  TYR B OH  1 
ATOM   829  N N   . THR B 1 20 ? 5.27058   38.63852 0.21886   1.000 11.03381  ? 20  THR B N   1 
ATOM   830  C CA  . THR B 1 20 ? 5.59981   39.14226 -1.11224  1.000 11.75653  ? 20  THR B CA  1 
ATOM   831  C C   . THR B 1 20 ? 4.75102   38.42658 -2.14898  1.000 11.57758  ? 20  THR B C   1 
ATOM   832  O O   . THR B 1 20 ? 4.78037   37.19435 -2.23039  1.000 12.13975  ? 20  THR B O   1 
ATOM   833  C CB  . THR B 1 20 ? 7.07831   38.91565 -1.43730  1.000 11.85771  ? 20  THR B CB  1 
ATOM   834  O OG1 . THR B 1 20 ? 7.87698   39.60861 -0.47815  1.000 12.85907  ? 20  THR B OG1 1 
ATOM   835  C CG2 . THR B 1 20 ? 7.41521   39.43088 -2.83825  1.000 13.28907  ? 20  THR B CG2 1 
ATOM   836  N N   . ALA B 1 21 ? 4.00445   39.20281 -2.93077  1.000 10.80227  ? 21  ALA B N   1 
ATOM   837  C CA  . ALA B 1 21 ? 3.31235   38.71145 -4.11773  1.000 11.96545  ? 21  ALA B CA  1 
ATOM   838  C C   . ALA B 1 21 ? 4.23811   38.84997 -5.31980  1.000 12.16840  ? 21  ALA B C   1 
ATOM   839  O O   . ALA B 1 21 ? 4.61622   39.96226 -5.70083  1.000 12.74003  ? 21  ALA B O   1 
ATOM   840  C CB  . ALA B 1 21 ? 2.02185   39.49538 -4.34463  1.000 13.13134  ? 21  ALA B CB  1 
ATOM   841  N N   . ASN B 1 22 ? 4.59700   37.71546 -5.91216  1.000 13.64131  ? 22  ASN B N   1 
ATOM   842  C CA  . ASN B 1 22 ? 5.55368   37.66940 -7.01384  1.000 13.43527  ? 22  ASN B CA  1 
ATOM   843  C C   . ASN B 1 22 ? 4.99243   36.71008 -8.05379  1.000 14.01850  ? 22  ASN B C   1 
ATOM   844  O O   . ASN B 1 22 ? 4.86959   35.51183 -7.78937  1.000 13.62416  ? 22  ASN B O   1 
ATOM   845  C CB  . ASN B 1 22 ? 6.90825   37.19567 -6.48313  1.000 15.89269  ? 22  ASN B CB  1 
ATOM   846  C CG  . ASN B 1 22 ? 7.96162   37.06830 -7.56097  1.000 17.56755  ? 22  ASN B CG  1 
ATOM   847  O OD1 . ASN B 1 22 ? 7.70702   37.32255 -8.73487  1.000 18.49534  ? 22  ASN B OD1 1 
ATOM   848  N ND2 . ASN B 1 22 ? 9.17148   36.70157 -7.15687  1.000 22.94467  ? 22  ASN B ND2 1 
ATOM   849  N N   . ASN B 1 23 ? 4.63064   37.24107 -9.22241  1.000 15.05432  ? 23  ASN B N   1 
ATOM   850  C CA  . ASN B 1 23 ? 4.13684   36.42654 -10.33064 1.000 15.70912  ? 23  ASN B CA  1 
ATOM   851  C C   . ASN B 1 23 ? 2.99068   35.51379 -9.90770  1.000 15.32828  ? 23  ASN B C   1 
ATOM   852  O O   . ASN B 1 23 ? 2.93175   34.33850 -10.27413 1.000 16.75680  ? 23  ASN B O   1 
ATOM   853  C CB  . ASN B 1 23 ? 5.25830   35.63825 -11.00882 1.000 16.73427  ? 23  ASN B CB  1 
ATOM   854  C CG  . ASN B 1 23 ? 4.84508   35.11631 -12.37421 1.000 19.16834  ? 23  ASN B CG  1 
ATOM   855  O OD1 . ASN B 1 23 ? 4.20725   35.82589 -13.15037 1.000 26.33398  ? 23  ASN B OD1 1 
ATOM   856  N ND2 . ASN B 1 23 ? 5.17361   33.86808 -12.65241 1.000 24.07817  ? 23  ASN B ND2 1 
ATOM   857  N N   . GLY B 1 24 ? 2.07719   36.05249 -9.10139  1.000 14.14728  ? 24  GLY B N   1 
ATOM   858  C CA  . GLY B 1 24 ? 0.87535   35.33940 -8.74450  1.000 14.49408  ? 24  GLY B CA  1 
ATOM   859  C C   . GLY B 1 24 ? 0.97902   34.47573 -7.50921  1.000 12.83734  ? 24  GLY B C   1 
ATOM   860  O O   . GLY B 1 24 ? -0.01069  33.82675 -7.15023  1.000 14.84079  ? 24  GLY B O   1 
ATOM   861  N N   . LYS B 1 25 ? 2.13937   34.42794 -6.86141  1.000 13.25973  ? 25  LYS B N   1 
ATOM   862  C CA  . LYS B 1 25 ? 2.32755   33.62319 -5.66172  1.000 13.05868  ? 25  LYS B CA  1 
ATOM   863  C C   . LYS B 1 25 ? 2.77138   34.51630 -4.51265  1.000 11.13368  ? 25  LYS B C   1 
ATOM   864  O O   . LYS B 1 25 ? 3.70852   35.30476 -4.66536  1.000 12.52750  ? 25  LYS B O   1 
ATOM   865  C CB  . LYS B 1 25 ? 3.38843   32.54821 -5.89289  1.000 13.02058  ? 25  LYS B CB  1 
ATOM   866  C CG  . LYS B 1 25 ? 3.67962   31.71707 -4.67299  1.000 14.61467  ? 25  LYS B CG  1 
ATOM   867  C CD  . LYS B 1 25 ? 4.82768   30.76504 -4.92112  1.000 16.02931  ? 25  LYS B CD  1 
ATOM   868  C CE  . LYS B 1 25 ? 4.85801   29.68394 -3.84967  1.000 29.40552  ? 25  LYS B CE  1 
ATOM   869  N NZ  . LYS B 1 25 ? 6.07270   28.83182 -3.95009  1.000 65.87218  ? 25  LYS B NZ  1 
ATOM   870  N N   . ILE B 1 26 ? 2.12021   34.36653 -3.36013  1.000 12.39042  ? 26  ILE B N   1 
ATOM   871  C CA  . ILE B 1 26 ? 2.49535   35.07904 -2.14321  1.000 11.23150  ? 26  ILE B CA  1 
ATOM   872  C C   . ILE B 1 26 ? 3.26315   34.12676 -1.24003  1.000 11.45949  ? 26  ILE B C   1 
ATOM   873  O O   . ILE B 1 26 ? 2.76832   33.04530 -0.90075  1.000 12.57106  ? 26  ILE B O   1 
ATOM   874  C CB  . ILE B 1 26 ? 1.26760   35.64005 -1.40878  1.000 10.41732  ? 26  ILE B CB  1 
ATOM   875  C CG1 . ILE B 1 26 ? 0.47676   36.59541 -2.30224  1.000 13.41508  ? 26  ILE B CG1 1 
ATOM   876  C CG2 . ILE B 1 26 ? 1.70440   36.35800 -0.13563  1.000 11.78114  ? 26  ILE B CG2 1 
ATOM   877  C CD1 . ILE B 1 26 ? -0.95083  36.84696 -1.83064  1.000 12.86183  ? 26  ILE B CD1 1 
ATOM   878  N N   . THR B 1 27 ? 4.46695   34.53463 -0.84468  1.000 11.85464  ? 27  THR B N   1 
ATOM   879  C CA  . THR B 1 27 ? 5.30825   33.82019 0.10369   1.000 12.41252  ? 27  THR B CA  1 
ATOM   880  C C   . THR B 1 27 ? 5.60537   34.72297 1.29839   1.000 10.65361  ? 27  THR B C   1 
ATOM   881  O O   . THR B 1 27 ? 5.28571   35.91818 1.30212   1.000 13.19904  ? 27  THR B O   1 
ATOM   882  C CB  . THR B 1 27 ? 6.61352   33.35202 -0.55605  1.000 13.55923  ? 27  THR B CB  1 
ATOM   883  O OG1 . THR B 1 27 ? 7.28419   34.47475 -1.13605  1.000 16.27150  ? 27  THR B OG1 1 
ATOM   884  C CG2 . THR B 1 27 ? 6.32513   32.33437 -1.64788  1.000 14.95678  ? 27  THR B CG2 1 
ATOM   885  N N   . GLU B 1 28 ? 6.25574   34.13733 2.30101   1.000 12.20663  ? 28  GLU B N   1 
ATOM   886  C CA  . GLU B 1 28 ? 6.42237   34.77046 3.60343   1.000 11.76219  ? 28  GLU B CA  1 
ATOM   887  C C   . GLU B 1 28 ? 7.85089   34.58734 4.08905   1.000 13.04669  ? 28  GLU B C   1 
ATOM   888  O O   . GLU B 1 28 ? 8.38274   33.47015 4.06980   1.000 13.78757  ? 28  GLU B O   1 
ATOM   889  C CB  . GLU B 1 28 ? 5.45712   34.11881 4.59963   1.000 12.36655  ? 28  GLU B CB  1 
ATOM   890  C CG  . GLU B 1 28 ? 5.55889   34.60567 6.04057   1.000 12.02158  ? 28  GLU B CG  1 
ATOM   891  C CD  . GLU B 1 28 ? 4.77021   33.72783 6.98754   1.000 12.49914  ? 28  GLU B CD  1 
ATOM   892  O OE1 . GLU B 1 28 ? 4.87045   32.47696 6.87529   1.000 13.47527  ? 28  GLU B OE1 1 
ATOM   893  O OE2 . GLU B 1 28 ? 4.04961   34.27433 7.84846   1.000 12.45961  ? 28  GLU B OE2 1 
ATOM   894  N N   . ARG B 1 29 ? 8.46012   35.68218 4.53033   1.000 11.64417  ? 29  ARG B N   1 
ATOM   895  C CA  . ARG B 1 29 ? 9.74760   35.65042 5.20071   1.000 12.40070  ? 29  ARG B CA  1 
ATOM   896  C C   . ARG B 1 29 ? 9.56209   36.13918 6.62729   1.000 11.34178  ? 29  ARG B C   1 
ATOM   897  O O   . ARG B 1 29 ? 8.75005   37.04550 6.89287   1.000 11.25132  ? 29  ARG B O   1 
ATOM   898  C CB  . ARG B 1 29 ? 10.76364  36.50956 4.46944   1.000 12.45493  ? 29  ARG B CB  1 
ATOM   899  C CG  . ARG B 1 29 ? 11.10969  35.96718 3.08633   1.000 12.78073  ? 29  ARG B CG  1 
ATOM   900  C CD  . ARG B 1 29 ? 12.06302  34.76779 3.17835   1.000 14.55208  ? 29  ARG B CD  1 
ATOM   901  N NE  . ARG B 1 29 ? 13.44678  35.19918 3.34142   1.000 15.18769  ? 29  ARG B NE  1 
ATOM   902  C CZ  . ARG B 1 29 ? 14.46872  34.38997 3.59567   1.000 15.50666  ? 29  ARG B CZ  1 
ATOM   903  N NH1 . ARG B 1 29 ? 14.27546  33.08326 3.71806   1.000 18.03186  ? 29  ARG B NH1 1 
ATOM   904  N NH2 . ARG B 1 29 ? 15.68680  34.90072 3.71475   1.000 17.75946  ? 29  ARG B NH2 1 
ATOM   905  N N   . CYS B 1 30 ? 10.30824  35.52304 7.54049   1.000 11.81894  ? 30  CYS B N   1 
ATOM   906  C CA  . CYS B 1 30 ? 10.07686  35.64946 8.96772   1.000 12.48799  ? 30  CYS B CA  1 
ATOM   907  C C   . CYS B 1 30 ? 11.35461  36.05296 9.68020   1.000 11.46847  ? 30  CYS B C   1 
ATOM   908  O O   . CYS B 1 30 ? 12.45157  35.57684 9.34430   1.000 12.64206  ? 30  CYS B O   1 
ATOM   909  C CB  . CYS B 1 30 ? 9.65924   34.30487 9.55266   1.000 13.22939  ? 30  CYS B CB  1 
ATOM   910  S SG  . CYS B 1 30 ? 8.29536   33.49969 8.71038   1.000 13.72924  ? 30  CYS B SG  1 
ATOM   911  N N   . TRP B 1 31 ? 11.19780  36.91323 10.68042  1.000 10.99031  ? 31  TRP B N   1 
ATOM   912  C CA  . TRP B 1 31 ? 12.26841  37.29594 11.58697  1.000 11.57643  ? 31  TRP B CA  1 
ATOM   913  C C   . TRP B 1 31 ? 11.73330  37.17464 13.00183  1.000 12.10420  ? 31  TRP B C   1 
ATOM   914  O O   . TRP B 1 31 ? 10.65630  37.69786 13.30376  1.000 12.09930  ? 31  TRP B O   1 
ATOM   915  C CB  . TRP B 1 31 ? 12.66624  38.75215 11.33380  1.000 12.62739  ? 31  TRP B CB  1 
ATOM   916  C CG  . TRP B 1 31 ? 13.65950  39.32692 12.31181  1.000 13.40747  ? 31  TRP B CG  1 
ATOM   917  C CD1 . TRP B 1 31 ? 13.39161  39.96714 13.48827  1.000 13.98208  ? 31  TRP B CD1 1 
ATOM   918  C CD2 . TRP B 1 31 ? 15.07872  39.33027 12.16506  1.000 14.05475  ? 31  TRP B CD2 1 
ATOM   919  N NE1 . TRP B 1 31 ? 14.56618  40.35876 14.08776  1.000 14.23220  ? 31  TRP B NE1 1 
ATOM   920  C CE2 . TRP B 1 31 ? 15.61934  39.97512 13.29817  1.000 13.80781  ? 31  TRP B CE2 1 
ATOM   921  C CE3 . TRP B 1 31 ? 15.94760  38.84225 11.18676  1.000 15.23745  ? 31  TRP B CE3 1 
ATOM   922  C CZ2 . TRP B 1 31 ? 16.99729  40.14834 13.47882  1.000 15.54428  ? 31  TRP B CZ2 1 
ATOM   923  C CZ3 . TRP B 1 31 ? 17.31226  39.02095 11.35784  1.000 17.10914  ? 31  TRP B CZ3 1 
ATOM   924  C CH2 . TRP B 1 31 ? 17.82451  39.66264 12.50256  1.000 16.93454  ? 31  TRP B CH2 1 
ATOM   925  N N   . ASP B 1 32 ? 12.48208  36.48996 13.87609  1.000 12.70848  ? 32  ASP B N   1 
ATOM   926  C CA  . ASP B 1 32 ? 12.14387  36.43590 15.29379  1.000 15.24124  ? 32  ASP B CA  1 
ATOM   927  C C   . ASP B 1 32 ? 13.33394  36.86540 16.14402  1.000 14.53249  ? 32  ASP B C   1 
ATOM   928  O O   . ASP B 1 32 ? 13.35959  36.60501 17.35753  1.000 17.91849  ? 32  ASP B O   1 
ATOM   929  C CB  . ASP B 1 32 ? 11.68925  35.03089 15.70195  1.000 20.37179  ? 32  ASP B CB  1 
ATOM   930  C CG  . ASP B 1 32 ? 10.48066  34.53608 14.91446  1.000 17.23750  ? 32  ASP B CG  1 
ATOM   931  O OD1 . ASP B 1 32 ? 9.46329   35.25553 14.79869  1.000 15.94536  ? 32  ASP B OD1 1 
ATOM   932  O OD2 . ASP B 1 32 ? 10.55866  33.40699 14.39960  1.000 24.12500  ? 32  ASP B OD2 1 
ATOM   933  N N   . GLY B 1 33 ? 14.32381  37.50440 15.53796  1.000 13.86410  ? 33  GLY B N   1 
ATOM   934  C CA  . GLY B 1 33 ? 15.49545  37.97809 16.24627  1.000 15.88643  ? 33  GLY B CA  1 
ATOM   935  C C   . GLY B 1 33 ? 16.77066  37.22913 15.93950  1.000 16.54346  ? 33  GLY B C   1 
ATOM   936  O O   . GLY B 1 33 ? 17.83646  37.63959 16.42223  1.000 20.09521  ? 33  GLY B O   1 
ATOM   937  N N   . LYS B 1 34 ? 16.71940  36.15407 15.15197  1.000 15.05410  ? 34  LYS B N   1 
ATOM   938  C CA  . LYS B 1 34 ? 17.91887  35.34933 14.95917  1.000 18.11202  ? 34  LYS B CA  1 
ATOM   939  C C   . LYS B 1 34 ? 18.20667  35.05843 13.49190  1.000 18.13493  ? 34  LYS B C   1 
ATOM   940  O O   . LYS B 1 34 ? 18.95388  34.12028 13.18989  1.000 24.60325  ? 34  LYS B O   1 
ATOM   941  C CB  . LYS B 1 34 ? 17.87996  34.06509 15.79073  1.000 31.54368  ? 34  LYS B CB  1 
ATOM   942  C CG  . LYS B 1 34 ? 16.77651  33.10814 15.41944  1.000 20.90162  ? 34  LYS B CG  1 
ATOM   943  C CD  . LYS B 1 34 ? 16.64397  32.01354 16.46913  1.000 33.36751  ? 34  LYS B CD  1 
ATOM   944  C CE  . LYS B 1 34 ? 17.56920  30.84236 16.17734  1.000 42.59448  ? 34  LYS B CE  1 
ATOM   945  N NZ  . LYS B 1 34 ? 17.09829  29.58828 16.83238  1.000 31.44462  ? 34  LYS B NZ  1 
ATOM   946  N N   . GLY B 1 35 ? 17.65539  35.85100 12.57456  1.000 15.76439  ? 35  GLY B N   1 
ATOM   947  C CA  . GLY B 1 35 ? 17.88973  35.65763 11.15508  1.000 16.69159  ? 35  GLY B CA  1 
ATOM   948  C C   . GLY B 1 35 ? 16.60827  35.45722 10.37099  1.000 14.55928  ? 35  GLY B C   1 
ATOM   949  O O   . GLY B 1 35 ? 15.61322  34.98170 10.92121  1.000 14.65183  ? 35  GLY B O   1 
ATOM   950  N N   . TRP B 1 36 ? 16.61991  35.80691 9.08588   1.000 14.10353  ? 36  TRP B N   1 
ATOM   951  C CA  . TRP B 1 36 ? 15.43932  35.65920 8.24735   1.000 13.60715  ? 36  TRP B CA  1 
ATOM   952  C C   . TRP B 1 36 ? 15.31523  34.22232 7.76216   1.000 14.07976  ? 36  TRP B C   1 
ATOM   953  O O   . TRP B 1 36 ? 16.31209  33.57356 7.42960   1.000 16.45878  ? 36  TRP B O   1 
ATOM   954  C CB  . TRP B 1 36 ? 15.51316  36.60772 7.04727   1.000 14.34852  ? 36  TRP B CB  1 
ATOM   955  C CG  . TRP B 1 36 ? 15.29705  38.03331 7.44372   1.000 12.98934  ? 36  TRP B CG  1 
ATOM   956  C CD1 . TRP B 1 36 ? 16.25566  38.95445 7.75140   1.000 13.03664  ? 36  TRP B CD1 1 
ATOM   957  C CD2 . TRP B 1 36 ? 14.03492  38.69049 7.61489   1.000 12.21428  ? 36  TRP B CD2 1 
ATOM   958  N NE1 . TRP B 1 36 ? 15.66724  40.15233 8.09435   1.000 12.88309  ? 36  TRP B NE1 1 
ATOM   959  C CE2 . TRP B 1 36 ? 14.30457  40.01612 8.00808   1.000 12.35033  ? 36  TRP B CE2 1 
ATOM   960  C CE3 . TRP B 1 36 ? 12.70359  38.28898 7.45603   1.000 12.33575  ? 36  TRP B CE3 1 
ATOM   961  C CZ2 . TRP B 1 36 ? 13.28821  40.94673 8.25644   1.000 11.51447  ? 36  TRP B CZ2 1 
ATOM   962  C CZ3 . TRP B 1 36 ? 11.69630  39.21063 7.69975   1.000 11.95212  ? 36  TRP B CZ3 1 
ATOM   963  C CH2 . TRP B 1 36 ? 11.99324  40.52095 8.10431   1.000 11.23422  ? 36  TRP B CH2 1 
ATOM   964  N N   . TYR B 1 37 ? 14.08343  33.72432 7.72322   1.000 13.16368  ? 37  TYR B N   1 
ATOM   965  C CA  . TYR B 1 37 ? 13.82009  32.37064 7.25294   1.000 14.75549  ? 37  TYR B CA  1 
ATOM   966  C C   . TYR B 1 37 ? 12.46264  32.36427 6.56474   1.000 15.07286  ? 37  TYR B C   1 
ATOM   967  O O   . TYR B 1 37 ? 11.67231  33.30562 6.69682   1.000 15.44402  ? 37  TYR B O   1 
ATOM   968  C CB  . TYR B 1 37 ? 13.90349  31.32984 8.38359   1.000 15.49485  ? 37  TYR B CB  1 
ATOM   969  C CG  . TYR B 1 37 ? 12.87026  31.51686 9.47132   1.000 14.44784  ? 37  TYR B CG  1 
ATOM   970  C CD1 . TYR B 1 37 ? 13.07294  32.42681 10.49547  1.000 15.32419  ? 37  TYR B CD1 1 
ATOM   971  C CD2 . TYR B 1 37 ? 11.68855  30.78946 9.46665   1.000 15.74907  ? 37  TYR B CD2 1 
ATOM   972  C CE1 . TYR B 1 37 ? 12.12477  32.60452 11.49348  1.000 15.10596  ? 37  TYR B CE1 1 
ATOM   973  C CE2 . TYR B 1 37 ? 10.73443  30.96180 10.45530  1.000 16.77240  ? 37  TYR B CE2 1 
ATOM   974  C CZ  . TYR B 1 37 ? 10.95904  31.87008 11.46427  1.000 16.88105  ? 37  TYR B CZ  1 
ATOM   975  O OH  . TYR B 1 37 ? 10.00640  32.03925 12.44399  1.000 18.57785  ? 37  TYR B OH  1 
ATOM   976  N N   . THR B 1 38 ? 12.20438  31.31201 5.79774   1.000 14.91772  ? 38  THR B N   1 
ATOM   977  C CA  . THR B 1 38 ? 10.98244  31.22462 5.00959   1.000 13.63548  ? 38  THR B CA  1 
ATOM   978  C C   . THR B 1 38 ? 9.87171   30.59817 5.84237   1.000 15.38205  ? 38  THR B C   1 
ATOM   979  O O   . THR B 1 38 ? 10.07391  29.56758 6.49454   1.000 17.37182  ? 38  THR B O   1 
ATOM   980  C CB  . THR B 1 38 ? 11.23532  30.42893 3.72986   1.000 17.19299  ? 38  THR B CB  1 
ATOM   981  O OG1 . THR B 1 38 ? 12.18815  31.14513 2.94197   1.000 17.76353  ? 38  THR B OG1 1 
ATOM   982  C CG2 . THR B 1 38 ? 9.94395   30.25709 2.93096   1.000 16.49688  ? 38  THR B CG2 1 
ATOM   983  N N   . GLY B 1 39 ? 8.70227   31.24133 5.83905   1.000 14.27941  ? 39  GLY B N   1 
ATOM   984  C CA  . GLY B 1 39 ? 7.57609   30.77950 6.61703   1.000 15.38918  ? 39  GLY B CA  1 
ATOM   985  C C   . GLY B 1 39 ? 6.69687   29.81248 5.85107   1.000 13.63750  ? 39  GLY B C   1 
ATOM   986  O O   . GLY B 1 39 ? 6.88986   29.54463 4.66646   1.000 14.76483  ? 39  GLY B O   1 
ATOM   987  N N   . ALA B 1 40 ? 5.68622   29.31098 6.55030   1.000 14.89809  ? 40  ALA B N   1 
ATOM   988  C CA  . ALA B 1 40 ? 4.78975   28.30328 6.00148   1.000 17.13386  ? 40  ALA B CA  1 
ATOM   989  C C   . ALA B 1 40 ? 3.78115   28.85630 5.00282   1.000 14.50707  ? 40  ALA B C   1 
ATOM   990  O O   . ALA B 1 40 ? 3.15680   28.06647 4.28117   1.000 18.00657  ? 40  ALA B O   1 
ATOM   991  C CB  . ALA B 1 40 ? 4.04022   27.60807 7.13892   1.000 19.06019  ? 40  ALA B CB  1 
ATOM   992  N N   . PHE B 1 41 ? 3.60441   30.17114 4.91817   1.000 14.19437  ? 41  PHE B N   1 
ATOM   993  C CA  . PHE B 1 41 ? 2.54718   30.72153 4.08013   1.000 12.84399  ? 41  PHE B CA  1 
ATOM   994  C C   . PHE B 1 41 ? 2.92111   30.63027 2.60235   1.000 13.96219  ? 41  PHE B C   1 
ATOM   995  O O   . PHE B 1 41 ? 3.96637   31.13188 2.18580   1.000 14.11219  ? 41  PHE B O   1 
ATOM   996  C CB  . PHE B 1 41 ? 2.30680   32.18480 4.44551   1.000 12.68951  ? 41  PHE B CB  1 
ATOM   997  C CG  . PHE B 1 41 ? 1.15319   32.79822 3.71482   1.000 11.85195  ? 41  PHE B CG  1 
ATOM   998  C CD1 . PHE B 1 41 ? 1.30563   33.32574 2.44477   1.000 14.10795  ? 41  PHE B CD1 1 
ATOM   999  C CD2 . PHE B 1 41 ? -0.09052  32.84373 4.29949   1.000 14.04743  ? 41  PHE B CD2 1 
ATOM   1000 C CE1 . PHE B 1 41 ? 0.23250   33.87732 1.77336   1.000 12.52739  ? 41  PHE B CE1 1 
ATOM   1001 C CE2 . PHE B 1 41 ? -1.16601  33.39148 3.63273   1.000 13.74688  ? 41  PHE B CE2 1 
ATOM   1002 C CZ  . PHE B 1 41 ? -1.00545  33.90895 2.36662   1.000 13.07922  ? 41  PHE B CZ  1 
ATOM   1003 N N   . ASN B 1 42 ? 2.03756   30.02584 1.80158   1.000 13.56791  ? 42  ASN B N   1 
ATOM   1004 C CA  . ASN B 1 42 ? 2.16995   29.99899 0.34128   1.000 13.73014  ? 42  ASN B CA  1 
ATOM   1005 C C   . ASN B 1 42 ? 0.75275   29.99889 -0.21079  1.000 13.28896  ? 42  ASN B C   1 
ATOM   1006 O O   . ASN B 1 42 ? 0.02064   29.02797 0.00621   1.000 14.41358  ? 42  ASN B O   1 
ATOM   1007 C CB  . ASN B 1 42 ? 2.88806   28.73474 -0.14394  1.000 15.17074  ? 42  ASN B CB  1 
ATOM   1008 C CG  . ASN B 1 42 ? 4.35553   28.69057 0.21898   1.000 15.21635  ? 42  ASN B CG  1 
ATOM   1009 O OD1 . ASN B 1 42 ? 5.20979   29.16280 -0.52193  1.000 18.09634  ? 42  ASN B OD1 1 
ATOM   1010 N ND2 . ASN B 1 42 ? 4.65604   28.09342 1.36205   1.000 18.91007  ? 42  ASN B ND2 1 
ATOM   1011 N N   . GLU B 1 43 ? 0.35022   31.07038 -0.89285  1.000 12.67765  ? 43  GLU B N   1 
ATOM   1012 C CA  . GLU B 1 43 ? -1.00911  31.14787 -1.41889  1.000 12.18350  ? 43  GLU B CA  1 
ATOM   1013 C C   . GLU B 1 43 ? -1.00702  31.99138 -2.67713  1.000 13.07381  ? 43  GLU B C   1 
ATOM   1014 O O   . GLU B 1 43 ? -0.14765  32.86650 -2.83357  1.000 13.76037  ? 43  GLU B O   1 
ATOM   1015 C CB  . GLU B 1 43 ? -2.00195  31.76465 -0.42003  1.000 12.76663  ? 43  GLU B CB  1 
ATOM   1016 C CG  . GLU B 1 43 ? -2.20398  30.98630 0.86437   1.000 13.94152  ? 43  GLU B CG  1 
ATOM   1017 C CD  . GLU B 1 43 ? -2.78125  29.59815 0.63781   1.000 14.96733  ? 43  GLU B CD  1 
ATOM   1018 O OE1 . GLU B 1 43 ? -3.30824  29.34686 -0.47501  1.000 15.10108  ? 43  GLU B OE1 1 
ATOM   1019 O OE2 . GLU B 1 43 ? -2.68859  28.75558 1.55676   1.000 15.41828  ? 43  GLU B OE2 1 
ATOM   1020 N N   . PRO B 1 44 ? -1.95972  31.76912 -3.58466  1.000 12.42968  ? 44  PRO B N   1 
ATOM   1021 C CA  . PRO B 1 44 ? -2.01015  32.58466 -4.80319  1.000 12.33608  ? 44  PRO B CA  1 
ATOM   1022 C C   . PRO B 1 44 ? -2.48905  34.00107 -4.52121  1.000 12.52036  ? 44  PRO B C   1 
ATOM   1023 O O   . PRO B 1 44 ? -3.35486  34.23558 -3.67198  1.000 14.07368  ? 44  PRO B O   1 
ATOM   1024 C CB  . PRO B 1 44 ? -3.02350  31.84359 -5.68356  1.000 14.49918  ? 44  PRO B CB  1 
ATOM   1025 C CG  . PRO B 1 44 ? -3.90440  31.13400 -4.71735  1.000 14.78256  ? 44  PRO B CG  1 
ATOM   1026 C CD  . PRO B 1 44 ? -3.02006  30.74300 -3.56467  1.000 13.62021  ? 44  PRO B CD  1 
ATOM   1027 N N   . GLY B 1 45 ? -1.91659  34.94401 -5.25452  1.000 13.06617  ? 45  GLY B N   1 
ATOM   1028 C CA  . GLY B 1 45 ? -2.40139  36.30449 -5.27712  1.000 14.05071  ? 45  GLY B CA  1 
ATOM   1029 C C   . GLY B 1 45 ? -1.43833  37.24645 -5.96195  1.000 12.37373  ? 45  GLY B C   1 
ATOM   1030 O O   . GLY B 1 45 ? -0.23317  36.99202 -6.02199  1.000 14.90702  ? 45  GLY B O   1 
ATOM   1031 N N   . ASP B 1 46 ? -1.97523  38.35299 -6.47704  1.000 13.21790  ? 46  ASP B N   1 
ATOM   1032 C CA  . ASP B 1 46 ? -1.16684  39.41302 -7.06098  1.000 13.47398  ? 46  ASP B CA  1 
ATOM   1033 C C   . ASP B 1 46 ? -0.97941  40.58918 -6.12238  1.000 13.81769  ? 46  ASP B C   1 
ATOM   1034 O O   . ASP B 1 46 ? -0.05089  41.37687 -6.30610  1.000 17.06383  ? 46  ASP B O   1 
ATOM   1035 C CB  . ASP B 1 46 ? -1.83978  39.94076 -8.33109  1.000 17.28109  ? 46  ASP B CB  1 
ATOM   1036 C CG  . ASP B 1 46 ? -1.98112  38.88072 -9.40464  1.000 25.04989  ? 46  ASP B CG  1 
ATOM   1037 O OD1 . ASP B 1 46 ? -3.09163  38.75324 -9.96411  1.000 36.23622  ? 46  ASP B OD1 1 
ATOM   1038 O OD2 . ASP B 1 46 ? -0.98621  38.17933 -9.68666  1.000 46.36553  ? 46  ASP B OD2 1 
ATOM   1039 N N   . ASN B 1 47 ? -1.85402  40.71879 -5.13778  1.000 13.84451  ? 47  ASN B N   1 
ATOM   1040 C CA  . ASN B 1 47 ? -1.83955  41.77463 -4.14191  1.000 12.02429  ? 47  ASN B CA  1 
ATOM   1041 C C   . ASN B 1 47 ? -2.01414  41.16235 -2.76627  1.000 11.55906  ? 47  ASN B C   1 
ATOM   1042 O O   . ASN B 1 47 ? -2.71884  40.16896 -2.61181  1.000 11.89733  ? 47  ASN B O   1 
ATOM   1043 C CB  . ASN B 1 47 ? -2.97244  42.75773 -4.41948  1.000 14.06571  ? 47  ASN B CB  1 
ATOM   1044 C CG  . ASN B 1 47 ? -3.04929  43.84796 -3.39239  1.000 17.51376  ? 47  ASN B CG  1 
ATOM   1045 O OD1 . ASN B 1 47 ? -3.81515  43.74793 -2.41759  1.000 17.62357  ? 47  ASN B OD1 1 
ATOM   1046 N ND2 . ASN B 1 47 ? -2.20609  44.85723 -3.54289  1.000 17.80068  ? 47  ASN B ND2 1 
ATOM   1047 N N   . VAL B 1 48 ? -1.36691  41.76738 -1.76707  1.000 11.30607  ? 48  VAL B N   1 
ATOM   1048 C CA  . VAL B 1 48 ? -1.41183  41.25684 -0.40128  1.000 9.94879   ? 48  VAL B CA  1 
ATOM   1049 C C   . VAL B 1 48 ? -1.46098  42.40511 0.60015   1.000 10.23322  ? 48  VAL B C   1 
ATOM   1050 O O   . VAL B 1 48 ? -0.79791  43.43142 0.42511   1.000 10.82085  ? 48  VAL B O   1 
ATOM   1051 C CB  . VAL B 1 48 ? -0.23422  40.29169 -0.13303  1.000 12.63137  ? 48  VAL B CB  1 
ATOM   1052 C CG1 . VAL B 1 48 ? 1.11864   40.98162 -0.30445  1.000 13.36146  ? 48  VAL B CG1 1 
ATOM   1053 C CG2 . VAL B 1 48 ? -0.37018  39.64230 1.23954   1.000 12.35127  ? 48  VAL B CG2 1 
ATOM   1054 N N   . SER B 1 49 ? -2.26522  42.22343 1.64969   1.000 9.81265   ? 49  SER B N   1 
ATOM   1055 C CA  . SER B 1 49 ? -2.21313  43.05163 2.84651   1.000 9.33974   ? 49  SER B CA  1 
ATOM   1056 C C   . SER B 1 49 ? -2.24176  42.13564 4.05979   1.000 9.79532   ? 49  SER B C   1 
ATOM   1057 O O   . SER B 1 49 ? -2.59101  40.95558 3.95466   1.000 10.01124  ? 49  SER B O   1 
ATOM   1058 C CB  . SER B 1 49 ? -3.33606  44.09557 2.91263   1.000 10.31576  ? 49  SER B CB  1 
ATOM   1059 O OG  . SER B 1 49 ? -4.60101  43.49442 3.05946   1.000 10.87084  ? 49  SER B OG  1 
ATOM   1060 N N   . VAL B 1 50 ? -1.88004  42.68189 5.22314   1.000 8.90546   ? 50  VAL B N   1 
ATOM   1061 C CA  . VAL B 1 50 ? -1.78137  41.86451 6.42885   1.000 9.45705   ? 50  VAL B CA  1 
ATOM   1062 C C   . VAL B 1 50 ? -2.07356  42.72617 7.64436   1.000 9.45305   ? 50  VAL B C   1 
ATOM   1063 O O   . VAL B 1 50 ? -1.78832  43.92639 7.66317   1.000 9.97422   ? 50  VAL B O   1 
ATOM   1064 C CB  . VAL B 1 50 ? -0.38808  41.18391 6.55357   1.000 10.51804  ? 50  VAL B CB  1 
ATOM   1065 C CG1 . VAL B 1 50 ? 0.71450   42.21662 6.71952   1.000 10.76825  ? 50  VAL B CG1 1 
ATOM   1066 C CG2 . VAL B 1 50 ? -0.35133  40.18124 7.70581   1.000 10.58740  ? 50  VAL B CG2 1 
ATOM   1067 N N   . THR B 1 51 ? -2.63844  42.09560 8.66857   1.000 9.26792   ? 51  THR B N   1 
ATOM   1068 C CA  . THR B 1 51 ? -2.71716  42.68046 9.99691   1.000 9.81341   ? 51  THR B CA  1 
ATOM   1069 C C   . THR B 1 51 ? -2.53636  41.55850 11.01480  1.000 8.89674   ? 51  THR B C   1 
ATOM   1070 O O   . THR B 1 51 ? -2.69119  40.37798 10.69034  1.000 10.30431  ? 51  THR B O   1 
ATOM   1071 C CB  . THR B 1 51 ? -4.02560  43.46489 10.19511  1.000 9.53974   ? 51  THR B CB  1 
ATOM   1072 O OG1 . THR B 1 51 ? -3.93939  44.23433 11.39811  1.000 10.98788  ? 51  THR B OG1 1 
ATOM   1073 C CG2 . THR B 1 51 ? -5.21986  42.54823 10.27482  1.000 10.98002  ? 51  THR B CG2 1 
ATOM   1074 N N   . SER B 1 52 ? -2.16206  41.91534 12.24221  1.000 9.12907   ? 52  SER B N   1 
ATOM   1075 C CA  . SER B 1 52 ? -1.94447  40.90181 13.26587  1.000 10.67402  ? 52  SER B CA  1 
ATOM   1076 C C   . SER B 1 52 ? -2.22598  41.50226 14.63268  1.000 9.31218   ? 52  SER B C   1 
ATOM   1077 O O   . SER B 1 52 ? -2.16029  42.71769 14.82105  1.000 10.32803  ? 52  SER B O   1 
ATOM   1078 C CB  . SER B 1 52 ? -0.53016  40.30385 13.21657  1.000 10.88403  ? 52  SER B CB  1 
ATOM   1079 O OG  . SER B 1 52 ? 0.45325   41.26160 13.57789  1.000 10.34726  ? 52  SER B OG  1 
ATOM   1080 N N   . TRP B 1 53 ? -2.53710  40.62818 15.58831  1.000 10.13206  ? 53  TRP B N   1 
ATOM   1081 C CA  . TRP B 1 53 ? -2.77695  41.04212 16.96292  1.000 11.12569  ? 53  TRP B CA  1 
ATOM   1082 C C   . TRP B 1 53 ? -2.34849  39.92667 17.89692  1.000 11.26555  ? 53  TRP B C   1 
ATOM   1083 O O   . TRP B 1 53 ? -2.37310  38.74613 17.54529  1.000 11.51596  ? 53  TRP B O   1 
ATOM   1084 C CB  . TRP B 1 53 ? -4.24717  41.38654 17.23089  1.000 11.55128  ? 53  TRP B CB  1 
ATOM   1085 C CG  . TRP B 1 53 ? -5.17888  40.23235 17.05300  1.000 11.77992  ? 53  TRP B CG  1 
ATOM   1086 C CD1 . TRP B 1 53 ? -5.63414  39.37563 18.02879  1.000 12.95735  ? 53  TRP B CD1 1 
ATOM   1087 C CD2 . TRP B 1 53 ? -5.77208  39.79358 15.82725  1.000 11.15650  ? 53  TRP B CD2 1 
ATOM   1088 N NE1 . TRP B 1 53 ? -6.46949  38.44042 17.48220  1.000 12.78254  ? 53  TRP B NE1 1 
ATOM   1089 C CE2 . TRP B 1 53 ? -6.57044  38.67057 16.13481  1.000 11.66576  ? 53  TRP B CE2 1 
ATOM   1090 C CE3 . TRP B 1 53 ? -5.70609  40.23858 14.49949  1.000 11.58658  ? 53  TRP B CE3 1 
ATOM   1091 C CZ2 . TRP B 1 53 ? -7.28985  37.98342 15.16621  1.000 12.56497  ? 53  TRP B CZ2 1 
ATOM   1092 C CZ3 . TRP B 1 53 ? -6.42960  39.55397 13.54167  1.000 13.21703  ? 53  TRP B CZ3 1 
ATOM   1093 C CH2 . TRP B 1 53 ? -7.21059  38.43827 13.87995  1.000 13.14322  ? 53  TRP B CH2 1 
ATOM   1094 N N   . LEU B 1 54 ? -1.96257  40.32218 19.10245  1.000 12.77595  ? 54  LEU B N   1 
ATOM   1095 C CA  . LEU B 1 54 ? -1.58112  39.38878 20.14606  1.000 15.19963  ? 54  LEU B CA  1 
ATOM   1096 C C   . LEU B 1 54 ? -2.75403  39.15703 21.08062  1.000 16.05847  ? 54  LEU B C   1 
ATOM   1097 O O   . LEU B 1 54 ? -3.49762  40.08325 21.40600  1.000 18.56935  ? 54  LEU B O   1 
ATOM   1098 C CB  . LEU B 1 54 ? -0.43064  39.96230 20.96973  1.000 16.07122  ? 54  LEU B CB  1 
ATOM   1099 C CG  . LEU B 1 54 ? 0.95369   39.87349 20.33945  1.000 16.34454  ? 54  LEU B CG  1 
ATOM   1100 C CD1 . LEU B 1 54 ? 1.92601   40.75785 21.11063  1.000 19.77266  ? 54  LEU B CD1 1 
ATOM   1101 C CD2 . LEU B 1 54 ? 1.42959   38.43334 20.29979  1.000 19.20031  ? 54  LEU B CD2 1 
ATOM   1102 N N   . VAL B 1 55 ? -2.91425  37.91107 21.49915  1.000 16.03072  ? 55  VAL B N   1 
ATOM   1103 C CA  . VAL B 1 55 ? -3.77773  37.55101 22.61708  1.000 17.49393  ? 55  VAL B CA  1 
ATOM   1104 C C   . VAL B 1 55 ? -2.84046  36.92608 23.63992  1.000 21.32037  ? 55  VAL B C   1 
ATOM   1105 O O   . VAL B 1 55 ? -2.41655  35.77421 23.48522  1.000 20.55177  ? 55  VAL B O   1 
ATOM   1106 C CB  . VAL B 1 55 ? -4.89202  36.58530 22.20658  1.000 18.92022  ? 55  VAL B CB  1 
ATOM   1107 C CG1 . VAL B 1 55 ? -5.70523  36.16261 23.42241  1.000 24.50207  ? 55  VAL B CG1 1 
ATOM   1108 C CG2 . VAL B 1 55 ? -5.78602  37.23628 21.16241  1.000 22.71344  ? 55  VAL B CG2 1 
ATOM   1109 N N   . GLY B 1 56 ? -2.48143  37.69132 24.66162  1.000 24.17830  ? 56  GLY B N   1 
ATOM   1110 C CA  . GLY B 1 56 ? -1.41367  37.25316 25.54172  1.000 27.97220  ? 56  GLY B CA  1 
ATOM   1111 C C   . GLY B 1 56 ? -0.12207  37.14350 24.75493  1.000 21.29624  ? 56  GLY B C   1 
ATOM   1112 O O   . GLY B 1 56 ? 0.36309   38.12248 24.17197  1.000 27.49017  ? 56  GLY B O   1 
ATOM   1113 N N   . SER B 1 57 ? 0.44073   35.93825 24.71282  1.000 23.48740  ? 57  SER B N   1 
ATOM   1114 C CA  . SER B 1 57 ? 1.67758   35.66896 23.99279  1.000 23.22007  ? 57  SER B CA  1 
ATOM   1115 C C   . SER B 1 57 ? 1.45428   35.08113 22.60057  1.000 20.61017  ? 57  SER B C   1 
ATOM   1116 O O   . SER B 1 57 ? 2.42490   34.90095 21.86166  1.000 23.75728  ? 57  SER B O   1 
ATOM   1117 C CB  . SER B 1 57 ? 2.57202   34.72494 24.81003  1.000 22.93218  ? 57  SER B CB  1 
ATOM   1118 O OG  . SER B 1 57 ? 1.91455   33.49450 25.05753  1.000 32.93423  ? 57  SER B OG  1 
ATOM   1119 N N   . ALA B 1 58 ? 0.21257   34.77345 22.23222  1.000 19.19885  ? 58  ALA B N   1 
ATOM   1120 C CA  . ALA B 1 58 ? -0.08369  34.07984 20.98316  1.000 16.43053  ? 58  ALA B CA  1 
ATOM   1121 C C   . ALA B 1 58 ? -0.39670  35.07952 19.87193  1.000 15.38058  ? 58  ALA B C   1 
ATOM   1122 O O   . ALA B 1 58 ? -1.25774  35.94687 20.03781  1.000 15.70631  ? 58  ALA B O   1 
ATOM   1123 C CB  . ALA B 1 58 ? -1.27680  33.14832 21.19052  1.000 21.01856  ? 58  ALA B CB  1 
ATOM   1124 N N   . ILE B 1 59 ? 0.30816   34.96304 18.73746  1.000 14.66325  ? 59  ILE B N   1 
ATOM   1125 C CA  . ILE B 1 59 ? 0.06150   35.84620 17.60323  1.000 12.03271  ? 59  ILE B CA  1 
ATOM   1126 C C   . ILE B 1 59 ? -1.07492  35.28712 16.75977  1.000 13.45755  ? 59  ILE B C   1 
ATOM   1127 O O   . ILE B 1 59 ? -1.23444  34.07021 16.60071  1.000 13.83737  ? 59  ILE B O   1 
ATOM   1128 C CB  . ILE B 1 59 ? 1.34835   36.05822 16.77871  1.000 14.14020  ? 59  ILE B CB  1 
ATOM   1129 C CG1 . ILE B 1 59 ? 1.17127   37.19894 15.76743  1.000 12.55780  ? 59  ILE B CG1 1 
ATOM   1130 C CG2 . ILE B 1 59 ? 1.77115   34.77139 16.07258  1.000 15.86143  ? 59  ILE B CG2 1 
ATOM   1131 C CD1 . ILE B 1 59 ? 0.90641   38.54383 16.39335  1.000 13.48498  ? 59  ILE B CD1 1 
ATOM   1132 N N   . HIS B 1 60 ? -1.88324  36.19664 16.23211  1.000 10.83753  ? 60  HIS B N   1 
ATOM   1133 C CA  . HIS B 1 60 ? -2.91912  35.90108 15.25921  1.000 11.59936  ? 60  HIS B CA  1 
ATOM   1134 C C   . HIS B 1 60 ? -2.68755  36.80626 14.06597  1.000 10.46983  ? 60  HIS B C   1 
ATOM   1135 O O   . HIS B 1 60 ? -2.53443  38.01836 14.23572  1.000 11.53855  ? 60  HIS B O   1 
ATOM   1136 C CB  . HIS B 1 60 ? -4.28340  36.17898 15.87249  1.000 12.28640  ? 60  HIS B CB  1 
ATOM   1137 C CG  . HIS B 1 60 ? -4.55764  35.32908 17.06764  1.000 13.81427  ? 60  HIS B CG  1 
ATOM   1138 N ND1 . HIS B 1 60 ? -5.27352  34.15377 16.98707  1.000 14.83705  ? 60  HIS B ND1 1 
ATOM   1139 C CD2 . HIS B 1 60 ? -4.16327  35.44605 18.35767  1.000 15.53171  ? 60  HIS B CD2 1 
ATOM   1140 C CE1 . HIS B 1 60 ? -5.33215  33.59777 18.18591  1.000 16.16060  ? 60  HIS B CE1 1 
ATOM   1141 N NE2 . HIS B 1 60 ? -4.66244  34.35883 19.03283  1.000 17.26460  ? 60  HIS B NE2 1 
ATOM   1142 N N   . ILE B 1 61 ? -2.62748  36.21652 12.87847  1.000 10.59857  ? 61  ILE B N   1 
ATOM   1143 C CA  . ILE B 1 61 ? -2.30531  36.94536 11.66047  1.000 10.24070  ? 61  ILE B CA  1 
ATOM   1144 C C   . ILE B 1 61 ? -3.44115  36.74321 10.67477  1.000 10.35572  ? 61  ILE B C   1 
ATOM   1145 O O   . ILE B 1 61 ? -3.98830  35.64070 10.56092  1.000 10.57692  ? 61  ILE B O   1 
ATOM   1146 C CB  . ILE B 1 61 ? -0.97644  36.45565 11.04554  1.000 10.21635  ? 61  ILE B CB  1 
ATOM   1147 C CG1 . ILE B 1 61 ? 0.14048   36.35026 12.09691  1.000 11.65032  ? 61  ILE B CG1 1 
ATOM   1148 C CG2 . ILE B 1 61 ? -0.55610  37.36749 9.90242   1.000 11.03042  ? 61  ILE B CG2 1 
ATOM   1149 C CD1 . ILE B 1 61 ? 1.37660   35.62746 11.56065  1.000 12.81384  ? 61  ILE B CD1 1 
ATOM   1150 N N   . ARG B 1 62 ? -3.77787  37.80418 9.94557   1.000 9.89028   ? 62  ARG B N   1 
ATOM   1151 C CA  . ARG B 1 62 ? -4.73311  37.72630 8.84551   1.000 10.63130  ? 62  ARG B CA  1 
ATOM   1152 C C   . ARG B 1 62 ? -4.08213  38.31368 7.60290   1.000 9.31409   ? 62  ARG B C   1 
ATOM   1153 O O   . ARG B 1 62 ? -3.64171  39.47011 7.61277   1.000 10.11774  ? 62  ARG B O   1 
ATOM   1154 C CB  . ARG B 1 62 ? -6.02839  38.47138 9.16452   1.000 10.71856  ? 62  ARG B CB  1 
ATOM   1155 C CG  . ARG B 1 62 ? -6.79416  37.90518 10.35914  1.000 11.67633  ? 62  ARG B CG  1 
ATOM   1156 C CD  . ARG B 1 62 ? -7.31067  36.49721 10.11157  1.000 11.48117  ? 62  ARG B CD  1 
ATOM   1157 N NE  . ARG B 1 62 ? -8.05595  35.96541 11.25448  1.000 12.67399  ? 62  ARG B NE  1 
ATOM   1158 C CZ  . ARG B 1 62 ? -7.51782  35.28744 12.26633  1.000 11.93211  ? 62  ARG B CZ  1 
ATOM   1159 N NH1 . ARG B 1 62 ? -6.21363  35.04221 12.30319  1.000 12.95547  ? 62  ARG B NH1 1 
ATOM   1160 N NH2 . ARG B 1 62 ? -8.29516  34.85879 13.25484  1.000 13.69648  ? 62  ARG B NH2 1 
ATOM   1161 N N   . VAL B 1 63 ? -4.01523  37.51669 6.54379   1.000 10.63457  ? 63  VAL B N   1 
ATOM   1162 C CA  . VAL B 1 63 ? -3.44498  37.92569 5.26630   1.000 9.47191   ? 63  VAL B CA  1 
ATOM   1163 C C   . VAL B 1 63 ? -4.58050  37.97255 4.25719   1.000 10.57409  ? 63  VAL B C   1 
ATOM   1164 O O   . VAL B 1 63 ? -5.36550  37.01767 4.15982   1.000 12.29997  ? 63  VAL B O   1 
ATOM   1165 C CB  . VAL B 1 63 ? -2.35370  36.93469 4.81379   1.000 10.40057  ? 63  VAL B CB  1 
ATOM   1166 C CG1 . VAL B 1 63 ? -1.87385  37.27050 3.41330   1.000 13.17651  ? 63  VAL B CG1 1 
ATOM   1167 C CG2 . VAL B 1 63 ? -1.18944  36.92208 5.80279   1.000 12.65374  ? 63  VAL B CG2 1 
ATOM   1168 N N   . TYR B 1 64 ? -4.66652  39.07344 3.50947   1.000 9.94091   ? 64  TYR B N   1 
ATOM   1169 C CA  . TYR B 1 64 ? -5.70074  39.27028 2.49365   1.000 9.95415   ? 64  TYR B CA  1 
ATOM   1170 C C   . TYR B 1 64 ? -5.02739  39.18941 1.12906   1.000 11.35957  ? 64  TYR B C   1 
ATOM   1171 O O   . TYR B 1 64 ? -4.25614  40.07662 0.75737   1.000 10.59406  ? 64  TYR B O   1 
ATOM   1172 C CB  . TYR B 1 64 ? -6.46704  40.57996 2.72068   1.000 10.22152  ? 64  TYR B CB  1 
ATOM   1173 C CG  . TYR B 1 64 ? -7.12027  40.52200 4.09291   1.000 10.47527  ? 64  TYR B CG  1 
ATOM   1174 C CD1 . TYR B 1 64 ? -8.36056  39.91495 4.27540   1.000 11.55433  ? 64  TYR B CD1 1 
ATOM   1175 C CD2 . TYR B 1 64 ? -6.45457  40.98351 5.21654   1.000 9.98547   ? 64  TYR B CD2 1 
ATOM   1176 C CE1 . TYR B 1 64 ? -8.93236  39.79511 5.53586   1.000 11.64238  ? 64  TYR B CE1 1 
ATOM   1177 C CE2 . TYR B 1 64 ? -7.01164  40.86394 6.47933   1.000 10.24073  ? 64  TYR B CE2 1 
ATOM   1178 C CZ  . TYR B 1 64 ? -8.24650  40.26744 6.63796   1.000 9.82749   ? 64  TYR B CZ  1 
ATOM   1179 O OH  . TYR B 1 64 ? -8.77309  40.14972 7.91085   1.000 11.13991  ? 64  TYR B OH  1 
ATOM   1180 N N   . ALA B 1 65 ? -5.31460  38.11351 0.39498   1.000 10.91266  ? 65  ALA B N   1 
ATOM   1181 C CA  . ALA B 1 65 ? -4.68949  37.82107 -0.89035  1.000 11.66096  ? 65  ALA B CA  1 
ATOM   1182 C C   . ALA B 1 65 ? -5.70442  38.06662 -1.99847  1.000 12.92135  ? 65  ALA B C   1 
ATOM   1183 O O   . ALA B 1 65 ? -6.81799  37.53856 -1.94457  1.000 13.48856  ? 65  ALA B O   1 
ATOM   1184 C CB  . ALA B 1 65 ? -4.26157  36.35467 -0.91265  1.000 12.83905  ? 65  ALA B CB  1 
ATOM   1185 N N   . SER B 1 66 ? -5.33298  38.86995 -2.98795  1.000 11.73621  ? 66  SER B N   1 
ATOM   1186 C CA  . SER B 1 66 ? -6.26719  39.22429 -4.05179  1.000 13.28574  ? 66  SER B CA  1 
ATOM   1187 C C   . SER B 1 66 ? -5.76148  38.79875 -5.42022  1.000 13.54945  ? 66  SER B C   1 
ATOM   1188 O O   . SER B 1 66 ? -4.59093  39.00214 -5.75467  1.000 14.70122  ? 66  SER B O   1 
ATOM   1189 C CB  . SER B 1 66 ? -6.56015  40.71896 -4.08376  1.000 13.58173  ? 66  SER B CB  1 
ATOM   1190 O OG  . SER B 1 66 ? -7.12885  41.13547 -2.85619  1.000 14.00362  ? 66  SER B OG  1 
ATOM   1191 N N   . THR B 1 67 ? -6.68468  38.25527 -6.21711  1.000 14.98592  ? 67  THR B N   1 
ATOM   1192 C CA  . THR B 1 67 ? -6.50479  37.99241 -7.63923  1.000 16.01438  ? 67  THR B CA  1 
ATOM   1193 C C   . THR B 1 67 ? -7.76436  38.45618 -8.34784  1.000 15.96027  ? 67  THR B C   1 
ATOM   1194 O O   . THR B 1 67 ? -8.86779  38.04995 -7.97333  1.000 18.03056  ? 67  THR B O   1 
ATOM   1195 C CB  . THR B 1 67 ? -6.33432  36.49630 -7.90189  1.000 18.37684  ? 67  THR B CB  1 
ATOM   1196 O OG1 . THR B 1 67 ? -5.22875  35.99041 -7.14752  1.000 22.16352  ? 67  THR B OG1 1 
ATOM   1197 C CG2 . THR B 1 67 ? -6.11377  36.23955 -9.39100  1.000 24.52707  ? 67  THR B CG2 1 
ATOM   1198 N N   . GLY B 1 68 ? -7.60477  39.29440 -9.36837  1.000 18.70892  ? 68  GLY B N   1 
ATOM   1199 C CA  . GLY B 1 68 ? -8.78877  39.87051 -9.98311  1.000 20.43513  ? 68  GLY B CA  1 
ATOM   1200 C C   . GLY B 1 68 ? -9.56536  40.63802 -8.93355  1.000 22.53914  ? 68  GLY B C   1 
ATOM   1201 O O   . GLY B 1 68 ? -8.99091  41.39932 -8.14852  1.000 19.51237  ? 68  GLY B O   1 
ATOM   1202 N N   . THR B 1 69 ? -10.87885 40.42398 -8.88060  1.000 18.95706  ? 69  THR B N   1 
ATOM   1203 C CA  . THR B 1 69 ? -11.71712 41.07768 -7.88509  1.000 22.55663  ? 69  THR B CA  1 
ATOM   1204 C C   . THR B 1 69 ? -11.99813 40.20016 -6.67189  1.000 19.14549  ? 69  THR B C   1 
ATOM   1205 O O   . THR B 1 69 ? -12.85659 40.55546 -5.86043  1.000 25.03647  ? 69  THR B O   1 
ATOM   1206 C CB  . THR B 1 69 ? -13.04460 41.52882 -8.49883  1.000 24.95161  ? 69  THR B CB  1 
ATOM   1207 O OG1 . THR B 1 69 ? -13.66302 40.42159 -9.16277  1.000 25.67879  ? 69  THR B OG1 1 
ATOM   1208 C CG2 . THR B 1 69 ? -12.82229 42.65760 -9.49735  1.000 31.90491  ? 69  THR B CG2 1 
ATOM   1209 N N   . THR B 1 70 ? -11.30802 39.06792 -6.52671  1.000 18.71477  ? 70  THR B N   1 
ATOM   1210 C CA  . THR B 1 70 ? -11.56609 38.12705 -5.44145  1.000 18.65497  ? 70  THR B CA  1 
ATOM   1211 C C   . THR B 1 70 ? -10.45282 38.22917 -4.40862  1.000 15.67943  ? 70  THR B C   1 
ATOM   1212 O O   . THR B 1 70 ? -9.27803  38.03056 -4.73553  1.000 17.26075  ? 70  THR B O   1 
ATOM   1213 C CB  . THR B 1 70 ? -11.66682 36.69069 -5.95608  1.000 21.60970  ? 70  THR B CB  1 
ATOM   1214 O OG1 . THR B 1 70 ? -12.75173 36.59244 -6.88728  1.000 27.92757  ? 70  THR B OG1 1 
ATOM   1215 C CG2 . THR B 1 70 ? -11.92644 35.73442 -4.80088  1.000 24.76347  ? 70  THR B CG2 1 
ATOM   1216 N N   . THR B 1 71 ? -10.83082 38.50934 -3.16821  1.000 14.81980  ? 71  THR B N   1 
ATOM   1217 C CA  . THR B 1 71 ? -9.90379  38.58286 -2.04912  1.000 13.60040  ? 71  THR B CA  1 
ATOM   1218 C C   . THR B 1 71 ? -10.20192 37.42661 -1.10678  1.000 13.20114  ? 71  THR B C   1 
ATOM   1219 O O   . THR B 1 71 ? -11.35401 37.23565 -0.70154  1.000 16.99627  ? 71  THR B O   1 
ATOM   1220 C CB  . THR B 1 71 ? -10.07499 39.91313 -1.31532  1.000 15.59236  ? 71  THR B CB  1 
ATOM   1221 O OG1 . THR B 1 71 ? -9.76594  40.99319 -2.20534  1.000 16.41454  ? 71  THR B OG1 1 
ATOM   1222 C CG2 . THR B 1 71 ? -9.16513  39.97990 -0.09049  1.000 14.34346  ? 71  THR B CG2 1 
ATOM   1223 N N   . THR B 1 72 ? -9.17394  36.65293 -0.77505  1.000 12.04941  ? 72  THR B N   1 
ATOM   1224 C CA  . THR B 1 72 ? -9.28532  35.53537 0.15157   1.000 12.82551  ? 72  THR B CA  1 
ATOM   1225 C C   . THR B 1 72 ? -8.51943  35.88510 1.41744   1.000 12.41325  ? 72  THR B C   1 
ATOM   1226 O O   . THR B 1 72 ? -7.36717  36.32764 1.34159   1.000 12.80670  ? 72  THR B O   1 
ATOM   1227 C CB  . THR B 1 72 ? -8.67355  34.27369 -0.46696  1.000 12.63221  ? 72  THR B CB  1 
ATOM   1228 O OG1 . THR B 1 72 ? -9.28742  34.00471 -1.73521  1.000 13.98883  ? 72  THR B OG1 1 
ATOM   1229 C CG2 . THR B 1 72 ? -8.86735  33.07680 0.44902   1.000 15.88282  ? 72  THR B CG2 1 
ATOM   1230 N N   . GLU B 1 73 ? -9.13954  35.65209 2.57211   1.000 11.95854  ? 73  GLU B N   1 
ATOM   1231 C CA  . GLU B 1 73 ? -8.47994  35.84466 3.85393   1.000 12.38591  ? 73  GLU B CA  1 
ATOM   1232 C C   . GLU B 1 73 ? -7.88056  34.52655 4.31975   1.000 12.37342  ? 73  GLU B C   1 
ATOM   1233 O O   . GLU B 1 73 ? -8.54547  33.48163 4.28208   1.000 13.67553  ? 73  GLU B O   1 
ATOM   1234 C CB  . GLU B 1 73 ? -9.50192  36.32472 4.88230   1.000 12.02400  ? 73  GLU B CB  1 
ATOM   1235 C CG  . GLU B 1 73 ? -8.98478  36.44318 6.31821   1.000 12.15121  ? 73  GLU B CG  1 
ATOM   1236 C CD  . GLU B 1 73 ? -10.10027 36.73059 7.30702   1.000 13.01290  ? 73  GLU B CD  1 
ATOM   1237 O OE1 . GLU B 1 73 ? -11.10094 35.97730 7.29321   1.000 12.93075  ? 73  GLU B OE1 1 
ATOM   1238 O OE2 . GLU B 1 73 ? -9.98093  37.68916 8.11112   1.000 12.23739  ? 73  GLU B OE2 1 
ATOM   1239 N N   . TRP B 1 74 ? -6.62891  34.57823 4.75546   1.000 11.27478  ? 74  TRP B N   1 
ATOM   1240 C CA  . TRP B 1 74 ? -5.92242  33.44465 5.32254   1.000 12.70019  ? 74  TRP B CA  1 
ATOM   1241 C C   . TRP B 1 74 ? -5.58997  33.77180 6.76985   1.000 11.45446  ? 74  TRP B C   1 
ATOM   1242 O O   . TRP B 1 74 ? -5.17589  34.89312 7.08872   1.000 11.71288  ? 74  TRP B O   1 
ATOM   1243 C CB  . TRP B 1 74 ? -4.65781  33.14710 4.52109   1.000 12.07511  ? 74  TRP B CB  1 
ATOM   1244 C CG  . TRP B 1 74 ? -4.99655  32.64925 3.15746   1.000 13.33151  ? 74  TRP B CG  1 
ATOM   1245 C CD1 . TRP B 1 74 ? -4.97466  33.35158 1.98909   1.000 12.23876  ? 74  TRP B CD1 1 
ATOM   1246 C CD2 . TRP B 1 74 ? -5.46094  31.33764 2.83257   1.000 13.42141  ? 74  TRP B CD2 1 
ATOM   1247 N NE1 . TRP B 1 74 ? -5.37937  32.54333 0.94748   1.000 12.46519  ? 74  TRP B NE1 1 
ATOM   1248 C CE2 . TRP B 1 74 ? -5.68154  31.30273 1.44373   1.000 13.92958  ? 74  TRP B CE2 1 
ATOM   1249 C CE3 . TRP B 1 74 ? -5.68976  30.18140 3.58076   1.000 14.71774  ? 74  TRP B CE3 1 
ATOM   1250 C CZ2 . TRP B 1 74 ? -6.13244  30.15345 0.78741   1.000 16.01658  ? 74  TRP B CZ2 1 
ATOM   1251 C CZ3 . TRP B 1 74 ? -6.13639  29.04407 2.92797   1.000 17.56212  ? 74  TRP B CZ3 1 
ATOM   1252 C CH2 . TRP B 1 74 ? -6.35279  29.04084 1.54735   1.000 17.69315  ? 74  TRP B CH2 1 
ATOM   1253 N N   . CYS B 1 75 ? -5.78048  32.79655 7.64772   1.000 12.17961  ? 75  CYS B N   1 
ATOM   1254 C CA  . CYS B 1 75 ? -5.70763  33.01374 9.08667   1.000 11.53334  ? 75  CYS B CA  1 
ATOM   1255 C C   . CYS B 1 75 ? -4.62248  32.14373 9.70082   1.000 12.96421  ? 75  CYS B C   1 
ATOM   1256 O O   . CYS B 1 75 ? -4.61152  30.92469 9.49386   1.000 13.71105  ? 75  CYS B O   1 
ATOM   1257 C CB  . CYS B 1 75 ? -7.02977  32.61909 9.74739   1.000 14.76172  ? 75  CYS B CB  1 
ATOM   1258 S SG  . CYS B 1 75 ? -8.47776  33.38068 9.01560   1.000 14.41632  ? 75  CYS B SG  1 
ATOM   1259 N N   . TRP B 1 76 ? -3.74623  32.75257 10.49551  1.000 11.75340  ? 76  TRP B N   1 
ATOM   1260 C CA  . TRP B 1 76 ? -2.81970  32.02159 11.34639  1.000 13.22966  ? 76  TRP B CA  1 
ATOM   1261 C C   . TRP B 1 76 ? -3.23203  32.25144 12.79124  1.000 12.29459  ? 76  TRP B C   1 
ATOM   1262 O O   . TRP B 1 76 ? -3.24180  33.39280 13.26643  1.000 12.81402  ? 76  TRP B O   1 
ATOM   1263 C CB  . TRP B 1 76 ? -1.37192  32.46018 11.14383  1.000 12.14967  ? 76  TRP B CB  1 
ATOM   1264 C CG  . TRP B 1 76 ? -0.45266  31.71194 12.06553  1.000 15.74252  ? 76  TRP B CG  1 
ATOM   1265 C CD1 . TRP B 1 76 ? -0.09750  32.06114 13.33846  1.000 15.65562  ? 76  TRP B CD1 1 
ATOM   1266 C CD2 . TRP B 1 76 ? 0.19048   30.46298 11.80295  1.000 16.04122  ? 76  TRP B CD2 1 
ATOM   1267 N NE1 . TRP B 1 76 ? 0.74484   31.11302 13.87611  1.000 16.69101  ? 76  TRP B NE1 1 
ATOM   1268 C CE2 . TRP B 1 76 ? 0.93692   30.11991 12.95266  1.000 15.00442  ? 76  TRP B CE2 1 
ATOM   1269 C CE3 . TRP B 1 76 ? 0.21862   29.60659 10.70428  1.000 16.72255  ? 76  TRP B CE3 1 
ATOM   1270 C CZ2 . TRP B 1 76 ? 1.70045   28.94896 13.03083  1.000 15.57404  ? 76  TRP B CZ2 1 
ATOM   1271 C CZ3 . TRP B 1 76 ? 0.98732   28.45292 10.77943  1.000 17.11623  ? 76  TRP B CZ3 1 
ATOM   1272 C CH2 . TRP B 1 76 ? 1.71072   28.13458 11.93372  1.000 19.87067  ? 76  TRP B CH2 1 
ATOM   1273 N N   . ASP B 1 77 ? -3.58667  31.16550 13.47775  1.000 13.22305  ? 77  ASP B N   1 
ATOM   1274 C CA  . ASP B 1 77 ? -3.97868  31.22090 14.87777  1.000 14.74020  ? 77  ASP B CA  1 
ATOM   1275 C C   . ASP B 1 77 ? -3.19903  30.20379 15.69108  1.000 13.62341  ? 77  ASP B C   1 
ATOM   1276 O O   . ASP B 1 77 ? -3.67305  29.73010 16.73037  1.000 18.14505  ? 77  ASP B O   1 
ATOM   1277 C CB  . ASP B 1 77 ? -5.48391  31.03766 15.04250  1.000 16.63664  ? 77  ASP B CB  1 
ATOM   1278 C CG  . ASP B 1 77 ? -6.26956  32.07177 14.26655  1.000 14.49450  ? 77  ASP B CG  1 
ATOM   1279 O OD1 . ASP B 1 77 ? -6.26119  33.25097 14.66570  1.000 15.74273  ? 77  ASP B OD1 1 
ATOM   1280 O OD2 . ASP B 1 77 ? -6.86588  31.69946 13.23641  1.000 18.78432  ? 77  ASP B OD2 1 
ATOM   1281 N N   . GLY B 1 78 ? -1.99601  29.87688 15.23967  1.000 14.59310  ? 78  GLY B N   1 
ATOM   1282 C CA  . GLY B 1 78 ? -1.09869  29.00507 15.95637  1.000 17.16238  ? 78  GLY B CA  1 
ATOM   1283 C C   . GLY B 1 78 ? -0.99523  27.59955 15.40889  1.000 16.54060  ? 78  GLY B C   1 
ATOM   1284 O O   . GLY B 1 78 ? -0.10697  26.85863 15.84946  1.000 20.18437  ? 78  GLY B O   1 
ATOM   1285 N N   . ASN B 1 79 ? -1.85386  27.21036 14.46669  1.000 17.49761  ? 79  ASN B N   1 
ATOM   1286 C CA  . ASN B 1 79 ? -1.93649  25.81838 14.02484  1.000 17.28015  ? 79  ASN B CA  1 
ATOM   1287 C C   . ASN B 1 79 ? -2.23535  25.73218 12.53269  1.000 19.60185  ? 79  ASN B C   1 
ATOM   1288 O O   . ASN B 1 79 ? -3.17009  25.05566 12.10266  1.000 24.74106  ? 79  ASN B O   1 
ATOM   1289 C CB  . ASN B 1 79 ? -2.99458  25.05212 14.81827  1.000 22.02063  ? 79  ASN B CB  1 
ATOM   1290 C CG  . ASN B 1 79 ? -2.68504  24.99030 16.29654  1.000 23.30355  ? 79  ASN B CG  1 
ATOM   1291 O OD1 . ASN B 1 79 ? -3.33502  25.65241 17.10661  1.000 27.14623  ? 79  ASN B OD1 1 
ATOM   1292 N ND2 . ASN B 1 79 ? -1.69394  24.18243 16.66218  1.000 22.68109  ? 79  ASN B ND2 1 
ATOM   1293 N N   . GLY B 1 80 ? -1.43220  26.40099 11.72088  1.000 16.02877  ? 80  GLY B N   1 
ATOM   1294 C CA  . GLY B 1 80 ? -1.58123  26.31459 10.28239  1.000 16.31517  ? 80  GLY B CA  1 
ATOM   1295 C C   . GLY B 1 80 ? -2.43627  27.43153 9.70425   1.000 13.77544  ? 80  GLY B C   1 
ATOM   1296 O O   . GLY B 1 80 ? -3.23668  28.06388 10.38797  1.000 16.55109  ? 80  GLY B O   1 
ATOM   1297 N N   . TRP B 1 81 ? -2.25594  27.66861 8.41022   1.000 14.52055  ? 81  TRP B N   1 
ATOM   1298 C CA  . TRP B 1 81 ? -2.98984  28.71041 7.70326   1.000 15.08479  ? 81  TRP B CA  1 
ATOM   1299 C C   . TRP B 1 81 ? -4.32533  28.16135 7.22026   1.000 16.37795  ? 81  TRP B C   1 
ATOM   1300 O O   . TRP B 1 81 ? -4.36132  27.21397 6.42762   1.000 18.59089  ? 81  TRP B O   1 
ATOM   1301 C CB  . TRP B 1 81 ? -2.16948  29.21307 6.52335   1.000 14.97298  ? 81  TRP B CB  1 
ATOM   1302 C CG  . TRP B 1 81 ? -1.00663  30.02796 6.95458   1.000 13.08442  ? 81  TRP B CG  1 
ATOM   1303 C CD1 . TRP B 1 81 ? 0.27953   29.60620 7.13026   1.000 14.76314  ? 81  TRP B CD1 1 
ATOM   1304 C CD2 . TRP B 1 81 ? -1.02665  31.41608 7.30279   1.000 12.95937  ? 81  TRP B CD2 1 
ATOM   1305 N NE1 . TRP B 1 81 ? 1.06906   30.65648 7.54606   1.000 13.61723  ? 81  TRP B NE1 1 
ATOM   1306 C CE2 . TRP B 1 81 ? 0.28703   31.77707 7.65721   1.000 11.53946  ? 81  TRP B CE2 1 
ATOM   1307 C CE3 . TRP B 1 81 ? -2.02853  32.39592 7.33013   1.000 12.36796  ? 81  TRP B CE3 1 
ATOM   1308 C CZ2 . TRP B 1 81 ? 0.62784   33.07297 8.02813   1.000 12.35937  ? 81  TRP B CZ2 1 
ATOM   1309 C CZ3 . TRP B 1 81 ? -1.68277  33.68371 7.69165   1.000 12.42946  ? 81  TRP B CZ3 1 
ATOM   1310 C CH2 . TRP B 1 81 ? -0.37012  34.01024 8.02726   1.000 11.74501  ? 81  TRP B CH2 1 
ATOM   1311 N N   . THR B 1 82 ? -5.41721  28.76573 7.67583   1.000 14.99021  ? 82  THR B N   1 
ATOM   1312 C CA  . THR B 1 82 ? -6.75859  28.32540 7.32733   1.000 16.22190  ? 82  THR B CA  1 
ATOM   1313 C C   . THR B 1 82 ? -7.50509  29.44157 6.60937   1.000 16.47456  ? 82  THR B C   1 
ATOM   1314 O O   . THR B 1 82 ? -7.26022  30.62858 6.84473   1.000 15.55280  ? 82  THR B O   1 
ATOM   1315 C CB  . THR B 1 82 ? -7.54272  27.92058 8.59124   1.000 19.56281  ? 82  THR B CB  1 
ATOM   1316 O OG1 . THR B 1 82 ? -7.70537  29.06152 9.44562   1.000 21.15636  ? 82  THR B OG1 1 
ATOM   1317 C CG2 . THR B 1 82 ? -6.80064  26.83869 9.35614   1.000 22.05899  ? 82  THR B CG2 1 
ATOM   1318 N N   . LYS B 1 83 ? -8.43926  29.05706 5.74788   1.000 15.33804  ? 83  LYS B N   1 
ATOM   1319 C CA  . LYS B 1 83 ? -9.23827  30.04485 5.03913   1.000 16.14968  ? 83  LYS B CA  1 
ATOM   1320 C C   . LYS B 1 83 ? -10.22359 30.72209 5.98429   1.000 17.55621  ? 83  LYS B C   1 
ATOM   1321 O O   . LYS B 1 83 ? -10.94372 30.05875 6.73788   1.000 20.31639  ? 83  LYS B O   1 
ATOM   1322 C CB  . LYS B 1 83 ? -9.97344  29.39559 3.87122   1.000 19.91896  ? 83  LYS B CB  1 
ATOM   1323 C CG  . LYS B 1 83 ? -10.35232 30.40004 2.79901   1.000 22.82604  ? 83  LYS B CG  1 
ATOM   1324 C CD  . LYS B 1 83 ? -11.24711 29.79762 1.74123   1.000 28.15931  ? 83  LYS B CD  1 
ATOM   1325 C CE  . LYS B 1 83 ? -10.42045 29.02469 0.73329   1.000 30.15746  ? 83  LYS B CE  1 
ATOM   1326 N NZ  . LYS B 1 83 ? -11.26622 28.49356 -0.36702  1.000 30.32495  ? 83  LYS B NZ  1 
ATOM   1327 N N   . GLY B 1 84 ? -10.24696 32.05601 5.95134   1.000 15.81032  ? 84  GLY B N   1 
ATOM   1328 C CA  . GLY B 1 84 ? -11.13002 32.81333 6.81065   1.000 15.01619  ? 84  GLY B CA  1 
ATOM   1329 C C   . GLY B 1 84 ? -12.48028 33.09622 6.17759   1.000 15.01743  ? 84  GLY B C   1 
ATOM   1330 O O   . GLY B 1 84 ? -12.70987 32.86279 4.99174   1.000 16.27125  ? 84  GLY B O   1 
ATOM   1331 N N   . ALA B 1 85 ? -13.37645 33.63003 7.00144   1.000 14.95564  ? 85  ALA B N   1 
ATOM   1332 C CA  . ALA B 1 85 ? -14.75041 33.88431 6.58766   1.000 16.27658  ? 85  ALA B CA  1 
ATOM   1333 C C   . ALA B 1 85 ? -14.91708 35.15507 5.76420   1.000 15.20277  ? 85  ALA B C   1 
ATOM   1334 O O   . ALA B 1 85 ? -16.02109 35.40700 5.26997   1.000 16.44124  ? 85  ALA B O   1 
ATOM   1335 C CB  . ALA B 1 85 ? -15.66215 33.94720 7.81521   1.000 17.71245  ? 85  ALA B CB  1 
ATOM   1336 N N   . TYR B 1 86 ? -13.86471 35.95884 5.61610   1.000 13.88284  ? 86  TYR B N   1 
ATOM   1337 C CA  . TYR B 1 86 ? -13.97344 37.22835 4.91175   1.000 13.17226  ? 86  TYR B CA  1 
ATOM   1338 C C   . TYR B 1 86 ? -14.59796 37.04946 3.53807   1.000 16.16279  ? 86  TYR B C   1 
ATOM   1339 O O   . TYR B 1 86 ? -14.21758 36.15407 2.78258   1.000 15.47070  ? 86  TYR B O   1 
ATOM   1340 C CB  . TYR B 1 86 ? -12.58622 37.83763 4.73527   1.000 13.93587  ? 86  TYR B CB  1 
ATOM   1341 C CG  . TYR B 1 86 ? -12.60970 39.09999 3.91902   1.000 11.77695  ? 86  TYR B CG  1 
ATOM   1342 C CD1 . TYR B 1 86 ? -12.82982 40.32111 4.51781   1.000 12.17655  ? 86  TYR B CD1 1 
ATOM   1343 C CD2 . TYR B 1 86 ? -12.43763 39.06983 2.54074   1.000 14.03685  ? 86  TYR B CD2 1 
ATOM   1344 C CE1 . TYR B 1 86 ? -12.87196 41.47549 3.78032   1.000 12.28334  ? 86  TYR B CE1 1 
ATOM   1345 C CE2 . TYR B 1 86 ? -12.48021 40.23354 1.79027   1.000 15.17100  ? 86  TYR B CE2 1 
ATOM   1346 C CZ  . TYR B 1 86 ? -12.70235 41.43315 2.41922   1.000 13.84157  ? 86  TYR B CZ  1 
ATOM   1347 O OH  . TYR B 1 86 ? -12.75297 42.59942 1.69107   1.000 14.91133  ? 86  TYR B OH  1 
ATOM   1348 N N   . THR B 1 87 ? -15.54466 37.92980 3.21902   1.000 15.44957  ? 87  THR B N   1 
ATOM   1349 C CA  . THR B 1 87 ? -16.07359 38.08446 1.87210   1.000 17.59401  ? 87  THR B CA  1 
ATOM   1350 C C   . THR B 1 87 ? -16.17968 39.57463 1.58453   1.000 17.44480  ? 87  THR B C   1 
ATOM   1351 O O   . THR B 1 87 ? -16.27507 40.39841 2.49757   1.000 18.08214  ? 87  THR B O   1 
ATOM   1352 C CB  . THR B 1 87 ? -17.46422 37.44330 1.70541   1.000 20.77196  ? 87  THR B CB  1 
ATOM   1353 O OG1 . THR B 1 87 ? -18.36619 38.00748 2.66226   1.000 23.36223  ? 87  THR B OG1 1 
ATOM   1354 C CG2 . THR B 1 87 ? -17.40071 35.93476 1.89514   1.000 23.63166  ? 87  THR B CG2 1 
ATOM   1355 N N   . ALA B 1 88 ? -16.17971 39.91471 0.29611   1.000 23.00837  ? 88  ALA B N   1 
ATOM   1356 C CA  . ALA B 1 88 ? -16.30073 41.30325 -0.12525  1.000 24.05775  ? 88  ALA B CA  1 
ATOM   1357 C C   . ALA B 1 88 ? -17.76930 41.72444 -0.15644  1.000 37.51755  ? 88  ALA B C   1 
ATOM   1358 O O   . ALA B 1 88 ? -18.67724 40.93754 0.12528   1.000 53.09883  ? 88  ALA B O   1 
ATOM   1359 C CB  . ALA B 1 88 ? -15.62068 41.51235 -1.47652  1.000 36.65778  ? 88  ALA B CB  1 
ATOM   1360 N N   . THR B 1 89 ? -18.00907 42.98641 -0.50785  1.000 52.82918  ? 89  THR B N   1 
ATOM   1361 C CA  . THR B 1 89 ? -19.36514 43.53023 -0.55893  0.000 43.13704  ? 89  THR B CA  1 
ATOM   1362 C C   . THR B 1 89 ? -20.01628 43.08088 -1.86125  0.000 48.05478  ? 89  THR B C   1 
ATOM   1363 O O   . THR B 1 89 ? -19.78524 43.66802 -2.92093  0.000 61.21453  ? 89  THR B O   1 
ATOM   1364 C CB  . THR B 1 89 ? -19.33343 45.05149 -0.47282  0.000 48.32456  ? 89  THR B CB  1 
ATOM   1365 O OG1 . THR B 1 89 ? -18.71663 45.45301 0.75326   0.000 43.58590  ? 89  THR B OG1 1 
ATOM   1366 C CG2 . THR B 1 89 ? -20.75132 45.60378 -0.50947  0.000 45.52575  ? 89  THR B CG2 1 
ATOM   1367 N N   . ASN B 1 90 ? -20.83756 42.03832 -1.78759  0.000 29.92692  ? 90  ASN B N   1 
ATOM   1368 C CA  . ASN B 1 90 ? -21.53120 41.53083 -2.96639  0.000 29.92553  ? 90  ASN B CA  1 
ATOM   1369 C C   . ASN B 1 90 ? -23.03115 41.40690 -2.71924  0.000 29.92553  ? 90  ASN B C   1 
ATOM   1370 O O   . ASN B 1 90 ? -23.83245 41.48955 -3.65063  0.000 29.92553  ? 90  ASN B O   1 
ATOM   1371 C CB  . ASN B 1 90 ? -20.95254 40.18026 -3.39335  0.000 29.92553  ? 90  ASN B CB  1 
ATOM   1372 C CG  . ASN B 1 90 ? -19.44473 40.21444 -3.54317  0.000 29.92553  ? 90  ASN B CG  1 
ATOM   1373 O OD1 . ASN B 1 90 ? -18.89636 41.07943 -4.22638  0.000 29.92553  ? 90  ASN B OD1 1 
ATOM   1374 N ND2 . ASN B 1 90 ? -18.76512 39.27089 -2.90198  0.000 29.92553  ? 90  ASN B ND2 1 
HETATM 1375 C C39 . 7AZ C 2 .  ? 4.48141   21.61149 28.60581  1.000 21.45616  ? 101 7AZ A C39 1 
HETATM 1376 C C40 . 7AZ C 2 .  ? 4.49234   20.83681 29.91249  1.000 22.67544  ? 101 7AZ A C40 1 
HETATM 1377 C C26 . 7AZ C 2 .  ? -5.02705  20.00931 32.54613  1.000 27.45620  ? 101 7AZ A C26 1 
HETATM 1378 C C27 . 7AZ C 2 .  ? -2.74792  20.78474 32.33637  1.000 19.74926  ? 101 7AZ A C27 1 
HETATM 1379 C C28 . 7AZ C 2 .  ? -1.46960  21.29415 32.97719  1.000 20.39564  ? 101 7AZ A C28 1 
HETATM 1380 C C29 . 7AZ C 2 .  ? -0.49810  20.19225 33.36023  1.000 19.02900  ? 101 7AZ A C29 1 
HETATM 1381 C C30 . 7AZ C 2 .  ? 1.28145   18.16671 34.06939  1.000 20.26086  ? 101 7AZ A C30 1 
HETATM 1382 C C31 . 7AZ C 2 .  ? 0.46299   19.73370 32.45365  1.000 19.58909  ? 101 7AZ A C31 1 
HETATM 1383 C C32 . 7AZ C 2 .  ? -0.55222  19.61435 34.62099  1.000 22.40176  ? 101 7AZ A C32 1 
HETATM 1384 C C33 . 7AZ C 2 .  ? 0.33368   18.60685 34.99036  1.000 23.49327  ? 101 7AZ A C33 1 
HETATM 1385 C C34 . 7AZ C 2 .  ? 1.36629   18.72560 32.80102  1.000 20.66894  ? 101 7AZ A C34 1 
HETATM 1386 C C35 . 7AZ C 2 .  ? 2.39881   18.22456 31.80707  1.000 19.10037  ? 101 7AZ A C35 1 
HETATM 1387 O O38 . 7AZ C 2 .  ? -1.92825  21.02802 27.54351  1.000 20.82815  ? 101 7AZ A O38 1 
HETATM 1388 C C1  . 7AZ C 2 .  ? 4.65269   25.42073 28.46811  1.000 26.44493  ? 101 7AZ A C1  1 
HETATM 1389 C C2  . 7AZ C 2 .  ? 2.76216   23.44703 28.96398  1.000 22.18772  ? 101 7AZ A C2  1 
HETATM 1390 C C3  . 7AZ C 2 .  ? 3.34076   25.76619 28.77031  1.000 22.03997  ? 101 7AZ A C3  1 
HETATM 1391 C C4  . 7AZ C 2 .  ? 5.00831   24.07395 28.42104  1.000 23.92066  ? 101 7AZ A C4  1 
HETATM 1392 C C5  . 7AZ C 2 .  ? 4.07897   23.07483 28.67987  1.000 22.86579  ? 101 7AZ A C5  1 
HETATM 1393 C C6  . 7AZ C 2 .  ? 2.38816   24.79375 29.03253  1.000 23.15573  ? 101 7AZ A C6  1 
HETATM 1394 C C7  . 7AZ C 2 .  ? 0.96641   25.20198 29.36549  1.000 23.41896  ? 101 7AZ A C7  1 
HETATM 1395 C C8  . 7AZ C 2 .  ? 0.15057   25.37639 28.10244  1.000 26.24080  ? 101 7AZ A C8  1 
HETATM 1396 C C9  . 7AZ C 2 .  ? -1.33777  25.69022 25.77223  1.000 24.86627  ? 101 7AZ A C9  1 
HETATM 1397 C C10 . 7AZ C 2 .  ? 0.05594   26.61787 27.48990  1.000 24.23489  ? 101 7AZ A C10 1 
HETATM 1398 C C11 . 7AZ C 2 .  ? -0.50819  24.28792 27.52837  1.000 20.13682  ? 101 7AZ A C11 1 
HETATM 1399 C C12 . 7AZ C 2 .  ? -1.26022  24.44029 26.36391  1.000 22.63750  ? 101 7AZ A C12 1 
HETATM 1400 C C13 . 7AZ C 2 .  ? -0.68715  26.78584 26.32579  1.000 26.93399  ? 101 7AZ A C13 1 
HETATM 1401 C C14 . 7AZ C 2 .  ? -1.96748  23.26073 25.73576  1.000 25.46705  ? 101 7AZ A C14 1 
HETATM 1402 C C15 . 7AZ C 2 .  ? -3.19455  22.75413 26.46423  1.000 18.10930  ? 101 7AZ A C15 1 
HETATM 1403 C C16 . 7AZ C 2 .  ? -5.46801  21.78271 27.74905  1.000 22.16625  ? 101 7AZ A C16 1 
HETATM 1404 C C17 . 7AZ C 2 .  ? -4.42699  23.35730 26.26268  1.000 23.36011  ? 101 7AZ A C17 1 
HETATM 1405 C C18 . 7AZ C 2 .  ? -3.12014  21.64890 27.31476  1.000 19.70837  ? 101 7AZ A C18 1 
HETATM 1406 C C19 . 7AZ C 2 .  ? -4.24816  21.15862 27.96901  1.000 17.92387  ? 101 7AZ A C19 1 
HETATM 1407 C C20 . 7AZ C 2 .  ? -5.56757  22.88194 26.89936  1.000 22.87798  ? 101 7AZ A C20 1 
HETATM 1408 C C21 . 7AZ C 2 .  ? -4.13923  19.94007 28.86245  1.000 19.62133  ? 101 7AZ A C21 1 
HETATM 1409 C C22 . 7AZ C 2 .  ? -4.02282  20.14821 30.35844  1.000 19.32466  ? 101 7AZ A C22 1 
HETATM 1410 C C23 . 7AZ C 2 .  ? -3.84947  20.47706 33.12056  1.000 23.74471  ? 101 7AZ A C23 1 
HETATM 1411 C C24 . 7AZ C 2 .  ? -2.84428  20.61264 30.95219  1.000 18.99632  ? 101 7AZ A C24 1 
HETATM 1412 C C25 . 7AZ C 2 .  ? -5.09905  19.84002 31.17132  1.000 26.52272  ? 101 7AZ A C25 1 
HETATM 1413 O O72 . 7AZ C 2 .  ? 6.57311   19.75263 34.41296  1.000 29.60289  ? 101 7AZ A O72 1 
HETATM 1414 P P51 . 7AZ C 2 .  ? 6.92106   20.52393 33.16818  1.000 23.29546  ? 101 7AZ A P51 1 
HETATM 1415 O O52 . 7AZ C 2 .  ? 8.16554   19.94687 32.54978  1.000 24.16545  ? 101 7AZ A O52 1 
HETATM 1416 O O63 . 7AZ C 2 .  ? 7.07834   21.99624 33.46861  1.000 29.60328  ? 101 7AZ A O63 1 
HETATM 1417 C C44 . 7AZ C 2 .  ? 5.56699   20.30737 32.00875  1.000 19.47397  ? 101 7AZ A C44 1 
HETATM 1418 C C43 . 7AZ C 2 .  ? 5.53537   21.01086 30.80986  1.000 21.25200  ? 101 7AZ A C43 1 
HETATM 1419 P P49 . 7AZ C 2 .  ? 5.87593   26.71010 28.14350  1.000 28.44259  ? 101 7AZ A P49 1 
HETATM 1420 O O62 . 7AZ C 2 .  ? 5.54616   27.89779 29.01078  1.000 53.92846  ? 101 7AZ A O62 1 
HETATM 1421 O O61 . 7AZ C 2 .  ? 7.22410   26.16070 28.51780  1.000 32.41442  ? 101 7AZ A O61 1 
HETATM 1422 O O50 . 7AZ C 2 .  ? 5.81629   27.07157 26.68299  1.000 42.36740  ? 101 7AZ A O50 1 
HETATM 1423 C C41 . 7AZ C 2 .  ? 4.54829   19.41370 32.31112  1.000 21.28902  ? 101 7AZ A C41 1 
HETATM 1424 C C45 . 7AZ C 2 .  ? 3.49336   19.20990 31.43876  1.000 20.95731  ? 101 7AZ A C45 1 
HETATM 1425 C C42 . 7AZ C 2 .  ? 3.47320   19.93211 30.23921  1.000 20.14913  ? 101 7AZ A C42 1 
HETATM 1426 O O48 . 7AZ C 2 .  ? 2.45256   19.73024 29.35551  1.000 20.06592  ? 101 7AZ A O48 1 
HETATM 1427 O O47 . 7AZ C 2 .  ? 0.53385   20.29509 31.21313  1.000 18.34760  ? 101 7AZ A O47 1 
HETATM 1428 P P53 . 7AZ C 2 .  ? 0.24213   17.87392 36.64515  1.000 23.38993  ? 101 7AZ A P53 1 
HETATM 1429 O O65 . 7AZ C 2 .  ? 1.00029   16.56974 36.61756  1.000 41.68873  ? 101 7AZ A O65 1 
HETATM 1430 O O64 . 7AZ C 2 .  ? -1.21117  17.64401 36.97510  1.000 35.55620  ? 101 7AZ A O64 1 
HETATM 1431 O O54 . 7AZ C 2 .  ? 0.84287   18.84791 37.62433  1.000 44.38919  ? 101 7AZ A O54 1 
HETATM 1432 O O46 . 7AZ C 2 .  ? -1.76355  20.92284 30.18689  1.000 19.66719  ? 101 7AZ A O46 1 
HETATM 1433 P P55 . 7AZ C 2 .  ? -6.44993  19.61377 33.56125  1.000 24.99329  ? 101 7AZ A P55 1 
HETATM 1434 O O69 . 7AZ C 2 .  ? -7.67784  19.68160 32.68877  1.000 56.44470  ? 101 7AZ A O69 1 
HETATM 1435 O O68 . 7AZ C 2 .  ? -6.52630  20.62523 34.67619  1.000 62.52308  ? 101 7AZ A O68 1 
HETATM 1436 O O56 . 7AZ C 2 .  ? -6.25792  18.22607 34.11190  1.000 41.46571  ? 101 7AZ A O56 1 
HETATM 1437 P P57 . 7AZ C 2 .  ? -7.15652  23.70112 26.64041  1.000 30.18459  ? 101 7AZ A P57 1 
HETATM 1438 O O67 . 7AZ C 2 .  ? -7.17503  24.94822 27.49341  1.000 39.75206  ? 101 7AZ A O67 1 
HETATM 1439 O O66 . 7AZ C 2 .  ? -7.26619  24.06620 25.18226  1.000 39.24122  ? 101 7AZ A O66 1 
HETATM 1440 O O58 . 7AZ C 2 .  ? -8.23953  22.75479 27.07873  1.000 25.83006  ? 101 7AZ A O58 1 
HETATM 1441 P P59 . 7AZ C 2 .  ? -0.81118  28.40151 25.53280  1.000 38.17695  ? 101 7AZ A P59 1 
HETATM 1442 O O71 . 7AZ C 2 .  ? -2.13234  28.46073 24.81169  1.000 48.57529  ? 101 7AZ A O71 1 
HETATM 1443 O O70 . 7AZ C 2 .  ? -0.75160  29.45946 26.60402  1.000 67.97168  ? 101 7AZ A O70 1 
HETATM 1444 O O60 . 7AZ C 2 .  ? 0.33567   28.53778 24.56573  1.000 58.10179  ? 101 7AZ A O60 1 
HETATM 1445 O O37 . 7AZ C 2 .  ? -0.42721  23.05786 28.11306  1.000 22.66207  ? 101 7AZ A O37 1 
HETATM 1446 O O36 . 7AZ C 2 .  ? 1.84220   22.47027 29.20784  1.000 21.91340  ? 101 7AZ A O36 1 
HETATM 1447 C C39 . 7AZ D 2 .  ? 23.05153  10.15362 10.94903  1.000 17.34121  ? 102 7AZ A C39 1 
HETATM 1448 C C40 . 7AZ D 2 .  ? 24.21209  9.22825  10.64555  1.000 17.75357  ? 102 7AZ A C40 1 
HETATM 1449 C C26 . 7AZ D 2 .  ? 21.49420  4.80517  2.12028   1.000 26.19212  ? 102 7AZ A C26 1 
HETATM 1450 C C27 . 7AZ D 2 .  ? 22.40338  6.41111  3.67967   1.000 23.15617  ? 102 7AZ A C27 1 
HETATM 1451 C C28 . 7AZ D 2 .  ? 23.57329  7.25859  4.14607   1.000 22.19417  ? 102 7AZ A C28 1 
HETATM 1452 C C29 . 7AZ D 2 .  ? 24.47303  6.50589  5.11035   1.000 21.45820  ? 102 7AZ A C29 1 
HETATM 1453 C C30 . 7AZ D 2 .  ? 26.11730  5.11771  6.88549   1.000 24.68939  ? 102 7AZ A C30 1 
HETATM 1454 C C31 . 7AZ D 2 .  ? 24.24127  6.55228  6.48821   1.000 20.74627  ? 102 7AZ A C31 1 
HETATM 1455 C C32 . 7AZ D 2 .  ? 25.54178  5.75189  4.64224   1.000 24.53335  ? 102 7AZ A C32 1 
HETATM 1456 C C33 . 7AZ D 2 .  ? 26.37365  5.06221  5.52138   1.000 26.52486  ? 102 7AZ A C33 1 
HETATM 1457 C C34 . 7AZ D 2 .  ? 25.06745  5.86911  7.38608   1.000 22.33093  ? 102 7AZ A C34 1 
HETATM 1458 C C35 . 7AZ D 2 .  ? 24.81374  5.89476  8.87909   1.000 20.84914  ? 102 7AZ A C35 1 
HETATM 1459 O O38 . 7AZ D 2 .  ? 18.53776  7.47012  6.80397   1.000 22.68403  ? 102 7AZ A O38 1 
HETATM 1460 C C1  . 7AZ D 2 .  ? 22.83029  13.75053 9.77411   1.000 19.10154  ? 102 7AZ A C1  1 
HETATM 1461 C C2  . 7AZ D 2 .  ? 22.32107  11.21867 8.75454   1.000 15.61817  ? 102 7AZ A C2  1 
HETATM 1462 C C3  . 7AZ D 2 .  ? 22.34660  13.60050 8.47589   1.000 17.53510  ? 102 7AZ A C3  1 
HETATM 1463 C C4  . 7AZ D 2 .  ? 23.05123  12.62257 10.54966  1.000 17.46373  ? 102 7AZ A C4  1 
HETATM 1464 C C5  . 7AZ D 2 .  ? 22.82135  11.35232 10.05256  1.000 16.58782  ? 102 7AZ A C5  1 
HETATM 1465 C C6  . 7AZ D 2 .  ? 22.09071  12.33964 7.95221   1.000 15.99482  ? 102 7AZ A C6  1 
HETATM 1466 C C7  . 7AZ D 2 .  ? 21.54912  12.18124 6.54379   1.000 16.57623  ? 102 7AZ A C7  1 
HETATM 1467 C C8  . 7AZ D 2 .  ? 20.03211  12.23448 6.51328   1.000 17.65531  ? 102 7AZ A C8  1 
HETATM 1468 C C9  . 7AZ D 2 .  ? 17.24991  12.37163 6.44797   1.000 19.86613  ? 102 7AZ A C9  1 
HETATM 1469 C C10 . 7AZ D 2 .  ? 19.38940  13.45334 6.34678   1.000 19.23177  ? 102 7AZ A C10 1 
HETATM 1470 C C11 . 7AZ D 2 .  ? 19.25415  11.07771 6.64829   1.000 17.76621  ? 102 7AZ A C11 1 
HETATM 1471 C C12 . 7AZ D 2 .  ? 17.85770  11.13695 6.61339   1.000 19.56078  ? 102 7AZ A C12 1 
HETATM 1472 C C13 . 7AZ D 2 .  ? 18.00024  13.53493 6.32641   1.000 20.78085  ? 102 7AZ A C13 1 
HETATM 1473 C C14 . 7AZ D 2 .  ? 17.00795  9.88887  6.77660   1.000 20.07336  ? 102 7AZ A C14 1 
HETATM 1474 C C15 . 7AZ D 2 .  ? 17.08190  8.93596  5.59938   1.000 21.23437  ? 102 7AZ A C15 1 
HETATM 1475 C C16 . 7AZ D 2 .  ? 17.18814  7.19402  3.42871   1.000 22.47105  ? 102 7AZ A C16 1 
HETATM 1476 C C17 . 7AZ D 2 .  ? 16.36943  9.21033  4.44170   1.000 22.37499  ? 102 7AZ A C17 1 
HETATM 1477 C C18 . 7AZ D 2 .  ? 17.84954  7.76822  5.65935   1.000 22.08905  ? 102 7AZ A C18 1 
HETATM 1478 C C19 . 7AZ D 2 .  ? 17.92246  6.89536  4.56947   1.000 22.61002  ? 102 7AZ A C19 1 
HETATM 1479 C C20 . 7AZ D 2 .  ? 16.41466  8.35148  3.35002   1.000 24.18720  ? 102 7AZ A C20 1 
HETATM 1480 C C21 . 7AZ D 2 .  ? 18.75983  5.63091  4.64127   1.000 23.19675  ? 102 7AZ A C21 1 
HETATM 1481 C C22 . 7AZ D 2 .  ? 20.09791  5.63635  3.91729   1.000 23.87977  ? 102 7AZ A C22 1 
HETATM 1482 C C23 . 7AZ D 2 .  ? 22.54636  5.59439  2.56912   1.000 24.59696  ? 102 7AZ A C23 1 
HETATM 1483 C C24 . 7AZ D 2 .  ? 21.17299  6.42348  4.34997   1.000 23.35623  ? 102 7AZ A C24 1 
HETATM 1484 C C25 . 7AZ D 2 .  ? 20.28182  4.82803  2.80376   1.000 24.84840  ? 102 7AZ A C25 1 
HETATM 1485 O O72 . 7AZ D 2 .  ? 28.05912  9.91799  12.70328  1.000 28.53430  ? 102 7AZ A O72 1 
HETATM 1486 P P51 . 7AZ D 2 .  ? 28.19654  9.05050  11.47708  1.000 25.34325  ? 102 7AZ A P51 1 
HETATM 1487 O O52 . 7AZ D 2 .  ? 28.89905  9.81420  10.38937  1.000 27.61561  ? 102 7AZ A O52 1 
HETATM 1488 O O63 . 7AZ D 2 .  ? 28.90831  7.75943  11.79040  1.000 29.37899  ? 102 7AZ A O63 1 
HETATM 1489 C C44 . 7AZ D 2 .  ? 26.54635  8.65025  10.86974  1.000 21.01097  ? 102 7AZ A C44 1 
HETATM 1490 C C43 . 7AZ D 2 .  ? 25.48161  9.50791  11.12609  1.000 18.95283  ? 102 7AZ A C43 1 
HETATM 1491 P P49 . 7AZ D 2 .  ? 23.15160  15.37648 10.47514  1.000 23.01442  ? 102 7AZ A P49 1 
HETATM 1492 O O62 . 7AZ D 2 .  ? 21.84878  15.87958 11.04872  1.000 27.81518  ? 102 7AZ A O62 1 
HETATM 1493 O O61 . 7AZ D 2 .  ? 23.65599  16.28984 9.39614   1.000 29.47752  ? 102 7AZ A O61 1 
HETATM 1494 O O50 . 7AZ D 2 .  ? 24.15121  15.24495 11.59138  1.000 26.38081  ? 102 7AZ A O50 1 
HETATM 1495 C C41 . 7AZ D 2 .  ? 26.32443  7.48536  10.13758  1.000 20.18119  ? 102 7AZ A C41 1 
HETATM 1496 C C45 . 7AZ D 2 .  ? 25.06258  7.17835  9.64727   1.000 19.11599  ? 102 7AZ A C45 1 
HETATM 1497 C C42 . 7AZ D 2 .  ? 24.01113  8.05577  9.91570   1.000 18.19936  ? 102 7AZ A C42 1 
HETATM 1498 O O48 . 7AZ D 2 .  ? 22.76493  7.77167  9.44339   1.000 19.33522  ? 102 7AZ A O48 1 
HETATM 1499 O O47 . 7AZ D 2 .  ? 23.19206  7.28161  6.96679   1.000 20.02458  ? 102 7AZ A O47 1 
HETATM 1500 P P53 . 7AZ D 2 .  ? 27.75867  4.08272  4.90898   1.000 32.71693  ? 102 7AZ A P53 1 
HETATM 1501 O O65 . 7AZ D 2 .  ? 27.88429  4.31928  3.43485   1.000 34.83791  ? 102 7AZ A O65 1 
HETATM 1502 O O64 . 7AZ D 2 .  ? 29.01261  4.52062  5.61809   1.000 34.07742  ? 102 7AZ A O64 1 
HETATM 1503 O O54 . 7AZ D 2 .  ? 27.47723  2.63023  5.20776   1.000 36.07985  ? 102 7AZ A O54 1 
HETATM 1504 O O46 . 7AZ D 2 .  ? 21.02754  7.22654  5.44129   1.000 23.27869  ? 102 7AZ A O46 1 
HETATM 1505 P P55 . 7AZ D 2 .  ? 21.71618  3.74757  0.67948   1.000 29.26081  ? 102 7AZ A P55 1 
HETATM 1506 O O69 . 7AZ D 2 .  ? 22.73560  2.70031  1.04468   1.000 32.83344  ? 102 7AZ A O69 1 
HETATM 1507 O O68 . 7AZ D 2 .  ? 22.21332  4.59376  -0.46600  1.000 33.17217  ? 102 7AZ A O68 1 
HETATM 1508 O O56 . 7AZ D 2 .  ? 20.39120  3.11371  0.33625   1.000 33.02236  ? 102 7AZ A O56 1 
HETATM 1509 P P57 . 7AZ D 2 .  ? 15.48049  8.74762  1.84872   1.000 26.94918  ? 102 7AZ A P57 1 
HETATM 1510 O O67 . 7AZ D 2 .  ? 14.12557  9.28177  2.23841   1.000 31.20846  ? 102 7AZ A O67 1 
HETATM 1511 O O66 . 7AZ D 2 .  ? 16.26407  9.76733  1.05510   1.000 30.83276  ? 102 7AZ A O66 1 
HETATM 1512 O O58 . 7AZ D 2 .  ? 15.33670  7.47946  1.05214   1.000 31.15135  ? 102 7AZ A O58 1 
HETATM 1513 P P59 . 7AZ D 2 .  ? 17.16872  15.12452 6.12474   1.000 22.90395  ? 102 7AZ A P59 1 
HETATM 1514 O O71 . 7AZ D 2 .  ? 16.01603  14.92582 5.17942   1.000 25.20530  ? 102 7AZ A O71 1 
HETATM 1515 O O70 . 7AZ D 2 .  ? 16.67493  15.56961 7.47995   1.000 24.97475  ? 102 7AZ A O70 1 
HETATM 1516 O O60 . 7AZ D 2 .  ? 18.14620  16.11337 5.55321   1.000 25.76704  ? 102 7AZ A O60 1 
HETATM 1517 O O37 . 7AZ D 2 .  ? 19.84417  9.85903  6.82249   1.000 18.17362  ? 102 7AZ A O37 1 
HETATM 1518 O O36 . 7AZ D 2 .  ? 22.06242  9.97736  8.24731   1.000 16.67161  ? 102 7AZ A O36 1 
HETATM 1519 C C1  . BDF E 3 .  ? -9.26068  16.20801 14.06953  1.000 16.68294  ? 103 BDF A C1  1 
HETATM 1520 C C2  . BDF E 3 .  ? -10.21582 15.03321 14.19652  1.000 14.74657  ? 103 BDF A C2  1 
HETATM 1521 C C3  . BDF E 3 .  ? -10.49342 14.69354 15.66673  1.000 13.31391  ? 103 BDF A C3  1 
HETATM 1522 C C4  . BDF E 3 .  ? -11.29215 13.40096 15.75563  1.000 13.17802  ? 103 BDF A C4  1 
HETATM 1523 C C5  . BDF E 3 .  ? -10.54906 12.28394 15.03634  1.000 12.45130  ? 103 BDF A C5  1 
HETATM 1524 C C6  . BDF E 3 .  ? -10.30248 12.70602 13.60281  1.000 13.13896  ? 103 BDF A C6  1 
HETATM 1525 O O1  . BDF E 3 .  ? -9.09077  16.57380 12.70633  1.000 23.97908  ? 103 BDF A O1  1 
HETATM 1526 O O2  . BDF E 3 .  ? -11.44719 15.29427 13.57677  1.000 17.37879  ? 103 BDF A O2  1 
HETATM 1527 O O3  . BDF E 3 .  ? -11.20991 15.75885 16.28501  1.000 14.93468  ? 103 BDF A O3  1 
HETATM 1528 O O4  . BDF E 3 .  ? -11.54382 13.09622 17.12156  1.000 13.15691  ? 103 BDF A O4  1 
HETATM 1529 O O5  . BDF E 3 .  ? -9.28270  12.02505 15.64717  1.000 12.14831  ? 103 BDF A O5  1 
HETATM 1530 O O6  . BDF E 3 .  ? -9.56758  13.93711 13.55596  1.000 14.91315  ? 103 BDF A O6  1 
HETATM 1531 C C1  . BDF F 3 .  ? 9.18937   16.42110 14.35023  1.000 16.12246  ? 104 BDF A C1  1 
HETATM 1532 C C2  . BDF F 3 .  ? 7.69313   16.53360 14.59279  1.000 13.30486  ? 104 BDF A C2  1 
HETATM 1533 C C3  . BDF F 3 .  ? 7.36688   16.47839 16.09020  1.000 13.74299  ? 104 BDF A C3  1 
HETATM 1534 C C4  . BDF F 3 .  ? 5.85628   16.42352 16.28582  1.000 12.95878  ? 104 BDF A C4  1 
HETATM 1535 C C5  . BDF F 3 .  ? 5.27717   15.24148 15.52046  1.000 13.00367  ? 104 BDF A C5  1 
HETATM 1536 C C6  . BDF F 3 .  ? 5.67043   15.35218 14.06063  1.000 13.39498  ? 104 BDF A C6  1 
HETATM 1537 O O1  . BDF F 3 .  ? 9.51775   16.68418 12.99333  1.000 22.36502  ? 104 BDF A O1  1 
HETATM 1538 O O2  . BDF F 3 .  ? 7.18155   17.74104 14.10123  1.000 15.67871  ? 104 BDF A O2  1 
HETATM 1539 O O3  . BDF F 3 .  ? 7.90936   17.61989 16.75739  1.000 14.57620  ? 104 BDF A O3  1 
HETATM 1540 O O4  . BDF F 3 .  ? 5.54816   16.36157 17.67364  1.000 13.97839  ? 104 BDF A O4  1 
HETATM 1541 O O5  . BDF F 3 .  ? 5.79370   14.00873 16.02806  1.000 12.25705  ? 104 BDF A O5  1 
HETATM 1542 O O6  . BDF F 3 .  ? 7.09820   15.42229 13.92428  1.000 13.29316  ? 104 BDF A O6  1 
HETATM 1543 C C39 . 7AZ G 2 .  ? 0.40557   29.70225 -5.64258  1.000 17.29238  ? 101 7AZ B C39 1 
HETATM 1544 C C40 . 7AZ G 2 .  ? 1.43346   28.64100 -5.29879  1.000 17.21924  ? 101 7AZ B C40 1 
HETATM 1545 C C26 . 7AZ G 2 .  ? -3.28644  21.46286 -0.15923  1.000 24.46587  ? 101 7AZ B C26 1 
HETATM 1546 C C27 . 7AZ G 2 .  ? -2.35982  22.79866 -1.95038  1.000 20.65917  ? 101 7AZ B C27 1 
HETATM 1547 C C28 . 7AZ G 2 .  ? -1.52445  22.90150 -3.21380  1.000 20.12166  ? 101 7AZ B C28 1 
HETATM 1548 C C29 . 7AZ G 2 .  ? -0.05983  23.17440 -2.91844  1.000 19.41494  ? 101 7AZ B C29 1 
HETATM 1549 C C30 . 7AZ G 2 .  ? 2.63235   23.66653 -2.37182  1.000 20.37959  ? 101 7AZ B C30 1 
HETATM 1550 C C31 . 7AZ G 2 .  ? 0.43214   24.48195 -2.85113  1.000 18.85848  ? 101 7AZ B C31 1 
HETATM 1551 C C32 . 7AZ G 2 .  ? 0.82389   22.12324 -2.70946  1.000 19.67055  ? 101 7AZ B C32 1 
HETATM 1552 C C33 . 7AZ G 2 .  ? 2.17122   22.35698 -2.43942  1.000 20.55888  ? 101 7AZ B C33 1 
HETATM 1553 C C34 . 7AZ G 2 .  ? 1.77978   24.73789 -2.59112  1.000 18.64554  ? 101 7AZ B C34 1 
HETATM 1554 C C35 . 7AZ G 2 .  ? 2.30103   26.15954 -2.49971  1.000 17.54329  ? 101 7AZ B C35 1 
HETATM 1555 O O38 . 7AZ G 2 .  ? -4.12544  27.24029 -1.37244  1.000 19.90917  ? 101 7AZ B O38 1 
HETATM 1556 C C1  . 7AZ G 2 .  ? -1.70181  29.49945 -8.82180  1.000 18.44291  ? 101 7AZ B C1  1 
HETATM 1557 C C2  . 7AZ G 2 .  ? -1.64615  28.35648 -6.28975  1.000 16.07516  ? 101 7AZ B C2  1 
HETATM 1558 C C3  . 7AZ G 2 .  ? -2.66809  28.57211 -8.44476  1.000 18.14255  ? 101 7AZ B C3  1 
HETATM 1559 C C4  . 7AZ G 2 .  ? -0.71388  29.85932 -7.90630  1.000 17.67274  ? 101 7AZ B C4  1 
HETATM 1560 C C5  . 7AZ G 2 .  ? -0.66747  29.29307 -6.63720  1.000 16.23326  ? 101 7AZ B C5  1 
HETATM 1561 C C6  . 7AZ G 2 .  ? -2.65875  27.99342 -7.18336  1.000 16.65099  ? 101 7AZ B C6  1 
HETATM 1562 C C7  . 7AZ G 2 .  ? -3.72049  26.97586 -6.80428  1.000 16.34464  ? 101 7AZ B C7  1 
HETATM 1563 C C8  . 7AZ G 2 .  ? -4.94189  27.60791 -6.15957  1.000 17.76537  ? 101 7AZ B C8  1 
HETATM 1564 C C9  . 7AZ G 2 .  ? -7.18951  28.77461 -4.99167  1.000 19.70720  ? 101 7AZ B C9  1 
HETATM 1565 C C10 . 7AZ G 2 .  ? -6.00649  28.03088 -6.94233  1.000 20.43592  ? 101 7AZ B C10 1 
HETATM 1566 C C11 . 7AZ G 2 .  ? -5.02063  27.78033 -4.77371  1.000 17.74696  ? 101 7AZ B C11 1 
HETATM 1567 C C12 . 7AZ G 2 .  ? -6.14471  28.36592 -4.17986  1.000 19.23036  ? 101 7AZ B C12 1 
HETATM 1568 C C13 . 7AZ G 2 .  ? -7.13109  28.61649 -6.36990  1.000 21.33121  ? 101 7AZ B C13 1 
HETATM 1569 C C14 . 7AZ G 2 .  ? -6.23902  28.58186 -2.68350  1.000 20.85547  ? 101 7AZ B C14 1 
HETATM 1570 C C15 . 7AZ G 2 .  ? -6.45912  27.38014 -1.78655  1.000 20.45783  ? 101 7AZ B C15 1 
HETATM 1571 C C16 . 7AZ G 2 .  ? -6.84379  25.21544 -0.07339  1.000 23.45037  ? 101 7AZ B C16 1 
HETATM 1572 C C17 . 7AZ G 2 .  ? -7.73471  26.89008 -1.55251  1.000 21.87177  ? 101 7AZ B C17 1 
HETATM 1573 C C18 . 7AZ G 2 .  ? -5.38082  26.77491 -1.13990  1.000 20.98268  ? 101 7AZ B C18 1 
HETATM 1574 C C19 . 7AZ G 2 .  ? -5.55821  25.68489 -0.28660  1.000 21.92280  ? 101 7AZ B C19 1 
HETATM 1575 C C20 . 7AZ G 2 .  ? -7.93386  25.79960 -0.71018  1.000 23.09328  ? 101 7AZ B C20 1 
HETATM 1576 C C21 . 7AZ G 2 .  ? -4.37314  25.05142 0.41455   1.000 22.23784  ? 101 7AZ B C21 1 
HETATM 1577 C C22 . 7AZ G 2 .  ? -3.72744  23.83705 -0.22245  1.000 22.57308  ? 101 7AZ B C22 1 
HETATM 1578 C C23 . 7AZ G 2 .  ? -2.52861  21.57252 -1.32169  1.000 22.46396  ? 101 7AZ B C23 1 
HETATM 1579 C C24 . 7AZ G 2 .  ? -2.96108  23.93130 -1.38970  1.000 21.68793  ? 101 7AZ B C24 1 
HETATM 1580 C C25 . 7AZ G 2 .  ? -3.87180  22.60027 0.38169   1.000 23.48774  ? 101 7AZ B C25 1 
HETATM 1581 O O72 . 7AZ G 2 .  ? 4.61363   28.03918 -8.24561  1.000 23.34368  ? 101 7AZ B O72 1 
HETATM 1582 P P51 . 7AZ G 2 .  ? 4.75411   27.09910 -7.06954  1.000 19.57419  ? 101 7AZ B P51 1 
HETATM 1583 O O52 . 7AZ G 2 .  ? 4.65613   25.67640 -7.54053  1.000 22.22628  ? 101 7AZ B O52 1 
HETATM 1584 O O63 . 7AZ G 2 .  ? 6.02770   27.42057 -6.34842  1.000 21.08432  ? 101 7AZ B O63 1 
HETATM 1585 C C44 . 7AZ G 2 .  ? 3.41609   27.40679 -5.91398  1.000 18.32535  ? 101 7AZ B C44 1 
HETATM 1586 C C43 . 7AZ G 2 .  ? 2.45821   28.37175 -6.19178  1.000 17.25334  ? 101 7AZ B C43 1 
HETATM 1587 P P49 . 7AZ G 2 .  ? -1.75622  30.24041 -10.47732 1.000 19.03270  ? 101 7AZ B P49 1 
HETATM 1588 O O62 . 7AZ G 2 .  ? -0.81430  31.41640 -10.48876 1.000 26.52149  ? 101 7AZ B O62 1 
HETATM 1589 O O61 . 7AZ G 2 .  ? -3.16833  30.69406 -10.73320 1.000 25.62866  ? 101 7AZ B O61 1 
HETATM 1590 O O50 . 7AZ G 2 .  ? -1.39879  29.19865 -11.50011 1.000 25.89658  ? 101 7AZ B O50 1 
HETATM 1591 C C41 . 7AZ G 2 .  ? 3.35095   26.70567 -4.71579  1.000 18.20230  ? 101 7AZ B C41 1 
HETATM 1592 C C45 . 7AZ G 2 .  ? 2.33857   26.94435 -3.79918  1.000 18.07243  ? 101 7AZ B C45 1 
HETATM 1593 C C42 . 7AZ G 2 .  ? 1.37571   27.91522 -4.10162  1.000 16.51999  ? 101 7AZ B C42 1 
HETATM 1594 O O48 . 7AZ G 2 .  ? 0.38948   28.18919 -3.19289  1.000 18.04118  ? 101 7AZ B O48 1 
HETATM 1595 O O47 . 7AZ G 2 .  ? -0.39617  25.54864 -3.03672  1.000 19.02803  ? 101 7AZ B O47 1 
HETATM 1596 P P53 . 7AZ G 2 .  ? 3.30882   20.98448 -2.14687  1.000 24.02128  ? 101 7AZ B P53 1 
HETATM 1597 O O65 . 7AZ G 2 .  ? 3.30546   20.69746 -0.66878  1.000 27.38260  ? 101 7AZ B O65 1 
HETATM 1598 O O64 . 7AZ G 2 .  ? 2.81369   19.78696 -2.91208  1.000 24.87137  ? 101 7AZ B O64 1 
HETATM 1599 O O54 . 7AZ G 2 .  ? 4.68617   21.39351 -2.60505  1.000 27.60934  ? 101 7AZ B O54 1 
HETATM 1600 O O46 . 7AZ G 2 .  ? -2.79515  25.14102 -2.00091  1.000 21.34179  ? 101 7AZ B O46 1 
HETATM 1601 P P55 . 7AZ G 2 .  ? -3.49928  19.87746 0.66093   1.000 31.40227  ? 101 7AZ B P55 1 
HETATM 1602 O O69 . 7AZ G 2 .  ? -3.42489  18.79088 -0.37306  1.000 32.07733  ? 101 7AZ B O69 1 
HETATM 1603 O O68 . 7AZ G 2 .  ? -4.83904  19.88786 1.34866   1.000 31.37430  ? 101 7AZ B O68 1 
HETATM 1604 O O56 . 7AZ G 2 .  ? -2.38106  19.73208 1.66208   1.000 34.72161  ? 101 7AZ B O56 1 
HETATM 1605 P P57 . 7AZ G 2 .  ? -9.58786  25.14606 -0.43060  1.000 28.59273  ? 101 7AZ B P57 1 
HETATM 1606 O O67 . 7AZ G 2 .  ? -9.71843  24.82410 1.03286   1.000 31.28528  ? 101 7AZ B O67 1 
HETATM 1607 O O66 . 7AZ G 2 .  ? -9.72404  23.89765 -1.26654  1.000 30.44551  ? 101 7AZ B O66 1 
HETATM 1608 O O58 . 7AZ G 2 .  ? -10.58940 26.17354 -0.87857  1.000 28.59945  ? 101 7AZ B O58 1 
HETATM 1609 P P59 . 7AZ G 2 .  ? -8.51218  29.15428 -7.39431  1.000 22.76812  ? 101 7AZ B P59 1 
HETATM 1610 O O71 . 7AZ G 2 .  ? -9.49958  29.88596 -6.51857  1.000 28.56277  ? 101 7AZ B O71 1 
HETATM 1611 O O70 . 7AZ G 2 .  ? -7.97637  30.05684 -8.47541  1.000 30.09223  ? 101 7AZ B O70 1 
HETATM 1612 O O60 . 7AZ G 2 .  ? -9.14350  27.93481 -8.01354  1.000 30.51312  ? 101 7AZ B O60 1 
HETATM 1613 O O37 . 7AZ G 2 .  ? -3.97033  27.36466 -4.01000  1.000 18.02054  ? 101 7AZ B O37 1 
HETATM 1614 O O36 . 7AZ G 2 .  ? -1.60211  27.80464 -5.04365  1.000 16.02039  ? 101 7AZ B O36 1 
HETATM 1615 C C39 . 7AZ H 2 .  ? 20.20345  33.65504 19.73292  1.000 21.17599  ? 102 7AZ B C39 1 
HETATM 1616 C C40 . 7AZ H 2 .  ? 20.71741  33.58401 18.30889  1.000 19.75525  ? 102 7AZ B C40 1 
HETATM 1617 C C26 . 7AZ H 2 .  ? 24.36409  41.03798 20.94336  1.000 26.79126  ? 102 7AZ B C26 1 
HETATM 1618 C C27 . 7AZ H 2 .  ? 23.08657  40.27358 19.03606  1.000 30.67076  ? 102 7AZ B C27 1 
HETATM 1619 C C28 . 7AZ H 2 .  ? 22.82007  40.29364 17.54309  1.000 28.44648  ? 102 7AZ B C28 1 
HETATM 1620 C C29 . 7AZ H 2 .  ? 23.15594  39.04168 16.75417  1.000 24.44344  ? 102 7AZ B C29 1 
HETATM 1621 C C30 . 7AZ H 2 .  ? 23.77777  36.76957 15.25935  1.000 23.25626  ? 102 7AZ B C30 1 
HETATM 1622 C C31 . 7AZ H 2 .  ? 22.17563  38.09102 16.45395  1.000 21.56699  ? 102 7AZ B C31 1 
HETATM 1623 C C32 . 7AZ H 2 .  ? 24.44412  38.83608 16.28445  1.000 23.02734  ? 102 7AZ B C32 1 
HETATM 1624 C C33 . 7AZ H 2 .  ? 24.76669  37.70270 15.54548  1.000 25.88401  ? 102 7AZ B C33 1 
HETATM 1625 C C34 . 7AZ H 2 .  ? 22.47930  36.94665 15.70854  1.000 28.10626  ? 102 7AZ B C34 1 
HETATM 1626 C C35 . 7AZ H 2 .  ? 21.41468  35.92419 15.36207  1.000 21.70173  ? 102 7AZ B C35 1 
HETATM 1627 O O38 . 7AZ H 2 .  ? 19.13266  38.54502 20.94600  1.000 26.15923  ? 102 7AZ B O38 1 
HETATM 1628 C C1  . 7AZ H 2 .  ? 16.80263  32.00283 20.16813  1.000 27.05302  ? 102 7AZ B C1  1 
HETATM 1629 C C2  . 7AZ H 2 .  ? 17.82115  34.55289 19.77032  1.000 20.99278  ? 102 7AZ B C2  1 
HETATM 1630 C C3  . 7AZ H 2 .  ? 15.94760  33.09350 20.08442  1.000 26.42139  ? 102 7AZ B C3  1 
HETATM 1631 C C4  . 7AZ H 2 .  ? 18.17465  32.19848 20.04770  1.000 22.42482  ? 102 7AZ B C4  1 
HETATM 1632 C C5  . 7AZ H 2 .  ? 18.70163  33.46656 19.84771  1.000 20.37460  ? 102 7AZ B C5  1 
HETATM 1633 C C6  . 7AZ H 2 .  ? 16.43934  34.37474 19.90295  1.000 18.38419  ? 102 7AZ B C6  1 
HETATM 1634 C C7  . 7AZ H 2 .  ? 15.46857  35.53688 19.79860  1.000 23.55350  ? 102 7AZ B C7  1 
HETATM 1635 C C8  . 7AZ H 2 .  ? 15.43083  36.51819 20.95511  1.000 23.18943  ? 102 7AZ B C8  1 
HETATM 1636 C C9  . 7AZ H 2 .  ? 15.34428  38.35038 23.05420  1.000 22.96297  ? 102 7AZ B C9  1 
HETATM 1637 C C10 . 7AZ H 2 .  ? 14.71039  36.23539 22.10768  1.000 24.45564  ? 102 7AZ B C10 1 
HETATM 1638 C C11 . 7AZ H 2 .  ? 16.10397  37.73802 20.86939  1.000 20.79984  ? 102 7AZ B C11 1 
HETATM 1639 C C12 . 7AZ H 2 .  ? 16.07445  38.65952 21.91712  1.000 23.22374  ? 102 7AZ B C12 1 
HETATM 1640 C C13 . 7AZ H 2 .  ? 14.66528  37.14103 23.16494  1.000 28.96758  ? 102 7AZ B C13 1 
HETATM 1641 C C14 . 7AZ H 2 .  ? 16.79951  39.98569 21.80315  1.000 30.24062  ? 102 7AZ B C14 1 
HETATM 1642 C C15 . 7AZ H 2 .  ? 18.14230  40.06481 22.50287  1.000 33.60758  ? 102 7AZ B C15 1 
HETATM 1643 C C16 . 7AZ H 2 .  ? 20.59679  40.24411 23.81140  1.000 28.71685  ? 102 7AZ B C16 1 
HETATM 1644 C C17 . 7AZ H 2 .  ? 18.28810  40.87104 23.62131  1.000 36.50737  ? 102 7AZ B C17 1 
HETATM 1645 C C18 . 7AZ H 2 .  ? 19.25068  39.34617 22.04323  1.000 27.98614  ? 102 7AZ B C18 1 
HETATM 1646 C C19 . 7AZ H 2 .  ? 20.48505  39.42863 22.69542  1.000 26.90145  ? 102 7AZ B C19 1 
HETATM 1647 C C20 . 7AZ H 2 .  ? 19.50772  40.96893 24.28026  1.000 38.88972  ? 102 7AZ B C20 1 
HETATM 1648 C C21 . 7AZ H 2 .  ? 21.68826  38.64819 22.20488  1.000 26.88888  ? 102 7AZ B C21 1 
HETATM 1649 C C22 . 7AZ H 2 .  ? 22.54049  39.48646 21.27405  1.000 22.79959  ? 102 7AZ B C22 1 
HETATM 1650 C C23 . 7AZ H 2 .  ? 24.11173  41.03820 19.57433  1.000 33.27167  ? 102 7AZ B C23 1 
HETATM 1651 C C24 . 7AZ H 2 .  ? 22.30048  39.50475 19.89783  1.000 26.16693  ? 102 7AZ B C24 1 
HETATM 1652 C C25 . 7AZ H 2 .  ? 23.57000  40.26354 21.78104  1.000 27.55530  ? 102 7AZ B C25 1 
HETATM 1653 O O72 . 7AZ H 2 .  ? 20.74103  29.89717 15.54069  1.000 59.20095  ? 102 7AZ B O72 1 
HETATM 1654 P P51 . 7AZ H 2 .  ? 22.00857  30.69061 15.73943  1.000 30.44672  ? 102 7AZ B P51 1 
HETATM 1655 O O52 . 7AZ H 2 .  ? 22.70160  30.93444 14.42546  1.000 46.17108  ? 102 7AZ B O52 1 
HETATM 1656 O O63 . 7AZ H 2 .  ? 22.91731  29.98712 16.71309  1.000 47.80166  ? 102 7AZ B O63 1 
HETATM 1657 C C44 . 7AZ H 2 .  ? 21.55265  32.28326 16.44943  1.000 24.80028  ? 102 7AZ B C44 1 
HETATM 1658 C C43 . 7AZ H 2 .  ? 21.07960  32.36493 17.75561  1.000 21.89676  ? 102 7AZ B C43 1 
HETATM 1659 P P49 . 7AZ H 2 .  ? 16.12798  30.35533 20.40908  1.000 29.40105  ? 102 7AZ B P49 1 
HETATM 1660 O O62 . 7AZ H 2 .  ? 14.93716  30.45548 21.32106  1.000 28.51349  ? 102 7AZ B O62 1 
HETATM 1661 O O61 . 7AZ H 2 .  ? 15.75333  29.81921 19.05010  1.000 35.79843  ? 102 7AZ B O61 1 
HETATM 1662 O O50 . 7AZ H 2 .  ? 17.19463  29.49910 21.04453  1.000 58.11466  ? 102 7AZ B O50 1 
HETATM 1663 C C41 . 7AZ H 2 .  ? 21.65510  33.44252 15.68914  1.000 20.71508  ? 102 7AZ B C41 1 
HETATM 1664 C C45 . 7AZ H 2 .  ? 21.31532  34.67784 16.21841  1.000 19.87454  ? 102 7AZ B C45 1 
HETATM 1665 C C42 . 7AZ H 2 .  ? 20.82991  34.73692 17.52660  1.000 23.78228  ? 102 7AZ B C42 1 
HETATM 1666 O O48 . 7AZ H 2 .  ? 20.47671  35.94024 18.06081  1.000 21.53594  ? 102 7AZ B O48 1 
HETATM 1667 O O47 . 7AZ H 2 .  ? 20.90135  38.29066 16.89392  1.000 27.76477  ? 102 7AZ B O47 1 
HETATM 1668 P P53 . 7AZ H 2 .  ? 26.44794  37.44430 14.96109  1.000 31.14314  ? 102 7AZ B P53 1 
HETATM 1669 O O65 . 7AZ H 2 .  ? 26.38511  36.64246 13.68780  1.000 39.45444  ? 102 7AZ B O65 1 
HETATM 1670 O O64 . 7AZ H 2 .  ? 27.19517  36.68021 16.02529  1.000 38.18097  ? 102 7AZ B O64 1 
HETATM 1671 O O54 . 7AZ H 2 .  ? 27.06697  38.79814 14.72379  1.000 45.86491  ? 102 7AZ B O54 1 
HETATM 1672 O O46 . 7AZ H 2 .  ? 21.28667  38.74613 19.39166  1.000 26.58166  ? 102 7AZ B O46 1 
HETATM 1673 P P55 . 7AZ H 2 .  ? 25.69929  42.04128 21.63085  1.000 29.44302  ? 102 7AZ B P55 1 
HETATM 1674 O O69 . 7AZ H 2 .  ? 26.70828  41.12650 22.27408  1.000 100.64221 ? 102 7AZ B O69 1 
HETATM 1675 O O68 . 7AZ H 2 .  ? 25.10460  42.97848 22.65019  1.000 82.41769  ? 102 7AZ B O68 1 
HETATM 1676 O O56 . 7AZ H 2 .  ? 26.33499  42.79898 20.49374  1.000 45.14580  ? 102 7AZ B O56 1 
HETATM 1677 P P57 . 7AZ H 2 .  ? 19.67658  42.02345 25.72568  1.000 42.62662  ? 102 7AZ B P57 1 
HETATM 1678 O O67 . 7AZ H 2 .  ? 20.29156  41.21143 26.83455  1.000 57.45154  ? 102 7AZ B O67 1 
HETATM 1679 O O66 . 7AZ H 2 .  ? 20.57656  43.16541 25.33918  1.000 36.11539  ? 102 7AZ B O66 1 
HETATM 1680 O O58 . 7AZ H 2 .  ? 18.30582  42.52740 26.10018  1.000 62.03407  ? 102 7AZ B O58 1 
HETATM 1681 P P59 . 7AZ H 2 .  ? 13.72596  36.76022 24.66191  1.000 34.78259  ? 102 7AZ B P59 1 
HETATM 1682 O O71 . 7AZ H 2 .  ? 13.75801  35.26958 24.86406  1.000 53.77542  ? 102 7AZ B O71 1 
HETATM 1683 O O70 . 7AZ H 2 .  ? 14.36622  37.48010 25.81927  1.000 49.71870  ? 102 7AZ B O70 1 
HETATM 1684 O O60 . 7AZ H 2 .  ? 12.30746  37.22960 24.46026  1.000 52.29339  ? 102 7AZ B O60 1 
HETATM 1685 O O37 . 7AZ H 2 .  ? 16.80511  38.03417 19.73925  1.000 25.96333  ? 102 7AZ B O37 1 
HETATM 1686 O O36 . 7AZ H 2 .  ? 18.32148  35.80645 19.57114  1.000 20.50041  ? 102 7AZ B O36 1 
HETATM 1687 C C1  . BDF I 3 .  ? 7.29412   30.55776 11.90240  1.000 18.28705  ? 103 BDF B C1  1 
HETATM 1688 C C2  . BDF I 3 .  ? 5.78931   30.61142 11.68686  1.000 14.49710  ? 103 BDF B C2  1 
HETATM 1689 C C3  . BDF I 3 .  ? 5.43924   30.70405 10.19658  1.000 14.81368  ? 103 BDF B C3  1 
HETATM 1690 C C4  . BDF I 3 .  ? 3.94263   30.92780 10.02889  1.000 15.36150  ? 103 BDF B C4  1 
HETATM 1691 C C5  . BDF I 3 .  ? 3.51397   32.16708 10.80146  1.000 13.56924  ? 103 BDF B C5  1 
HETATM 1692 C C6  . BDF I 3 .  ? 3.91999   32.01156 12.25324  1.000 13.99255  ? 103 BDF B C6  1 
HETATM 1693 O O1  . BDF I 3 .  ? 7.61419   30.29737 13.26290  1.000 25.29071  ? 103 BDF B O1  1 
HETATM 1694 O O2  . BDF I 3 .  ? 5.15709   29.46914 12.19156  1.000 17.29145  ? 103 BDF B O2  1 
HETATM 1695 O O3  . BDF I 3 .  ? 5.82074   29.50519 9.52259   1.000 17.36397  ? 103 BDF B O3  1 
HETATM 1696 O O4  . BDF I 3 .  ? 3.61617   31.02036 8.64757   1.000 14.84210  ? 103 BDF B O4  1 
HETATM 1697 O O5  . BDF I 3 .  ? 4.14763   33.34139 10.28904  1.000 13.84709  ? 103 BDF B O5  1 
HETATM 1698 O O6  . BDF I 3 .  ? 5.33143   31.77854 12.36568  1.000 14.74306  ? 103 BDF B O6  1 
HETATM 1699 C C1  . BDF J 3 .  ? -10.96543 32.86106 12.14160  1.000 19.31788  ? 104 BDF B C1  1 
HETATM 1700 C C2  . BDF J 3 .  ? -11.83311 34.10376 12.00986  1.000 15.69814  ? 104 BDF B C2  1 
HETATM 1701 C C3  . BDF J 3 .  ? -12.06717 34.47938 10.54018  1.000 16.04808  ? 104 BDF B C3  1 
HETATM 1702 C C4  . BDF J 3 .  ? -12.75647 35.83648 10.45788  1.000 14.40465  ? 104 BDF B C4  1 
HETATM 1703 C C5  . BDF J 3 .  ? -11.92677 36.87931 11.18981  1.000 12.54134  ? 104 BDF B C5  1 
HETATM 1704 C C6  . BDF J 3 .  ? -11.73537 36.42916 12.62377  1.000 15.51540  ? 104 BDF B C6  1 
HETATM 1705 O O1  . BDF J 3 .  ? -11.47030 31.77803 11.37315  1.000 31.91761  ? 104 BDF B O1  1 
HETATM 1706 O O2  . BDF J 3 .  ? -13.09224 33.92201 12.60100  1.000 20.73144  ? 104 BDF B O2  1 
HETATM 1707 O O3  . BDF J 3 .  ? -12.86680 33.48322 9.90194   1.000 16.92892  ? 104 BDF B O3  1 
HETATM 1708 O O4  . BDF J 3 .  ? -12.96585 36.20108 9.10201   1.000 13.63610  ? 104 BDF B O4  1 
HETATM 1709 O O5  . BDF J 3 .  ? -10.62701 36.99680 10.60604  1.000 13.84080  ? 104 BDF B O5  1 
HETATM 1710 O O6  . BDF J 3 .  ? -11.10805 35.14021 12.66785  1.000 15.49748  ? 104 BDF B O6  1 
HETATM 1711 O O   . HOH K 4 .  ? 2.45052   27.77396 25.02401  1.000 41.05636  ? 201 HOH A O   1 
HETATM 1712 O O   . HOH K 4 .  ? 17.05565  10.43609 -1.01055  1.000 37.14060  ? 202 HOH A O   1 
HETATM 1713 O O   . HOH K 4 .  ? 14.73519  5.28606  1.88865   1.000 31.39014  ? 203 HOH A O   1 
HETATM 1714 O O   . HOH K 4 .  ? 23.48404  4.44111  -2.60519  1.000 40.31532  ? 204 HOH A O   1 
HETATM 1715 O O   . HOH K 4 .  ? 1.05323   7.17876  1.48472   1.000 34.39154  ? 205 HOH A O   1 
HETATM 1716 O O   . HOH K 4 .  ? -11.84157 16.51933 11.37330  1.000 38.70575  ? 206 HOH A O   1 
HETATM 1717 O O   . HOH K 4 .  ? -4.21740  21.06724 10.36907  1.000 41.57015  ? 207 HOH A O   1 
HETATM 1718 O O   . HOH K 4 .  ? -4.48061  6.59682  27.50201  1.000 14.36188  ? 208 HOH A O   1 
HETATM 1719 O O   . HOH K 4 .  ? 21.05772  6.97502  11.20426  1.000 19.35490  ? 209 HOH A O   1 
HETATM 1720 O O   . HOH K 4 .  ? 12.93216  10.48824 4.18317   1.000 29.13273  ? 210 HOH A O   1 
HETATM 1721 O O   . HOH K 4 .  ? -1.64058  19.67232 13.36755  1.000 17.49894  ? 211 HOH A O   1 
HETATM 1722 O O   . HOH K 4 .  ? 19.63731  13.14981 17.08771  1.000 34.03248  ? 212 HOH A O   1 
HETATM 1723 O O   . HOH K 4 .  ? 9.31664   14.96197 11.04162  1.000 27.25374  ? 213 HOH A O   1 
HETATM 1724 O O   . HOH K 4 .  ? 5.70853   11.05723 4.11237   1.000 44.70144  ? 214 HOH A O   1 
HETATM 1725 O O   . HOH K 4 .  ? 11.15052  6.39424  27.12522  1.000 21.60403  ? 215 HOH A O   1 
HETATM 1726 O O   . HOH K 4 .  ? -19.48162 11.01499 25.20545  1.000 42.44109  ? 216 HOH A O   1 
HETATM 1727 O O   . HOH K 4 .  ? 4.22074   22.28693 11.67787  1.000 40.02144  ? 217 HOH A O   1 
HETATM 1728 O O   . HOH K 4 .  ? -8.03922  19.16710 16.03342  1.000 39.92655  ? 218 HOH A O   1 
HETATM 1729 O O   . HOH K 4 .  ? 0.75949   2.73874  15.47822  1.000 21.57091  ? 219 HOH A O   1 
HETATM 1730 O O   . HOH K 4 .  ? 20.69877  14.01906 13.29935  1.000 24.97147  ? 220 HOH A O   1 
HETATM 1731 O O   . HOH K 4 .  ? 8.46468   15.89090 23.93554  1.000 13.84609  ? 221 HOH A O   1 
HETATM 1732 O O   . HOH K 4 .  ? 10.35680  11.06343 26.03640  1.000 19.67334  ? 222 HOH A O   1 
HETATM 1733 O O   . HOH K 4 .  ? 9.49009   17.95669 33.81142  1.000 38.36268  ? 223 HOH A O   1 
HETATM 1734 O O   . HOH K 4 .  ? 6.14080   7.58827  36.17740  1.000 29.79952  ? 224 HOH A O   1 
HETATM 1735 O O   . HOH K 4 .  ? -3.360    3.545    10.412    1.000 10.62402  ? 225 HOH A O   1 
HETATM 1736 O O   . HOH K 4 .  ? 9.66155   17.35908 25.95985  1.000 17.68651  ? 226 HOH A O   1 
HETATM 1737 O O   . HOH K 4 .  ? -5.93945  22.93447 23.08788  1.000 40.88654  ? 227 HOH A O   1 
HETATM 1738 O O   . HOH K 4 .  ? 14.76119  14.26411 8.91664   1.000 21.29380  ? 228 HOH A O   1 
HETATM 1739 O O   . HOH K 4 .  ? 15.96968  11.27983 12.75090  1.000 13.17105  ? 229 HOH A O   1 
HETATM 1740 O O   . HOH K 4 .  ? -12.28523 18.04418 22.88856  1.000 46.37416  ? 230 HOH A O   1 
HETATM 1741 O O   . HOH K 4 .  ? 1.45088   4.78428  10.61473  1.000 10.82721  ? 231 HOH A O   1 
HETATM 1742 O O   . HOH K 4 .  ? -1.711    2.448    27.305    0.730 24.92552  ? 232 HOH A O   1 
HETATM 1743 O O   . HOH K 4 .  ? 10.37207  9.14318  7.28245   1.000 19.73165  ? 233 HOH A O   1 
HETATM 1744 O O   . HOH K 4 .  ? 9.596     8.835    24.563    1.000 12.82317  ? 234 HOH A O   1 
HETATM 1745 O O   . HOH K 4 .  ? -4.38072  19.27529 14.07513  1.000 23.85202  ? 235 HOH A O   1 
HETATM 1746 O O   . HOH K 4 .  ? -16.87874 12.94059 20.85342  1.000 24.04423  ? 236 HOH A O   1 
HETATM 1747 O O   . HOH K 4 .  ? 7.86825   11.99436 29.94367  1.000 18.44439  ? 237 HOH A O   1 
HETATM 1748 O O   . HOH K 4 .  ? 12.76608  10.39157 6.96511   1.000 18.90567  ? 238 HOH A O   1 
HETATM 1749 O O   . HOH K 4 .  ? -1.82542  1.86937  15.13213  0.526 15.21853  ? 239 HOH A O   1 
HETATM 1750 O O   . HOH K 4 .  ? -0.47933  14.65398 35.28305  1.000 22.59613  ? 240 HOH A O   1 
HETATM 1751 O O   . HOH K 4 .  ? -6.98990  13.35153 30.14084  1.000 18.40464  ? 241 HOH A O   1 
HETATM 1752 O O   . HOH K 4 .  ? 1.39117   15.99706 8.44775   1.000 22.15797  ? 242 HOH A O   1 
HETATM 1753 O O   . HOH K 4 .  ? 17.83270  18.30002 3.88572   1.000 36.85197  ? 243 HOH A O   1 
HETATM 1754 O O   . HOH K 4 .  ? 14.474    7.682    -1.570    1.000 34.77256  ? 244 HOH A O   1 
HETATM 1755 O O   . HOH K 4 .  ? -10.15190 16.23755 28.10601  1.000 30.71065  ? 245 HOH A O   1 
HETATM 1756 O O   . HOH K 4 .  ? -2.75917  5.67844  3.29059   1.000 26.27702  ? 246 HOH A O   1 
HETATM 1757 O O   . HOH K 4 .  ? 15.93687  4.06638  10.03650  1.000 13.91402  ? 247 HOH A O   1 
HETATM 1758 O O   . HOH K 4 .  ? 9.31737   19.62595 23.31596  1.000 22.69865  ? 248 HOH A O   1 
HETATM 1759 O O   . HOH K 4 .  ? 8.29420   13.71709 34.02640  1.000 26.02255  ? 249 HOH A O   1 
HETATM 1760 O O   . HOH K 4 .  ? -12.27797 13.52453 26.29821  1.000 27.97099  ? 250 HOH A O   1 
HETATM 1761 O O   . HOH K 4 .  ? 7.15902   18.48265 11.41719  1.000 29.90095  ? 251 HOH A O   1 
HETATM 1762 O O   . HOH K 4 .  ? 16.55365  3.61307  6.34451   1.000 16.37297  ? 252 HOH A O   1 
HETATM 1763 O O   . HOH K 4 .  ? -0.92527  23.56629 19.33096  1.000 30.09537  ? 253 HOH A O   1 
HETATM 1764 O O   . HOH K 4 .  ? -11.55436 7.50471  29.44383  1.000 24.28862  ? 254 HOH A O   1 
HETATM 1765 O O   . HOH K 4 .  ? 4.30854   13.65170 6.75795   1.000 20.89529  ? 255 HOH A O   1 
HETATM 1766 O O   . HOH K 4 .  ? 9.86008   6.46184  4.98630   1.000 24.30345  ? 256 HOH A O   1 
HETATM 1767 O O   . HOH K 4 .  ? 3.58834   15.83655 35.79812  1.000 33.86949  ? 257 HOH A O   1 
HETATM 1768 O O   . HOH K 4 .  ? -14.04892 11.78079 27.73957  1.000 30.63181  ? 258 HOH A O   1 
HETATM 1769 O O   . HOH K 4 .  ? -4.37754  13.02586 30.66189  1.000 22.82952  ? 259 HOH A O   1 
HETATM 1770 O O   . HOH K 4 .  ? 10.36577  10.93441 37.04540  1.000 23.09151  ? 260 HOH A O   1 
HETATM 1771 O O   . HOH K 4 .  ? -8.11113  15.38743 10.34736  1.000 35.26667  ? 261 HOH A O   1 
HETATM 1772 O O   . HOH K 4 .  ? -3.42784  15.01770 4.66790   1.000 20.36415  ? 262 HOH A O   1 
HETATM 1773 O O   . HOH K 4 .  ? 0.08831   1.79221  18.06920  1.000 27.05653  ? 263 HOH A O   1 
HETATM 1774 O O   . HOH K 4 .  ? 1.671     0.830    24.396    1.000 22.71118  ? 264 HOH A O   1 
HETATM 1775 O O   . HOH K 4 .  ? 14.95813  13.57975 11.61869  1.000 16.98837  ? 265 HOH A O   1 
HETATM 1776 O O   . HOH K 4 .  ? -2.42925  14.64341 2.17688   1.000 22.86579  ? 266 HOH A O   1 
HETATM 1777 O O   . HOH K 4 .  ? 13.99329  1.51237  3.73988   1.000 18.62063  ? 267 HOH A O   1 
HETATM 1778 O O   . HOH K 4 .  ? -10.29552 14.69526 23.45300  1.000 15.93130  ? 268 HOH A O   1 
HETATM 1779 O O   . HOH K 4 .  ? -16.02291 16.49718 21.73368  1.000 30.00643  ? 269 HOH A O   1 
HETATM 1780 O O   . HOH K 4 .  ? -1.18080  21.33200 22.70167  1.000 20.56758  ? 270 HOH A O   1 
HETATM 1781 O O   . HOH K 4 .  ? 2.72462   8.83953  35.46929  1.000 24.18583  ? 271 HOH A O   1 
HETATM 1782 O O   . HOH K 4 .  ? 2.10060   1.53922  20.70613  1.000 16.37505  ? 272 HOH A O   1 
HETATM 1783 O O   . HOH K 4 .  ? -2.89828  7.71740  1.02977   1.000 26.95903  ? 273 HOH A O   1 
HETATM 1784 O O   . HOH K 4 .  ? -3.57000  15.38448 28.11391  1.000 15.65354  ? 274 HOH A O   1 
HETATM 1785 O O   . HOH K 4 .  ? 24.675    18.929   8.877     1.000 29.80052  ? 275 HOH A O   1 
HETATM 1786 O O   . HOH K 4 .  ? 16.39727  16.69834 20.95261  1.000 23.36199  ? 276 HOH A O   1 
HETATM 1787 O O   . HOH K 4 .  ? -12.57065 10.15718 29.15402  1.000 29.93821  ? 277 HOH A O   1 
HETATM 1788 O O   . HOH K 4 .  ? -6.46386  22.57497 20.67087  1.000 28.22420  ? 278 HOH A O   1 
HETATM 1789 O O   . HOH K 4 .  ? 6.63352   12.38442 7.94885   1.000 26.49000  ? 279 HOH A O   1 
HETATM 1790 O O   . HOH K 4 .  ? 1.82295   18.87368 23.00457  1.000 17.91727  ? 280 HOH A O   1 
HETATM 1791 O O   . HOH K 4 .  ? 18.88752  14.81982 20.01917  1.000 44.69502  ? 281 HOH A O   1 
HETATM 1792 O O   . HOH K 4 .  ? 3.40118   3.50481  6.69357   1.000 11.76838  ? 282 HOH A O   1 
HETATM 1793 O O   . HOH K 4 .  ? 17.23844  17.95951 11.40514  1.000 42.22347  ? 283 HOH A O   1 
HETATM 1794 O O   . HOH K 4 .  ? 2.25769   21.65244 25.45909  1.000 32.32865  ? 284 HOH A O   1 
HETATM 1795 O O   . HOH K 4 .  ? 7.31539   20.25708 15.64495  1.000 22.05567  ? 285 HOH A O   1 
HETATM 1796 O O   . HOH K 4 .  ? 3.27608   6.89845  33.86133  1.000 31.03759  ? 286 HOH A O   1 
HETATM 1797 O O   . HOH K 4 .  ? 8.45710   20.65630 28.35862  1.000 28.91206  ? 287 HOH A O   1 
HETATM 1798 O O   . HOH K 4 .  ? -0.31402  3.79626  32.39176  1.000 23.86621  ? 288 HOH A O   1 
HETATM 1799 O O   . HOH K 4 .  ? -3.73307  18.09080 7.57195   1.000 32.41194  ? 289 HOH A O   1 
HETATM 1800 O O   . HOH K 4 .  ? 17.98451  5.07171  8.39589   1.000 21.62170  ? 290 HOH A O   1 
HETATM 1801 O O   . HOH K 4 .  ? -1.32515  4.70985  6.75139   1.000 12.33904  ? 291 HOH A O   1 
HETATM 1802 O O   . HOH K 4 .  ? 4.40353   16.40072 9.97857   1.000 26.27726  ? 292 HOH A O   1 
HETATM 1803 O O   . HOH K 4 .  ? -5.92174  16.93041 29.12928  1.000 22.40799  ? 293 HOH A O   1 
HETATM 1804 O O   . HOH K 4 .  ? 8.02112   5.28553  2.42978   1.000 27.49438  ? 294 HOH A O   1 
HETATM 1805 O O   . HOH K 4 .  ? -9.24518  21.84953 19.35320  1.000 35.67376  ? 295 HOH A O   1 
HETATM 1806 O O   . HOH K 4 .  ? -7.40344  11.93106 7.70484   1.000 15.54681  ? 296 HOH A O   1 
HETATM 1807 O O   . HOH K 4 .  ? 13.09623  10.69416 34.44895  1.000 34.50709  ? 297 HOH A O   1 
HETATM 1808 O O   . HOH K 4 .  ? 2.45148   21.73478 19.01342  1.000 23.74849  ? 298 HOH A O   1 
HETATM 1809 O O   . HOH K 4 .  ? 2.721     2.088    13.744    0.421 13.05988  ? 299 HOH A O   1 
HETATM 1810 O O   . HOH K 4 .  ? -13.87132 16.33300 14.95215  1.000 21.68346  ? 300 HOH A O   1 
HETATM 1811 O O   . HOH K 4 .  ? -0.63186  3.30621  13.90357  0.718 27.56922  ? 301 HOH A O   1 
HETATM 1812 O O   . HOH K 4 .  ? -8.91029  17.19951 31.59546  1.000 42.39614  ? 302 HOH A O   1 
HETATM 1813 O O   . HOH K 4 .  ? 5.07465   1.52605  7.66992   1.000 12.61383  ? 303 HOH A O   1 
HETATM 1814 O O   . HOH K 4 .  ? -15.029   5.305    27.279    1.000 43.07804  ? 304 HOH A O   1 
HETATM 1815 O O   . HOH K 4 .  ? 8.51628   7.35758  36.84338  1.000 37.74515  ? 305 HOH A O   1 
HETATM 1816 O O   . HOH K 4 .  ? 1.92114   24.61936 10.75945  1.000 41.38219  ? 306 HOH A O   1 
HETATM 1817 O O   . HOH K 4 .  ? 12.83288  11.28341 0.40373   1.000 32.05165  ? 307 HOH A O   1 
HETATM 1818 O O   . HOH K 4 .  ? 20.31587  8.60827  17.95768  1.000 19.40853  ? 308 HOH A O   1 
HETATM 1819 O O   . HOH K 4 .  ? 18.61086  14.35429 22.31872  1.000 30.87544  ? 309 HOH A O   1 
HETATM 1820 O O   . HOH K 4 .  ? 10.89684  18.42289 17.31501  1.000 30.97586  ? 310 HOH A O   1 
HETATM 1821 O O   . HOH K 4 .  ? -7.91666  18.58372 29.00090  1.000 40.24857  ? 311 HOH A O   1 
HETATM 1822 O O   . HOH K 4 .  ? 4.89521   21.51837 24.15774  1.000 42.83294  ? 312 HOH A O   1 
HETATM 1823 O O   . HOH K 4 .  ? 14.62965  18.70096 19.28764  1.000 36.06499  ? 313 HOH A O   1 
HETATM 1824 O O   . HOH K 4 .  ? -1.42325  24.12849 6.77316   1.000 37.76347  ? 314 HOH A O   1 
HETATM 1825 O O   . HOH K 4 .  ? -0.26517  2.47815  21.69427  1.000 15.10898  ? 315 HOH A O   1 
HETATM 1826 O O   . HOH K 4 .  ? 10.36060  10.59564 30.31079  1.000 32.89502  ? 316 HOH A O   1 
HETATM 1827 O O   . HOH K 4 .  ? -10.49358 9.04474  38.20975  1.000 36.77937  ? 317 HOH A O   1 
HETATM 1828 O O   . HOH K 4 .  ? 11.467    8.356    31.001    1.000 30.99580  ? 318 HOH A O   1 
HETATM 1829 O O   . HOH K 4 .  ? -0.19194  17.66908 6.68212   1.000 31.52783  ? 319 HOH A O   1 
HETATM 1830 O O   . HOH K 4 .  ? 10.20909  16.43736 30.55990  1.000 26.32460  ? 320 HOH A O   1 
HETATM 1831 O O   . HOH K 4 .  ? 2.75662   21.13687 21.60214  1.000 26.48688  ? 321 HOH A O   1 
HETATM 1832 O O   . HOH K 4 .  ? 11.916    7.219    1.111     1.000 40.78072  ? 322 HOH A O   1 
HETATM 1833 O O   . HOH K 4 .  ? 2.44732   1.15664  11.55970  0.693 17.75215  ? 323 HOH A O   1 
HETATM 1834 O O   . HOH K 4 .  ? 7.51463   22.21662 26.30528  1.000 39.91796  ? 324 HOH A O   1 
HETATM 1835 O O   . HOH K 4 .  ? 0.001     0.003    27.818    0.374 20.43519  ? 325 HOH A O   1 
HETATM 1836 O O   . HOH K 4 .  ? 23.04867  10.19155 14.61661  1.000 32.66539  ? 326 HOH A O   1 
HETATM 1837 O O   . HOH K 4 .  ? -23.117   6.904    33.557    1.000 40.88347  ? 327 HOH A O   1 
HETATM 1838 O O   . HOH K 4 .  ? 15.63326  1.19039  9.97729   1.000 29.36877  ? 328 HOH A O   1 
HETATM 1839 O O   . HOH K 4 .  ? 17.83943  2.02051  2.30751   1.000 32.86764  ? 329 HOH A O   1 
HETATM 1840 O O   . HOH K 4 .  ? -2.96315  20.80168 6.59684   1.000 42.94996  ? 330 HOH A O   1 
HETATM 1841 O O   . HOH K 4 .  ? 8.17140   20.88933 13.18864  1.000 39.72680  ? 331 HOH A O   1 
HETATM 1842 O O   . HOH K 4 .  ? 0.33930   2.50793  11.66253  1.000 17.36510  ? 332 HOH A O   1 
HETATM 1843 O O   . HOH K 4 .  ? -3.39584  23.18535 22.19441  1.000 32.00568  ? 333 HOH A O   1 
HETATM 1844 O O   . HOH K 4 .  ? -6.32207  16.66672 8.88794   1.000 33.68204  ? 334 HOH A O   1 
HETATM 1845 O O   . HOH K 4 .  ? -20.031   1.540    27.666    1.000 29.84599  ? 335 HOH A O   1 
HETATM 1846 O O   . HOH K 4 .  ? 6.59242   14.46727 10.46885  1.000 27.17812  ? 336 HOH A O   1 
HETATM 1847 O O   . HOH K 4 .  ? -15.389   7.574    31.703    1.000 36.38923  ? 337 HOH A O   1 
HETATM 1848 O O   . HOH K 4 .  ? 8.47551   21.89072 22.81833  1.000 39.64243  ? 338 HOH A O   1 
HETATM 1849 O O   . HOH K 4 .  ? -21.30134 9.67392  24.83249  1.000 36.25381  ? 339 HOH A O   1 
HETATM 1850 O O   . HOH K 4 .  ? 18.58623  14.37464 14.79937  1.000 34.66535  ? 340 HOH A O   1 
HETATM 1851 O O   . HOH K 4 .  ? 1.75882   12.17393 -2.34290  1.000 36.58793  ? 341 HOH A O   1 
HETATM 1852 O O   . HOH K 4 .  ? 13.06005  1.39678  1.20143   1.000 31.34002  ? 342 HOH A O   1 
HETATM 1853 O O   . HOH K 4 .  ? -7.52553  15.15837 32.22171  1.000 34.12100  ? 343 HOH A O   1 
HETATM 1854 O O   . HOH K 4 .  ? 22.16356  7.85181  13.68351  1.000 27.65712  ? 344 HOH A O   1 
HETATM 1855 O O   . HOH K 4 .  ? -0.00612  0.00008  30.48592  0.349 22.75647  ? 345 HOH A O   1 
HETATM 1856 O O   . HOH K 4 .  ? 7.67013   15.94339 34.99979  1.000 40.82403  ? 346 HOH A O   1 
HETATM 1857 O O   . HOH K 4 .  ? -2.40001  17.28440 5.44229   1.000 38.37505  ? 347 HOH A O   1 
HETATM 1858 O O   . HOH K 4 .  ? 8.98221   13.68217 31.72820  1.000 30.54040  ? 348 HOH A O   1 
HETATM 1859 O O   . HOH K 4 .  ? 6.12826   8.32829  4.86802   1.000 24.16148  ? 349 HOH A O   1 
HETATM 1860 O O   . HOH K 4 .  ? -5.21520  9.03308  0.00007   0.580 33.94178  ? 350 HOH A O   1 
HETATM 1861 O O   . HOH K 4 .  ? 1.10739   22.85539 23.25971  1.000 31.17683  ? 351 HOH A O   1 
HETATM 1862 O O   . HOH K 4 .  ? 12.85543  13.04230 7.24938   1.000 31.60219  ? 352 HOH A O   1 
HETATM 1863 O O   . HOH K 4 .  ? 25.19165  6.64878  13.38696  1.000 42.70642  ? 353 HOH A O   1 
HETATM 1864 O O   . HOH K 4 .  ? -6.00289  15.41971 4.44283   1.000 27.82267  ? 354 HOH A O   1 
HETATM 1865 O O   . HOH K 4 .  ? -10.20798 16.31567 8.62273   1.000 39.56080  ? 355 HOH A O   1 
HETATM 1866 O O   . HOH K 4 .  ? 15.95829  15.82233 12.96005  1.000 32.95654  ? 356 HOH A O   1 
HETATM 1867 O O   . HOH K 4 .  ? 5.55248   2.07862  2.92230   1.000 41.99520  ? 357 HOH A O   1 
HETATM 1868 O O   . HOH K 4 .  ? 0.99883   3.99959  7.98354   1.000 14.34184  ? 358 HOH A O   1 
HETATM 1869 O O   . HOH K 4 .  ? 15.73111  3.62494  3.76373   1.000 20.82128  ? 359 HOH A O   1 
HETATM 1870 O O   . HOH K 4 .  ? 5.49601   6.35948  2.90917   1.000 34.76651  ? 360 HOH A O   1 
HETATM 1871 O O   . HOH K 4 .  ? 22.15422  10.75365 17.54792  1.000 37.50320  ? 361 HOH A O   1 
HETATM 1872 O O   . HOH K 4 .  ? 3.11915   3.17929  4.01287   1.000 25.10554  ? 362 HOH A O   1 
HETATM 1873 O O   . HOH K 4 .  ? 15.689    -0.441   5.658     1.000 28.70275  ? 363 HOH A O   1 
HETATM 1874 O O   . HOH K 4 .  ? 4.80529   21.97277 16.94410  1.000 37.49798  ? 364 HOH A O   1 
HETATM 1875 O O   . HOH K 4 .  ? 17.66675  1.14677  6.09381   1.000 28.49511  ? 365 HOH A O   1 
HETATM 1876 O O   . HOH K 4 .  ? -0.74417  3.96438  4.15744   1.000 19.50490  ? 366 HOH A O   1 
HETATM 1877 O O   . HOH K 4 .  ? 6.112     11.812   -1.656    1.000 42.04285  ? 367 HOH A O   1 
HETATM 1878 O O   . HOH K 4 .  ? 12.56837  19.16645 15.48517  1.000 36.56548  ? 368 HOH A O   1 
HETATM 1879 O O   . HOH K 4 .  ? -0.857    6.143    -0.707    1.000 40.54652  ? 369 HOH A O   1 
HETATM 1880 O O   . HOH K 4 .  ? 21.497    6.549    16.058    1.000 22.62963  ? 370 HOH A O   1 
HETATM 1881 O O   . HOH K 4 .  ? 1.38886   4.38049  2.56516   1.000 29.44183  ? 371 HOH A O   1 
HETATM 1882 O O   . HOH K 4 .  ? 0.81652   1.27066  7.81532   1.000 42.55866  ? 372 HOH A O   1 
HETATM 1883 O O   . HOH K 4 .  ? -17.38091 17.44811 17.47213  1.000 31.87373  ? 373 HOH A O   1 
HETATM 1884 O O   . HOH K 4 .  ? 16.95623  17.94298 16.42500  1.000 42.96906  ? 374 HOH A O   1 
HETATM 1885 O O   . HOH K 4 .  ? 6.38412   23.72525 18.35719  1.000 36.28240  ? 375 HOH A O   1 
HETATM 1886 O O   . HOH K 4 .  ? 15.04998  -0.00108 -0.00004  0.550 36.43602  ? 376 HOH A O   1 
HETATM 1887 O O   . HOH L 4 .  ? 6.63158   46.37783 20.66312  1.000 40.56669  ? 301 HOH B O   1 
HETATM 1888 O O   . HOH L 4 .  ? -10.10387 29.81479 9.59840   1.000 31.48417  ? 302 HOH B O   1 
HETATM 1889 O O   . HOH L 4 .  ? -12.60454 30.68846 9.38942   1.000 42.38069  ? 303 HOH B O   1 
HETATM 1890 O O   . HOH L 4 .  ? 7.94887   25.77842 -6.52462  1.000 38.64507  ? 304 HOH B O   1 
HETATM 1891 O O   . HOH L 4 .  ? 16.87620  27.74005 22.84471  1.000 32.86471  ? 305 HOH B O   1 
HETATM 1892 O O   . HOH L 4 .  ? 8.05976   42.32322 24.17490  1.000 35.17270  ? 306 HOH B O   1 
HETATM 1893 O O   . HOH L 4 .  ? 23.978    27.748   17.339    1.000 34.40098  ? 307 HOH B O   1 
HETATM 1894 O O   . HOH L 4 .  ? -5.13735  41.91564 -1.21058  1.000 14.00223  ? 308 HOH B O   1 
HETATM 1895 O O   . HOH L 4 .  ? 17.97872  39.97638 17.52389  1.000 33.57850  ? 309 HOH B O   1 
HETATM 1896 O O   . HOH L 4 .  ? -4.70766  16.61469 -1.00835  1.000 40.11126  ? 310 HOH B O   1 
HETATM 1897 O O   . HOH L 4 .  ? -13.56859 33.65632 15.14956  1.000 35.75797  ? 311 HOH B O   1 
HETATM 1898 O O   . HOH L 4 .  ? 11.99447  27.80479 6.41719   1.000 42.54519  ? 312 HOH B O   1 
HETATM 1899 O O   . HOH L 4 .  ? 6.59313   31.20296 2.34484   1.000 14.49505  ? 313 HOH B O   1 
HETATM 1900 O O   . HOH L 4 .  ? 1.92911   25.25909 15.37096  1.000 39.23518  ? 314 HOH B O   1 
HETATM 1901 O O   . HOH L 4 .  ? 7.81292   32.09958 15.18285  1.000 26.94516  ? 315 HOH B O   1 
HETATM 1902 O O   . HOH L 4 .  ? 10.390    40.363   -0.797    1.000 20.59782  ? 316 HOH B O   1 
HETATM 1903 O O   . HOH L 4 .  ? 7.53153   29.29225 -7.47183  1.000 40.35637  ? 317 HOH B O   1 
HETATM 1904 O O   . HOH L 4 .  ? 11.67958  36.13639 19.35909  1.000 20.87276  ? 318 HOH B O   1 
HETATM 1905 O O   . HOH L 4 .  ? -3.92488  28.40173 12.93383  1.000 16.68617  ? 319 HOH B O   1 
HETATM 1906 O O   . HOH L 4 .  ? 9.16038   35.85380 0.15032   1.000 19.06014  ? 320 HOH B O   1 
HETATM 1907 O O   . HOH L 4 .  ? 2.81469   25.42822 4.24881   1.000 37.43290  ? 321 HOH B O   1 
HETATM 1908 O O   . HOH L 4 .  ? -13.64186 36.02182 -0.03644  0.649 18.90553  ? 322 HOH B O   1 
HETATM 1909 O O   . HOH L 4 .  ? -3.01965  35.65482 -8.61796  1.000 38.30207  ? 323 HOH B O   1 
HETATM 1910 O O   . HOH L 4 .  ? -4.58758  32.24335 -9.07340  1.000 41.37332  ? 324 HOH B O   1 
HETATM 1911 O O   . HOH L 4 .  ? 19.76235  31.59367 12.79145  1.000 37.78844  ? 325 HOH B O   1 
HETATM 1912 O O   . HOH L 4 .  ? -6.52129  29.37657 11.93153  1.000 28.35507  ? 326 HOH B O   1 
HETATM 1913 O O   . HOH L 4 .  ? 9.24037   37.44465 18.96776  1.000 24.34108  ? 327 HOH B O   1 
HETATM 1914 O O   . HOH L 4 .  ? -3.741    44.650   15.851    1.000 11.90539  ? 328 HOH B O   1 
HETATM 1915 O O   . HOH L 4 .  ? 6.54787   35.24903 -3.61811  1.000 19.43322  ? 329 HOH B O   1 
HETATM 1916 O O   . HOH L 4 .  ? -1.86315  45.69871 -0.98653  0.621 21.22982  ? 330 HOH B O   1 
HETATM 1917 O O   . HOH L 4 .  ? 14.64031  34.73759 13.44209  1.000 15.45327  ? 331 HOH B O   1 
HETATM 1918 O O   . HOH L 4 .  ? 2.36351   40.98122 -7.49730  1.000 24.63824  ? 332 HOH B O   1 
HETATM 1919 O O   . HOH L 4 .  ? -0.55295  31.75652 17.86970  1.000 27.56876  ? 333 HOH B O   1 
HETATM 1920 O O   . HOH L 4 .  ? -1.97416  33.51252 -9.02054  1.000 23.49418  ? 334 HOH B O   1 
HETATM 1921 O O   . HOH L 4 .  ? 0.95649   42.94353 15.67466  1.000 11.84848  ? 335 HOH B O   1 
HETATM 1922 O O   . HOH L 4 .  ? 2.215     22.461   1.129     1.000 39.39289  ? 336 HOH B O   1 
HETATM 1923 O O   . HOH L 4 .  ? 7.76935   29.70285 0.30916   1.000 19.16576  ? 337 HOH B O   1 
HETATM 1924 O O   . HOH L 4 .  ? 18.06400  32.52892 9.26992   1.000 30.97313  ? 338 HOH B O   1 
HETATM 1925 O O   . HOH L 4 .  ? 0.41590   45.11688 10.87814  1.000 21.51697  ? 339 HOH B O   1 
HETATM 1926 O O   . HOH L 4 .  ? -4.89361  33.05199 21.44334  1.000 22.85427  ? 340 HOH B O   1 
HETATM 1927 O O   . HOH L 4 .  ? -8.44511  35.49347 -3.89307  1.000 17.75612  ? 341 HOH B O   1 
HETATM 1928 O O   . HOH L 4 .  ? -17.67124 33.38791 4.38128   1.000 33.38316  ? 342 HOH B O   1 
HETATM 1929 O O   . HOH L 4 .  ? -1.99868  46.18896 11.27076  0.639 19.06645  ? 343 HOH B O   1 
HETATM 1930 O O   . HOH L 4 .  ? 7.03578   27.35068 2.99573   1.000 23.20945  ? 344 HOH B O   1 
HETATM 1931 O O   . HOH L 4 .  ? 15.99974  43.05827 20.16849  1.000 25.45834  ? 345 HOH B O   1 
HETATM 1932 O O   . HOH L 4 .  ? 8.58197   38.10245 1.72886   1.000 12.92194  ? 346 HOH B O   1 
HETATM 1933 O O   . HOH L 4 .  ? -5.73974  35.58909 -4.45815  1.000 20.62216  ? 347 HOH B O   1 
HETATM 1934 O O   . HOH L 4 .  ? 1.66493   38.85581 -9.24633  1.000 24.46348  ? 348 HOH B O   1 
HETATM 1935 O O   . HOH L 4 .  ? 6.43342   26.68120 -2.23059  1.000 28.24042  ? 349 HOH B O   1 
HETATM 1936 O O   . HOH L 4 .  ? -11.12702 27.28717 6.72462   1.000 41.23844  ? 350 HOH B O   1 
HETATM 1937 O O   . HOH L 4 .  ? 9.04236   35.86901 -10.69290 1.000 26.67966  ? 351 HOH B O   1 
HETATM 1938 O O   . HOH L 4 .  ? 15.59932  41.90443 16.29571  1.000 20.39924  ? 352 HOH B O   1 
HETATM 1939 O O   . HOH L 4 .  ? -14.47300 31.68404 3.18940   0.760 36.32269  ? 353 HOH B O   1 
HETATM 1940 O O   . HOH L 4 .  ? 1.97579   31.79313 -9.66340  1.000 31.19083  ? 354 HOH B O   1 
HETATM 1941 O O   . HOH L 4 .  ? 5.13033   39.88303 -9.97544  1.000 29.15523  ? 355 HOH B O   1 
HETATM 1942 O O   . HOH L 4 .  ? -13.49220 39.30149 -2.84131  1.000 26.84578  ? 356 HOH B O   1 
HETATM 1943 O O   . HOH L 4 .  ? -18.33558 36.97886 5.30695   1.000 25.41420  ? 357 HOH B O   1 
HETATM 1944 O O   . HOH L 4 .  ? 2.34959   30.95334 16.18562  1.000 25.29131  ? 358 HOH B O   1 
HETATM 1945 O O   . HOH L 4 .  ? -11.86113 32.84425 -1.76787  1.000 28.17294  ? 359 HOH B O   1 
HETATM 1946 O O   . HOH L 4 .  ? 5.12407   26.95888 10.55765  1.000 24.95708  ? 360 HOH B O   1 
HETATM 1947 O O   . HOH L 4 .  ? -8.74625  26.24860 5.50554   1.000 31.41151  ? 361 HOH B O   1 
HETATM 1948 O O   . HOH L 4 .  ? -11.89701 34.52415 2.79070   1.000 15.64081  ? 362 HOH B O   1 
HETATM 1949 O O   . HOH L 4 .  ? 7.60422   39.54739 -10.49817 1.000 32.31024  ? 363 HOH B O   1 
HETATM 1950 O O   . HOH L 4 .  ? -3.51948  26.80843 3.46628   1.000 22.30727  ? 364 HOH B O   1 
HETATM 1951 O O   . HOH L 4 .  ? 1.90926   46.13170 5.61872   1.000 15.05423  ? 365 HOH B O   1 
HETATM 1952 O O   . HOH L 4 .  ? 5.49553   34.95702 18.44463  1.000 33.61498  ? 366 HOH B O   1 
HETATM 1953 O O   . HOH L 4 .  ? 8.43087   30.42320 -4.20454  1.000 27.08990  ? 367 HOH B O   1 
HETATM 1954 O O   . HOH L 4 .  ? -0.91802  33.37557 25.50118  1.000 40.09894  ? 368 HOH B O   1 
HETATM 1955 O O   . HOH L 4 .  ? -5.27056  33.04464 -1.89021  1.000 14.33517  ? 369 HOH B O   1 
HETATM 1956 O O   . HOH L 4 .  ? -7.71278  31.95630 -2.99823  1.000 20.12283  ? 370 HOH B O   1 
HETATM 1957 O O   . HOH L 4 .  ? -0.38373  28.99794 3.26714   1.000 17.23551  ? 371 HOH B O   1 
HETATM 1958 O O   . HOH L 4 .  ? 14.29037  29.36374 5.39069   1.000 24.60844  ? 372 HOH B O   1 
HETATM 1959 O O   . HOH L 4 .  ? 6.76382   33.32478 -7.74148  1.000 26.60341  ? 373 HOH B O   1 
HETATM 1960 O O   . HOH L 4 .  ? -7.80740  32.06498 -5.59769  1.000 33.67522  ? 374 HOH B O   1 
HETATM 1961 O O   . HOH L 4 .  ? 8.87902   28.34657 8.85168   1.000 37.48482  ? 375 HOH B O   1 
HETATM 1962 O O   . HOH L 4 .  ? 3.09730   44.01015 19.56640  1.000 14.56824  ? 376 HOH B O   1 
HETATM 1963 O O   . HOH L 4 .  ? 11.21352  35.86055 22.11920  1.000 29.40706  ? 377 HOH B O   1 
HETATM 1964 O O   . HOH L 4 .  ? 5.02955   28.84248 15.04648  1.000 29.60100  ? 378 HOH B O   1 
HETATM 1965 O O   . HOH L 4 .  ? -2.24983  35.81319 -10.86566 1.000 30.36022  ? 379 HOH B O   1 
HETATM 1966 O O   . HOH L 4 .  ? 17.16224  30.92296 6.50699   1.000 42.12230  ? 380 HOH B O   1 
HETATM 1967 O O   . HOH L 4 .  ? -8.58343  36.70976 18.57592  1.000 20.64732  ? 381 HOH B O   1 
HETATM 1968 O O   . HOH L 4 .  ? -1.78575  43.23231 19.52713  1.000 15.99165  ? 382 HOH B O   1 
HETATM 1969 O O   . HOH L 4 .  ? -0.13460  26.07453 7.11254   1.000 23.78239  ? 383 HOH B O   1 
HETATM 1970 O O   . HOH L 4 .  ? -9.75985  30.03677 -2.38729  1.000 31.46711  ? 384 HOH B O   1 
HETATM 1971 O O   . HOH L 4 .  ? -13.17185 24.93650 -1.61272  1.000 45.12321  ? 385 HOH B O   1 
HETATM 1972 O O   . HOH L 4 .  ? 6.66499   27.83191 -10.37083 1.000 41.15350  ? 386 HOH B O   1 
HETATM 1973 O O   . HOH L 4 .  ? 14.07887  45.47706 22.34286  1.000 28.21462  ? 387 HOH B O   1 
HETATM 1974 O O   . HOH L 4 .  ? -3.87654  24.43825 7.35270   1.000 40.63361  ? 388 HOH B O   1 
HETATM 1975 O O   . HOH L 4 .  ? 4.44967   38.78294 -13.13585 1.000 32.55971  ? 389 HOH B O   1 
HETATM 1976 O O   . HOH L 4 .  ? 2.52063   45.47797 12.55056  0.428 17.29142  ? 390 HOH B O   1 
HETATM 1977 O O   . HOH L 4 .  ? 2.003     47.422   1.890     0.815 27.22322  ? 391 HOH B O   1 
HETATM 1978 O O   . HOH L 4 .  ? -0.73725  44.26533 -6.07899  1.000 22.06295  ? 392 HOH B O   1 
HETATM 1979 O O   . HOH L 4 .  ? 3.11931   33.67884 19.22988  1.000 30.15364  ? 393 HOH B O   1 
HETATM 1980 O O   . HOH L 4 .  ? -15.66534 33.22854 11.22468  1.000 22.96667  ? 394 HOH B O   1 
HETATM 1981 O O   . HOH L 4 .  ? 13.45586  32.61676 14.55742  1.000 24.83439  ? 395 HOH B O   1 
HETATM 1982 O O   . HOH L 4 .  ? -11.77798 37.65842 -9.64991  1.000 32.18502  ? 396 HOH B O   1 
HETATM 1983 O O   . HOH L 4 .  ? 8.68102   39.94620 19.75594  1.000 30.56229  ? 397 HOH B O   1 
HETATM 1984 O O   . HOH L 4 .  ? 21.54001  34.86096 11.82297  1.000 36.11258  ? 398 HOH B O   1 
HETATM 1985 O O   . HOH L 4 .  ? 19.26718  37.03120 8.22191   1.000 22.39471  ? 399 HOH B O   1 
HETATM 1986 O O   . HOH L 4 .  ? 4.95922   45.95724 18.61413  1.000 16.96268  ? 400 HOH B O   1 
HETATM 1987 O O   . HOH L 4 .  ? -0.58274  26.03351 0.50098   1.000 30.33579  ? 401 HOH B O   1 
HETATM 1988 O O   . HOH L 4 .  ? 0.15571   46.18472 8.52303   1.000 34.79194  ? 402 HOH B O   1 
HETATM 1989 O O   . HOH L 4 .  ? 0.52420   45.96771 1.88299   0.981 22.91792  ? 403 HOH B O   1 
HETATM 1990 O O   . HOH L 4 .  ? -15.00163 37.68301 -1.51897  1.000 36.94357  ? 404 HOH B O   1 
HETATM 1991 O O   . HOH L 4 .  ? 10.73771  29.49979 14.10370  1.000 44.96070  ? 405 HOH B O   1 
HETATM 1992 O O   . HOH L 4 .  ? 0.34848   26.69978 4.50493   1.000 23.42603  ? 406 HOH B O   1 
HETATM 1993 O O   . HOH L 4 .  ? -0.54622  45.46561 4.65909   1.000 14.74936  ? 407 HOH B O   1 
HETATM 1994 O O   . HOH L 4 .  ? 0.00000   47.91500 -1.44539  0.351 17.98928  ? 408 HOH B O   1 
HETATM 1995 O O   . HOH L 4 .  ? -6.31391  32.90338 -7.01793  1.000 38.82140  ? 409 HOH B O   1 
HETATM 1996 O O   . HOH L 4 .  ? -13.01838 26.29725 1.50553   1.000 35.80563  ? 410 HOH B O   1 
HETATM 1997 O O   . HOH L 4 .  ? 15.70264  44.95967 16.30832  1.000 46.25741  ? 411 HOH B O   1 
HETATM 1998 O O   . HOH L 4 .  ? 5.31540   25.06099 -0.05249  1.000 38.14851  ? 412 HOH B O   1 
HETATM 1999 O O   . HOH L 4 .  ? 2.27623   46.62358 14.67035  1.000 22.84385  ? 413 HOH B O   1 
HETATM 2000 O O   . HOH L 4 .  ? -5.89872  25.42222 3.87131   1.000 34.70124  ? 414 HOH B O   1 
HETATM 2001 O O   . HOH L 4 .  ? 0.13020   45.35041 14.67120  1.000 16.59695  ? 415 HOH B O   1 
HETATM 2002 O O   . HOH L 4 .  ? 18.35797  41.64703 19.53100  1.000 37.72316  ? 416 HOH B O   1 
HETATM 2003 O O   . HOH L 4 .  ? -9.65147  34.72717 -8.77027  1.000 39.32806  ? 417 HOH B O   1 
HETATM 2004 O O   . HOH L 4 .  ? 13.56970  32.00945 17.37509  1.000 37.71754  ? 418 HOH B O   1 
HETATM 2005 O O   . HOH L 4 .  ? -8.09739  31.86223 17.42346  1.000 35.63463  ? 419 HOH B O   1 
HETATM 2006 O O   . HOH L 4 .  ? -5.95360  24.17582 19.19262  1.000 39.58582  ? 420 HOH B O   1 
HETATM 2007 O O   . HOH L 4 .  ? -1.36033  25.41406 2.58586   1.000 36.98065  ? 421 HOH B O   1 
HETATM 2008 O O   . HOH L 4 .  ? 8.86555   33.67534 -9.39397  1.000 40.47907  ? 422 HOH B O   1 
HETATM 2009 O O   . HOH L 4 .  ? -0.004    47.914   -4.258    0.335 21.71346  ? 423 HOH B O   1 
HETATM 2010 O O   . HOH L 4 .  ? -10.88551 27.13534 10.44915  1.000 41.59543  ? 424 HOH B O   1 
HETATM 2011 O O   . HOH L 4 .  ? 11.84363  33.49886 19.17309  1.000 31.04508  ? 425 HOH B O   1 
HETATM 2012 O O   . HOH L 4 .  ? 5.83664   25.23114 3.94152   1.000 43.54009  ? 426 HOH B O   1 
HETATM 2013 O O   . HOH L 4 .  ? 21.19168  40.35337 13.56519  1.000 41.57290  ? 427 HOH B O   1 
HETATM 2014 O O   . HOH L 4 .  ? -9.53165  33.82353 -6.01776  1.000 31.11334  ? 428 HOH B O   1 
HETATM 2015 O O   . HOH L 4 .  ? -19.859   48.485   -1.578    1.000 33.50812  ? 429 HOH B O   1 
HETATM 2016 O O   . HOH L 4 .  ? -7.40487  32.90675 21.62298  1.000 36.92604  ? 430 HOH B O   1 
HETATM 2017 O O   . HOH L 4 .  ? 14.80500  42.62368 22.76877  1.000 27.71277  ? 431 HOH B O   1 
HETATM 2018 O O   . HOH L 4 .  ? 2.345     31.674   -14.673   1.000 33.19741  ? 432 HOH B O   1 
HETATM 2019 O O   . HOH L 4 .  ? -12.15683 32.27577 -4.42567  1.000 41.61201  ? 433 HOH B O   1 
HETATM 2020 O O   . HOH L 4 .  ? -7.19541  24.13425 16.66169  1.000 43.75667  ? 434 HOH B O   1 
HETATM 2021 O O   . HOH L 4 .  ? 7.57792   33.30172 -5.27806  1.000 30.61647  ? 435 HOH B O   1 
HETATM 2022 O O   . HOH L 4 .  ? -8.64704  34.76249 20.58552  1.000 32.61429  ? 436 HOH B O   1 
HETATM 2023 O O   . HOH L 4 .  ? -6.62715  27.27113 13.43233  1.000 28.34731  ? 437 HOH B O   1 
HETATM 2024 O O   . HOH L 4 .  ? 2.90812   44.17261 22.33300  1.000 31.22672  ? 438 HOH B O   1 
HETATM 2025 O O   . HOH L 4 .  ? 0.65264   43.74091 18.31532  1.000 17.74742  ? 439 HOH B O   1 
HETATM 2026 O O   . HOH L 4 .  ? 21.60569  37.81846 12.33364  1.000 32.07053  ? 440 HOH B O   1 
HETATM 2027 O O   . HOH L 4 .  ? -1.10700  43.81050 22.16463  1.000 25.13184  ? 441 HOH B O   1 
HETATM 2028 O O   . HOH L 4 .  ? 14.01804  30.10769 13.53504  1.000 40.34199  ? 442 HOH B O   1 
HETATM 2029 O O   . HOH L 4 .  ? 10.24369  27.43865 10.90405  1.000 42.70063  ? 443 HOH B O   1 
HETATM 2030 O O   . HOH L 4 .  ? 9.04090   32.42853 19.09000  1.000 44.18408  ? 444 HOH B O   1 
HETATM 2031 O O   . HOH L 4 .  ? 20.709    38.963   9.989     1.000 28.35972  ? 445 HOH B O   1 
HETATM 2032 O O   . HOH L 4 .  ? -19.20616 32.58513 8.35570   1.000 32.63034  ? 446 HOH B O   1 
HETATM 2033 O O   . HOH L 4 .  ? 1.11713   43.54556 23.84496  1.000 40.00453  ? 447 HOH B O   1 
HETATM 2034 O O   . HOH L 4 .  ? -1.97904  46.22896 22.93498  1.000 32.79672  ? 448 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 
1447 C C39 . 7AZ D . ? 0.19173 0.24660 0.22056 -0.01691 0.04364  0.03342  102 7AZ A C39 
1448 C C40 . 7AZ D . ? 0.19726 0.24088 0.23642 -0.02616 0.03227  0.03008  102 7AZ A C40 
1449 C C26 . 7AZ D . ? 0.42804 0.29768 0.26946 -0.16836 0.03971  -0.03941 102 7AZ A C26 
1450 C C27 . 7AZ D . ? 0.38034 0.24744 0.25205 -0.14645 0.05468  0.00884  102 7AZ A C27 
1451 C C28 . 7AZ D . ? 0.35445 0.22141 0.26741 -0.13146 0.07256  0.02490  102 7AZ A C28 
1452 C C29 . 7AZ D . ? 0.34346 0.19636 0.27549 -0.10632 0.07570  0.00553  102 7AZ A C29 
1453 C C30 . 7AZ D . ? 0.36597 0.25110 0.32101 -0.00913 0.07487  -0.00364 102 7AZ A C30 
1454 C C31 . 7AZ D . ? 0.33031 0.19977 0.25819 -0.07676 0.06633  0.01444  102 7AZ A C31 
1455 C C32 . 7AZ D . ? 0.36496 0.25582 0.31137 -0.05292 0.07196  -0.00489 102 7AZ A C32 
1456 C C33 . 7AZ D . ? 0.38235 0.28405 0.34142 -0.00633 0.07231  -0.02451 102 7AZ A C33 
1457 C C34 . 7AZ D . ? 0.33056 0.22831 0.28960 -0.03198 0.05934  0.01702  102 7AZ A C34 
1458 C C35 . 7AZ D . ? 0.29922 0.21907 0.27389 -0.01593 0.04919  0.00850  102 7AZ A C35 
1459 O O38 . 7AZ D . ? 0.31810 0.33538 0.20841 -0.16068 0.01476  0.02825  102 7AZ A O38 
1460 C C1  . 7AZ D . ? 0.21756 0.24814 0.26007 -0.07970 0.02011  -0.00474 102 7AZ A C1  
1461 C C2  . 7AZ D . ? 0.20325 0.18500 0.20517 -0.06315 0.03557  0.01887  102 7AZ A C2  
1462 C C3  . 7AZ D . ? 0.19246 0.23424 0.23956 -0.09709 0.02999  -0.00671 102 7AZ A C3  
1463 C C4  . 7AZ D . ? 0.18737 0.23172 0.24445 -0.05422 0.03131  0.01508  102 7AZ A C4  
1464 C C5  . 7AZ D . ? 0.19343 0.22282 0.21402 -0.04295 0.03961  0.00896  102 7AZ A C5  
1465 C C6  . 7AZ D . ? 0.16210 0.23636 0.20927 -0.08470 0.05640  0.00713  102 7AZ A C6  
1466 C C7  . 7AZ D . ? 0.17639 0.25038 0.20306 -0.08337 0.03253  0.00902  102 7AZ A C7  
1467 C C8  . 7AZ D . ? 0.17388 0.28766 0.20928 -0.09191 0.05295  0.03951  102 7AZ A C8  
1468 C C9  . 7AZ D . ? 0.18132 0.36032 0.21318 -0.10781 0.03193  0.04747  102 7AZ A C9  
1469 C C10 . 7AZ D . ? 0.17212 0.33745 0.22115 -0.07580 0.03872  0.04236  102 7AZ A C10 
1470 C C11 . 7AZ D . ? 0.19746 0.27799 0.19959 -0.10354 0.02404  0.03926  102 7AZ A C11 
1471 C C12 . 7AZ D . ? 0.20506 0.33259 0.20557 -0.11354 0.01787  0.03521  102 7AZ A C12 
1472 C C13 . 7AZ D . ? 0.17081 0.39724 0.22153 -0.04595 0.03271  0.04736  102 7AZ A C13 
1473 C C14 . 7AZ D . ? 0.23122 0.33943 0.19205 -0.15256 0.02244  0.00478  102 7AZ A C14 
1474 C C15 . 7AZ D . ? 0.24611 0.36134 0.19936 -0.16565 0.02591  0.00838  102 7AZ A C15 
1475 C C16 . 7AZ D . ? 0.26102 0.37218 0.22060 -0.17564 0.02911  0.00379  102 7AZ A C16 
1476 C C17 . 7AZ D . ? 0.24297 0.40436 0.20282 -0.16725 0.02601  0.01177  102 7AZ A C17 
1477 C C18 . 7AZ D . ? 0.28444 0.35328 0.20157 -0.17186 0.02489  0.02384  102 7AZ A C18 
1478 C C19 . 7AZ D . ? 0.28878 0.34230 0.22799 -0.17804 0.03678  0.00971  102 7AZ A C19 
1479 C C20 . 7AZ D . ? 0.26684 0.43347 0.21870 -0.17627 0.01789  -0.00069 102 7AZ A C20 
1480 C C21 . 7AZ D . ? 0.32286 0.31347 0.24503 -0.18660 0.03166  0.00255  102 7AZ A C21 
1481 C C22 . 7AZ D . ? 0.35132 0.30833 0.24767 -0.19597 0.02451  -0.02140 102 7AZ A C22 
1482 C C23 . 7AZ D . ? 0.40813 0.27329 0.25316 -0.15423 0.03861  -0.02747 102 7AZ A C23 
1483 C C24 . 7AZ D . ? 0.36365 0.28543 0.23835 -0.18143 0.04733  0.00450  102 7AZ A C24 
1484 C C25 . 7AZ D . ? 0.38122 0.30772 0.25519 -0.19774 0.02779  -0.03530 102 7AZ A C25 
1485 O O72 . 7AZ D . ? 0.29144 0.44584 0.34689 -0.00892 0.00005  0.01886  102 7AZ A O72 
1486 P P51 . 7AZ D . ? 0.24532 0.39512 0.32249 -0.00205 0.00435  0.05726  102 7AZ A P51 
1487 O O52 . 7AZ D . ? 0.28155 0.42149 0.34623 -0.02549 0.00933  0.07220  102 7AZ A O52 
1488 O O63 . 7AZ D . ? 0.32556 0.42466 0.36604 0.05059  -0.02748 0.00621  102 7AZ A O63 
1489 C C44 . 7AZ D . ? 0.22297 0.29873 0.27662 -0.00466 0.02020  0.05915  102 7AZ A C44 
1490 C C43 . 7AZ D . ? 0.19628 0.27093 0.25291 -0.02494 0.02749  0.05706  102 7AZ A C43 
1491 P P49 . 7AZ D . ? 0.34251 0.21066 0.32127 -0.02824 -0.04982 -0.04848 102 7AZ A P49 
1492 O O62 . 7AZ D . ? 0.40532 0.28675 0.36478 0.00981  -0.05071 -0.06558 102 7AZ A O62 
1493 O O61 . 7AZ D . ? 0.44130 0.31959 0.35912 0.02224  -0.03075 -0.04898 102 7AZ A O61 
1494 O O50 . 7AZ D . ? 0.38408 0.25412 0.36415 -0.03203 -0.03894 -0.01998 102 7AZ A O50 
1495 C C41 . 7AZ D . ? 0.25492 0.24423 0.26765 0.02295  0.03885  0.06665  102 7AZ A C41 
1496 C C45 . 7AZ D . ? 0.24933 0.22192 0.25506 -0.01126 0.05959  0.04466  102 7AZ A C45 
1497 C C42 . 7AZ D . ? 0.21899 0.23141 0.24109 -0.04063 0.04142  0.04455  102 7AZ A C42 
1498 O O48 . 7AZ D . ? 0.20807 0.29255 0.23403 -0.05329 0.04603  0.03463  102 7AZ A O48 
1499 O O47 . 7AZ D . ? 0.29778 0.23216 0.23091 -0.07893 0.05574  -0.00236 102 7AZ A O47 
1500 P P53 . 7AZ D . ? 0.44584 0.38635 0.41090 0.08862  0.04213  -0.09940 102 7AZ A P53 
1501 O O65 . 7AZ D . ? 0.45853 0.42561 0.43954 0.06765  0.02783  -0.07140 102 7AZ A O65 
1502 O O64 . 7AZ D . ? 0.43415 0.43038 0.43025 0.09763  0.02743  -0.10905 102 7AZ A O64 
1503 O O54 . 7AZ D . ? 0.48475 0.45593 0.43019 0.09953  0.04463  -0.08319 102 7AZ A O54 
1504 O O46 . 7AZ D . ? 0.36066 0.30099 0.22283 -0.17716 0.05262  -0.01701 102 7AZ A O46 
1505 P P55 . 7AZ D . ? 0.49797 0.30190 0.31191 -0.15672 0.04178  -0.04333 102 7AZ A P55 
1506 O O69 . 7AZ D . ? 0.51061 0.42156 0.31535 -0.06192 0.03291  -0.03668 102 7AZ A O69 
1507 O O68 . 7AZ D . ? 0.55351 0.37886 0.32802 -0.10890 0.04908  -0.02921 102 7AZ A O68 
1508 O O56 . 7AZ D . ? 0.53238 0.37860 0.34372 -0.12933 0.02124  -0.05257 102 7AZ A O56 
1509 P P57 . 7AZ D . ? 0.28810 0.49999 0.23586 -0.20819 0.01465  0.00805  102 7AZ A P57 
1510 O O67 . 7AZ D . ? 0.38184 0.54777 0.25617 -0.09163 0.00266  0.03123  102 7AZ A O67 
1511 O O66 . 7AZ D . ? 0.31365 0.59801 0.25984 -0.18849 -0.00238 0.04906  102 7AZ A O66 
1512 O O58 . 7AZ D . ? 0.35992 0.54546 0.27824 -0.09187 -0.01424 -0.05963 102 7AZ A O58 
1513 P P59 . 7AZ D . ? 0.16984 0.44512 0.25528 -0.05668 0.04841  0.08275  102 7AZ A P59 
1514 O O71 . 7AZ D . ? 0.20848 0.47252 0.27668 -0.07641 0.00335  0.04799  102 7AZ A O71 
1515 O O70 . 7AZ D . ? 0.21323 0.45338 0.28231 -0.07116 0.06078  0.07577  102 7AZ A O70 
1516 O O60 . 7AZ D . ? 0.22842 0.46940 0.28121 -0.00964 0.07959  0.13754  102 7AZ A O60 
1517 O O37 . 7AZ D . ? 0.21829 0.24931 0.22291 -0.10895 0.02511  0.03463  102 7AZ A O37 
1518 O O36 . 7AZ D . ? 0.21445 0.20258 0.21642 -0.05412 0.01872  0.01545  102 7AZ A O36 
1543 C C39 . 7AZ G . ? 0.25540 0.17738 0.22425 0.00930  -0.00810 -0.05236 101 7AZ B C39 
1544 C C40 . 7AZ G . ? 0.25359 0.17200 0.22865 0.01820  -0.00576 -0.06995 101 7AZ B C40 
1545 C C26 . 7AZ G . ? 0.45236 0.19335 0.28387 -0.10123 0.03492  0.01806  101 7AZ B C26 
1546 C C27 . 7AZ G . ? 0.40845 0.14463 0.23187 -0.07173 0.01804  -0.02861 101 7AZ B C27 
1547 C C28 . 7AZ G . ? 0.38481 0.15518 0.22454 -0.05613 0.01982  -0.04714 101 7AZ B C28 
1548 C C29 . 7AZ G . ? 0.38547 0.13164 0.22057 -0.01719 -0.01237 -0.04684 101 7AZ B C29 
1549 C C30 . 7AZ G . ? 0.39336 0.14662 0.23435 0.03156  -0.01824 -0.04699 101 7AZ B C30 
1550 C C31 . 7AZ G . ? 0.37188 0.12531 0.21935 0.01571  -0.00619 -0.06282 101 7AZ B C31 
1551 C C32 . 7AZ G . ? 0.39579 0.12164 0.22996 0.00110  -0.02126 -0.04655 101 7AZ B C32 
1552 C C33 . 7AZ G . ? 0.41207 0.13137 0.23770 0.03431  -0.01117 -0.04420 101 7AZ B C33 
1553 C C34 . 7AZ G . ? 0.34818 0.14114 0.21912 0.02154  0.00094  -0.03945 101 7AZ B C34 
1554 C C35 . 7AZ G . ? 0.30227 0.14896 0.21533 0.01461  -0.00338 -0.06588 101 7AZ B C35 
1555 O O38 . 7AZ G . ? 0.29835 0.19982 0.25829 -0.08367 0.06706  -0.07258 101 7AZ B O38 
1556 C C1  . 7AZ G . ? 0.25815 0.21971 0.22289 0.02107  0.00871  -0.03883 101 7AZ B C1  
1557 C C2  . 7AZ G . ? 0.25322 0.12323 0.23433 0.00487  0.00957  -0.03734 101 7AZ B C2  
1558 C C3  . 7AZ G . ? 0.25524 0.20025 0.23385 0.00417  0.02412  -0.02770 101 7AZ B C3  
1559 C C4  . 7AZ G . ? 0.25522 0.19342 0.22285 0.01302  0.00853  -0.03503 101 7AZ B C4  
1560 C C5  . 7AZ G . ? 0.24914 0.13681 0.23084 -0.00765 -0.00247 -0.05447 101 7AZ B C5  
1561 C C6  . 7AZ G . ? 0.22878 0.17046 0.23342 -0.01552 0.02560  -0.06164 101 7AZ B C6  
1562 C C7  . 7AZ G . ? 0.21199 0.17370 0.23533 -0.04427 0.02822  -0.06250 101 7AZ B C7  
1563 C C8  . 7AZ G . ? 0.23160 0.20241 0.24099 -0.04162 0.02549  -0.06470 101 7AZ B C8  
1564 C C9  . 7AZ G . ? 0.21380 0.28056 0.25442 -0.03960 0.02269  -0.09818 101 7AZ B C9  
1565 C C10 . 7AZ G . ? 0.22845 0.28429 0.26373 0.00379  0.02152  -0.09062 101 7AZ B C10 
1566 C C11 . 7AZ G . ? 0.23568 0.19839 0.24024 -0.05167 0.02743  -0.08660 101 7AZ B C11 
1567 C C12 . 7AZ G . ? 0.24756 0.23213 0.25098 -0.05719 0.03139  -0.10135 101 7AZ B C12 
1568 C C13 . 7AZ G . ? 0.20953 0.33615 0.26480 -0.01729 0.01431  -0.08853 101 7AZ B C13 
1569 C C14 . 7AZ G . ? 0.28306 0.24579 0.26357 -0.08291 0.03241  -0.09233 101 7AZ B C14 
1570 C C15 . 7AZ G . ? 0.29943 0.22270 0.25518 -0.11130 0.05191  -0.10382 101 7AZ B C15 
1571 C C16 . 7AZ G . ? 0.34418 0.25298 0.29385 -0.10649 0.08447  -0.06924 101 7AZ B C16 
1572 C C17 . 7AZ G . ? 0.29338 0.25969 0.27796 -0.14192 0.07327  -0.10766 101 7AZ B C17 
1573 C C18 . 7AZ G . ? 0.34604 0.18565 0.26556 -0.06307 0.04709  -0.10625 101 7AZ B C18 
1574 C C19 . 7AZ G . ? 0.35781 0.20639 0.26877 -0.09069 0.06087  -0.08793 101 7AZ B C19 
1575 C C20 . 7AZ G . ? 0.31055 0.25960 0.30729 -0.15408 0.08358  -0.08634 101 7AZ B C20 
1576 C C21 . 7AZ G . ? 0.39034 0.19926 0.25534 -0.07039 0.06597  -0.04610 101 7AZ B C21 
1577 C C22 . 7AZ G . ? 0.41314 0.18953 0.25500 -0.08631 0.04390  -0.04265 101 7AZ B C22 
1578 C C23 . 7AZ G . ? 0.42171 0.17902 0.25280 -0.07674 0.02587  -0.00990 101 7AZ B C23 
1579 C C24 . 7AZ G . ? 0.41727 0.16582 0.24095 -0.07081 0.02571  -0.03369 101 7AZ B C24 
1580 C C25 . 7AZ G . ? 0.42939 0.19287 0.27016 -0.08626 0.04023  -0.01904 101 7AZ B C25 
1581 O O72 . 7AZ G . ? 0.29841 0.30578 0.28276 0.05264  0.03296  -0.01032 101 7AZ B O72 
1582 P P51 . 7AZ G . ? 0.26850 0.21993 0.25530 0.01124  0.01408  -0.08655 101 7AZ B P51 
1583 O O52 . 7AZ G . ? 0.34672 0.23327 0.26451 0.02191  0.02918  -0.12231 101 7AZ B O52 
1584 O O63 . 7AZ G . ? 0.29334 0.24365 0.26412 0.03559  0.00297  -0.08742 101 7AZ B O63 
1585 C C44 . 7AZ G . ? 0.25830 0.19355 0.24443 0.00835  0.01453  -0.07151 101 7AZ B C44 
1586 C C43 . 7AZ G . ? 0.25408 0.16546 0.23601 0.02630  0.00462  -0.08705 101 7AZ B C43 
1587 P P49 . 7AZ G . ? 0.26741 0.22904 0.22670 -0.01555 -0.00174 0.00698  101 7AZ B P49 
1588 O O62 . 7AZ G . ? 0.35191 0.37661 0.27918 0.02411  -0.00828 0.00314  101 7AZ B O62 
1589 O O61 . 7AZ G . ? 0.33753 0.35185 0.28439 0.01652  0.00325  0.01419  101 7AZ B O61 
1590 O O50 . 7AZ G . ? 0.36492 0.35365 0.26538 0.03387  0.01950  0.01518  101 7AZ B O50 
1591 C C41 . 7AZ G . ? 0.26979 0.19863 0.22318 0.01951  -0.00197 -0.08745 101 7AZ B C41 
1592 C C45 . 7AZ G . ? 0.28431 0.17454 0.22782 0.00240  -0.00569 -0.07055 101 7AZ B C45 
1593 C C42 . 7AZ G . ? 0.26000 0.14847 0.21922 0.01478  -0.00555 -0.08699 101 7AZ B C42 
1594 O O48 . 7AZ G . ? 0.28028 0.16753 0.23768 0.00834  -0.01255 -0.07021 101 7AZ B O48 
1595 O O47 . 7AZ G . ? 0.36206 0.12291 0.23801 0.00223  -0.00598 -0.05322 101 7AZ B O47 
1596 P P53 . 7AZ G . ? 0.43052 0.21976 0.26243 0.06428  -0.01442 -0.02231 101 7AZ B P53 
1597 O O65 . 7AZ G . ? 0.46910 0.31514 0.25617 0.11670  -0.02421 -0.01988 101 7AZ B O65 
1598 O O64 . 7AZ G . ? 0.46701 0.16752 0.31046 0.07111  -0.04386 -0.04684 101 7AZ B O64 
1599 O O54 . 7AZ G . ? 0.45641 0.27953 0.31310 0.08325  -0.01737 -0.01171 101 7AZ B O54 
1600 O O46 . 7AZ G . ? 0.42057 0.14781 0.24251 -0.05333 0.01244  -0.04994 101 7AZ B O46 
1601 P P55 . 7AZ G . ? 0.53067 0.32902 0.33346 -0.06969 0.05421  0.09484  101 7AZ B P55 
1602 O O69 . 7AZ G . ? 0.54025 0.34736 0.33118 -0.08593 0.03531  0.06691  101 7AZ B O69 
1603 O O68 . 7AZ G . ? 0.50712 0.33509 0.34988 -0.09593 0.07967  0.05141  101 7AZ B O68 
1604 O O56 . 7AZ G . ? 0.57482 0.40721 0.33723 -0.00995 0.03914  0.08853  101 7AZ B O56 
1605 P P57 . 7AZ G . ? 0.34897 0.36733 0.37010 -0.13840 0.08285  -0.10321 101 7AZ B P57 
1606 O O67 . 7AZ G . ? 0.38549 0.42991 0.37330 -0.12803 0.07987  -0.08667 101 7AZ B O67 
1607 O O66 . 7AZ G . ? 0.38596 0.37522 0.39561 -0.13563 0.06774  -0.11525 101 7AZ B O66 
1608 O O58 . 7AZ G . ? 0.32216 0.37207 0.39241 -0.14820 0.07237  -0.08565 101 7AZ B O58 
1609 P P59 . 7AZ G . ? 0.21085 0.37558 0.27866 -0.01943 -0.01345 -0.11575 101 7AZ B P59 
1610 O O71 . 7AZ G . ? 0.28863 0.47620 0.32043 0.05387  -0.00457 -0.08663 101 7AZ B O71 
1611 O O70 . 7AZ G . ? 0.32593 0.47171 0.34573 0.05528  -0.00807 -0.07816 101 7AZ B O70 
1612 O O60 . 7AZ G . ? 0.33737 0.49093 0.33106 0.06813  -0.01202 -0.07475 101 7AZ B O60 
1613 O O37 . 7AZ G . ? 0.25037 0.18974 0.24459 -0.03674 0.01361  -0.07771 101 7AZ B O37 
1614 O O36 . 7AZ G . ? 0.24635 0.14099 0.22136 0.00961  0.00133  -0.04675 101 7AZ B O36 
# 
