data_8QK0
# 
_entry.id   8QK0 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.398 
_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   8QK0         pdb_00008qk0 10.2210/pdb8qk0/pdb 
WWPDB D_1292133378 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-11-06 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8QK0 
_pdbx_database_status.recvd_initial_deposition_date   2023-09-14 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB '8QJG contains a different domain from the same proteinn' 8QJG unspecified 
PDB '8QJ6 contains a different domain from the same protein'  8QJ6 unspecified 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              Tom.Clarke@uea.ac.uk 
_pdbx_contact_author.name_first         Thomas 
_pdbx_contact_author.name_last          Clarke 
_pdbx_contact_author.name_mi            A. 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-6234-1914 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Nash, B.W.'    1 0009-0002-6771-3921 
'Edwards, M.J.' 2 0000-0002-0243-3788 
'Clarke, T.A.'  3 0000-0002-6234-1914 
# 
_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                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Protein Sci.' 
_citation.journal_id_ASTM           PRCIEI 
_citation.journal_id_CSD            0795 
_citation.journal_id_ISSN           1469-896X 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            33 
_citation.language                  ? 
_citation.page_first                e5200 
_citation.page_last                 e5200 
_citation.title                     
'Tethered heme domains in a triheme cytochrome allow for increased electron transport distances.' 
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/pro.5200 
_citation.pdbx_database_id_PubMed   39470321 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Nash, B.W.'         1  ?                   
primary 'Fernandes, T.M.'    2  ?                   
primary 'Burton, J.A.J.'     3  ?                   
primary 'Morgado, L.'        4  ?                   
primary 'van Wonderen, J.H.' 5  ?                   
primary 'Svistunenko, D.A.'  6  ?                   
primary 'Edwards, M.J.'      7  ?                   
primary 'Salgueiro, C.A.'    8  ?                   
primary 'Butt, J.N.'         9  ?                   
primary 'Clarke, T.A.'       10 0000-0002-6234-1914 
# 
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 'Lipoprotein cytochrome c' 10666.068 2   ? ? ? ? 
2 non-polymer syn 'HEME C'                   618.503   2   ? ? ? ? 
3 non-polymer syn 'SODIUM ION'               22.990    4   ? ? ? ? 
4 non-polymer syn GLYCEROL                   92.094    1   ? ? ? ? 
5 water       nat water                      18.015    179 ? ? ? ? 
# 
_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       
;MKFKLNLITLALLANTGLAVAADGVDPGKTVYDSRCASCHRLGTYDASGSAPNLSRAGTKIDGKFTAGVSGHKGITLTAA
DLANLKTFVNANGSGWSHPQFEK
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MKFKLNLITLALLANTGLAVAADGVDPGKTVYDSRCASCHRLGTYDASGSAPNLSRAGTKIDGKFTAGVSGHKGITLTAA
DLANLKTFVNANGSGWSHPQFEK
;
_entity_poly.pdbx_strand_id                 A,C 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'HEME C'     HEC 
3 'SODIUM ION' NA  
4 GLYCEROL     GOL 
5 water        HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   LYS n 
1 3   PHE n 
1 4   LYS n 
1 5   LEU n 
1 6   ASN n 
1 7   LEU n 
1 8   ILE n 
1 9   THR n 
1 10  LEU n 
1 11  ALA n 
1 12  LEU n 
1 13  LEU n 
1 14  ALA n 
1 15  ASN n 
1 16  THR n 
1 17  GLY n 
1 18  LEU n 
1 19  ALA n 
1 20  VAL n 
1 21  ALA n 
1 22  ALA n 
1 23  ASP n 
1 24  GLY n 
1 25  VAL n 
1 26  ASP n 
1 27  PRO n 
1 28  GLY n 
1 29  LYS n 
1 30  THR n 
1 31  VAL n 
1 32  TYR n 
1 33  ASP n 
1 34  SER n 
1 35  ARG n 
1 36  CYS n 
1 37  ALA n 
1 38  SER n 
1 39  CYS n 
1 40  HIS n 
1 41  ARG n 
1 42  LEU n 
1 43  GLY n 
1 44  THR n 
1 45  TYR n 
1 46  ASP n 
1 47  ALA n 
1 48  SER n 
1 49  GLY n 
1 50  SER n 
1 51  ALA n 
1 52  PRO n 
1 53  ASN n 
1 54  LEU n 
1 55  SER n 
1 56  ARG n 
1 57  ALA n 
1 58  GLY n 
1 59  THR n 
1 60  LYS n 
1 61  ILE n 
1 62  ASP n 
1 63  GLY n 
1 64  LYS n 
1 65  PHE n 
1 66  THR n 
1 67  ALA n 
1 68  GLY n 
1 69  VAL n 
1 70  SER n 
1 71  GLY n 
1 72  HIS n 
1 73  LYS n 
1 74  GLY n 
1 75  ILE n 
1 76  THR n 
1 77  LEU n 
1 78  THR n 
1 79  ALA n 
1 80  ALA n 
1 81  ASP n 
1 82  LEU n 
1 83  ALA n 
1 84  ASN n 
1 85  LEU n 
1 86  LYS n 
1 87  THR n 
1 88  PHE n 
1 89  VAL n 
1 90  ASN n 
1 91  ALA n 
1 92  ASN n 
1 93  GLY n 
1 94  SER n 
1 95  GLY n 
1 96  TRP n 
1 97  SER n 
1 98  HIS n 
1 99  PRO n 
1 100 GLN n 
1 101 PHE n 
1 102 GLU n 
1 103 LYS 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                   103 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 pgcA 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    PCA 
_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      'Geobacter sulfurreducens PCA' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     243231 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 51573 
_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      'Shewanella oneidensis MR-1' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     211586 
_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               LS527 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 700550 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ?                               'C3 H7 N O2'       89.093  
ARG 'L-peptide linking' y ARGININE        ?                               'C6 H15 N4 O2 1'   175.209 
ASN 'L-peptide linking' y ASPARAGINE      ?                               'C4 H8 N2 O3'      132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ?                               'C4 H7 N O4'       133.103 
CYS 'L-peptide linking' y CYSTEINE        ?                               'C3 H7 N O2 S'     121.158 
GLN 'L-peptide linking' y GLUTAMINE       ?                               'C5 H10 N2 O3'     146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ?                               'C5 H9 N O4'       147.129 
GLY 'peptide linking'   y GLYCINE         ?                               'C2 H5 N O2'       75.067  
GOL non-polymer         . GLYCEROL        'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'         92.094  
HEC non-polymer         . 'HEME C'        ?                               'C34 H34 Fe N4 O4' 618.503 
HIS 'L-peptide linking' y HISTIDINE       ?                               'C6 H10 N3 O2 1'   156.162 
HOH non-polymer         . WATER           ?                               'H2 O'             18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ?                               'C6 H13 N O2'      131.173 
LEU 'L-peptide linking' y LEUCINE         ?                               'C6 H13 N O2'      131.173 
LYS 'L-peptide linking' y LYSINE          ?                               'C6 H15 N2 O2 1'   147.195 
MET 'L-peptide linking' y METHIONINE      ?                               'C5 H11 N O2 S'    149.211 
NA  non-polymer         . 'SODIUM ION'    ?                               'Na 1'             22.990  
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_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   -20 ?  ?   ?   A . n 
A 1 2   LYS 2   -19 ?  ?   ?   A . n 
A 1 3   PHE 3   -18 ?  ?   ?   A . n 
A 1 4   LYS 4   -17 ?  ?   ?   A . n 
A 1 5   LEU 5   -16 ?  ?   ?   A . n 
A 1 6   ASN 6   -15 ?  ?   ?   A . n 
A 1 7   LEU 7   -14 ?  ?   ?   A . n 
A 1 8   ILE 8   -13 ?  ?   ?   A . n 
A 1 9   THR 9   -12 ?  ?   ?   A . n 
A 1 10  LEU 10  -11 ?  ?   ?   A . n 
A 1 11  ALA 11  -10 ?  ?   ?   A . n 
A 1 12  LEU 12  -9  ?  ?   ?   A . n 
A 1 13  LEU 13  -8  ?  ?   ?   A . n 
A 1 14  ALA 14  -7  ?  ?   ?   A . n 
A 1 15  ASN 15  -6  ?  ?   ?   A . n 
A 1 16  THR 16  -5  ?  ?   ?   A . n 
A 1 17  GLY 17  -4  ?  ?   ?   A . n 
A 1 18  LEU 18  -3  ?  ?   ?   A . n 
A 1 19  ALA 19  -2  ?  ?   ?   A . n 
A 1 20  VAL 20  -1  ?  ?   ?   A . n 
A 1 21  ALA 21  0   ?  ?   ?   A . n 
A 1 22  ALA 22  1   ?  ?   ?   A . n 
A 1 23  ASP 23  2   ?  ?   ?   A . n 
A 1 24  GLY 24  3   3  GLY GLY A . n 
A 1 25  VAL 25  4   4  VAL VAL A . n 
A 1 26  ASP 26  5   5  ASP ASP A . n 
A 1 27  PRO 27  6   6  PRO PRO A . n 
A 1 28  GLY 28  7   7  GLY GLY A . n 
A 1 29  LYS 29  8   8  LYS LYS A . n 
A 1 30  THR 30  9   9  THR THR A . n 
A 1 31  VAL 31  10  10 VAL VAL A . n 
A 1 32  TYR 32  11  11 TYR TYR A . n 
A 1 33  ASP 33  12  12 ASP ASP A . n 
A 1 34  SER 34  13  13 SER SER A . n 
A 1 35  ARG 35  14  14 ARG ARG A . n 
A 1 36  CYS 36  15  15 CYS CYS A . n 
A 1 37  ALA 37  16  16 ALA ALA A . n 
A 1 38  SER 38  17  17 SER SER A . n 
A 1 39  CYS 39  18  18 CYS CYS A . n 
A 1 40  HIS 40  19  19 HIS HIS A . n 
A 1 41  ARG 41  20  20 ARG ARG A . n 
A 1 42  LEU 42  21  21 LEU LEU A . n 
A 1 43  GLY 43  22  22 GLY GLY A . n 
A 1 44  THR 44  23  23 THR THR A . n 
A 1 45  TYR 45  24  24 TYR TYR A . n 
A 1 46  ASP 46  25  25 ASP ASP A . n 
A 1 47  ALA 47  26  26 ALA ALA A . n 
A 1 48  SER 48  27  27 SER SER A . n 
A 1 49  GLY 49  28  28 GLY GLY A . n 
A 1 50  SER 50  29  29 SER SER A . n 
A 1 51  ALA 51  30  30 ALA ALA A . n 
A 1 52  PRO 52  31  31 PRO PRO A . n 
A 1 53  ASN 53  32  32 ASN ASN A . n 
A 1 54  LEU 54  33  33 LEU LEU A . n 
A 1 55  SER 55  34  34 SER SER A . n 
A 1 56  ARG 56  35  35 ARG ARG A . n 
A 1 57  ALA 57  36  36 ALA ALA A . n 
A 1 58  GLY 58  37  37 GLY GLY A . n 
A 1 59  THR 59  38  38 THR THR A . n 
A 1 60  LYS 60  39  39 LYS LYS A . n 
A 1 61  ILE 61  40  40 ILE ILE A . n 
A 1 62  ASP 62  41  41 ASP ASP A . n 
A 1 63  GLY 63  42  42 GLY GLY A . n 
A 1 64  LYS 64  43  43 LYS LYS A . n 
A 1 65  PHE 65  44  44 PHE PHE A . n 
A 1 66  THR 66  45  45 THR THR A . n 
A 1 67  ALA 67  46  46 ALA ALA A . n 
A 1 68  GLY 68  47  47 GLY GLY A . n 
A 1 69  VAL 69  48  48 VAL VAL A . n 
A 1 70  SER 70  49  49 SER SER A . n 
A 1 71  GLY 71  50  50 GLY GLY A . n 
A 1 72  HIS 72  51  51 HIS HIS A . n 
A 1 73  LYS 73  52  52 LYS LYS A . n 
A 1 74  GLY 74  53  53 GLY GLY A . n 
A 1 75  ILE 75  54  54 ILE ILE A . n 
A 1 76  THR 76  55  55 THR THR A . n 
A 1 77  LEU 77  56  56 LEU LEU A . n 
A 1 78  THR 78  57  57 THR THR A . n 
A 1 79  ALA 79  58  58 ALA ALA A . n 
A 1 80  ALA 80  59  59 ALA ALA A . n 
A 1 81  ASP 81  60  60 ASP ASP A . n 
A 1 82  LEU 82  61  61 LEU LEU A . n 
A 1 83  ALA 83  62  62 ALA ALA A . n 
A 1 84  ASN 84  63  63 ASN ASN A . n 
A 1 85  LEU 85  64  64 LEU LEU A . n 
A 1 86  LYS 86  65  65 LYS LYS A . n 
A 1 87  THR 87  66  66 THR THR A . n 
A 1 88  PHE 88  67  67 PHE PHE A . n 
A 1 89  VAL 89  68  68 VAL VAL A . n 
A 1 90  ASN 90  69  69 ASN ASN A . n 
A 1 91  ALA 91  70  70 ALA ALA A . n 
A 1 92  ASN 92  71  71 ASN ASN A . n 
A 1 93  GLY 93  72  72 GLY GLY A . n 
A 1 94  SER 94  73  ?  ?   ?   A . n 
A 1 95  GLY 95  74  ?  ?   ?   A . n 
A 1 96  TRP 96  75  ?  ?   ?   A . n 
A 1 97  SER 97  76  76 SER SER A . n 
A 1 98  HIS 98  77  77 HIS HIS A . n 
A 1 99  PRO 99  78  78 PRO PRO A . n 
A 1 100 GLN 100 79  79 GLN GLN A . n 
A 1 101 PHE 101 80  80 PHE PHE A . n 
A 1 102 GLU 102 81  ?  ?   ?   A . n 
A 1 103 LYS 103 82  ?  ?   ?   A . n 
B 1 1   MET 1   -20 ?  ?   ?   C . n 
B 1 2   LYS 2   -19 ?  ?   ?   C . n 
B 1 3   PHE 3   -18 ?  ?   ?   C . n 
B 1 4   LYS 4   -17 ?  ?   ?   C . n 
B 1 5   LEU 5   -16 ?  ?   ?   C . n 
B 1 6   ASN 6   -15 ?  ?   ?   C . n 
B 1 7   LEU 7   -14 ?  ?   ?   C . n 
B 1 8   ILE 8   -13 ?  ?   ?   C . n 
B 1 9   THR 9   -12 ?  ?   ?   C . n 
B 1 10  LEU 10  -11 ?  ?   ?   C . n 
B 1 11  ALA 11  -10 ?  ?   ?   C . n 
B 1 12  LEU 12  -9  ?  ?   ?   C . n 
B 1 13  LEU 13  -8  ?  ?   ?   C . n 
B 1 14  ALA 14  -7  ?  ?   ?   C . n 
B 1 15  ASN 15  -6  ?  ?   ?   C . n 
B 1 16  THR 16  -5  ?  ?   ?   C . n 
B 1 17  GLY 17  -4  ?  ?   ?   C . n 
B 1 18  LEU 18  -3  ?  ?   ?   C . n 
B 1 19  ALA 19  -2  ?  ?   ?   C . n 
B 1 20  VAL 20  -1  ?  ?   ?   C . n 
B 1 21  ALA 21  0   ?  ?   ?   C . n 
B 1 22  ALA 22  1   ?  ?   ?   C . n 
B 1 23  ASP 23  2   ?  ?   ?   C . n 
B 1 24  GLY 24  3   3  GLY GLY C . n 
B 1 25  VAL 25  4   4  VAL VAL C . n 
B 1 26  ASP 26  5   5  ASP ASP C . n 
B 1 27  PRO 27  6   6  PRO PRO C . n 
B 1 28  GLY 28  7   7  GLY GLY C . n 
B 1 29  LYS 29  8   8  LYS LYS C . n 
B 1 30  THR 30  9   9  THR THR C . n 
B 1 31  VAL 31  10  10 VAL VAL C . n 
B 1 32  TYR 32  11  11 TYR TYR C . n 
B 1 33  ASP 33  12  12 ASP ASP C . n 
B 1 34  SER 34  13  13 SER SER C . n 
B 1 35  ARG 35  14  14 ARG ARG C . n 
B 1 36  CYS 36  15  15 CYS CYS C . n 
B 1 37  ALA 37  16  16 ALA ALA C . n 
B 1 38  SER 38  17  17 SER SER C . n 
B 1 39  CYS 39  18  18 CYS CYS C . n 
B 1 40  HIS 40  19  19 HIS HIS C . n 
B 1 41  ARG 41  20  20 ARG ARG C . n 
B 1 42  LEU 42  21  21 LEU LEU C . n 
B 1 43  GLY 43  22  22 GLY GLY C . n 
B 1 44  THR 44  23  23 THR THR C . n 
B 1 45  TYR 45  24  24 TYR TYR C . n 
B 1 46  ASP 46  25  25 ASP ASP C . n 
B 1 47  ALA 47  26  26 ALA ALA C . n 
B 1 48  SER 48  27  27 SER SER C . n 
B 1 49  GLY 49  28  28 GLY GLY C . n 
B 1 50  SER 50  29  29 SER SER C . n 
B 1 51  ALA 51  30  30 ALA ALA C . n 
B 1 52  PRO 52  31  31 PRO PRO C . n 
B 1 53  ASN 53  32  32 ASN ASN C . n 
B 1 54  LEU 54  33  33 LEU LEU C . n 
B 1 55  SER 55  34  34 SER SER C . n 
B 1 56  ARG 56  35  35 ARG ARG C . n 
B 1 57  ALA 57  36  36 ALA ALA C . n 
B 1 58  GLY 58  37  37 GLY GLY C . n 
B 1 59  THR 59  38  38 THR THR C . n 
B 1 60  LYS 60  39  39 LYS LYS C . n 
B 1 61  ILE 61  40  40 ILE ILE C . n 
B 1 62  ASP 62  41  41 ASP ASP C . n 
B 1 63  GLY 63  42  42 GLY GLY C . n 
B 1 64  LYS 64  43  43 LYS LYS C . n 
B 1 65  PHE 65  44  44 PHE PHE C . n 
B 1 66  THR 66  45  45 THR THR C . n 
B 1 67  ALA 67  46  46 ALA ALA C . n 
B 1 68  GLY 68  47  47 GLY GLY C . n 
B 1 69  VAL 69  48  48 VAL VAL C . n 
B 1 70  SER 70  49  49 SER SER C . n 
B 1 71  GLY 71  50  50 GLY GLY C . n 
B 1 72  HIS 72  51  51 HIS HIS C . n 
B 1 73  LYS 73  52  52 LYS LYS C . n 
B 1 74  GLY 74  53  53 GLY GLY C . n 
B 1 75  ILE 75  54  54 ILE ILE C . n 
B 1 76  THR 76  55  55 THR THR C . n 
B 1 77  LEU 77  56  56 LEU LEU C . n 
B 1 78  THR 78  57  57 THR THR C . n 
B 1 79  ALA 79  58  58 ALA ALA C . n 
B 1 80  ALA 80  59  59 ALA ALA C . n 
B 1 81  ASP 81  60  60 ASP ASP C . n 
B 1 82  LEU 82  61  61 LEU LEU C . n 
B 1 83  ALA 83  62  62 ALA ALA C . n 
B 1 84  ASN 84  63  63 ASN ASN C . n 
B 1 85  LEU 85  64  64 LEU LEU C . n 
B 1 86  LYS 86  65  65 LYS LYS C . n 
B 1 87  THR 87  66  66 THR THR C . n 
B 1 88  PHE 88  67  67 PHE PHE C . n 
B 1 89  VAL 89  68  68 VAL VAL C . n 
B 1 90  ASN 90  69  69 ASN ASN C . n 
B 1 91  ALA 91  70  70 ALA ALA C . n 
B 1 92  ASN 92  71  71 ASN ASN C . n 
B 1 93  GLY 93  72  72 GLY GLY C . n 
B 1 94  SER 94  73  ?  ?   ?   C . n 
B 1 95  GLY 95  74  ?  ?   ?   C . n 
B 1 96  TRP 96  75  ?  ?   ?   C . n 
B 1 97  SER 97  76  ?  ?   ?   C . n 
B 1 98  HIS 98  77  ?  ?   ?   C . n 
B 1 99  PRO 99  78  ?  ?   ?   C . n 
B 1 100 GLN 100 79  ?  ?   ?   C . n 
B 1 101 PHE 101 80  ?  ?   ?   C . n 
B 1 102 GLU 102 81  ?  ?   ?   C . n 
B 1 103 LYS 103 82  ?  ?   ?   C . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        HEC 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   HEC 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 2 HEC 1  101 5   HEC HEC A . 
D 3 NA  1  102 1   NA  NA  A . 
E 3 NA  1  103 3   NA  NA  A . 
F 2 HEC 1  101 5   HEC HEC C . 
G 3 NA  1  102 2   NA  NA  C . 
H 3 NA  1  103 4   NA  NA  C . 
I 4 GOL 1  104 1   GOL GOL C . 
J 5 HOH 1  201 119 HOH HOH A . 
J 5 HOH 2  202 135 HOH HOH A . 
J 5 HOH 3  203 140 HOH HOH A . 
J 5 HOH 4  204 56  HOH HOH A . 
J 5 HOH 5  205 137 HOH HOH A . 
J 5 HOH 6  206 88  HOH HOH A . 
J 5 HOH 7  207 174 HOH HOH A . 
J 5 HOH 8  208 24  HOH HOH A . 
J 5 HOH 9  209 118 HOH HOH A . 
J 5 HOH 10 210 19  HOH HOH A . 
J 5 HOH 11 211 103 HOH HOH A . 
J 5 HOH 12 212 68  HOH HOH A . 
J 5 HOH 13 213 91  HOH HOH A . 
J 5 HOH 14 214 109 HOH HOH A . 
J 5 HOH 15 215 4   HOH HOH A . 
J 5 HOH 16 216 22  HOH HOH A . 
J 5 HOH 17 217 64  HOH HOH A . 
J 5 HOH 18 218 154 HOH HOH A . 
J 5 HOH 19 219 8   HOH HOH A . 
J 5 HOH 20 220 156 HOH HOH A . 
J 5 HOH 21 221 10  HOH HOH A . 
J 5 HOH 22 222 110 HOH HOH A . 
J 5 HOH 23 223 95  HOH HOH A . 
J 5 HOH 24 224 169 HOH HOH A . 
J 5 HOH 25 225 31  HOH HOH A . 
J 5 HOH 26 226 161 HOH HOH A . 
J 5 HOH 27 227 12  HOH HOH A . 
J 5 HOH 28 228 16  HOH HOH A . 
J 5 HOH 29 229 40  HOH HOH A . 
J 5 HOH 30 230 25  HOH HOH A . 
J 5 HOH 31 231 21  HOH HOH A . 
J 5 HOH 32 232 177 HOH HOH A . 
J 5 HOH 33 233 1   HOH HOH A . 
J 5 HOH 34 234 77  HOH HOH A . 
J 5 HOH 35 235 15  HOH HOH A . 
J 5 HOH 36 236 97  HOH HOH A . 
J 5 HOH 37 237 65  HOH HOH A . 
J 5 HOH 38 238 150 HOH HOH A . 
J 5 HOH 39 239 30  HOH HOH A . 
J 5 HOH 40 240 3   HOH HOH A . 
J 5 HOH 41 241 79  HOH HOH A . 
J 5 HOH 42 242 127 HOH HOH A . 
J 5 HOH 43 243 114 HOH HOH A . 
J 5 HOH 44 244 89  HOH HOH A . 
J 5 HOH 45 245 155 HOH HOH A . 
J 5 HOH 46 246 136 HOH HOH A . 
J 5 HOH 47 247 125 HOH HOH A . 
J 5 HOH 48 248 83  HOH HOH A . 
J 5 HOH 49 249 35  HOH HOH A . 
J 5 HOH 50 250 153 HOH HOH A . 
J 5 HOH 51 251 26  HOH HOH A . 
J 5 HOH 52 252 33  HOH HOH A . 
J 5 HOH 53 253 165 HOH HOH A . 
J 5 HOH 54 254 66  HOH HOH A . 
J 5 HOH 55 255 45  HOH HOH A . 
J 5 HOH 56 256 149 HOH HOH A . 
J 5 HOH 57 257 70  HOH HOH A . 
J 5 HOH 58 258 81  HOH HOH A . 
J 5 HOH 59 259 123 HOH HOH A . 
J 5 HOH 60 260 71  HOH HOH A . 
J 5 HOH 61 261 38  HOH HOH A . 
J 5 HOH 62 262 7   HOH HOH A . 
J 5 HOH 63 263 50  HOH HOH A . 
J 5 HOH 64 264 143 HOH HOH A . 
J 5 HOH 65 265 49  HOH HOH A . 
J 5 HOH 66 266 117 HOH HOH A . 
J 5 HOH 67 267 130 HOH HOH A . 
J 5 HOH 68 268 131 HOH HOH A . 
J 5 HOH 69 269 115 HOH HOH A . 
J 5 HOH 70 270 100 HOH HOH A . 
J 5 HOH 71 271 178 HOH HOH A . 
J 5 HOH 72 272 133 HOH HOH A . 
J 5 HOH 73 273 167 HOH HOH A . 
J 5 HOH 74 274 152 HOH HOH A . 
J 5 HOH 75 275 29  HOH HOH A . 
J 5 HOH 76 276 151 HOH HOH A . 
J 5 HOH 77 277 61  HOH HOH A . 
J 5 HOH 78 278 46  HOH HOH A . 
J 5 HOH 79 279 141 HOH HOH A . 
J 5 HOH 80 280 62  HOH HOH A . 
J 5 HOH 81 281 126 HOH HOH A . 
J 5 HOH 82 282 73  HOH HOH A . 
J 5 HOH 83 283 129 HOH HOH A . 
J 5 HOH 84 284 158 HOH HOH A . 
J 5 HOH 85 285 87  HOH HOH A . 
J 5 HOH 86 286 145 HOH HOH A . 
J 5 HOH 87 287 170 HOH HOH A . 
J 5 HOH 88 288 122 HOH HOH A . 
J 5 HOH 89 289 47  HOH HOH A . 
K 5 HOH 1  201 176 HOH HOH C . 
K 5 HOH 2  202 168 HOH HOH C . 
K 5 HOH 3  203 172 HOH HOH C . 
K 5 HOH 4  204 20  HOH HOH C . 
K 5 HOH 5  205 11  HOH HOH C . 
K 5 HOH 6  206 107 HOH HOH C . 
K 5 HOH 7  207 72  HOH HOH C . 
K 5 HOH 8  208 42  HOH HOH C . 
K 5 HOH 9  209 78  HOH HOH C . 
K 5 HOH 10 210 173 HOH HOH C . 
K 5 HOH 11 211 17  HOH HOH C . 
K 5 HOH 12 212 44  HOH HOH C . 
K 5 HOH 13 213 23  HOH HOH C . 
K 5 HOH 14 214 147 HOH HOH C . 
K 5 HOH 15 215 5   HOH HOH C . 
K 5 HOH 16 216 146 HOH HOH C . 
K 5 HOH 17 217 18  HOH HOH C . 
K 5 HOH 18 218 99  HOH HOH C . 
K 5 HOH 19 219 55  HOH HOH C . 
K 5 HOH 20 220 2   HOH HOH C . 
K 5 HOH 21 221 59  HOH HOH C . 
K 5 HOH 22 222 32  HOH HOH C . 
K 5 HOH 23 223 98  HOH HOH C . 
K 5 HOH 24 224 148 HOH HOH C . 
K 5 HOH 25 225 27  HOH HOH C . 
K 5 HOH 26 226 48  HOH HOH C . 
K 5 HOH 27 227 84  HOH HOH C . 
K 5 HOH 28 228 6   HOH HOH C . 
K 5 HOH 29 229 36  HOH HOH C . 
K 5 HOH 30 230 28  HOH HOH C . 
K 5 HOH 31 231 63  HOH HOH C . 
K 5 HOH 32 232 116 HOH HOH C . 
K 5 HOH 33 233 9   HOH HOH C . 
K 5 HOH 34 234 160 HOH HOH C . 
K 5 HOH 35 235 113 HOH HOH C . 
K 5 HOH 36 236 53  HOH HOH C . 
K 5 HOH 37 237 34  HOH HOH C . 
K 5 HOH 38 238 139 HOH HOH C . 
K 5 HOH 39 239 142 HOH HOH C . 
K 5 HOH 40 240 124 HOH HOH C . 
K 5 HOH 41 241 90  HOH HOH C . 
K 5 HOH 42 242 54  HOH HOH C . 
K 5 HOH 43 243 43  HOH HOH C . 
K 5 HOH 44 244 60  HOH HOH C . 
K 5 HOH 45 245 39  HOH HOH C . 
K 5 HOH 46 246 132 HOH HOH C . 
K 5 HOH 47 247 128 HOH HOH C . 
K 5 HOH 48 248 82  HOH HOH C . 
K 5 HOH 49 249 92  HOH HOH C . 
K 5 HOH 50 250 121 HOH HOH C . 
K 5 HOH 51 251 175 HOH HOH C . 
K 5 HOH 52 252 96  HOH HOH C . 
K 5 HOH 53 253 58  HOH HOH C . 
K 5 HOH 54 254 144 HOH HOH C . 
K 5 HOH 55 255 166 HOH HOH C . 
K 5 HOH 56 256 179 HOH HOH C . 
K 5 HOH 57 257 86  HOH HOH C . 
K 5 HOH 58 258 75  HOH HOH C . 
K 5 HOH 59 259 163 HOH HOH C . 
K 5 HOH 60 260 37  HOH HOH C . 
K 5 HOH 61 261 94  HOH HOH C . 
K 5 HOH 62 262 67  HOH HOH C . 
K 5 HOH 63 263 171 HOH HOH C . 
K 5 HOH 64 264 162 HOH HOH C . 
K 5 HOH 65 265 111 HOH HOH C . 
K 5 HOH 66 266 106 HOH HOH C . 
K 5 HOH 67 267 51  HOH HOH C . 
K 5 HOH 68 268 41  HOH HOH C . 
K 5 HOH 69 269 13  HOH HOH C . 
K 5 HOH 70 270 69  HOH HOH C . 
K 5 HOH 71 271 102 HOH HOH C . 
K 5 HOH 72 272 157 HOH HOH C . 
K 5 HOH 73 273 104 HOH HOH C . 
K 5 HOH 74 274 112 HOH HOH C . 
K 5 HOH 75 275 164 HOH HOH C . 
K 5 HOH 76 276 14  HOH HOH C . 
K 5 HOH 77 277 108 HOH HOH C . 
K 5 HOH 78 278 120 HOH HOH C . 
K 5 HOH 79 279 76  HOH HOH C . 
K 5 HOH 80 280 52  HOH HOH C . 
K 5 HOH 81 281 93  HOH HOH C . 
K 5 HOH 82 282 57  HOH HOH C . 
K 5 HOH 83 283 134 HOH HOH C . 
K 5 HOH 84 284 138 HOH HOH C . 
K 5 HOH 85 285 80  HOH HOH C . 
K 5 HOH 86 286 105 HOH HOH C . 
K 5 HOH 87 287 101 HOH HOH C . 
K 5 HOH 88 288 159 HOH HOH C . 
K 5 HOH 89 289 85  HOH HOH C . 
K 5 HOH 90 290 74  HOH HOH C . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A PHE 80 ? CB  ? A PHE 101 CB  
2 1 Y 1 A PHE 80 ? CG  ? A PHE 101 CG  
3 1 Y 1 A PHE 80 ? CD1 ? A PHE 101 CD1 
4 1 Y 1 A PHE 80 ? CD2 ? A PHE 101 CD2 
5 1 Y 1 A PHE 80 ? CE1 ? A PHE 101 CE1 
6 1 Y 1 A PHE 80 ? CE2 ? A PHE 101 CE2 
7 1 Y 1 A PHE 80 ? CZ  ? A PHE 101 CZ  
# 
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  ? ? ? '(1.20.1_4487: ???)' 1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                    2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2    ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   99.30 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8QK0 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     75.564 
_cell.length_a_esd                 ? 
_cell.length_b                     55.033 
_cell.length_b_esd                 ? 
_cell.length_c                     37.456 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         8QK0 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                5 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'C 1 2 1' 
_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                   8QK0 
_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             1.80 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          31.72 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              7.0 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
'1:1 mixture of 20 mg per mL protein in 20 mM HEPES 100 mM NaCl pH 7.8 with 2.3 M Na Malonate pH 7.0, 1.8% Jeffamine ED-2001' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            289 
# 
_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 EIGER2 XE 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-05-11 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9537 
_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                        'DIAMOND BEAMLINE I04' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9537 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I04 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8QK0 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.90 
_reflns.d_resolution_low                               44.28 
_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                                     12027 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          8.2 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               0.95 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.147 
_reflns.pdbx_Rpim_I_all                                0.056 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       81356 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.996 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.135 
_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                                    1.90 
_reflns_shell.d_res_low                                     1.94 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           4008 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             760 
_reflns_shell.percent_possible_obs                          97.9 
_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                               5.3 
_reflns_shell.pdbx_chi_squared                              1.01 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     2.3 
_reflns_shell.pdbx_Rrim_I_all                               0.702 
_reflns_shell.pdbx_Rpim_I_all                               0.301 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.842 
_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                                  0.631 
_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                               ? 
_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                                 8QK0 
_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                            1.90 
_refine.ls_d_res_low                             44.28 
_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                     11995 
_refine.ls_number_reflns_R_free                  599 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.57 
_refine.ls_percent_reflns_R_free                 4.99 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2232 
_refine.ls_R_factor_R_free                       0.2632 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2210 
_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       ML 
_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             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_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                 30.01 
_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                            0.27 
_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.pdbx_number_atoms_protein        1028 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         96 
_refine_hist.number_atoms_solvent             179 
_refine_hist.number_atoms_total               1303 
_refine_hist.d_res_high                       1.90 
_refine_hist.d_res_low                        44.28 
# 
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' ? 0.008  ? ?   ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.096  ? ?   ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 16.745 ? 382 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.057  ? 160 ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.016  ? 196 ? f_plane_restr      ? ? 
# 
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' 1.90 2.09  . . 142 2815 99.00  . . . . 0.2347 . . . . . . . . . . . 0.3058 
'X-RAY DIFFRACTION' 2.09 2.39  . . 151 2832 100.00 . . . . 0.2192 . . . . . . . . . . . 0.2651 
'X-RAY DIFFRACTION' 2.39 3.02  . . 147 2857 100.00 . . . . 0.2251 . . . . . . . . . . . 0.2601 
'X-RAY DIFFRACTION' 3.02 44.28 . . 159 2892 100.00 . . . . 0.2154 . . . . . . . . . . . 0.2528 
# 
_struct.entry_id                     8QK0 
_struct.title                        'Crystal structure of cytochrome domain 3 from PgcA' 
_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        8QK0 
_struct_keywords.text            
'Cytochrome, Geobacter sulfurreducens, extracellular electron transfer, mineral reduction., ELECTRON TRANSPORT' 
_struct_keywords.pdbx_keywords   'ELECTRON TRANSPORT' 
# 
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 3 ? 
E N N 3 ? 
F N N 2 ? 
G N N 3 ? 
H N N 3 ? 
I N N 4 ? 
J N N 5 ? 
K N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    Q74CB3_GEOSL 
_struct_ref.pdbx_db_accession          Q74CB3 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   VDPGKTVYDSRCASCHRLGTYDASGSAPNLSRAGTKIDGKFTAGVSGHKGITLTAADLANLKTFVNAN 
_struct_ref.pdbx_align_begin           444 
# 
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 8QK0 A 25 ? 92 ? Q74CB3 444 ? 511 ? 4 71 
2 1 8QK0 C 25 ? 92 ? Q74CB3 444 ? 511 ? 4 71 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 8QK0 MET A 1   ? UNP Q74CB3 ? ? 'initiating methionine' -20 1  
1 8QK0 LYS A 2   ? UNP Q74CB3 ? ? 'expression tag'        -19 2  
1 8QK0 PHE A 3   ? UNP Q74CB3 ? ? 'expression tag'        -18 3  
1 8QK0 LYS A 4   ? UNP Q74CB3 ? ? 'expression tag'        -17 4  
1 8QK0 LEU A 5   ? UNP Q74CB3 ? ? 'expression tag'        -16 5  
1 8QK0 ASN A 6   ? UNP Q74CB3 ? ? 'expression tag'        -15 6  
1 8QK0 LEU A 7   ? UNP Q74CB3 ? ? 'expression tag'        -14 7  
1 8QK0 ILE A 8   ? UNP Q74CB3 ? ? 'expression tag'        -13 8  
1 8QK0 THR A 9   ? UNP Q74CB3 ? ? 'expression tag'        -12 9  
1 8QK0 LEU A 10  ? UNP Q74CB3 ? ? 'expression tag'        -11 10 
1 8QK0 ALA A 11  ? UNP Q74CB3 ? ? 'expression tag'        -10 11 
1 8QK0 LEU A 12  ? UNP Q74CB3 ? ? 'expression tag'        -9  12 
1 8QK0 LEU A 13  ? UNP Q74CB3 ? ? 'expression tag'        -8  13 
1 8QK0 ALA A 14  ? UNP Q74CB3 ? ? 'expression tag'        -7  14 
1 8QK0 ASN A 15  ? UNP Q74CB3 ? ? 'expression tag'        -6  15 
1 8QK0 THR A 16  ? UNP Q74CB3 ? ? 'expression tag'        -5  16 
1 8QK0 GLY A 17  ? UNP Q74CB3 ? ? 'expression tag'        -4  17 
1 8QK0 LEU A 18  ? UNP Q74CB3 ? ? 'expression tag'        -3  18 
1 8QK0 ALA A 19  ? UNP Q74CB3 ? ? 'expression tag'        -2  19 
1 8QK0 VAL A 20  ? UNP Q74CB3 ? ? 'expression tag'        -1  20 
1 8QK0 ALA A 21  ? UNP Q74CB3 ? ? 'expression tag'        0   21 
1 8QK0 ALA A 22  ? UNP Q74CB3 ? ? 'expression tag'        1   22 
1 8QK0 ASP A 23  ? UNP Q74CB3 ? ? 'expression tag'        2   23 
1 8QK0 GLY A 24  ? UNP Q74CB3 ? ? 'expression tag'        3   24 
1 8QK0 GLY A 93  ? UNP Q74CB3 ? ? 'expression tag'        72  25 
1 8QK0 SER A 94  ? UNP Q74CB3 ? ? 'expression tag'        73  26 
1 8QK0 GLY A 95  ? UNP Q74CB3 ? ? 'expression tag'        74  27 
1 8QK0 TRP A 96  ? UNP Q74CB3 ? ? 'expression tag'        75  28 
1 8QK0 SER A 97  ? UNP Q74CB3 ? ? 'expression tag'        76  29 
1 8QK0 HIS A 98  ? UNP Q74CB3 ? ? 'expression tag'        77  30 
1 8QK0 PRO A 99  ? UNP Q74CB3 ? ? 'expression tag'        78  31 
1 8QK0 GLN A 100 ? UNP Q74CB3 ? ? 'expression tag'        79  32 
1 8QK0 PHE A 101 ? UNP Q74CB3 ? ? 'expression tag'        80  33 
1 8QK0 GLU A 102 ? UNP Q74CB3 ? ? 'expression tag'        81  34 
1 8QK0 LYS A 103 ? UNP Q74CB3 ? ? 'expression tag'        82  35 
2 8QK0 MET C 1   ? UNP Q74CB3 ? ? 'initiating methionine' -20 36 
2 8QK0 LYS C 2   ? UNP Q74CB3 ? ? 'expression tag'        -19 37 
2 8QK0 PHE C 3   ? UNP Q74CB3 ? ? 'expression tag'        -18 38 
2 8QK0 LYS C 4   ? UNP Q74CB3 ? ? 'expression tag'        -17 39 
2 8QK0 LEU C 5   ? UNP Q74CB3 ? ? 'expression tag'        -16 40 
2 8QK0 ASN C 6   ? UNP Q74CB3 ? ? 'expression tag'        -15 41 
2 8QK0 LEU C 7   ? UNP Q74CB3 ? ? 'expression tag'        -14 42 
2 8QK0 ILE C 8   ? UNP Q74CB3 ? ? 'expression tag'        -13 43 
2 8QK0 THR C 9   ? UNP Q74CB3 ? ? 'expression tag'        -12 44 
2 8QK0 LEU C 10  ? UNP Q74CB3 ? ? 'expression tag'        -11 45 
2 8QK0 ALA C 11  ? UNP Q74CB3 ? ? 'expression tag'        -10 46 
2 8QK0 LEU C 12  ? UNP Q74CB3 ? ? 'expression tag'        -9  47 
2 8QK0 LEU C 13  ? UNP Q74CB3 ? ? 'expression tag'        -8  48 
2 8QK0 ALA C 14  ? UNP Q74CB3 ? ? 'expression tag'        -7  49 
2 8QK0 ASN C 15  ? UNP Q74CB3 ? ? 'expression tag'        -6  50 
2 8QK0 THR C 16  ? UNP Q74CB3 ? ? 'expression tag'        -5  51 
2 8QK0 GLY C 17  ? UNP Q74CB3 ? ? 'expression tag'        -4  52 
2 8QK0 LEU C 18  ? UNP Q74CB3 ? ? 'expression tag'        -3  53 
2 8QK0 ALA C 19  ? UNP Q74CB3 ? ? 'expression tag'        -2  54 
2 8QK0 VAL C 20  ? UNP Q74CB3 ? ? 'expression tag'        -1  55 
2 8QK0 ALA C 21  ? UNP Q74CB3 ? ? 'expression tag'        0   56 
2 8QK0 ALA C 22  ? UNP Q74CB3 ? ? 'expression tag'        1   57 
2 8QK0 ASP C 23  ? UNP Q74CB3 ? ? 'expression tag'        2   58 
2 8QK0 GLY C 24  ? UNP Q74CB3 ? ? 'expression tag'        3   59 
2 8QK0 GLY C 93  ? UNP Q74CB3 ? ? 'expression tag'        72  60 
2 8QK0 SER C 94  ? UNP Q74CB3 ? ? 'expression tag'        73  61 
2 8QK0 GLY C 95  ? UNP Q74CB3 ? ? 'expression tag'        74  62 
2 8QK0 TRP C 96  ? UNP Q74CB3 ? ? 'expression tag'        75  63 
2 8QK0 SER C 97  ? UNP Q74CB3 ? ? 'expression tag'        76  64 
2 8QK0 HIS C 98  ? UNP Q74CB3 ? ? 'expression tag'        77  65 
2 8QK0 PRO C 99  ? UNP Q74CB3 ? ? 'expression tag'        78  66 
2 8QK0 GLN C 100 ? UNP Q74CB3 ? ? 'expression tag'        79  67 
2 8QK0 PHE C 101 ? UNP Q74CB3 ? ? 'expression tag'        80  68 
2 8QK0 GLU C 102 ? UNP Q74CB3 ? ? 'expression tag'        81  69 
2 8QK0 LYS C 103 ? UNP Q74CB3 ? ? 'expression tag'        82  70 
# 
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,J   
2 1 B,F,G,H,I,K 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 24 ? CYS A 36 ? GLY A 3  CYS A 15 1 ? 13 
HELX_P HELX_P2 AA2 ALA A 57 ? PHE A 65 ? ALA A 36 PHE A 44 1 ? 9  
HELX_P HELX_P3 AA3 GLY A 71 ? ILE A 75 ? GLY A 50 ILE A 54 5 ? 5  
HELX_P HELX_P4 AA4 THR A 78 ? GLY A 93 ? THR A 57 GLY A 72 1 ? 16 
HELX_P HELX_P5 AA5 VAL B 25 ? CYS B 36 ? VAL C 4  CYS C 15 1 ? 12 
HELX_P HELX_P6 AA6 ALA B 57 ? PHE B 65 ? ALA C 36 PHE C 44 1 ? 9  
HELX_P HELX_P7 AA7 GLY B 71 ? ILE B 75 ? GLY C 50 ILE C 54 5 ? 5  
HELX_P HELX_P8 AA8 THR B 78 ? GLY B 93 ? THR C 57 GLY C 72 1 ? 16 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
covale1  covale none ? A CYS 36 SG  ? ? ? 1_555 C HEC .  CAB ? ? A CYS 15  A HEC 101 1_555 ? ? ? ? ? ? ? 1.766 ? ? 
covale2  covale none ? A CYS 39 SG  ? ? ? 1_555 C HEC .  CAC ? ? A CYS 18  A HEC 101 1_555 ? ? ? ? ? ? ? 1.771 ? ? 
covale3  covale none ? B CYS 36 SG  ? ? ? 1_555 F HEC .  CAB ? ? C CYS 15  C HEC 101 1_555 ? ? ? ? ? ? ? 1.767 ? ? 
covale4  covale none ? B CYS 39 SG  ? ? ? 1_555 F HEC .  CAC ? ? C CYS 18  C HEC 101 1_555 ? ? ? ? ? ? ? 1.779 ? ? 
metalc1  metalc ?    ? A SER 34 O   ? ? ? 1_555 H NA  .  NA  ? ? A SER 13  C NA  103 1_555 ? ? ? ? ? ? ? 2.333 ? ? 
metalc2  metalc ?    ? A ALA 37 O   ? ? ? 1_555 D NA  .  NA  ? ? A ALA 16  A NA  102 1_555 ? ? ? ? ? ? ? 2.157 ? ? 
metalc3  metalc ?    ? A HIS 40 NE2 ? ? ? 1_555 C HEC .  FE  ? ? A HIS 19  A HEC 101 1_555 ? ? ? ? ? ? ? 1.867 ? ? 
metalc4  metalc ?    ? A HIS 40 O   ? ? ? 1_555 D NA  .  NA  ? ? A HIS 19  A NA  102 1_555 ? ? ? ? ? ? ? 2.371 ? ? 
metalc5  metalc ?    ? A ASP 46 OD1 ? ? ? 1_555 D NA  .  NA  ? ? A ASP 25  A NA  102 1_555 ? ? ? ? ? ? ? 2.762 ? ? 
metalc6  metalc ?    ? A ASP 46 OD2 ? ? ? 1_555 D NA  .  NA  ? ? A ASP 25  A NA  102 1_555 ? ? ? ? ? ? ? 2.360 ? ? 
metalc7  metalc ?    ? A SER 48 O   ? ? ? 1_555 D NA  .  NA  ? ? A SER 27  A NA  102 1_555 ? ? ? ? ? ? ? 2.169 ? ? 
metalc8  metalc ?    ? A ASP 62 O   ? ? ? 1_555 E NA  .  NA  ? ? A ASP 41  A NA  103 1_555 ? ? ? ? ? ? ? 2.311 ? ? 
metalc9  metalc ?    ? A PHE 65 O   ? ? ? 1_555 E NA  .  NA  ? ? A PHE 44  A NA  103 1_555 ? ? ? ? ? ? ? 2.493 ? ? 
metalc10 metalc ?    ? A HIS 72 NE2 ? ? ? 1_555 C HEC .  FE  ? ? A HIS 51  A HEC 101 1_555 ? ? ? ? ? ? ? 2.276 ? ? 
metalc11 metalc ?    ? E NA  .  NA  ? ? ? 1_555 J HOH .  O   ? ? A NA  103 A HOH 218 1_555 ? ? ? ? ? ? ? 2.580 ? ? 
metalc12 metalc ?    ? E NA  .  NA  ? ? ? 1_555 J HOH .  O   ? ? A NA  103 A HOH 232 1_555 ? ? ? ? ? ? ? 2.212 ? ? 
metalc13 metalc ?    ? E NA  .  NA  ? ? ? 1_555 J HOH .  O   ? ? A NA  103 A HOH 262 1_555 ? ? ? ? ? ? ? 2.855 ? ? 
metalc14 metalc ?    ? E NA  .  NA  ? ? ? 1_554 B SER 34 O   ? ? A NA  103 C SER 13  1_555 ? ? ? ? ? ? ? 2.257 ? ? 
metalc15 metalc ?    ? J HOH .  O   ? ? ? 1_555 H NA  .  NA  ? ? A HOH 246 C NA  103 1_555 ? ? ? ? ? ? ? 1.946 ? ? 
metalc16 metalc ?    ? B ALA 37 O   ? ? ? 1_555 G NA  .  NA  ? ? C ALA 16  C NA  102 1_555 ? ? ? ? ? ? ? 2.296 ? ? 
metalc17 metalc ?    ? B HIS 40 NE2 ? ? ? 1_555 F HEC .  FE  ? ? C HIS 19  C HEC 101 1_555 ? ? ? ? ? ? ? 1.908 ? ? 
metalc18 metalc ?    ? B HIS 40 O   ? ? ? 1_555 G NA  .  NA  ? ? C HIS 19  C NA  102 1_555 ? ? ? ? ? ? ? 2.272 ? ? 
metalc19 metalc ?    ? B ASP 46 OD1 ? ? ? 1_555 G NA  .  NA  ? ? C ASP 25  C NA  102 1_555 ? ? ? ? ? ? ? 2.754 ? ? 
metalc20 metalc ?    ? B ASP 46 OD2 ? ? ? 1_555 G NA  .  NA  ? ? C ASP 25  C NA  102 1_555 ? ? ? ? ? ? ? 2.345 ? ? 
metalc21 metalc ?    ? B SER 48 O   ? ? ? 1_555 G NA  .  NA  ? ? C SER 27  C NA  102 1_555 ? ? ? ? ? ? ? 2.144 ? ? 
metalc22 metalc ?    ? B ASP 62 O   ? ? ? 1_555 H NA  .  NA  ? ? C ASP 41  C NA  103 1_555 ? ? ? ? ? ? ? 2.262 ? ? 
metalc23 metalc ?    ? B PHE 65 O   ? ? ? 1_555 H NA  .  NA  ? ? C PHE 44  C NA  103 1_555 ? ? ? ? ? ? ? 2.461 ? ? 
metalc24 metalc ?    ? B HIS 72 NE2 ? ? ? 1_555 F HEC .  FE  ? ? C HIS 51  C HEC 101 1_555 ? ? ? ? ? ? ? 2.324 ? ? 
metalc25 metalc ?    ? G NA  .  NA  ? ? ? 1_555 K HOH .  O   ? ? C NA  102 C HOH 216 1_555 ? ? ? ? ? ? ? 2.306 ? ? 
metalc26 metalc ?    ? H NA  .  NA  ? ? ? 1_555 K HOH .  O   ? ? C NA  103 C HOH 258 1_555 ? ? ? ? ? ? ? 2.979 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  O   ? A SER 34 ? A SER 13  ? 1_555 NA ? H NA  . ? C NA  103 ? 1_555 O   ? J HOH .  ? A HOH 246 ? 1_555 83.2  ? 
2  O   ? A SER 34 ? A SER 13  ? 1_555 NA ? H NA  . ? C NA  103 ? 1_555 O   ? B ASP 62 ? C ASP 41  ? 1_555 96.5  ? 
3  O   ? J HOH .  ? A HOH 246 ? 1_555 NA ? H NA  . ? C NA  103 ? 1_555 O   ? B ASP 62 ? C ASP 41  ? 1_555 107.8 ? 
4  O   ? A SER 34 ? A SER 13  ? 1_555 NA ? H NA  . ? C NA  103 ? 1_555 O   ? B PHE 65 ? C PHE 44  ? 1_555 174.4 ? 
5  O   ? J HOH .  ? A HOH 246 ? 1_555 NA ? H NA  . ? C NA  103 ? 1_555 O   ? B PHE 65 ? C PHE 44  ? 1_555 96.5  ? 
6  O   ? B ASP 62 ? C ASP 41  ? 1_555 NA ? H NA  . ? C NA  103 ? 1_555 O   ? B PHE 65 ? C PHE 44  ? 1_555 78.3  ? 
7  O   ? A SER 34 ? A SER 13  ? 1_555 NA ? H NA  . ? C NA  103 ? 1_555 O   ? K HOH .  ? C HOH 258 ? 1_555 93.7  ? 
8  O   ? J HOH .  ? A HOH 246 ? 1_555 NA ? H NA  . ? C NA  103 ? 1_555 O   ? K HOH .  ? C HOH 258 ? 1_555 81.8  ? 
9  O   ? B ASP 62 ? C ASP 41  ? 1_555 NA ? H NA  . ? C NA  103 ? 1_555 O   ? K HOH .  ? C HOH 258 ? 1_555 166.7 ? 
10 O   ? B PHE 65 ? C PHE 44  ? 1_555 NA ? H NA  . ? C NA  103 ? 1_555 O   ? K HOH .  ? C HOH 258 ? 1_555 91.7  ? 
11 O   ? A ALA 37 ? A ALA 16  ? 1_555 NA ? D NA  . ? A NA  102 ? 1_555 O   ? A HIS 40 ? A HIS 19  ? 1_555 92.2  ? 
12 O   ? A ALA 37 ? A ALA 16  ? 1_555 NA ? D NA  . ? A NA  102 ? 1_555 OD1 ? A ASP 46 ? A ASP 25  ? 1_555 143.7 ? 
13 O   ? A HIS 40 ? A HIS 19  ? 1_555 NA ? D NA  . ? A NA  102 ? 1_555 OD1 ? A ASP 46 ? A ASP 25  ? 1_555 109.3 ? 
14 O   ? A ALA 37 ? A ALA 16  ? 1_555 NA ? D NA  . ? A NA  102 ? 1_555 OD2 ? A ASP 46 ? A ASP 25  ? 1_555 107.4 ? 
15 O   ? A HIS 40 ? A HIS 19  ? 1_555 NA ? D NA  . ? A NA  102 ? 1_555 OD2 ? A ASP 46 ? A ASP 25  ? 1_555 81.7  ? 
16 OD1 ? A ASP 46 ? A ASP 25  ? 1_555 NA ? D NA  . ? A NA  102 ? 1_555 OD2 ? A ASP 46 ? A ASP 25  ? 1_555 50.6  ? 
17 O   ? A ALA 37 ? A ALA 16  ? 1_555 NA ? D NA  . ? A NA  102 ? 1_555 O   ? A SER 48 ? A SER 27  ? 1_555 130.7 ? 
18 O   ? A HIS 40 ? A HIS 19  ? 1_555 NA ? D NA  . ? A NA  102 ? 1_555 O   ? A SER 48 ? A SER 27  ? 1_555 90.6  ? 
19 OD1 ? A ASP 46 ? A ASP 25  ? 1_555 NA ? D NA  . ? A NA  102 ? 1_555 O   ? A SER 48 ? A SER 27  ? 1_555 79.5  ? 
20 OD2 ? A ASP 46 ? A ASP 25  ? 1_555 NA ? D NA  . ? A NA  102 ? 1_555 O   ? A SER 48 ? A SER 27  ? 1_555 121.8 ? 
21 NE2 ? A HIS 40 ? A HIS 19  ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 NA  ? C HEC .  ? A HEC 101 ? 1_555 90.2  ? 
22 NE2 ? A HIS 40 ? A HIS 19  ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 NB  ? C HEC .  ? A HEC 101 ? 1_555 85.4  ? 
23 NA  ? C HEC .  ? A HEC 101 ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 NB  ? C HEC .  ? A HEC 101 ? 1_555 91.8  ? 
24 NE2 ? A HIS 40 ? A HIS 19  ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 NC  ? C HEC .  ? A HEC 101 ? 1_555 85.9  ? 
25 NA  ? C HEC .  ? A HEC 101 ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 NC  ? C HEC .  ? A HEC 101 ? 1_555 176.1 ? 
26 NB  ? C HEC .  ? A HEC 101 ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 NC  ? C HEC .  ? A HEC 101 ? 1_555 87.9  ? 
27 NE2 ? A HIS 40 ? A HIS 19  ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 ND  ? C HEC .  ? A HEC 101 ? 1_555 91.2  ? 
28 NA  ? C HEC .  ? A HEC 101 ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 ND  ? C HEC .  ? A HEC 101 ? 1_555 88.8  ? 
29 NB  ? C HEC .  ? A HEC 101 ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 ND  ? C HEC .  ? A HEC 101 ? 1_555 176.6 ? 
30 NC  ? C HEC .  ? A HEC 101 ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 ND  ? C HEC .  ? A HEC 101 ? 1_555 91.2  ? 
31 NE2 ? A HIS 40 ? A HIS 19  ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 NE2 ? A HIS 72 ? A HIS 51  ? 1_555 177.2 ? 
32 NA  ? C HEC .  ? A HEC 101 ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 NE2 ? A HIS 72 ? A HIS 51  ? 1_555 87.4  ? 
33 NB  ? C HEC .  ? A HEC 101 ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 NE2 ? A HIS 72 ? A HIS 51  ? 1_555 96.1  ? 
34 NC  ? C HEC .  ? A HEC 101 ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 NE2 ? A HIS 72 ? A HIS 51  ? 1_555 96.6  ? 
35 ND  ? C HEC .  ? A HEC 101 ? 1_555 FE ? C HEC . ? A HEC 101 ? 1_555 NE2 ? A HIS 72 ? A HIS 51  ? 1_555 87.3  ? 
36 O   ? A ASP 62 ? A ASP 41  ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? A PHE 65 ? A PHE 44  ? 1_555 79.8  ? 
37 O   ? A ASP 62 ? A ASP 41  ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? J HOH .  ? A HOH 218 ? 1_555 79.9  ? 
38 O   ? A PHE 65 ? A PHE 44  ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? J HOH .  ? A HOH 218 ? 1_555 73.4  ? 
39 O   ? A ASP 62 ? A ASP 41  ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? J HOH .  ? A HOH 232 ? 1_555 108.2 ? 
40 O   ? A PHE 65 ? A PHE 44  ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? J HOH .  ? A HOH 232 ? 1_555 91.1  ? 
41 O   ? J HOH .  ? A HOH 218 ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? J HOH .  ? A HOH 232 ? 1_555 161.3 ? 
42 O   ? A ASP 62 ? A ASP 41  ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? J HOH .  ? A HOH 262 ? 1_555 173.1 ? 
43 O   ? A PHE 65 ? A PHE 44  ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? J HOH .  ? A HOH 262 ? 1_555 93.9  ? 
44 O   ? J HOH .  ? A HOH 218 ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? J HOH .  ? A HOH 262 ? 1_555 101.2 ? 
45 O   ? J HOH .  ? A HOH 232 ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? J HOH .  ? A HOH 262 ? 1_555 68.7  ? 
46 O   ? A ASP 62 ? A ASP 41  ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? B SER 34 ? C SER 13  ? 1_555 91.8  ? 
47 O   ? A PHE 65 ? A PHE 44  ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? B SER 34 ? C SER 13  ? 1_555 13.7  ? 
48 O   ? J HOH .  ? A HOH 218 ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? B SER 34 ? C SER 13  ? 1_555 82.0  ? 
49 O   ? J HOH .  ? A HOH 232 ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? B SER 34 ? C SER 13  ? 1_555 80.9  ? 
50 O   ? J HOH .  ? A HOH 262 ? 1_555 NA ? E NA  . ? A NA  103 ? 1_555 O   ? B SER 34 ? C SER 13  ? 1_555 81.6  ? 
51 O   ? B ALA 37 ? C ALA 16  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 O   ? B HIS 40 ? C HIS 19  ? 1_555 97.1  ? 
52 O   ? B ALA 37 ? C ALA 16  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 OD1 ? B ASP 46 ? C ASP 25  ? 1_555 140.3 ? 
53 O   ? B HIS 40 ? C HIS 19  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 OD1 ? B ASP 46 ? C ASP 25  ? 1_555 109.8 ? 
54 O   ? B ALA 37 ? C ALA 16  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 OD2 ? B ASP 46 ? C ASP 25  ? 1_555 102.9 ? 
55 O   ? B HIS 40 ? C HIS 19  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 OD2 ? B ASP 46 ? C ASP 25  ? 1_555 90.8  ? 
56 OD1 ? B ASP 46 ? C ASP 25  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 OD2 ? B ASP 46 ? C ASP 25  ? 1_555 50.0  ? 
57 O   ? B ALA 37 ? C ALA 16  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 O   ? B SER 48 ? C SER 27  ? 1_555 136.5 ? 
58 O   ? B HIS 40 ? C HIS 19  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 O   ? B SER 48 ? C SER 27  ? 1_555 88.9  ? 
59 OD1 ? B ASP 46 ? C ASP 25  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 O   ? B SER 48 ? C SER 27  ? 1_555 74.2  ? 
60 OD2 ? B ASP 46 ? C ASP 25  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 O   ? B SER 48 ? C SER 27  ? 1_555 120.1 ? 
61 O   ? B ALA 37 ? C ALA 16  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 O   ? K HOH .  ? C HOH 216 ? 1_555 98.0  ? 
62 O   ? B HIS 40 ? C HIS 19  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 O   ? K HOH .  ? C HOH 216 ? 1_555 162.6 ? 
63 OD1 ? B ASP 46 ? C ASP 25  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 O   ? K HOH .  ? C HOH 216 ? 1_555 62.2  ? 
64 OD2 ? B ASP 46 ? C ASP 25  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 O   ? K HOH .  ? C HOH 216 ? 1_555 94.3  ? 
65 O   ? B SER 48 ? C SER 27  ? 1_555 NA ? G NA  . ? C NA  102 ? 1_555 O   ? K HOH .  ? C HOH 216 ? 1_555 74.1  ? 
66 NE2 ? B HIS 40 ? C HIS 19  ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 NA  ? F HEC .  ? C HEC 101 ? 1_555 95.2  ? 
67 NE2 ? B HIS 40 ? C HIS 19  ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 NB  ? F HEC .  ? C HEC 101 ? 1_555 85.5  ? 
68 NA  ? F HEC .  ? C HEC 101 ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 NB  ? F HEC .  ? C HEC 101 ? 1_555 91.6  ? 
69 NE2 ? B HIS 40 ? C HIS 19  ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 NC  ? F HEC .  ? C HEC 101 ? 1_555 86.3  ? 
70 NA  ? F HEC .  ? C HEC 101 ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 NC  ? F HEC .  ? C HEC 101 ? 1_555 178.4 ? 
71 NB  ? F HEC .  ? C HEC 101 ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 NC  ? F HEC .  ? C HEC 101 ? 1_555 87.9  ? 
72 NE2 ? B HIS 40 ? C HIS 19  ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 ND  ? F HEC .  ? C HEC 101 ? 1_555 95.6  ? 
73 NA  ? F HEC .  ? C HEC 101 ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 ND  ? F HEC .  ? C HEC 101 ? 1_555 90.9  ? 
74 NB  ? F HEC .  ? C HEC 101 ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 ND  ? F HEC .  ? C HEC 101 ? 1_555 177.2 ? 
75 NC  ? F HEC .  ? C HEC 101 ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 ND  ? F HEC .  ? C HEC 101 ? 1_555 89.6  ? 
76 NE2 ? B HIS 40 ? C HIS 19  ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 NE2 ? B HIS 72 ? C HIS 51  ? 1_555 176.2 ? 
77 NA  ? F HEC .  ? C HEC 101 ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 NE2 ? B HIS 72 ? C HIS 51  ? 1_555 87.8  ? 
78 NB  ? F HEC .  ? C HEC 101 ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 NE2 ? B HIS 72 ? C HIS 51  ? 1_555 96.9  ? 
79 NC  ? F HEC .  ? C HEC 101 ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 NE2 ? B HIS 72 ? C HIS 51  ? 1_555 90.8  ? 
80 ND  ? F HEC .  ? C HEC 101 ? 1_555 FE ? F HEC . ? C HEC 101 ? 1_555 NE2 ? B HIS 72 ? C HIS 51  ? 1_555 81.9  ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 HEC C . ? CYS A 36 ? HEC A 101 ? 1_555 CYS A 15 ? 1_555 CAB SG CYS 2 HEC None Heme/heme-like 
2 HEC C . ? CYS A 39 ? HEC A 101 ? 1_555 CYS A 18 ? 1_555 CAC SG CYS 3 HEC None Heme/heme-like 
3 HEC F . ? CYS B 36 ? HEC C 101 ? 1_555 CYS C 15 ? 1_555 CAB SG CYS 2 HEC None Heme/heme-like 
4 HEC F . ? CYS B 39 ? HEC C 101 ? 1_555 CYS C 18 ? 1_555 CAC SG CYS 3 HEC None Heme/heme-like 
# 
_pdbx_entry_details.entry_id                   8QK0 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1  1 O  C HOH 252 ? ? O C HOH 263 ? ? 1.93 
2  1 O  A HOH 280 ? ? O A HOH 285 ? ? 2.00 
3  1 O  C HOH 222 ? ? O C HOH 255 ? ? 2.02 
4  1 O  A HOH 205 ? ? O A HOH 245 ? ? 2.03 
5  1 O3 C GOL 104 ? ? O C HOH 201 ? ? 2.04 
6  1 N  A GLY 3   ? ? O A HOH 201 ? ? 2.07 
7  1 O  C HOH 255 ? ? O C HOH 257 ? ? 2.09 
8  1 O  C HOH 283 ? ? O C HOH 290 ? ? 2.11 
9  1 O  A HOH 241 ? ? O A HOH 264 ? ? 2.11 
10 1 O  C HOH 277 ? ? O C HOH 286 ? ? 2.13 
11 1 O  A HOH 247 ? ? O A HOH 283 ? ? 2.17 
12 1 O  C HOH 272 ? ? O C HOH 284 ? ? 2.18 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    C 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     240 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    C 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     245 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   4_545 
_pdbx_validate_symm_contact.dist              2.17 
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    C 
_pdbx_validate_planes.auth_seq_id     35 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.119 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
_pdbx_validate_main_chain_plane.id                       1 
_pdbx_validate_main_chain_plane.PDB_model_num            1 
_pdbx_validate_main_chain_plane.auth_comp_id             ASN 
_pdbx_validate_main_chain_plane.auth_asym_id             C 
_pdbx_validate_main_chain_plane.auth_seq_id              71 
_pdbx_validate_main_chain_plane.PDB_ins_code             ? 
_pdbx_validate_main_chain_plane.label_alt_id             ? 
_pdbx_validate_main_chain_plane.improper_torsion_angle   -13.81 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET -20 ? A MET 1   
2  1 Y 1 A LYS -19 ? A LYS 2   
3  1 Y 1 A PHE -18 ? A PHE 3   
4  1 Y 1 A LYS -17 ? A LYS 4   
5  1 Y 1 A LEU -16 ? A LEU 5   
6  1 Y 1 A ASN -15 ? A ASN 6   
7  1 Y 1 A LEU -14 ? A LEU 7   
8  1 Y 1 A ILE -13 ? A ILE 8   
9  1 Y 1 A THR -12 ? A THR 9   
10 1 Y 1 A LEU -11 ? A LEU 10  
11 1 Y 1 A ALA -10 ? A ALA 11  
12 1 Y 1 A LEU -9  ? A LEU 12  
13 1 Y 1 A LEU -8  ? A LEU 13  
14 1 Y 1 A ALA -7  ? A ALA 14  
15 1 Y 1 A ASN -6  ? A ASN 15  
16 1 Y 1 A THR -5  ? A THR 16  
17 1 Y 1 A GLY -4  ? A GLY 17  
18 1 Y 1 A LEU -3  ? A LEU 18  
19 1 Y 1 A ALA -2  ? A ALA 19  
20 1 Y 1 A VAL -1  ? A VAL 20  
21 1 Y 1 A ALA 0   ? A ALA 21  
22 1 Y 1 A ALA 1   ? A ALA 22  
23 1 Y 1 A ASP 2   ? A ASP 23  
24 1 Y 1 A SER 73  ? A SER 94  
25 1 Y 1 A GLY 74  ? A GLY 95  
26 1 Y 1 A TRP 75  ? A TRP 96  
27 1 Y 1 A GLU 81  ? A GLU 102 
28 1 Y 1 A LYS 82  ? A LYS 103 
29 1 Y 1 C MET -20 ? B MET 1   
30 1 Y 1 C LYS -19 ? B LYS 2   
31 1 Y 1 C PHE -18 ? B PHE 3   
32 1 Y 1 C LYS -17 ? B LYS 4   
33 1 Y 1 C LEU -16 ? B LEU 5   
34 1 Y 1 C ASN -15 ? B ASN 6   
35 1 Y 1 C LEU -14 ? B LEU 7   
36 1 Y 1 C ILE -13 ? B ILE 8   
37 1 Y 1 C THR -12 ? B THR 9   
38 1 Y 1 C LEU -11 ? B LEU 10  
39 1 Y 1 C ALA -10 ? B ALA 11  
40 1 Y 1 C LEU -9  ? B LEU 12  
41 1 Y 1 C LEU -8  ? B LEU 13  
42 1 Y 1 C ALA -7  ? B ALA 14  
43 1 Y 1 C ASN -6  ? B ASN 15  
44 1 Y 1 C THR -5  ? B THR 16  
45 1 Y 1 C GLY -4  ? B GLY 17  
46 1 Y 1 C LEU -3  ? B LEU 18  
47 1 Y 1 C ALA -2  ? B ALA 19  
48 1 Y 1 C VAL -1  ? B VAL 20  
49 1 Y 1 C ALA 0   ? B ALA 21  
50 1 Y 1 C ALA 1   ? B ALA 22  
51 1 Y 1 C ASP 2   ? B ASP 23  
52 1 Y 1 C SER 73  ? B SER 94  
53 1 Y 1 C GLY 74  ? B GLY 95  
54 1 Y 1 C TRP 75  ? B TRP 96  
55 1 Y 1 C SER 76  ? B SER 97  
56 1 Y 1 C HIS 77  ? B HIS 98  
57 1 Y 1 C PRO 78  ? B PRO 99  
58 1 Y 1 C GLN 79  ? B GLN 100 
59 1 Y 1 C PHE 80  ? B PHE 101 
60 1 Y 1 C GLU 81  ? B GLU 102 
61 1 Y 1 C LYS 82  ? B LYS 103 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
CYS N    N  N N 74  
CYS CA   C  N R 75  
CYS C    C  N N 76  
CYS O    O  N N 77  
CYS CB   C  N N 78  
CYS SG   S  N N 79  
CYS OXT  O  N N 80  
CYS H    H  N N 81  
CYS H2   H  N N 82  
CYS HA   H  N N 83  
CYS HB2  H  N N 84  
CYS HB3  H  N N 85  
CYS HG   H  N N 86  
CYS HXT  H  N N 87  
GLN N    N  N N 88  
GLN CA   C  N S 89  
GLN C    C  N N 90  
GLN O    O  N N 91  
GLN CB   C  N N 92  
GLN CG   C  N N 93  
GLN CD   C  N N 94  
GLN OE1  O  N N 95  
GLN NE2  N  N N 96  
GLN OXT  O  N N 97  
GLN H    H  N N 98  
GLN H2   H  N N 99  
GLN HA   H  N N 100 
GLN HB2  H  N N 101 
GLN HB3  H  N N 102 
GLN HG2  H  N N 103 
GLN HG3  H  N N 104 
GLN HE21 H  N N 105 
GLN HE22 H  N N 106 
GLN HXT  H  N N 107 
GLU N    N  N N 108 
GLU CA   C  N S 109 
GLU C    C  N N 110 
GLU O    O  N N 111 
GLU CB   C  N N 112 
GLU CG   C  N N 113 
GLU CD   C  N N 114 
GLU OE1  O  N N 115 
GLU OE2  O  N N 116 
GLU OXT  O  N N 117 
GLU H    H  N N 118 
GLU H2   H  N N 119 
GLU HA   H  N N 120 
GLU HB2  H  N N 121 
GLU HB3  H  N N 122 
GLU HG2  H  N N 123 
GLU HG3  H  N N 124 
GLU HE2  H  N N 125 
GLU HXT  H  N N 126 
GLY N    N  N N 127 
GLY CA   C  N N 128 
GLY C    C  N N 129 
GLY O    O  N N 130 
GLY OXT  O  N N 131 
GLY H    H  N N 132 
GLY H2   H  N N 133 
GLY HA2  H  N N 134 
GLY HA3  H  N N 135 
GLY HXT  H  N N 136 
GOL C1   C  N N 137 
GOL O1   O  N N 138 
GOL C2   C  N N 139 
GOL O2   O  N N 140 
GOL C3   C  N N 141 
GOL O3   O  N N 142 
GOL H11  H  N N 143 
GOL H12  H  N N 144 
GOL HO1  H  N N 145 
GOL H2   H  N N 146 
GOL HO2  H  N N 147 
GOL H31  H  N N 148 
GOL H32  H  N N 149 
GOL HO3  H  N N 150 
HEC FE   FE N N 151 
HEC CHA  C  N N 152 
HEC CHB  C  N N 153 
HEC CHC  C  N N 154 
HEC CHD  C  N N 155 
HEC NA   N  Y N 156 
HEC C1A  C  Y N 157 
HEC C2A  C  Y N 158 
HEC C3A  C  Y N 159 
HEC C4A  C  Y N 160 
HEC CMA  C  N N 161 
HEC CAA  C  N N 162 
HEC CBA  C  N N 163 
HEC CGA  C  N N 164 
HEC O1A  O  N N 165 
HEC O2A  O  N N 166 
HEC NB   N  Y N 167 
HEC C1B  C  Y N 168 
HEC C2B  C  Y N 169 
HEC C3B  C  Y N 170 
HEC C4B  C  Y N 171 
HEC CMB  C  N N 172 
HEC CAB  C  N N 173 
HEC CBB  C  N N 174 
HEC NC   N  Y N 175 
HEC C1C  C  Y N 176 
HEC C2C  C  Y N 177 
HEC C3C  C  Y N 178 
HEC C4C  C  Y N 179 
HEC CMC  C  N N 180 
HEC CAC  C  N N 181 
HEC CBC  C  N N 182 
HEC ND   N  Y N 183 
HEC C1D  C  Y N 184 
HEC C2D  C  Y N 185 
HEC C3D  C  Y N 186 
HEC C4D  C  Y N 187 
HEC CMD  C  N N 188 
HEC CAD  C  N N 189 
HEC CBD  C  N N 190 
HEC CGD  C  N N 191 
HEC O1D  O  N N 192 
HEC O2D  O  N N 193 
HEC HHA  H  N N 194 
HEC HHB  H  N N 195 
HEC HHC  H  N N 196 
HEC HHD  H  N N 197 
HEC HMA1 H  N N 198 
HEC HMA2 H  N N 199 
HEC HMA3 H  N N 200 
HEC HAA1 H  N N 201 
HEC HAA2 H  N N 202 
HEC HBA1 H  N N 203 
HEC HBA2 H  N N 204 
HEC H2A  H  N N 205 
HEC HMB1 H  N N 206 
HEC HMB2 H  N N 207 
HEC HMB3 H  N N 208 
HEC HAB  H  N N 209 
HEC HBB1 H  N N 210 
HEC HBB2 H  N N 211 
HEC HBB3 H  N N 212 
HEC HMC1 H  N N 213 
HEC HMC2 H  N N 214 
HEC HMC3 H  N N 215 
HEC HAC  H  N N 216 
HEC HBC1 H  N N 217 
HEC HBC2 H  N N 218 
HEC HBC3 H  N N 219 
HEC HMD1 H  N N 220 
HEC HMD2 H  N N 221 
HEC HMD3 H  N N 222 
HEC HAD1 H  N N 223 
HEC HAD2 H  N N 224 
HEC HBD1 H  N N 225 
HEC HBD2 H  N N 226 
HEC H2D  H  N N 227 
HIS N    N  N N 228 
HIS CA   C  N S 229 
HIS C    C  N N 230 
HIS O    O  N N 231 
HIS CB   C  N N 232 
HIS CG   C  Y N 233 
HIS ND1  N  Y N 234 
HIS CD2  C  Y N 235 
HIS CE1  C  Y N 236 
HIS NE2  N  Y N 237 
HIS OXT  O  N N 238 
HIS H    H  N N 239 
HIS H2   H  N N 240 
HIS HA   H  N N 241 
HIS HB2  H  N N 242 
HIS HB3  H  N N 243 
HIS HD1  H  N N 244 
HIS HD2  H  N N 245 
HIS HE1  H  N N 246 
HIS HE2  H  N N 247 
HIS HXT  H  N N 248 
HOH O    O  N N 249 
HOH H1   H  N N 250 
HOH H2   H  N N 251 
ILE N    N  N N 252 
ILE CA   C  N S 253 
ILE C    C  N N 254 
ILE O    O  N N 255 
ILE CB   C  N S 256 
ILE CG1  C  N N 257 
ILE CG2  C  N N 258 
ILE CD1  C  N N 259 
ILE OXT  O  N N 260 
ILE H    H  N N 261 
ILE H2   H  N N 262 
ILE HA   H  N N 263 
ILE HB   H  N N 264 
ILE HG12 H  N N 265 
ILE HG13 H  N N 266 
ILE HG21 H  N N 267 
ILE HG22 H  N N 268 
ILE HG23 H  N N 269 
ILE HD11 H  N N 270 
ILE HD12 H  N N 271 
ILE HD13 H  N N 272 
ILE HXT  H  N N 273 
LEU N    N  N N 274 
LEU CA   C  N S 275 
LEU C    C  N N 276 
LEU O    O  N N 277 
LEU CB   C  N N 278 
LEU CG   C  N N 279 
LEU CD1  C  N N 280 
LEU CD2  C  N N 281 
LEU OXT  O  N N 282 
LEU H    H  N N 283 
LEU H2   H  N N 284 
LEU HA   H  N N 285 
LEU HB2  H  N N 286 
LEU HB3  H  N N 287 
LEU HG   H  N N 288 
LEU HD11 H  N N 289 
LEU HD12 H  N N 290 
LEU HD13 H  N N 291 
LEU HD21 H  N N 292 
LEU HD22 H  N N 293 
LEU HD23 H  N N 294 
LEU HXT  H  N N 295 
LYS N    N  N N 296 
LYS CA   C  N S 297 
LYS C    C  N N 298 
LYS O    O  N N 299 
LYS CB   C  N N 300 
LYS CG   C  N N 301 
LYS CD   C  N N 302 
LYS CE   C  N N 303 
LYS NZ   N  N N 304 
LYS OXT  O  N N 305 
LYS H    H  N N 306 
LYS H2   H  N N 307 
LYS HA   H  N N 308 
LYS HB2  H  N N 309 
LYS HB3  H  N N 310 
LYS HG2  H  N N 311 
LYS HG3  H  N N 312 
LYS HD2  H  N N 313 
LYS HD3  H  N N 314 
LYS HE2  H  N N 315 
LYS HE3  H  N N 316 
LYS HZ1  H  N N 317 
LYS HZ2  H  N N 318 
LYS HZ3  H  N N 319 
LYS HXT  H  N N 320 
MET N    N  N N 321 
MET CA   C  N S 322 
MET C    C  N N 323 
MET O    O  N N 324 
MET CB   C  N N 325 
MET CG   C  N N 326 
MET SD   S  N N 327 
MET CE   C  N N 328 
MET OXT  O  N N 329 
MET H    H  N N 330 
MET H2   H  N N 331 
MET HA   H  N N 332 
MET HB2  H  N N 333 
MET HB3  H  N N 334 
MET HG2  H  N N 335 
MET HG3  H  N N 336 
MET HE1  H  N N 337 
MET HE2  H  N N 338 
MET HE3  H  N N 339 
MET HXT  H  N N 340 
NA  NA   NA N N 341 
PHE N    N  N N 342 
PHE CA   C  N S 343 
PHE C    C  N N 344 
PHE O    O  N N 345 
PHE CB   C  N N 346 
PHE CG   C  Y N 347 
PHE CD1  C  Y N 348 
PHE CD2  C  Y N 349 
PHE CE1  C  Y N 350 
PHE CE2  C  Y N 351 
PHE CZ   C  Y N 352 
PHE OXT  O  N N 353 
PHE H    H  N N 354 
PHE H2   H  N N 355 
PHE HA   H  N N 356 
PHE HB2  H  N N 357 
PHE HB3  H  N N 358 
PHE HD1  H  N N 359 
PHE HD2  H  N N 360 
PHE HE1  H  N N 361 
PHE HE2  H  N N 362 
PHE HZ   H  N N 363 
PHE HXT  H  N N 364 
PRO N    N  N N 365 
PRO CA   C  N S 366 
PRO C    C  N N 367 
PRO O    O  N N 368 
PRO CB   C  N N 369 
PRO CG   C  N N 370 
PRO CD   C  N N 371 
PRO OXT  O  N N 372 
PRO H    H  N N 373 
PRO HA   H  N N 374 
PRO HB2  H  N N 375 
PRO HB3  H  N N 376 
PRO HG2  H  N N 377 
PRO HG3  H  N N 378 
PRO HD2  H  N N 379 
PRO HD3  H  N N 380 
PRO HXT  H  N N 381 
SER N    N  N N 382 
SER CA   C  N S 383 
SER C    C  N N 384 
SER O    O  N N 385 
SER CB   C  N N 386 
SER OG   O  N N 387 
SER OXT  O  N N 388 
SER H    H  N N 389 
SER H2   H  N N 390 
SER HA   H  N N 391 
SER HB2  H  N N 392 
SER HB3  H  N N 393 
SER HG   H  N N 394 
SER HXT  H  N N 395 
THR N    N  N N 396 
THR CA   C  N S 397 
THR C    C  N N 398 
THR O    O  N N 399 
THR CB   C  N R 400 
THR OG1  O  N N 401 
THR CG2  C  N N 402 
THR OXT  O  N N 403 
THR H    H  N N 404 
THR H2   H  N N 405 
THR HA   H  N N 406 
THR HB   H  N N 407 
THR HG1  H  N N 408 
THR HG21 H  N N 409 
THR HG22 H  N N 410 
THR HG23 H  N N 411 
THR HXT  H  N N 412 
TRP N    N  N N 413 
TRP CA   C  N S 414 
TRP C    C  N N 415 
TRP O    O  N N 416 
TRP CB   C  N N 417 
TRP CG   C  Y N 418 
TRP CD1  C  Y N 419 
TRP CD2  C  Y N 420 
TRP NE1  N  Y N 421 
TRP CE2  C  Y N 422 
TRP CE3  C  Y N 423 
TRP CZ2  C  Y N 424 
TRP CZ3  C  Y N 425 
TRP CH2  C  Y N 426 
TRP OXT  O  N N 427 
TRP H    H  N N 428 
TRP H2   H  N N 429 
TRP HA   H  N N 430 
TRP HB2  H  N N 431 
TRP HB3  H  N N 432 
TRP HD1  H  N N 433 
TRP HE1  H  N N 434 
TRP HE3  H  N N 435 
TRP HZ2  H  N N 436 
TRP HZ3  H  N N 437 
TRP HH2  H  N N 438 
TRP HXT  H  N N 439 
TYR N    N  N N 440 
TYR CA   C  N S 441 
TYR C    C  N N 442 
TYR O    O  N N 443 
TYR CB   C  N N 444 
TYR CG   C  Y N 445 
TYR CD1  C  Y N 446 
TYR CD2  C  Y N 447 
TYR CE1  C  Y N 448 
TYR CE2  C  Y N 449 
TYR CZ   C  Y N 450 
TYR OH   O  N N 451 
TYR OXT  O  N N 452 
TYR H    H  N N 453 
TYR H2   H  N N 454 
TYR HA   H  N N 455 
TYR HB2  H  N N 456 
TYR HB3  H  N N 457 
TYR HD1  H  N N 458 
TYR HD2  H  N N 459 
TYR HE1  H  N N 460 
TYR HE2  H  N N 461 
TYR HH   H  N N 462 
TYR HXT  H  N N 463 
VAL N    N  N N 464 
VAL CA   C  N S 465 
VAL C    C  N N 466 
VAL O    O  N N 467 
VAL CB   C  N N 468 
VAL CG1  C  N N 469 
VAL CG2  C  N N 470 
VAL OXT  O  N N 471 
VAL H    H  N N 472 
VAL H2   H  N N 473 
VAL HA   H  N N 474 
VAL HB   H  N N 475 
VAL HG11 H  N N 476 
VAL HG12 H  N N 477 
VAL HG13 H  N N 478 
VAL HG21 H  N N 479 
VAL HG22 H  N N 480 
VAL HG23 H  N N 481 
VAL HXT  H  N N 482 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
GOL C1  O1   sing N N 129 
GOL C1  C2   sing N N 130 
GOL C1  H11  sing N N 131 
GOL C1  H12  sing N N 132 
GOL O1  HO1  sing N N 133 
GOL C2  O2   sing N N 134 
GOL C2  C3   sing N N 135 
GOL C2  H2   sing N N 136 
GOL O2  HO2  sing N N 137 
GOL C3  O3   sing N N 138 
GOL C3  H31  sing N N 139 
GOL C3  H32  sing N N 140 
GOL O3  HO3  sing N N 141 
HEC FE  NA   sing N N 142 
HEC FE  NB   sing N N 143 
HEC FE  NC   sing N N 144 
HEC FE  ND   sing N N 145 
HEC CHA C1A  doub N N 146 
HEC CHA C4D  sing N N 147 
HEC CHA HHA  sing N N 148 
HEC CHB C4A  doub N N 149 
HEC CHB C1B  sing N N 150 
HEC CHB HHB  sing N N 151 
HEC CHC C4B  doub N N 152 
HEC CHC C1C  sing N N 153 
HEC CHC HHC  sing N N 154 
HEC CHD C4C  doub N N 155 
HEC CHD C1D  sing N N 156 
HEC CHD HHD  sing N N 157 
HEC NA  C1A  sing Y N 158 
HEC NA  C4A  sing Y N 159 
HEC C1A C2A  sing Y N 160 
HEC C2A C3A  doub Y N 161 
HEC C2A CAA  sing N N 162 
HEC C3A C4A  sing Y N 163 
HEC C3A CMA  sing N N 164 
HEC CMA HMA1 sing N N 165 
HEC CMA HMA2 sing N N 166 
HEC CMA HMA3 sing N N 167 
HEC CAA CBA  sing N N 168 
HEC CAA HAA1 sing N N 169 
HEC CAA HAA2 sing N N 170 
HEC CBA CGA  sing N N 171 
HEC CBA HBA1 sing N N 172 
HEC CBA HBA2 sing N N 173 
HEC CGA O1A  doub N N 174 
HEC CGA O2A  sing N N 175 
HEC O2A H2A  sing N N 176 
HEC NB  C1B  sing Y N 177 
HEC NB  C4B  sing Y N 178 
HEC C1B C2B  doub Y N 179 
HEC C2B C3B  sing Y N 180 
HEC C2B CMB  sing N N 181 
HEC C3B C4B  sing Y N 182 
HEC C3B CAB  doub N E 183 
HEC CMB HMB1 sing N N 184 
HEC CMB HMB2 sing N N 185 
HEC CMB HMB3 sing N N 186 
HEC CAB CBB  sing N N 187 
HEC CAB HAB  sing N N 188 
HEC CBB HBB1 sing N N 189 
HEC CBB HBB2 sing N N 190 
HEC CBB HBB3 sing N N 191 
HEC NC  C1C  sing Y N 192 
HEC NC  C4C  sing Y N 193 
HEC C1C C2C  doub Y N 194 
HEC C2C C3C  sing Y N 195 
HEC C2C CMC  sing N N 196 
HEC C3C C4C  sing Y N 197 
HEC C3C CAC  doub N E 198 
HEC CMC HMC1 sing N N 199 
HEC CMC HMC2 sing N N 200 
HEC CMC HMC3 sing N N 201 
HEC CAC CBC  sing N N 202 
HEC CAC HAC  sing N N 203 
HEC CBC HBC1 sing N N 204 
HEC CBC HBC2 sing N N 205 
HEC CBC HBC3 sing N N 206 
HEC ND  C1D  sing Y N 207 
HEC ND  C4D  sing Y N 208 
HEC C1D C2D  doub Y N 209 
HEC C2D C3D  sing Y N 210 
HEC C2D CMD  sing N N 211 
HEC C3D C4D  doub Y N 212 
HEC C3D CAD  sing N N 213 
HEC CMD HMD1 sing N N 214 
HEC CMD HMD2 sing N N 215 
HEC CMD HMD3 sing N N 216 
HEC CAD CBD  sing N N 217 
HEC CAD HAD1 sing N N 218 
HEC CAD HAD2 sing N N 219 
HEC CBD CGD  sing N N 220 
HEC CBD HBD1 sing N N 221 
HEC CBD HBD2 sing N N 222 
HEC CGD O1D  doub N N 223 
HEC CGD O2D  sing N N 224 
HEC O2D H2D  sing N N 225 
HIS N   CA   sing N N 226 
HIS N   H    sing N N 227 
HIS N   H2   sing N N 228 
HIS CA  C    sing N N 229 
HIS CA  CB   sing N N 230 
HIS CA  HA   sing N N 231 
HIS C   O    doub N N 232 
HIS C   OXT  sing N N 233 
HIS CB  CG   sing N N 234 
HIS CB  HB2  sing N N 235 
HIS CB  HB3  sing N N 236 
HIS CG  ND1  sing Y N 237 
HIS CG  CD2  doub Y N 238 
HIS ND1 CE1  doub Y N 239 
HIS ND1 HD1  sing N N 240 
HIS CD2 NE2  sing Y N 241 
HIS CD2 HD2  sing N N 242 
HIS CE1 NE2  sing Y N 243 
HIS CE1 HE1  sing N N 244 
HIS NE2 HE2  sing N N 245 
HIS OXT HXT  sing N N 246 
HOH O   H1   sing N N 247 
HOH O   H2   sing N N 248 
ILE N   CA   sing N N 249 
ILE N   H    sing N N 250 
ILE N   H2   sing N N 251 
ILE CA  C    sing N N 252 
ILE CA  CB   sing N N 253 
ILE CA  HA   sing N N 254 
ILE C   O    doub N N 255 
ILE C   OXT  sing N N 256 
ILE CB  CG1  sing N N 257 
ILE CB  CG2  sing N N 258 
ILE CB  HB   sing N N 259 
ILE CG1 CD1  sing N N 260 
ILE CG1 HG12 sing N N 261 
ILE CG1 HG13 sing N N 262 
ILE CG2 HG21 sing N N 263 
ILE CG2 HG22 sing N N 264 
ILE CG2 HG23 sing N N 265 
ILE CD1 HD11 sing N N 266 
ILE CD1 HD12 sing N N 267 
ILE CD1 HD13 sing N N 268 
ILE OXT HXT  sing N N 269 
LEU N   CA   sing N N 270 
LEU N   H    sing N N 271 
LEU N   H2   sing N N 272 
LEU CA  C    sing N N 273 
LEU CA  CB   sing N N 274 
LEU CA  HA   sing N N 275 
LEU C   O    doub N N 276 
LEU C   OXT  sing N N 277 
LEU CB  CG   sing N N 278 
LEU CB  HB2  sing N N 279 
LEU CB  HB3  sing N N 280 
LEU CG  CD1  sing N N 281 
LEU CG  CD2  sing N N 282 
LEU CG  HG   sing N N 283 
LEU CD1 HD11 sing N N 284 
LEU CD1 HD12 sing N N 285 
LEU CD1 HD13 sing N N 286 
LEU CD2 HD21 sing N N 287 
LEU CD2 HD22 sing N N 288 
LEU CD2 HD23 sing N N 289 
LEU OXT HXT  sing N N 290 
LYS N   CA   sing N N 291 
LYS N   H    sing N N 292 
LYS N   H2   sing N N 293 
LYS CA  C    sing N N 294 
LYS CA  CB   sing N N 295 
LYS CA  HA   sing N N 296 
LYS C   O    doub N N 297 
LYS C   OXT  sing N N 298 
LYS CB  CG   sing N N 299 
LYS CB  HB2  sing N N 300 
LYS CB  HB3  sing N N 301 
LYS CG  CD   sing N N 302 
LYS CG  HG2  sing N N 303 
LYS CG  HG3  sing N N 304 
LYS CD  CE   sing N N 305 
LYS CD  HD2  sing N N 306 
LYS CD  HD3  sing N N 307 
LYS CE  NZ   sing N N 308 
LYS CE  HE2  sing N N 309 
LYS CE  HE3  sing N N 310 
LYS NZ  HZ1  sing N N 311 
LYS NZ  HZ2  sing N N 312 
LYS NZ  HZ3  sing N N 313 
LYS OXT HXT  sing N N 314 
MET N   CA   sing N N 315 
MET N   H    sing N N 316 
MET N   H2   sing N N 317 
MET CA  C    sing N N 318 
MET CA  CB   sing N N 319 
MET CA  HA   sing N N 320 
MET C   O    doub N N 321 
MET C   OXT  sing N N 322 
MET CB  CG   sing N N 323 
MET CB  HB2  sing N N 324 
MET CB  HB3  sing N N 325 
MET CG  SD   sing N N 326 
MET CG  HG2  sing N N 327 
MET CG  HG3  sing N N 328 
MET SD  CE   sing N N 329 
MET CE  HE1  sing N N 330 
MET CE  HE2  sing N N 331 
MET CE  HE3  sing N N 332 
MET OXT HXT  sing N N 333 
PHE N   CA   sing N N 334 
PHE N   H    sing N N 335 
PHE N   H2   sing N N 336 
PHE CA  C    sing N N 337 
PHE CA  CB   sing N N 338 
PHE CA  HA   sing N N 339 
PHE C   O    doub N N 340 
PHE C   OXT  sing N N 341 
PHE CB  CG   sing N N 342 
PHE CB  HB2  sing N N 343 
PHE CB  HB3  sing N N 344 
PHE CG  CD1  doub Y N 345 
PHE CG  CD2  sing Y N 346 
PHE CD1 CE1  sing Y N 347 
PHE CD1 HD1  sing N N 348 
PHE CD2 CE2  doub Y N 349 
PHE CD2 HD2  sing N N 350 
PHE CE1 CZ   doub Y N 351 
PHE CE1 HE1  sing N N 352 
PHE CE2 CZ   sing Y N 353 
PHE CE2 HE2  sing N N 354 
PHE CZ  HZ   sing N N 355 
PHE OXT HXT  sing N N 356 
PRO N   CA   sing N N 357 
PRO N   CD   sing N N 358 
PRO N   H    sing N N 359 
PRO CA  C    sing N N 360 
PRO CA  CB   sing N N 361 
PRO CA  HA   sing N N 362 
PRO C   O    doub N N 363 
PRO C   OXT  sing N N 364 
PRO CB  CG   sing N N 365 
PRO CB  HB2  sing N N 366 
PRO CB  HB3  sing N N 367 
PRO CG  CD   sing N N 368 
PRO CG  HG2  sing N N 369 
PRO CG  HG3  sing N N 370 
PRO CD  HD2  sing N N 371 
PRO CD  HD3  sing N N 372 
PRO OXT HXT  sing N N 373 
SER N   CA   sing N N 374 
SER N   H    sing N N 375 
SER N   H2   sing N N 376 
SER CA  C    sing N N 377 
SER CA  CB   sing N N 378 
SER CA  HA   sing N N 379 
SER C   O    doub N N 380 
SER C   OXT  sing N N 381 
SER CB  OG   sing N N 382 
SER CB  HB2  sing N N 383 
SER CB  HB3  sing N N 384 
SER OG  HG   sing N N 385 
SER OXT HXT  sing N N 386 
THR N   CA   sing N N 387 
THR N   H    sing N N 388 
THR N   H2   sing N N 389 
THR CA  C    sing N N 390 
THR CA  CB   sing N N 391 
THR CA  HA   sing N N 392 
THR C   O    doub N N 393 
THR C   OXT  sing N N 394 
THR CB  OG1  sing N N 395 
THR CB  CG2  sing N N 396 
THR CB  HB   sing N N 397 
THR OG1 HG1  sing N N 398 
THR CG2 HG21 sing N N 399 
THR CG2 HG22 sing N N 400 
THR CG2 HG23 sing N N 401 
THR OXT HXT  sing N N 402 
TRP N   CA   sing N N 403 
TRP N   H    sing N N 404 
TRP N   H2   sing N N 405 
TRP CA  C    sing N N 406 
TRP CA  CB   sing N N 407 
TRP CA  HA   sing N N 408 
TRP C   O    doub N N 409 
TRP C   OXT  sing N N 410 
TRP CB  CG   sing N N 411 
TRP CB  HB2  sing N N 412 
TRP CB  HB3  sing N N 413 
TRP CG  CD1  doub Y N 414 
TRP CG  CD2  sing Y N 415 
TRP CD1 NE1  sing Y N 416 
TRP CD1 HD1  sing N N 417 
TRP CD2 CE2  doub Y N 418 
TRP CD2 CE3  sing Y N 419 
TRP NE1 CE2  sing Y N 420 
TRP NE1 HE1  sing N N 421 
TRP CE2 CZ2  sing Y N 422 
TRP CE3 CZ3  doub Y N 423 
TRP CE3 HE3  sing N N 424 
TRP CZ2 CH2  doub Y N 425 
TRP CZ2 HZ2  sing N N 426 
TRP CZ3 CH2  sing Y N 427 
TRP CZ3 HZ3  sing N N 428 
TRP CH2 HH2  sing N N 429 
TRP OXT HXT  sing N N 430 
TYR N   CA   sing N N 431 
TYR N   H    sing N N 432 
TYR N   H2   sing N N 433 
TYR CA  C    sing N N 434 
TYR CA  CB   sing N N 435 
TYR CA  HA   sing N N 436 
TYR C   O    doub N N 437 
TYR C   OXT  sing N N 438 
TYR CB  CG   sing N N 439 
TYR CB  HB2  sing N N 440 
TYR CB  HB3  sing N N 441 
TYR CG  CD1  doub Y N 442 
TYR CG  CD2  sing Y N 443 
TYR CD1 CE1  sing Y N 444 
TYR CD1 HD1  sing N N 445 
TYR CD2 CE2  doub Y N 446 
TYR CD2 HD2  sing N N 447 
TYR CE1 CZ   doub Y N 448 
TYR CE1 HE1  sing N N 449 
TYR CE2 CZ   sing Y N 450 
TYR CE2 HE2  sing N N 451 
TYR CZ  OH   sing N N 452 
TYR OH  HH   sing N N 453 
TYR OXT HXT  sing N N 454 
VAL N   CA   sing N N 455 
VAL N   H    sing N N 456 
VAL N   H2   sing N N 457 
VAL CA  C    sing N N 458 
VAL CA  CB   sing N N 459 
VAL CA  HA   sing N N 460 
VAL C   O    doub N N 461 
VAL C   OXT  sing N N 462 
VAL CB  CG1  sing N N 463 
VAL CB  CG2  sing N N 464 
VAL CB  HB   sing N N 465 
VAL CG1 HG11 sing N N 466 
VAL CG1 HG12 sing N N 467 
VAL CG1 HG13 sing N N 468 
VAL CG2 HG21 sing N N 469 
VAL CG2 HG22 sing N N 470 
VAL CG2 HG23 sing N N 471 
VAL OXT HXT  sing N N 472 
# 
_pdbx_audit_support.funding_organization   'Biotechnology and Biological Sciences Research Council (BBSRC)' 
_pdbx_audit_support.country                'United Kingdom' 
_pdbx_audit_support.grant_number           BB/T008717/1 
_pdbx_audit_support.ordinal                1 
# 
_atom_sites.entry_id                    8QK0 
_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]   0.013234 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.002167 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.018171 
_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]   0.027054 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
FE 
N  
NA 
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . GLY A 1 24  ? 19.976 9.946   25.270 1.00 32.10 ?  3   GLY A N   1 
ATOM   2    C  CA  . GLY A 1 24  ? 19.519 8.766   24.566 1.00 25.31 ?  3   GLY A CA  1 
ATOM   3    C  C   . GLY A 1 24  ? 18.498 9.065   23.493 1.00 26.76 ?  3   GLY A C   1 
ATOM   4    O  O   . GLY A 1 24  ? 18.334 8.283   22.556 1.00 22.10 ?  3   GLY A O   1 
ATOM   5    N  N   . VAL A 1 25  ? 17.841 10.223  23.603 1.00 22.29 ?  4   VAL A N   1 
ATOM   6    C  CA  . VAL A 1 25  ? 16.663 10.487  22.784 1.00 22.48 ?  4   VAL A CA  1 
ATOM   7    C  C   . VAL A 1 25  ? 17.037 10.629  21.303 1.00 25.30 ?  4   VAL A C   1 
ATOM   8    O  O   . VAL A 1 25  ? 16.354 10.086  20.427 1.00 22.06 ?  4   VAL A O   1 
ATOM   9    C  CB  . VAL A 1 25  ? 15.929 11.735  23.297 1.00 20.43 ?  4   VAL A CB  1 
ATOM   10   C  CG1 . VAL A 1 25  ? 14.690 11.913  22.519 1.00 19.98 ?  4   VAL A CG1 1 
ATOM   11   C  CG2 . VAL A 1 25  ? 15.622 11.643  24.799 1.00 28.54 ?  4   VAL A CG2 1 
ATOM   12   N  N   . ASP A 1 26  ? 18.118 11.365  20.996 1.00 22.31 ?  5   ASP A N   1 
ATOM   13   C  CA  . ASP A 1 26  ? 18.485 11.594  19.599 1.00 24.98 ?  5   ASP A CA  1 
ATOM   14   C  C   . ASP A 1 26  ? 19.039 10.348  18.909 1.00 23.39 ?  5   ASP A C   1 
ATOM   15   O  O   . ASP A 1 26  ? 18.614 10.059  17.777 1.00 22.29 ?  5   ASP A O   1 
ATOM   16   C  CB  . ASP A 1 26  ? 19.455 12.774  19.500 1.00 28.69 ?  5   ASP A CB  1 
ATOM   17   C  CG  . ASP A 1 26  ? 18.792 14.092  19.819 1.00 32.33 ?  5   ASP A CG  1 
ATOM   18   O  OD1 . ASP A 1 26  ? 17.627 14.271  19.391 1.00 29.05 ?  5   ASP A OD1 1 
ATOM   19   O  OD2 . ASP A 1 26  ? 19.415 14.928  20.525 1.00 36.77 -1 5   ASP A OD2 1 
ATOM   20   N  N   . PRO A 1 27  ? 19.980 9.590   19.500 1.00 24.13 ?  6   PRO A N   1 
ATOM   21   C  CA  . PRO A 1 27  ? 20.381 8.327   18.851 1.00 20.92 ?  6   PRO A CA  1 
ATOM   22   C  C   . PRO A 1 27  ? 19.244 7.337   18.772 1.00 15.48 ?  6   PRO A C   1 
ATOM   23   O  O   . PRO A 1 27  ? 19.217 6.500   17.859 1.00 15.35 ?  6   PRO A O   1 
ATOM   24   C  CB  . PRO A 1 27  ? 21.517 7.790   19.736 1.00 21.52 ?  6   PRO A CB  1 
ATOM   25   C  CG  . PRO A 1 27  ? 21.579 8.654   20.943 1.00 25.74 ?  6   PRO A CG  1 
ATOM   26   C  CD  . PRO A 1 27  ? 20.705 9.847   20.758 1.00 24.38 ?  6   PRO A CD  1 
ATOM   27   N  N   . GLY A 1 28  ? 18.314 7.385   19.727 1.00 17.84 ?  7   GLY A N   1 
ATOM   28   C  CA  . GLY A 1 28  ? 17.131 6.550   19.629 1.00 18.05 ?  7   GLY A CA  1 
ATOM   29   C  C   . GLY A 1 28  ? 16.287 6.888   18.414 1.00 14.38 ?  7   GLY A C   1 
ATOM   30   O  O   . GLY A 1 28  ? 15.710 6.003   17.782 1.00 14.82 ?  7   GLY A O   1 
ATOM   31   N  N   . LYS A 1 29  ? 16.201 8.174   18.069 1.00 13.73 ?  8   LYS A N   1 
ATOM   32   C  CA  . LYS A 1 29  ? 15.488 8.551   16.852 1.00 13.89 ?  8   LYS A CA  1 
ATOM   33   C  C   . LYS A 1 29  ? 16.133 7.934   15.615 1.00 13.82 ?  8   LYS A C   1 
ATOM   34   O  O   . LYS A 1 29  ? 15.436 7.428   14.727 1.00 10.74 ?  8   LYS A O   1 
ATOM   35   C  CB  . LYS A 1 29  ? 15.431 10.076  16.736 1.00 16.67 ?  8   LYS A CB  1 
ATOM   36   C  CG  . LYS A 1 29  ? 14.785 10.591  15.461 1.00 18.60 ?  8   LYS A CG  1 
ATOM   37   C  CD  . LYS A 1 29  ? 14.857 12.119  15.423 1.00 14.01 ?  8   LYS A CD  1 
ATOM   38   C  CE  . LYS A 1 29  ? 13.842 12.698  14.471 1.00 14.25 ?  8   LYS A CE  1 
ATOM   39   N  NZ  . LYS A 1 29  ? 14.122 12.251  13.068 1.00 21.49 ?  8   LYS A NZ  1 
ATOM   40   N  N   . THR A 1 30  ? 17.464 7.942   15.551 1.00 14.89 ?  9   THR A N   1 
ATOM   41   C  CA  . THR A 1 30  ? 18.134 7.331   14.413 1.00 14.09 ?  9   THR A CA  1 
ATOM   42   C  C   . THR A 1 30  ? 17.804 5.846   14.334 1.00 14.13 ?  9   THR A C   1 
ATOM   43   O  O   . THR A 1 30  ? 17.503 5.320   13.255 1.00 11.78 ?  9   THR A O   1 
ATOM   44   C  CB  . THR A 1 30  ? 19.645 7.547   14.511 1.00 15.75 ?  9   THR A CB  1 
ATOM   45   O  OG1 . THR A 1 30  ? 19.930 8.953   14.530 1.00 18.05 ?  9   THR A OG1 1 
ATOM   46   C  CG2 . THR A 1 30  ? 20.336 6.912   13.297 1.00 22.31 ?  9   THR A CG2 1 
ATOM   47   N  N   . VAL A 1 31  ? 17.798 5.165   15.485 1.00 12.09 ?  10  VAL A N   1 
ATOM   48   C  CA  . VAL A 1 31  ? 17.414 3.758   15.521 1.00 14.20 ?  10  VAL A CA  1 
ATOM   49   C  C   . VAL A 1 31  ? 16.002 3.567   14.979 1.00 12.98 ?  10  VAL A C   1 
ATOM   50   O  O   . VAL A 1 31  ? 15.761 2.719   14.110 1.00 13.39 ?  10  VAL A O   1 
ATOM   51   C  CB  . VAL A 1 31  ? 17.528 3.204   16.951 1.00 11.26 ?  10  VAL A CB  1 
ATOM   52   C  CG1 . VAL A 1 31  ? 16.853 1.851   17.005 1.00 13.36 ?  10  VAL A CG1 1 
ATOM   53   C  CG2 . VAL A 1 31  ? 18.996 3.091   17.371 1.00 12.67 ?  10  VAL A CG2 1 
ATOM   54   N  N   . TYR A 1 32  ? 15.041 4.321   15.516 1.00 8.40  ?  11  TYR A N   1 
ATOM   55   C  CA  . TYR A 1 32  ? 13.658 4.165   15.086 1.00 9.40  ?  11  TYR A CA  1 
ATOM   56   C  C   . TYR A 1 32  ? 13.524 4.468   13.600 1.00 13.77 ?  11  TYR A C   1 
ATOM   57   O  O   . TYR A 1 32  ? 12.895 3.718   12.845 1.00 14.86 ?  11  TYR A O   1 
ATOM   58   C  CB  . TYR A 1 32  ? 12.721 5.092   15.865 1.00 11.58 ?  11  TYR A CB  1 
ATOM   59   C  CG  . TYR A 1 32  ? 11.310 4.925   15.356 1.00 10.06 ?  11  TYR A CG  1 
ATOM   60   C  CD1 . TYR A 1 32  ? 10.559 3.794   15.686 1.00 14.25 ?  11  TYR A CD1 1 
ATOM   61   C  CD2 . TYR A 1 32  ? 10.789 5.797   14.417 1.00 13.88 ?  11  TYR A CD2 1 
ATOM   62   C  CE1 . TYR A 1 32  ? 9.281  3.597   15.162 1.00 15.71 ?  11  TYR A CE1 1 
ATOM   63   C  CE2 . TYR A 1 32  ? 9.519  5.604   13.882 1.00 12.92 ?  11  TYR A CE2 1 
ATOM   64   C  CZ  . TYR A 1 32  ? 8.781  4.500   14.236 1.00 12.21 ?  11  TYR A CZ  1 
ATOM   65   O  OH  . TYR A 1 32  ? 7.519  4.333   13.702 1.00 14.35 ?  11  TYR A OH  1 
ATOM   66   N  N   . ASP A 1 33  ? 14.112 5.583   13.180 1.00 11.75 ?  12  ASP A N   1 
ATOM   67   C  CA  . ASP A 1 33  ? 13.901 6.107   11.843 1.00 15.89 ?  12  ASP A CA  1 
ATOM   68   C  C   . ASP A 1 33  ? 14.398 5.136   10.797 1.00 13.89 ?  12  ASP A C   1 
ATOM   69   O  O   . ASP A 1 33  ? 13.673 4.804   9.864  1.00 12.84 ?  12  ASP A O   1 
ATOM   70   C  CB  . ASP A 1 33  ? 14.618 7.442   11.688 1.00 15.48 ?  12  ASP A CB  1 
ATOM   71   C  CG  . ASP A 1 33  ? 13.811 8.604   12.233 1.00 14.16 ?  12  ASP A CG  1 
ATOM   72   O  OD1 . ASP A 1 33  ? 12.635 8.425   12.613 1.00 13.21 ?  12  ASP A OD1 1 
ATOM   73   O  OD2 . ASP A 1 33  ? 14.354 9.714   12.218 1.00 22.40 -1 12  ASP A OD2 1 
ATOM   74   N  N   . SER A 1 34  ? 15.635 4.669   10.943 1.00 15.81 ?  13  SER A N   1 
ATOM   75   C  CA  . SER A 1 34  ? 16.243 3.849   9.910  1.00 15.43 ?  13  SER A CA  1 
ATOM   76   C  C   . SER A 1 34  ? 15.904 2.373   10.042 1.00 19.56 ?  13  SER A C   1 
ATOM   77   O  O   . SER A 1 34  ? 16.040 1.638   9.055  1.00 16.85 ?  13  SER A O   1 
ATOM   78   C  CB  . SER A 1 34  ? 17.772 4.027   9.914  1.00 17.00 ?  13  SER A CB  1 
ATOM   79   O  OG  . SER A 1 34  ? 18.327 3.765   11.182 1.00 27.07 ?  13  SER A OG  1 
ATOM   80   N  N   . ARG A 1 35  ? 15.457 1.917   11.220 1.00 16.97 ?  14  ARG A N   1 
ATOM   81   C  CA  . ARG A 1 35  ? 15.334 0.481   11.457 1.00 16.99 ?  14  ARG A CA  1 
ATOM   82   C  C   . ARG A 1 35  ? 13.923 -0.045  11.706 1.00 16.35 ?  14  ARG A C   1 
ATOM   83   O  O   . ARG A 1 35  ? 13.678 -1.233  11.438 1.00 12.90 ?  14  ARG A O   1 
ATOM   84   C  CB  . ARG A 1 35  ? 16.247 0.061   12.614 1.00 16.81 ?  14  ARG A CB  1 
ATOM   85   C  CG  . ARG A 1 35  ? 17.660 0.592   12.364 1.00 19.01 ?  14  ARG A CG  1 
ATOM   86   C  CD  . ARG A 1 35  ? 18.701 -0.331  12.893 1.00 18.21 ?  14  ARG A CD  1 
ATOM   87   N  NE  . ARG A 1 35  ? 18.842 -1.516  12.051 1.00 14.36 ?  14  ARG A NE  1 
ATOM   88   C  CZ  . ARG A 1 35  ? 19.565 -2.573  12.391 1.00 18.06 ?  14  ARG A CZ  1 
ATOM   89   N  NH1 . ARG A 1 35  ? 20.215 -2.617  13.548 1.00 17.98 ?  14  ARG A NH1 1 
ATOM   90   N  NH2 . ARG A 1 35  ? 19.642 -3.610  11.553 1.00 15.67 ?  14  ARG A NH2 1 
ATOM   91   N  N   . CYS A 1 36  ? 12.984 0.779   12.145 1.00 13.88 ?  15  CYS A N   1 
ATOM   92   C  CA  . CYS A 1 36  ? 11.625 0.299   12.406 1.00 14.20 ?  15  CYS A CA  1 
ATOM   93   C  C   . CYS A 1 36  ? 10.548 1.056   11.660 1.00 13.33 ?  15  CYS A C   1 
ATOM   94   O  O   . CYS A 1 36  ? 9.479  0.490   11.419 1.00 16.65 ?  15  CYS A O   1 
ATOM   95   C  CB  . CYS A 1 36  ? 11.286 0.353   13.923 1.00 14.77 ?  15  CYS A CB  1 
ATOM   96   S  SG  . CYS A 1 36  ? 12.662 0.171   15.075 1.00 15.67 ?  15  CYS A SG  1 
ATOM   97   N  N   . ALA A 1 37  ? 10.796 2.318   11.296 1.00 17.47 ?  16  ALA A N   1 
ATOM   98   C  CA  . ALA A 1 37  ? 9.754  3.170   10.735 1.00 16.55 ?  16  ALA A CA  1 
ATOM   99   C  C   . ALA A 1 37  ? 9.240  2.658   9.398  1.00 18.39 ?  16  ALA A C   1 
ATOM   100  O  O   . ALA A 1 37  ? 8.071  2.889   9.070  1.00 21.15 ?  16  ALA A O   1 
ATOM   101  C  CB  . ALA A 1 37  ? 10.269 4.593   10.569 1.00 14.41 ?  16  ALA A CB  1 
ATOM   102  N  N   . SER A 1 38  ? 10.086 1.985   8.609  1.00 18.97 ?  17  SER A N   1 
ATOM   103  C  CA  . SER A 1 38  ? 9.634  1.475   7.314  1.00 20.36 ?  17  SER A CA  1 
ATOM   104  C  C   . SER A 1 38  ? 8.384  0.615   7.450  1.00 20.14 ?  17  SER A C   1 
ATOM   105  O  O   . SER A 1 38  ? 7.585  0.532   6.511  1.00 20.16 ?  17  SER A O   1 
ATOM   106  C  CB  . SER A 1 38  ? 10.753 0.684   6.631  1.00 22.84 ?  17  SER A CB  1 
ATOM   107  O  OG  . SER A 1 38  ? 11.007 -0.523  7.323  1.00 26.07 ?  17  SER A OG  1 
ATOM   108  N  N   . CYS A 1 39  ? 8.182  -0.005  8.618  1.00 15.84 ?  18  CYS A N   1 
ATOM   109  C  CA  . CYS A 1 39  ? 7.019  -0.850  8.881  1.00 15.14 ?  18  CYS A CA  1 
ATOM   110  C  C   . CYS A 1 39  ? 6.133  -0.342  10.005 1.00 16.17 ?  18  CYS A C   1 
ATOM   111  O  O   . CYS A 1 39  ? 4.903  -0.372  9.880  1.00 15.47 ?  18  CYS A O   1 
ATOM   112  C  CB  . CYS A 1 39  ? 7.458  -2.282  9.212  1.00 19.07 ?  18  CYS A CB  1 
ATOM   113  S  SG  . CYS A 1 39  ? 8.448  -3.067  7.914  1.00 15.04 ?  18  CYS A SG  1 
ATOM   114  N  N   . HIS A 1 40  ? 6.722  0.122   11.100 1.00 13.86 ?  19  HIS A N   1 
ATOM   115  C  CA  . HIS A 1 40  ? 5.950  0.433   12.290 1.00 14.55 ?  19  HIS A CA  1 
ATOM   116  C  C   . HIS A 1 40  ? 5.450  1.874   12.277 1.00 17.54 ?  19  HIS A C   1 
ATOM   117  O  O   . HIS A 1 40  ? 5.847  2.702   11.454 1.00 12.14 ?  19  HIS A O   1 
ATOM   118  C  CB  . HIS A 1 40  ? 6.784  0.172   13.541 1.00 14.59 ?  19  HIS A CB  1 
ATOM   119  C  CG  . HIS A 1 40  ? 6.896  -1.276  13.901 1.00 16.08 ?  19  HIS A CG  1 
ATOM   120  N  ND1 . HIS A 1 40  ? 5.895  -1.951  14.568 1.00 17.00 ?  19  HIS A ND1 1 
ATOM   121  C  CD2 . HIS A 1 40  ? 7.898  -2.172  13.723 1.00 15.16 ?  19  HIS A CD2 1 
ATOM   122  C  CE1 . HIS A 1 40  ? 6.265  -3.205  14.760 1.00 17.34 ?  19  HIS A CE1 1 
ATOM   123  N  NE2 . HIS A 1 40  ? 7.478  -3.359  14.269 1.00 14.29 ?  19  HIS A NE2 1 
ATOM   124  N  N   . ARG A 1 41  ? 4.531  2.148   13.193 1.00 12.74 ?  20  ARG A N   1 
ATOM   125  C  CA  . ARG A 1 41  ? 4.091  3.495   13.499 1.00 17.85 ?  20  ARG A CA  1 
ATOM   126  C  C   . ARG A 1 41  ? 4.524  3.825   14.917 1.00 15.13 ?  20  ARG A C   1 
ATOM   127  O  O   . ARG A 1 41  ? 4.884  2.939   15.702 1.00 16.03 ?  20  ARG A O   1 
ATOM   128  C  CB  . ARG A 1 41  ? 2.567  3.640   13.342 1.00 17.18 ?  20  ARG A CB  1 
ATOM   129  C  CG  . ARG A 1 41  ? 1.983  2.926   12.115 1.00 23.20 ?  20  ARG A CG  1 
ATOM   130  C  CD  . ARG A 1 41  ? 0.502  3.225   11.955 1.00 23.89 ?  20  ARG A CD  1 
ATOM   131  N  NE  . ARG A 1 41  ? -0.312 2.446   12.881 1.00 29.96 ?  20  ARG A NE  1 
ATOM   132  C  CZ  . ARG A 1 41  ? -0.509 1.136   12.803 1.00 33.80 ?  20  ARG A CZ  1 
ATOM   133  N  NH1 . ARG A 1 41  ? -0.035 0.419   11.787 1.00 28.06 ?  20  ARG A NH1 1 
ATOM   134  N  NH2 . ARG A 1 41  ? -1.222 0.530   13.753 1.00 30.74 ?  20  ARG A NH2 1 
ATOM   135  N  N   . LEU A 1 42  ? 4.486  5.113   15.241 1.00 18.56 ?  21  LEU A N   1 
ATOM   136  C  CA  . LEU A 1 42  ? 4.890  5.573   16.567 1.00 18.80 ?  21  LEU A CA  1 
ATOM   137  C  C   . LEU A 1 42  ? 4.089  6.828   16.871 1.00 17.37 ?  21  LEU A C   1 
ATOM   138  O  O   . LEU A 1 42  ? 4.319  7.869   16.241 1.00 16.17 ?  21  LEU A O   1 
ATOM   139  C  CB  . LEU A 1 42  ? 6.389  5.856   16.613 1.00 17.14 ?  21  LEU A CB  1 
ATOM   140  C  CG  . LEU A 1 42  ? 6.900  6.406   17.949 1.00 14.40 ?  21  LEU A CG  1 
ATOM   141  C  CD1 . LEU A 1 42  ? 6.649  5.373   19.073 1.00 14.78 ?  21  LEU A CD1 1 
ATOM   142  C  CD2 . LEU A 1 42  ? 8.364  6.828   17.901 1.00 12.54 ?  21  LEU A CD2 1 
ATOM   143  N  N   . GLY A 1 43  ? 3.142  6.721   17.804 1.00 20.15 ?  22  GLY A N   1 
ATOM   144  C  CA  . GLY A 1 43  ? 2.251  7.819   18.146 1.00 19.39 ?  22  GLY A CA  1 
ATOM   145  C  C   . GLY A 1 43  ? 1.789  8.588   16.924 1.00 22.37 ?  22  GLY A C   1 
ATOM   146  O  O   . GLY A 1 43  ? 1.424  7.989   15.907 1.00 20.91 ?  22  GLY A O   1 
ATOM   147  N  N   . THR A 1 44  ? 1.824  9.915   16.997 1.00 18.66 ?  23  THR A N   1 
ATOM   148  C  CA  . THR A 1 44  ? 1.560  10.742  15.833 1.00 21.38 ?  23  THR A CA  1 
ATOM   149  C  C   . THR A 1 44  ? 2.842  11.206  15.156 1.00 21.66 ?  23  THR A C   1 
ATOM   150  O  O   . THR A 1 44  ? 2.778  11.896  14.128 1.00 22.90 ?  23  THR A O   1 
ATOM   151  C  CB  . THR A 1 44  ? 0.672  11.936  16.228 1.00 30.11 ?  23  THR A CB  1 
ATOM   152  O  OG1 . THR A 1 44  ? 1.391  12.827  17.094 1.00 28.52 ?  23  THR A OG1 1 
ATOM   153  C  CG2 . THR A 1 44  ? -0.575 11.445  16.956 1.00 30.21 ?  23  THR A CG2 1 
ATOM   154  N  N   . TYR A 1 45  ? 4.004  10.795  15.675 1.00 19.54 ?  24  TYR A N   1 
ATOM   155  C  CA  . TYR A 1 45  ? 5.272  11.129  15.031 1.00 17.97 ?  24  TYR A CA  1 
ATOM   156  C  C   . TYR A 1 45  ? 5.388  10.448  13.673 1.00 19.80 ?  24  TYR A C   1 
ATOM   157  O  O   . TYR A 1 45  ? 5.861  11.048  12.700 1.00 17.54 ?  24  TYR A O   1 
ATOM   158  C  CB  . TYR A 1 45  ? 6.439  10.733  15.951 1.00 17.02 ?  24  TYR A CB  1 
ATOM   159  C  CG  . TYR A 1 45  ? 7.796  10.722  15.266 1.00 18.51 ?  24  TYR A CG  1 
ATOM   160  C  CD1 . TYR A 1 45  ? 8.580  11.871  15.216 1.00 15.40 ?  24  TYR A CD1 1 
ATOM   161  C  CD2 . TYR A 1 45  ? 8.314  9.551   14.697 1.00 18.49 ?  24  TYR A CD2 1 
ATOM   162  C  CE1 . TYR A 1 45  ? 9.838  11.871  14.585 1.00 15.84 ?  24  TYR A CE1 1 
ATOM   163  C  CE2 . TYR A 1 45  ? 9.571  9.542   14.077 1.00 13.26 ?  24  TYR A CE2 1 
ATOM   164  C  CZ  . TYR A 1 45  ? 10.316 10.697  14.013 1.00 15.87 ?  24  TYR A CZ  1 
ATOM   165  O  OH  . TYR A 1 45  ? 11.556 10.667  13.405 1.00 15.29 ?  24  TYR A OH  1 
ATOM   166  N  N   . ASP A 1 46  ? 4.946  9.199   13.592 1.00 18.66 ?  25  ASP A N   1 
ATOM   167  C  CA  . ASP A 1 46  ? 5.037  8.384   12.379 1.00 14.98 ?  25  ASP A CA  1 
ATOM   168  C  C   . ASP A 1 46  ? 3.723  7.621   12.299 1.00 18.28 ?  25  ASP A C   1 
ATOM   169  O  O   . ASP A 1 46  ? 3.532  6.649   13.033 1.00 17.86 ?  25  ASP A O   1 
ATOM   170  C  CB  . ASP A 1 46  ? 6.234  7.441   12.462 1.00 16.65 ?  25  ASP A CB  1 
ATOM   171  C  CG  . ASP A 1 46  ? 6.338  6.500   11.265 1.00 19.91 ?  25  ASP A CG  1 
ATOM   172  O  OD1 . ASP A 1 46  ? 5.635  6.709   10.238 1.00 18.14 ?  25  ASP A OD1 1 
ATOM   173  O  OD2 . ASP A 1 46  ? 7.112  5.525   11.393 1.00 16.40 -1 25  ASP A OD2 1 
ATOM   174  N  N   . ALA A 1 47  ? 2.813  8.060   11.432 1.00 19.49 ?  26  ALA A N   1 
ATOM   175  C  CA  . ALA A 1 47  ? 1.504  7.426   11.328 1.00 25.39 ?  26  ALA A CA  1 
ATOM   176  C  C   . ALA A 1 47  ? 1.366  6.572   10.072 1.00 21.60 ?  26  ALA A C   1 
ATOM   177  O  O   . ALA A 1 47  ? 0.242  6.269   9.652  1.00 27.92 ?  26  ALA A O   1 
ATOM   178  C  CB  . ALA A 1 47  ? 0.395  8.479   11.376 1.00 24.52 ?  26  ALA A CB  1 
ATOM   179  N  N   . SER A 1 48  ? 2.478  6.197   9.450  1.00 25.42 ?  27  SER A N   1 
ATOM   180  C  CA  . SER A 1 48  ? 2.452  5.392   8.237  1.00 22.81 ?  27  SER A CA  1 
ATOM   181  C  C   . SER A 1 48  ? 3.203  4.091   8.461  1.00 22.12 ?  27  SER A C   1 
ATOM   182  O  O   . SER A 1 48  ? 4.332  4.097   8.965  1.00 17.74 ?  27  SER A O   1 
ATOM   183  C  CB  . SER A 1 48  ? 3.052  6.149   7.048  1.00 29.81 ?  27  SER A CB  1 
ATOM   184  O  OG  . SER A 1 48  ? 4.205  6.880   7.437  1.00 39.13 ?  27  SER A OG  1 
ATOM   185  N  N   . GLY A 1 49  ? 2.587  2.993   8.050  1.00 24.53 ?  28  GLY A N   1 
ATOM   186  C  CA  . GLY A 1 49  ? 3.117  1.659   8.267  1.00 24.95 ?  28  GLY A CA  1 
ATOM   187  C  C   . GLY A 1 49  ? 2.016  0.685   8.647  1.00 25.96 ?  28  GLY A C   1 
ATOM   188  O  O   . GLY A 1 49  ? 0.973  1.052   9.192  1.00 24.67 ?  28  GLY A O   1 
ATOM   189  N  N   . SER A 1 50  ? 2.246  -0.595  8.351  1.00 23.81 ?  29  SER A N   1 
ATOM   190  C  CA  . SER A 1 50  ? 1.241  -1.617  8.590  1.00 24.28 ?  29  SER A CA  1 
ATOM   191  C  C   . SER A 1 50  ? 1.448  -2.376  9.896  1.00 22.17 ?  29  SER A C   1 
ATOM   192  O  O   . SER A 1 50  ? 0.509  -3.028  10.367 1.00 23.84 ?  29  SER A O   1 
ATOM   193  C  CB  . SER A 1 50  ? 1.215  -2.595  7.401  1.00 27.36 ?  29  SER A CB  1 
ATOM   194  O  OG  . SER A 1 50  ? 0.738  -3.877  7.778  1.00 36.88 ?  29  SER A OG  1 
ATOM   195  N  N   . ALA A 1 51  ? 2.636  -2.301  10.495 1.00 20.97 ?  30  ALA A N   1 
ATOM   196  C  CA  . ALA A 1 51  ? 2.951  -3.006  11.734 1.00 19.56 ?  30  ALA A CA  1 
ATOM   197  C  C   . ALA A 1 51  ? 2.478  -2.194  12.938 1.00 18.62 ?  30  ALA A C   1 
ATOM   198  O  O   . ALA A 1 51  ? 2.148  -1.017  12.815 1.00 18.83 ?  30  ALA A O   1 
ATOM   199  C  CB  . ALA A 1 51  ? 4.455  -3.274  11.799 1.00 16.53 ?  30  ALA A CB  1 
ATOM   200  N  N   . PRO A 1 52  ? 2.407  -2.810  14.127 1.00 18.53 ?  31  PRO A N   1 
ATOM   201  C  CA  . PRO A 1 52  ? 1.827  -2.117  15.286 1.00 17.23 ?  31  PRO A CA  1 
ATOM   202  C  C   . PRO A 1 52  ? 2.477  -0.782  15.613 1.00 18.93 ?  31  PRO A C   1 
ATOM   203  O  O   . PRO A 1 52  ? 3.679  -0.568  15.425 1.00 17.23 ?  31  PRO A O   1 
ATOM   204  C  CB  . PRO A 1 52  ? 2.030  -3.115  16.430 1.00 18.39 ?  31  PRO A CB  1 
ATOM   205  C  CG  . PRO A 1 52  ? 1.960  -4.444  15.751 1.00 18.63 ?  31  PRO A CG  1 
ATOM   206  C  CD  . PRO A 1 52  ? 2.598  -4.246  14.401 1.00 16.60 ?  31  PRO A CD  1 
ATOM   207  N  N   . ASN A 1 53  ? 1.651  0.117   16.135 1.00 15.91 ?  32  ASN A N   1 
ATOM   208  C  CA  . ASN A 1 53  ? 2.164  1.328   16.749 1.00 19.08 ?  32  ASN A CA  1 
ATOM   209  C  C   . ASN A 1 53  ? 2.993  0.965   17.976 1.00 15.86 ?  32  ASN A C   1 
ATOM   210  O  O   . ASN A 1 53  ? 2.531  0.240   18.865 1.00 19.05 ?  32  ASN A O   1 
ATOM   211  C  CB  . ASN A 1 53  ? 1.002  2.248   17.128 1.00 19.62 ?  32  ASN A CB  1 
ATOM   212  C  CG  . ASN A 1 53  ? 1.433  3.688   17.250 1.00 21.71 ?  32  ASN A CG  1 
ATOM   213  O  OD1 . ASN A 1 53  ? 2.344  4.002   18.005 1.00 21.14 ?  32  ASN A OD1 1 
ATOM   214  N  ND2 . ASN A 1 53  ? 0.796  4.574   16.479 1.00 28.34 ?  32  ASN A ND2 1 
ATOM   215  N  N   . LEU A 1 54  ? 4.237  1.436   18.013 1.00 15.29 ?  33  LEU A N   1 
ATOM   216  C  CA  . LEU A 1 54  ? 5.136  1.124   19.118 1.00 17.31 ?  33  LEU A CA  1 
ATOM   217  C  C   . LEU A 1 54  ? 5.010  2.086   20.306 1.00 20.38 ?  33  LEU A C   1 
ATOM   218  O  O   . LEU A 1 54  ? 5.865  2.062   21.198 1.00 17.13 ?  33  LEU A O   1 
ATOM   219  C  CB  . LEU A 1 54  ? 6.584  1.078   18.630 1.00 13.93 ?  33  LEU A CB  1 
ATOM   220  C  CG  . LEU A 1 54  ? 6.865  -0.124  17.720 1.00 17.22 ?  33  LEU A CG  1 
ATOM   221  C  CD1 . LEU A 1 54  ? 8.248  -0.073  17.120 1.00 20.96 ?  33  LEU A CD1 1 
ATOM   222  C  CD2 . LEU A 1 54  ? 6.688  -1.428  18.477 1.00 20.12 ?  33  LEU A CD2 1 
ATOM   223  N  N   . SER A 1 55  ? 3.973  2.922   20.339 1.00 20.47 ?  34  SER A N   1 
ATOM   224  C  CA  . SER A 1 55  ? 3.711  3.741   21.523 1.00 17.27 ?  34  SER A CA  1 
ATOM   225  C  C   . SER A 1 55  ? 3.500  2.845   22.745 1.00 24.47 ?  34  SER A C   1 
ATOM   226  O  O   . SER A 1 55  ? 2.671  1.935   22.717 1.00 26.94 ?  34  SER A O   1 
ATOM   227  C  CB  . SER A 1 55  ? 2.473  4.601   21.287 1.00 18.74 ?  34  SER A CB  1 
ATOM   228  O  OG  . SER A 1 55  ? 2.822  5.818   20.635 1.00 26.81 ?  34  SER A OG  1 
ATOM   229  N  N   . ARG A 1 56  ? 4.250  3.109   23.818 1.00 25.44 ?  35  ARG A N   1 
ATOM   230  C  CA  . ARG A 1 56  ? 4.199  2.346   25.065 1.00 30.03 ?  35  ARG A CA  1 
ATOM   231  C  C   . ARG A 1 56  ? 4.680  0.909   24.905 1.00 29.68 ?  35  ARG A C   1 
ATOM   232  O  O   . ARG A 1 56  ? 4.279  0.044   25.687 1.00 29.42 ?  35  ARG A O   1 
ATOM   233  C  CB  . ARG A 1 56  ? 2.787  2.323   25.671 1.00 27.42 ?  35  ARG A CB  1 
ATOM   234  C  CG  . ARG A 1 56  ? 2.161  3.670   25.891 1.00 25.71 ?  35  ARG A CG  1 
ATOM   235  C  CD  . ARG A 1 56  ? 0.705  3.655   25.436 1.00 34.66 ?  35  ARG A CD  1 
ATOM   236  N  NE  . ARG A 1 56  ? -0.031 2.479   25.888 1.00 40.44 ?  35  ARG A NE  1 
ATOM   237  C  CZ  . ARG A 1 56  ? -1.134 2.024   25.306 1.00 42.94 ?  35  ARG A CZ  1 
ATOM   238  N  NH1 . ARG A 1 56  ? -1.615 2.584   24.205 1.00 35.89 ?  35  ARG A NH1 1 
ATOM   239  N  NH2 . ARG A 1 56  ? -1.764 0.977   25.834 1.00 40.72 ?  35  ARG A NH2 1 
ATOM   240  N  N   . ALA A 1 57  ? 5.525  0.617   23.911 1.00 25.98 ?  36  ALA A N   1 
ATOM   241  C  CA  . ALA A 1 57  ? 5.955  -0.753  23.648 1.00 27.38 ?  36  ALA A CA  1 
ATOM   242  C  C   . ALA A 1 57  ? 7.342  -1.069  24.215 1.00 19.78 ?  36  ALA A C   1 
ATOM   243  O  O   . ALA A 1 57  ? 7.953  -2.064  23.819 1.00 20.82 ?  36  ALA A O   1 
ATOM   244  C  CB  . ALA A 1 57  ? 5.912  -1.044  22.143 1.00 20.96 ?  36  ALA A CB  1 
ATOM   245  N  N   . GLY A 1 58  ? 7.838  -0.268  25.157 1.00 26.23 ?  37  GLY A N   1 
ATOM   246  C  CA  . GLY A 1 58  ? 9.130  -0.566  25.766 1.00 22.91 ?  37  GLY A CA  1 
ATOM   247  C  C   . GLY A 1 58  ? 9.259  -1.999  26.267 1.00 22.78 ?  37  GLY A C   1 
ATOM   248  O  O   . GLY A 1 58  ? 10.256 -2.675  26.008 1.00 19.50 ?  37  GLY A O   1 
ATOM   249  N  N   . THR A 1 59  ? 8.252  -2.498  26.979 1.00 22.79 ?  38  THR A N   1 
ATOM   250  C  CA  . THR A 1 59  ? 8.410  -3.848  27.507 1.00 21.95 ?  38  THR A CA  1 
ATOM   251  C  C   . THR A 1 59  ? 8.310  -4.878  26.394 1.00 23.83 ?  38  THR A C   1 
ATOM   252  O  O   . THR A 1 59  ? 9.027  -5.883  26.413 1.00 21.57 ?  38  THR A O   1 
ATOM   253  C  CB  . THR A 1 59  ? 7.389  -4.143  28.602 1.00 23.37 ?  38  THR A CB  1 
ATOM   254  O  OG1 . THR A 1 59  ? 6.174  -4.605  27.999 1.00 37.29 ?  38  THR A OG1 1 
ATOM   255  C  CG2 . THR A 1 59  ? 7.109  -2.899  29.409 1.00 25.05 ?  38  THR A CG2 1 
ATOM   256  N  N   . LYS A 1 60  ? 7.457  -4.631  25.394 1.00 26.06 ?  39  LYS A N   1 
ATOM   257  C  CA  . LYS A 1 60  ? 7.400  -5.530  24.242 1.00 23.80 ?  39  LYS A CA  1 
ATOM   258  C  C   . LYS A 1 60  ? 8.686  -5.479  23.419 1.00 21.07 ?  39  LYS A C   1 
ATOM   259  O  O   . LYS A 1 60  ? 9.111  -6.501  22.868 1.00 15.28 ?  39  LYS A O   1 
ATOM   260  C  CB  . LYS A 1 60  ? 6.194  -5.193  23.374 1.00 22.67 ?  39  LYS A CB  1 
ATOM   261  C  CG  . LYS A 1 60  ? 4.956  -5.995  23.722 1.00 23.95 ?  39  LYS A CG  1 
ATOM   262  C  CD  . LYS A 1 60  ? 3.727  -5.396  23.070 1.00 33.71 ?  39  LYS A CD  1 
ATOM   263  C  CE  . LYS A 1 60  ? 2.516  -5.487  23.969 1.00 37.87 ?  39  LYS A CE  1 
ATOM   264  N  NZ  . LYS A 1 60  ? 1.785  -4.184  24.029 1.00 42.48 ?  39  LYS A NZ  1 
ATOM   265  N  N   . ILE A 1 61  ? 9.309  -4.302  23.311 1.00 19.88 ?  40  ILE A N   1 
ATOM   266  C  CA  . ILE A 1 61  ? 10.580 -4.192  22.595 1.00 16.23 ?  40  ILE A CA  1 
ATOM   267  C  C   . ILE A 1 61  ? 11.651 -5.037  23.285 1.00 17.83 ?  40  ILE A C   1 
ATOM   268  O  O   . ILE A 1 61  ? 12.381 -5.794  22.637 1.00 15.46 ?  40  ILE A O   1 
ATOM   269  C  CB  . ILE A 1 61  ? 11.008 -2.717  22.487 1.00 19.35 ?  40  ILE A CB  1 
ATOM   270  C  CG1 . ILE A 1 61  ? 10.118 -1.975  21.485 1.00 17.57 ?  40  ILE A CG1 1 
ATOM   271  C  CG2 . ILE A 1 61  ? 12.492 -2.614  22.045 1.00 14.29 ?  40  ILE A CG2 1 
ATOM   272  C  CD1 . ILE A 1 61  ? 10.312 -0.439  21.495 1.00 18.82 ?  40  ILE A CD1 1 
ATOM   273  N  N   . ASP A 1 62  ? 11.743 -4.939  24.620 1.00 13.98 ?  41  ASP A N   1 
ATOM   274  C  CA  . ASP A 1 62  ? 12.774 -5.669  25.357 1.00 14.78 ?  41  ASP A CA  1 
ATOM   275  C  C   . ASP A 1 62  ? 12.501 -7.176  25.377 1.00 14.77 ?  41  ASP A C   1 
ATOM   276  O  O   . ASP A 1 62  ? 13.433 -7.978  25.515 1.00 11.18 ?  41  ASP A O   1 
ATOM   277  C  CB  . ASP A 1 62  ? 12.891 -5.110  26.792 1.00 16.04 ?  41  ASP A CB  1 
ATOM   278  C  CG  . ASP A 1 62  ? 13.702 -3.821  26.853 1.00 15.38 ?  41  ASP A CG  1 
ATOM   279  O  OD1 . ASP A 1 62  ? 14.429 -3.534  25.880 1.00 16.42 ?  41  ASP A OD1 1 
ATOM   280  O  OD2 . ASP A 1 62  ? 13.631 -3.096  27.880 1.00 18.73 -1 41  ASP A OD2 1 
ATOM   281  N  N   . GLY A 1 63  ? 11.238 -7.580  25.231 1.00 16.26 ?  42  GLY A N   1 
ATOM   282  C  CA  . GLY A 1 63  ? 10.945 -8.989  25.041 1.00 15.43 ?  42  GLY A CA  1 
ATOM   283  C  C   . GLY A 1 63  ? 11.176 -9.460  23.622 1.00 17.59 ?  42  GLY A C   1 
ATOM   284  O  O   . GLY A 1 63  ? 11.450 -10.642 23.403 1.00 25.85 ?  42  GLY A O   1 
ATOM   285  N  N   . LYS A 1 64  ? 11.074 -8.551  22.644 1.00 13.95 ?  43  LYS A N   1 
ATOM   286  C  CA  . LYS A 1 64  ? 11.204 -8.913  21.232 1.00 18.49 ?  43  LYS A CA  1 
ATOM   287  C  C   . LYS A 1 64  ? 12.661 -8.982  20.789 1.00 24.13 ?  43  LYS A C   1 
ATOM   288  O  O   . LYS A 1 64  ? 12.990 -9.707  19.835 1.00 24.86 ?  43  LYS A O   1 
ATOM   289  C  CB  . LYS A 1 64  ? 10.431 -7.906  20.367 1.00 18.95 ?  43  LYS A CB  1 
ATOM   290  C  CG  . LYS A 1 64  ? 10.556 -8.090  18.843 1.00 20.49 ?  43  LYS A CG  1 
ATOM   291  C  CD  . LYS A 1 64  ? 9.978  -9.422  18.373 1.00 26.83 ?  43  LYS A CD  1 
ATOM   292  C  CE  . LYS A 1 64  ? 8.454  -9.431  18.382 1.00 27.18 ?  43  LYS A CE  1 
ATOM   293  N  NZ  . LYS A 1 64  ? 7.948  -10.213 17.201 1.00 26.04 ?  43  LYS A NZ  1 
ATOM   294  N  N   . PHE A 1 65  ? 13.539 -8.257  21.469 1.00 17.24 ?  44  PHE A N   1 
ATOM   295  C  CA  . PHE A 1 65  ? 14.930 -8.124  21.072 1.00 14.65 ?  44  PHE A CA  1 
ATOM   296  C  C   . PHE A 1 65  ? 15.853 -8.470  22.218 1.00 16.91 ?  44  PHE A C   1 
ATOM   297  O  O   . PHE A 1 65  ? 15.638 -8.033  23.356 1.00 15.70 ?  44  PHE A O   1 
ATOM   298  C  CB  . PHE A 1 65  ? 15.260 -6.687  20.620 1.00 17.06 ?  44  PHE A CB  1 
ATOM   299  C  CG  . PHE A 1 65  ? 14.787 -6.366  19.239 1.00 15.57 ?  44  PHE A CG  1 
ATOM   300  C  CD1 . PHE A 1 65  ? 15.524 -6.758  18.134 1.00 18.69 ?  44  PHE A CD1 1 
ATOM   301  C  CD2 . PHE A 1 65  ? 13.617 -5.657  19.036 1.00 18.80 ?  44  PHE A CD2 1 
ATOM   302  C  CE1 . PHE A 1 65  ? 15.091 -6.462  16.865 1.00 14.10 ?  44  PHE A CE1 1 
ATOM   303  C  CE2 . PHE A 1 65  ? 13.186 -5.369  17.746 1.00 18.96 ?  44  PHE A CE2 1 
ATOM   304  C  CZ  . PHE A 1 65  ? 13.916 -5.778  16.679 1.00 15.74 ?  44  PHE A CZ  1 
ATOM   305  N  N   . THR A 1 66  ? 16.923 -9.186  21.894 1.00 17.85 ?  45  THR A N   1 
ATOM   306  C  CA  . THR A 1 66  ? 18.026 -9.388  22.816 1.00 20.16 ?  45  THR A CA  1 
ATOM   307  C  C   . THR A 1 66  ? 19.255 -8.670  22.275 1.00 15.63 ?  45  THR A C   1 
ATOM   308  O  O   . THR A 1 66  ? 19.533 -8.732  21.070 1.00 13.60 ?  45  THR A O   1 
ATOM   309  C  CB  . THR A 1 66  ? 18.288 -10.874 23.014 1.00 14.67 ?  45  THR A CB  1 
ATOM   310  O  OG1 . THR A 1 66  ? 17.137 -11.443 23.649 1.00 15.98 ?  45  THR A OG1 1 
ATOM   311  C  CG2 . THR A 1 66  ? 19.505 -11.087 23.890 1.00 14.61 ?  45  THR A CG2 1 
ATOM   312  N  N   . ALA A 1 67  ? 19.948 -7.947  23.157 1.00 17.16 ?  46  ALA A N   1 
ATOM   313  C  CA  . ALA A 1 67  ? 21.108 -7.155  22.749 1.00 17.54 ?  46  ALA A CA  1 
ATOM   314  C  C   . ALA A 1 67  ? 22.146 -8.025  22.044 1.00 17.45 ?  46  ALA A C   1 
ATOM   315  O  O   . ALA A 1 67  ? 22.667 -8.987  22.623 1.00 13.78 ?  46  ALA A O   1 
ATOM   316  C  CB  . ALA A 1 67  ? 21.731 -6.472  23.964 1.00 16.72 ?  46  ALA A CB  1 
ATOM   317  N  N   . GLY A 1 68  ? 22.435 -7.685  20.785 1.00 18.02 ?  47  GLY A N   1 
ATOM   318  C  CA  . GLY A 1 68  ? 23.484 -8.343  20.040 1.00 17.94 ?  47  GLY A CA  1 
ATOM   319  C  C   . GLY A 1 68  ? 23.079 -9.634  19.376 1.00 14.95 ?  47  GLY A C   1 
ATOM   320  O  O   . GLY A 1 68  ? 23.936 -10.316 18.811 1.00 13.58 ?  47  GLY A O   1 
ATOM   321  N  N   . VAL A 1 69  ? 21.805 -9.993  19.431 1.00 14.08 ?  48  VAL A N   1 
ATOM   322  C  CA  . VAL A 1 69  ? 21.313 -11.254 18.898 1.00 18.86 ?  48  VAL A CA  1 
ATOM   323  C  C   . VAL A 1 69  ? 20.432 -10.921 17.718 1.00 16.26 ?  48  VAL A C   1 
ATOM   324  O  O   . VAL A 1 69  ? 19.484 -10.137 17.847 1.00 13.76 ?  48  VAL A O   1 
ATOM   325  C  CB  . VAL A 1 69  ? 20.542 -12.054 19.956 1.00 13.43 ?  48  VAL A CB  1 
ATOM   326  C  CG1 . VAL A 1 69  ? 20.108 -13.415 19.412 1.00 15.42 ?  48  VAL A CG1 1 
ATOM   327  C  CG2 . VAL A 1 69  ? 21.398 -12.211 21.191 1.00 15.16 ?  48  VAL A CG2 1 
ATOM   328  N  N   . SER A 1 70  ? 20.748 -11.503 16.569 1.00 14.08 ?  49  SER A N   1 
ATOM   329  C  CA  . SER A 1 70  ? 20.011 -11.171 15.364 1.00 15.46 ?  49  SER A CA  1 
ATOM   330  C  C   . SER A 1 70  ? 18.618 -11.764 15.496 1.00 17.83 ?  49  SER A C   1 
ATOM   331  O  O   . SER A 1 70  ? 18.460 -12.920 15.903 1.00 15.99 ?  49  SER A O   1 
ATOM   332  C  CB  . SER A 1 70  ? 20.726 -11.725 14.127 1.00 16.57 ?  49  SER A CB  1 
ATOM   333  O  OG  . SER A 1 70  ? 21.929 -11.038 13.857 1.00 19.88 ?  49  SER A OG  1 
ATOM   334  N  N   . GLY A 1 71  ? 17.604 -10.979 15.194 1.00 16.26 ?  50  GLY A N   1 
ATOM   335  C  CA  . GLY A 1 71  ? 16.281 -11.543 15.328 1.00 19.48 ?  50  GLY A CA  1 
ATOM   336  C  C   . GLY A 1 71  ? 15.267 -10.943 14.390 1.00 16.42 ?  50  GLY A C   1 
ATOM   337  O  O   . GLY A 1 71  ? 15.373 -11.061 13.163 1.00 14.76 ?  50  GLY A O   1 
ATOM   338  N  N   . HIS A 1 72  ? 14.285 -10.292 14.994 1.00 17.64 ?  51  HIS A N   1 
ATOM   339  C  CA  . HIS A 1 72  ? 13.108 -9.729  14.352 1.00 14.11 ?  51  HIS A CA  1 
ATOM   340  C  C   . HIS A 1 72  ? 13.448 -8.983  13.064 1.00 14.22 ?  51  HIS A C   1 
ATOM   341  O  O   . HIS A 1 72  ? 14.211 -8.012  13.082 1.00 14.44 ?  51  HIS A O   1 
ATOM   342  C  CB  . HIS A 1 72  ? 12.446 -8.789  15.362 1.00 16.59 ?  51  HIS A CB  1 
ATOM   343  C  CG  . HIS A 1 72  ? 11.136 -8.231  14.913 1.00 14.08 ?  51  HIS A CG  1 
ATOM   344  N  ND1 . HIS A 1 72  ? 10.023 -9.021  14.722 1.00 18.14 ?  51  HIS A ND1 1 
ATOM   345  C  CD2 . HIS A 1 72  ? 10.743 -6.961  14.674 1.00 12.80 ?  51  HIS A CD2 1 
ATOM   346  C  CE1 . HIS A 1 72  ? 9.004  -8.265  14.365 1.00 17.12 ?  51  HIS A CE1 1 
ATOM   347  N  NE2 . HIS A 1 72  ? 9.423  -7.015  14.311 1.00 17.02 ?  51  HIS A NE2 1 
ATOM   348  N  N   . LYS A 1 73  ? 12.894 -9.463  11.938 1.00 13.26 ?  52  LYS A N   1 
ATOM   349  C  CA  . LYS A 1 73  ? 13.064 -8.843  10.616 1.00 12.87 ?  52  LYS A CA  1 
ATOM   350  C  C   . LYS A 1 73  ? 14.535 -8.673  10.254 1.00 10.62 ?  52  LYS A C   1 
ATOM   351  O  O   . LYS A 1 73  ? 14.914 -7.711  9.583  1.00 17.63 ?  52  LYS A O   1 
ATOM   352  C  CB  . LYS A 1 73  ? 12.338 -7.488  10.525 1.00 12.60 ?  52  LYS A CB  1 
ATOM   353  C  CG  . LYS A 1 73  ? 10.838 -7.533  10.815 1.00 13.52 ?  52  LYS A CG  1 
ATOM   354  C  CD  . LYS A 1 73  ? 10.169 -8.685  10.066 1.00 15.12 ?  52  LYS A CD  1 
ATOM   355  C  CE  . LYS A 1 73  ? 8.739  -8.875  10.505 1.00 20.24 ?  52  LYS A CE  1 
ATOM   356  N  NZ  . LYS A 1 73  ? 7.892  -9.328  9.376  1.00 23.59 ?  52  LYS A NZ  1 
ATOM   357  N  N   . GLY A 1 74  ? 15.384 -9.597  10.685 1.00 12.14 ?  53  GLY A N   1 
ATOM   358  C  CA  . GLY A 1 74  ? 16.797 -9.515  10.397 1.00 12.97 ?  53  GLY A CA  1 
ATOM   359  C  C   . GLY A 1 74  ? 17.552 -8.448  11.141 1.00 14.70 ?  53  GLY A C   1 
ATOM   360  O  O   . GLY A 1 74  ? 18.754 -8.282  10.900 1.00 14.82 ?  53  GLY A O   1 
ATOM   361  N  N   . ILE A 1 75  ? 16.910 -7.763  12.075 1.00 17.81 ?  54  ILE A N   1 
ATOM   362  C  CA  . ILE A 1 75  ? 17.533 -6.673  12.816 1.00 17.69 ?  54  ILE A CA  1 
ATOM   363  C  C   . ILE A 1 75  ? 18.368 -7.233  13.958 1.00 17.08 ?  54  ILE A C   1 
ATOM   364  O  O   . ILE A 1 75  ? 17.957 -8.175  14.635 1.00 14.56 ?  54  ILE A O   1 
ATOM   365  C  CB  . ILE A 1 75  ? 16.447 -5.717  13.337 1.00 14.51 ?  54  ILE A CB  1 
ATOM   366  C  CG1 . ILE A 1 75  ? 15.705 -5.047  12.165 1.00 15.30 ?  54  ILE A CG1 1 
ATOM   367  C  CG2 . ILE A 1 75  ? 17.040 -4.673  14.313 1.00 13.94 ?  54  ILE A CG2 1 
ATOM   368  C  CD1 . ILE A 1 75  ? 14.252 -4.660  12.488 1.00 12.09 ?  54  ILE A CD1 1 
ATOM   369  N  N   . THR A 1 76  ? 19.552 -6.655  14.169 1.00 13.71 ?  55  THR A N   1 
ATOM   370  C  CA  . THR A 1 76  ? 20.322 -6.832  15.399 1.00 13.17 ?  55  THR A CA  1 
ATOM   371  C  C   . THR A 1 76  ? 20.514 -5.472  16.062 1.00 18.02 ?  55  THR A C   1 
ATOM   372  O  O   . THR A 1 76  ? 20.904 -4.502  15.394 1.00 13.04 ?  55  THR A O   1 
ATOM   373  C  CB  . THR A 1 76  ? 21.690 -7.462  15.129 1.00 17.55 ?  55  THR A CB  1 
ATOM   374  O  OG1 . THR A 1 76  ? 21.531 -8.644  14.330 1.00 16.49 ?  55  THR A OG1 1 
ATOM   375  C  CG2 . THR A 1 76  ? 22.396 -7.811  16.463 1.00 16.00 ?  55  THR A CG2 1 
ATOM   376  N  N   . LEU A 1 77  ? 20.247 -5.406  17.375 1.00 16.03 ?  56  LEU A N   1 
ATOM   377  C  CA  . LEU A 1 77  ? 20.331 -4.168  18.146 1.00 15.90 ?  56  LEU A CA  1 
ATOM   378  C  C   . LEU A 1 77  ? 21.359 -4.339  19.260 1.00 17.20 ?  56  LEU A C   1 
ATOM   379  O  O   . LEU A 1 77  ? 21.360 -5.368  19.955 1.00 16.17 ?  56  LEU A O   1 
ATOM   380  C  CB  . LEU A 1 77  ? 18.968 -3.791  18.750 1.00 12.26 ?  56  LEU A CB  1 
ATOM   381  C  CG  . LEU A 1 77  ? 17.789 -3.507  17.825 1.00 14.17 ?  56  LEU A CG  1 
ATOM   382  C  CD1 . LEU A 1 77  ? 16.601 -2.936  18.594 1.00 13.72 ?  56  LEU A CD1 1 
ATOM   383  C  CD2 . LEU A 1 77  ? 18.214 -2.568  16.693 1.00 11.66 ?  56  LEU A CD2 1 
ATOM   384  N  N   . THR A 1 78  ? 22.230 -3.341  19.430 1.00 14.92 ?  57  THR A N   1 
ATOM   385  C  CA  . THR A 1 78  ? 23.114 -3.348  20.584 1.00 14.47 ?  57  THR A CA  1 
ATOM   386  C  C   . THR A 1 78  ? 22.337 -2.934  21.826 1.00 16.44 ?  57  THR A C   1 
ATOM   387  O  O   . THR A 1 78  ? 21.205 -2.437  21.756 1.00 14.17 ?  57  THR A O   1 
ATOM   388  C  CB  . THR A 1 78  ? 24.293 -2.387  20.410 1.00 19.19 ?  57  THR A CB  1 
ATOM   389  O  OG1 . THR A 1 78  ? 23.813 -1.028  20.362 1.00 16.07 ?  57  THR A OG1 1 
ATOM   390  C  CG2 . THR A 1 78  ? 25.068 -2.718  19.140 1.00 20.17 ?  57  THR A CG2 1 
ATOM   391  N  N   . ALA A 1 79  ? 22.968 -3.157  22.980 1.00 12.34 ?  58  ALA A N   1 
ATOM   392  C  CA  . ALA A 1 79  ? 22.360 -2.713  24.221 1.00 16.47 ?  58  ALA A CA  1 
ATOM   393  C  C   . ALA A 1 79  ? 22.130 -1.215  24.173 1.00 16.40 ?  58  ALA A C   1 
ATOM   394  O  O   . ALA A 1 79  ? 21.058 -0.730  24.556 1.00 15.17 ?  58  ALA A O   1 
ATOM   395  C  CB  . ALA A 1 79  ? 23.244 -3.089  25.406 1.00 13.68 ?  58  ALA A CB  1 
ATOM   396  N  N   . ALA A 1 80  ? 23.107 -0.469  23.655 1.00 5.74  ?  59  ALA A N   1 
ATOM   397  C  CA  . ALA A 1 80  ? 22.918 0.978   23.630 1.00 16.86 ?  59  ALA A CA  1 
ATOM   398  C  C   . ALA A 1 80  ? 21.772 1.353   22.699 1.00 12.96 ?  59  ALA A C   1 
ATOM   399  O  O   . ALA A 1 80  ? 20.983 2.250   23.008 1.00 12.42 ?  59  ALA A O   1 
ATOM   400  C  CB  . ALA A 1 80  ? 24.217 1.683   23.235 1.00 16.51 ?  59  ALA A CB  1 
ATOM   401  N  N   . ASP A 1 81  ? 21.664 0.672   21.561 1.00 12.71 ?  60  ASP A N   1 
ATOM   402  C  CA  . ASP A 1 81  ? 20.539 0.868   20.651 1.00 14.69 ?  60  ASP A CA  1 
ATOM   403  C  C   . ASP A 1 81  ? 19.206 0.699   21.364 1.00 13.42 ?  60  ASP A C   1 
ATOM   404  O  O   . ASP A 1 81  ? 18.260 1.467   21.143 1.00 13.35 ?  60  ASP A O   1 
ATOM   405  C  CB  . ASP A 1 81  ? 20.606 -0.156  19.524 1.00 13.83 ?  60  ASP A CB  1 
ATOM   406  C  CG  . ASP A 1 81  ? 21.674 0.145   18.514 1.00 17.52 ?  60  ASP A CG  1 
ATOM   407  O  OD1 . ASP A 1 81  ? 22.092 1.309   18.400 1.00 16.14 ?  60  ASP A OD1 1 
ATOM   408  O  OD2 . ASP A 1 81  ? 22.042 -0.786  17.760 1.00 19.17 -1 60  ASP A OD2 1 
ATOM   409  N  N   . LEU A 1 82  ? 19.089 -0.375  22.153 1.00 11.05 ?  61  LEU A N   1 
ATOM   410  C  CA  . LEU A 1 82  ? 17.812 -0.717  22.767 1.00 14.35 ?  61  LEU A CA  1 
ATOM   411  C  C   . LEU A 1 82  ? 17.417 0.318   23.803 1.00 10.93 ?  61  LEU A C   1 
ATOM   412  O  O   . LEU A 1 82  ? 16.249 0.707   23.886 1.00 11.51 ?  61  LEU A O   1 
ATOM   413  C  CB  . LEU A 1 82  ? 17.883 -2.103  23.413 1.00 12.68 ?  61  LEU A CB  1 
ATOM   414  C  CG  . LEU A 1 82  ? 17.746 -3.234  22.402 1.00 13.17 ?  61  LEU A CG  1 
ATOM   415  C  CD1 . LEU A 1 82  ? 18.434 -4.500  22.894 1.00 17.44 ?  61  LEU A CD1 1 
ATOM   416  C  CD2 . LEU A 1 82  ? 16.267 -3.422  22.121 1.00 13.65 ?  61  LEU A CD2 1 
ATOM   417  N  N   . ALA A 1 83  ? 18.387 0.785   24.578 1.00 13.42 ?  62  ALA A N   1 
ATOM   418  C  CA  . ALA A 1 83  ? 18.119 1.823   25.576 1.00 11.52 ?  62  ALA A CA  1 
ATOM   419  C  C   . ALA A 1 83  ? 17.748 3.135   24.898 1.00 13.89 ?  62  ALA A C   1 
ATOM   420  O  O   . ALA A 1 83  ? 16.736 3.763   25.240 1.00 15.53 ?  62  ALA A O   1 
ATOM   421  C  CB  . ALA A 1 83  ? 19.344 2.005   26.467 1.00 9.69  ?  62  ALA A CB  1 
ATOM   422  N  N   . ASN A 1 84  ? 18.550 3.550   23.908 1.00 13.97 ?  63  ASN A N   1 
ATOM   423  C  CA  . ASN A 1 84  ? 18.290 4.806   23.209 1.00 13.17 ?  63  ASN A CA  1 
ATOM   424  C  C   . ASN A 1 84  ? 16.922 4.778   22.528 1.00 13.36 ?  63  ASN A C   1 
ATOM   425  O  O   . ASN A 1 84  ? 16.142 5.729   22.633 1.00 12.81 ?  63  ASN A O   1 
ATOM   426  C  CB  . ASN A 1 84  ? 19.409 5.076   22.193 1.00 13.80 ?  63  ASN A CB  1 
ATOM   427  C  CG  . ASN A 1 84  ? 20.747 5.380   22.865 1.00 12.92 ?  63  ASN A CG  1 
ATOM   428  O  OD1 . ASN A 1 84  ? 20.784 5.977   23.932 1.00 16.49 ?  63  ASN A OD1 1 
ATOM   429  N  ND2 . ASN A 1 84  ? 21.841 4.998   22.226 1.00 15.11 ?  63  ASN A ND2 1 
ATOM   430  N  N   . LEU A 1 85  ? 16.598 3.680   21.843 1.00 13.64 ?  64  LEU A N   1 
ATOM   431  C  CA  . LEU A 1 85  ? 15.318 3.616   21.142 1.00 13.09 ?  64  LEU A CA  1 
ATOM   432  C  C   . LEU A 1 85  ? 14.145 3.748   22.113 1.00 11.81 ?  64  LEU A C   1 
ATOM   433  O  O   . LEU A 1 85  ? 13.197 4.500   21.864 1.00 13.47 ?  64  LEU A O   1 
ATOM   434  C  CB  . LEU A 1 85  ? 15.225 2.314   20.340 1.00 15.42 ?  64  LEU A CB  1 
ATOM   435  C  CG  . LEU A 1 85  ? 13.844 1.836   19.895 1.00 15.08 ?  64  LEU A CG  1 
ATOM   436  C  CD1 . LEU A 1 85  ? 13.361 2.780   18.841 1.00 12.89 ?  64  LEU A CD1 1 
ATOM   437  C  CD2 . LEU A 1 85  ? 13.911 0.404   19.324 1.00 15.05 ?  64  LEU A CD2 1 
ATOM   438  N  N   . LYS A 1 86  ? 14.181 3.010   23.230 1.00 12.22 ?  65  LYS A N   1 
ATOM   439  C  CA  . LYS A 1 86  ? 13.125 3.155   24.227 1.00 14.04 ?  65  LYS A CA  1 
ATOM   440  C  C   . LYS A 1 86  ? 13.021 4.589   24.752 1.00 12.21 ?  65  LYS A C   1 
ATOM   441  O  O   . LYS A 1 86  ? 11.915 5.104   24.937 1.00 12.91 ?  65  LYS A O   1 
ATOM   442  C  CB  . LYS A 1 86  ? 13.341 2.179   25.388 1.00 10.92 ?  65  LYS A CB  1 
ATOM   443  C  CG  . LYS A 1 86  ? 13.074 0.708   24.994 1.00 11.43 ?  65  LYS A CG  1 
ATOM   444  C  CD  . LYS A 1 86  ? 12.884 -0.153  26.268 1.00 12.66 ?  65  LYS A CD  1 
ATOM   445  C  CE  . LYS A 1 86  ? 14.146 -0.200  27.107 1.00 12.65 ?  65  LYS A CE  1 
ATOM   446  N  NZ  . LYS A 1 86  ? 15.252 -0.880  26.372 1.00 14.13 ?  65  LYS A NZ  1 
ATOM   447  N  N   . THR A 1 87  ? 14.149 5.240   25.030 1.00 11.06 ?  66  THR A N   1 
ATOM   448  C  CA  . THR A 1 87  ? 14.062 6.639   25.469 1.00 15.58 ?  66  THR A CA  1 
ATOM   449  C  C   . THR A 1 87  ? 13.397 7.499   24.402 1.00 13.80 ?  66  THR A C   1 
ATOM   450  O  O   . THR A 1 87  ? 12.575 8.373   24.713 1.00 15.14 ?  66  THR A O   1 
ATOM   451  C  CB  . THR A 1 87  ? 15.454 7.179   25.833 1.00 18.52 ?  66  THR A CB  1 
ATOM   452  O  OG1 . THR A 1 87  ? 15.989 6.409   26.917 1.00 22.09 ?  66  THR A OG1 1 
ATOM   453  C  CG2 . THR A 1 87  ? 15.382 8.611   26.285 1.00 26.15 ?  66  THR A CG2 1 
ATOM   454  N  N   . PHE A 1 88  ? 13.711 7.242   23.128 1.00 11.33 ?  67  PHE A N   1 
ATOM   455  C  CA  . PHE A 1 88  ? 13.048 7.968   22.042 1.00 13.60 ?  67  PHE A CA  1 
ATOM   456  C  C   . PHE A 1 88  ? 11.559 7.660   21.985 1.00 15.62 ?  67  PHE A C   1 
ATOM   457  O  O   . PHE A 1 88  ? 10.737 8.571   21.808 1.00 13.80 ?  67  PHE A O   1 
ATOM   458  C  CB  . PHE A 1 88  ? 13.690 7.636   20.699 1.00 14.00 ?  67  PHE A CB  1 
ATOM   459  C  CG  . PHE A 1 88  ? 13.016 8.314   19.531 1.00 15.46 ?  67  PHE A CG  1 
ATOM   460  C  CD1 . PHE A 1 88  ? 13.093 9.695   19.364 1.00 15.47 ?  67  PHE A CD1 1 
ATOM   461  C  CD2 . PHE A 1 88  ? 12.273 7.582   18.636 1.00 13.70 ?  67  PHE A CD2 1 
ATOM   462  C  CE1 . PHE A 1 88  ? 12.454 10.317  18.306 1.00 14.49 ?  67  PHE A CE1 1 
ATOM   463  C  CE2 . PHE A 1 88  ? 11.637 8.200   17.549 1.00 15.94 ?  67  PHE A CE2 1 
ATOM   464  C  CZ  . PHE A 1 88  ? 11.719 9.570   17.396 1.00 14.18 ?  67  PHE A CZ  1 
ATOM   465  N  N   . VAL A 1 89  ? 11.193 6.379   22.126 1.00 14.81 ?  68  VAL A N   1 
ATOM   466  C  CA  . VAL A 1 89  ? 9.785  6.005   22.083 1.00 11.66 ?  68  VAL A CA  1 
ATOM   467  C  C   . VAL A 1 89  ? 9.030  6.663   23.234 1.00 17.02 ?  68  VAL A C   1 
ATOM   468  O  O   . VAL A 1 89  ? 7.892  7.115   23.071 1.00 19.81 ?  68  VAL A O   1 
ATOM   469  C  CB  . VAL A 1 89  ? 9.648  4.474   22.103 1.00 15.22 ?  68  VAL A CB  1 
ATOM   470  C  CG1 . VAL A 1 89  ? 8.255  4.051   22.608 1.00 13.96 ?  68  VAL A CG1 1 
ATOM   471  C  CG2 . VAL A 1 89  ? 9.977  3.891   20.703 1.00 12.88 ?  68  VAL A CG2 1 
ATOM   472  N  N   . ASN A 1 90  ? 9.665  6.769   24.399 1.00 15.11 ?  69  ASN A N   1 
ATOM   473  C  CA  . ASN A 1 90  ? 8.996  7.375   25.548 1.00 16.66 ?  69  ASN A CA  1 
ATOM   474  C  C   . ASN A 1 90  ? 8.806  8.878   25.359 1.00 17.02 ?  69  ASN A C   1 
ATOM   475  O  O   . ASN A 1 90  ? 7.782  9.439   25.767 1.00 17.56 ?  69  ASN A O   1 
ATOM   476  C  CB  . ASN A 1 90  ? 9.784  7.091   26.826 1.00 14.96 ?  69  ASN A CB  1 
ATOM   477  C  CG  . ASN A 1 90  ? 9.773  5.628   27.188 1.00 20.53 ?  69  ASN A CG  1 
ATOM   478  O  OD1 . ASN A 1 90  ? 8.802  4.944   26.906 1.00 19.30 ?  69  ASN A OD1 1 
ATOM   479  N  ND2 . ASN A 1 90  ? 10.836 5.148   27.842 1.00 18.52 ?  69  ASN A ND2 1 
ATOM   480  N  N   . ALA A 1 91  ? 9.774  9.546   24.745 1.00 14.57 ?  70  ALA A N   1 
ATOM   481  C  CA  . ALA A 1 91  ? 9.735  10.999  24.636 1.00 16.40 ?  70  ALA A CA  1 
ATOM   482  C  C   . ALA A 1 91  ? 8.976  11.512  23.420 1.00 21.03 ?  70  ALA A C   1 
ATOM   483  O  O   . ALA A 1 91  ? 8.612  12.695  23.391 1.00 19.06 ?  70  ALA A O   1 
ATOM   484  C  CB  . ALA A 1 91  ? 11.158 11.556  24.595 1.00 15.07 ?  70  ALA A CB  1 
ATOM   485  N  N   . ASN A 1 92  ? 8.740  10.676  22.404 1.00 19.16 ?  71  ASN A N   1 
ATOM   486  C  CA  . ASN A 1 92  ? 8.107  11.169  21.184 1.00 23.31 ?  71  ASN A CA  1 
ATOM   487  C  C   . ASN A 1 92  ? 6.908  10.349  20.729 1.00 21.30 ?  71  ASN A C   1 
ATOM   488  O  O   . ASN A 1 92  ? 6.307  10.683  19.700 1.00 21.54 ?  71  ASN A O   1 
ATOM   489  C  CB  . ASN A 1 92  ? 9.141  11.264  20.064 1.00 16.39 ?  71  ASN A CB  1 
ATOM   490  C  CG  . ASN A 1 92  ? 10.128 12.400  20.299 1.00 20.08 ?  71  ASN A CG  1 
ATOM   491  O  OD1 . ASN A 1 92  ? 11.287 12.186  20.670 1.00 20.63 ?  71  ASN A OD1 1 
ATOM   492  N  ND2 . ASN A 1 92  ? 9.651  13.619  20.125 1.00 16.34 ?  71  ASN A ND2 1 
ATOM   493  N  N   . GLY A 1 93  ? 6.521  9.324   21.480 1.00 17.12 ?  72  GLY A N   1 
ATOM   494  C  CA  . GLY A 1 93  ? 5.421  8.463   21.096 1.00 19.25 ?  72  GLY A CA  1 
ATOM   495  C  C   . GLY A 1 93  ? 4.161  8.565   21.934 1.00 23.97 ?  72  GLY A C   1 
ATOM   496  O  O   . GLY A 1 93  ? 3.260  7.731   21.802 1.00 25.76 ?  72  GLY A O   1 
ATOM   497  N  N   . SER A 1 97  ? 2.425  14.996  18.452 1.00 24.87 ?  76  SER A N   1 
ATOM   498  C  CA  . SER A 1 97  ? 3.622  15.180  17.642 1.00 25.16 ?  76  SER A CA  1 
ATOM   499  C  C   . SER A 1 97  ? 3.296  15.906  16.336 1.00 23.19 ?  76  SER A C   1 
ATOM   500  O  O   . SER A 1 97  ? 2.683  15.324  15.452 1.00 22.17 ?  76  SER A O   1 
ATOM   501  C  CB  . SER A 1 97  ? 4.265  13.824  17.335 1.00 23.55 ?  76  SER A CB  1 
ATOM   502  O  OG  . SER A 1 97  ? 5.665  13.934  17.172 1.00 28.66 ?  76  SER A OG  1 
ATOM   503  N  N   . HIS A 1 98  ? 3.693  17.174  16.216 1.00 24.06 ?  77  HIS A N   1 
ATOM   504  C  CA  . HIS A 1 98  ? 3.532  17.897  14.955 1.00 21.48 ?  77  HIS A CA  1 
ATOM   505  C  C   . HIS A 1 98  ? 4.563  19.009  14.900 1.00 21.77 ?  77  HIS A C   1 
ATOM   506  O  O   . HIS A 1 98  ? 4.900  19.591  15.940 1.00 17.04 ?  77  HIS A O   1 
ATOM   507  C  CB  . HIS A 1 98  ? 2.109  18.471  14.794 1.00 21.56 ?  77  HIS A CB  1 
ATOM   508  C  CG  . HIS A 1 98  ? 1.911  19.268  13.537 1.00 25.37 ?  77  HIS A CG  1 
ATOM   509  N  ND1 . HIS A 1 98  ? 1.329  18.744  12.402 1.00 27.75 ?  77  HIS A ND1 1 
ATOM   510  C  CD2 . HIS A 1 98  ? 2.204  20.557  13.244 1.00 23.44 ?  77  HIS A CD2 1 
ATOM   511  C  CE1 . HIS A 1 98  ? 1.283  19.670  11.461 1.00 27.06 ?  77  HIS A CE1 1 
ATOM   512  N  NE2 . HIS A 1 98  ? 1.810  20.781  11.945 1.00 29.40 ?  77  HIS A NE2 1 
ATOM   513  N  N   . PRO A 1 99  ? 5.079  19.334  13.707 1.00 18.79 ?  78  PRO A N   1 
ATOM   514  C  CA  . PRO A 1 99  ? 6.141  20.353  13.597 1.00 18.97 ?  78  PRO A CA  1 
ATOM   515  C  C   . PRO A 1 99  ? 5.756  21.731  14.113 1.00 17.94 ?  78  PRO A C   1 
ATOM   516  O  O   . PRO A 1 99  ? 6.645  22.562  14.326 1.00 16.83 ?  78  PRO A O   1 
ATOM   517  C  CB  . PRO A 1 99  ? 6.431  20.417  12.086 1.00 20.33 ?  78  PRO A CB  1 
ATOM   518  C  CG  . PRO A 1 99  ? 5.509  19.431  11.422 1.00 20.72 ?  78  PRO A CG  1 
ATOM   519  C  CD  . PRO A 1 99  ? 4.928  18.545  12.465 1.00 17.91 ?  78  PRO A CD  1 
ATOM   520  N  N   . GLN A 1 100 ? 4.476  21.992  14.272 1.00 18.53 ?  79  GLN A N   1 
ATOM   521  C  CA  . GLN A 1 100 ? 4.003  23.310  14.670 1.00 23.15 ?  79  GLN A CA  1 
ATOM   522  C  C   . GLN A 1 100 ? 3.397  23.341  16.087 1.00 25.60 ?  79  GLN A C   1 
ATOM   523  O  O   . GLN A 1 100 ? 2.870  24.351  16.502 1.00 26.41 ?  79  GLN A O   1 
ATOM   524  C  CB  . GLN A 1 100 ? 3.009  23.818  13.646 1.00 23.96 ?  79  GLN A CB  1 
ATOM   525  C  CG  . GLN A 1 100 ? 3.673  24.246  12.359 1.00 28.21 ?  79  GLN A CG  1 
ATOM   526  C  CD  . GLN A 1 100 ? 2.675  24.559  11.281 1.00 31.60 ?  79  GLN A CD  1 
ATOM   527  O  OE1 . GLN A 1 100 ? 2.125  23.660  10.665 1.00 34.97 ?  79  GLN A OE1 1 
ATOM   528  N  NE2 . GLN A 1 100 ? 2.439  25.838  11.046 1.00 32.38 ?  79  GLN A NE2 1 
ATOM   529  N  N   . PHE A 1 101 ? 3.466  22.230  16.789 1.00 22.65 ?  80  PHE A N   1 
ATOM   530  C  CA  . PHE A 1 101 ? 2.922  22.161  18.120 1.00 29.11 ?  80  PHE A CA  1 
ATOM   531  C  C   . PHE A 1 101 ? 3.966  22.399  19.221 1.00 32.77 ?  80  PHE A C   1 
ATOM   532  O  O   . PHE A 1 101 ? 3.767  23.235  20.069 1.00 32.91 ?  80  PHE A O   1 
ATOM   533  N  N   . GLY B 1 24  ? 12.548 -14.304 4.098  1.00 26.07 ?  3   GLY C N   1 
ATOM   534  C  CA  . GLY B 1 24  ? 13.721 -14.608 4.884  1.00 20.36 ?  3   GLY C CA  1 
ATOM   535  C  C   . GLY B 1 24  ? 15.002 -14.769 4.088  1.00 22.86 ?  3   GLY C C   1 
ATOM   536  O  O   . GLY B 1 24  ? 15.369 -13.911 3.280  1.00 19.96 ?  3   GLY C O   1 
ATOM   537  N  N   . VAL B 1 25  ? 15.670 -15.902 4.308  1.00 19.50 ?  4   VAL C N   1 
ATOM   538  C  CA  . VAL B 1 25  ? 17.046 -16.065 3.855  1.00 21.84 ?  4   VAL C CA  1 
ATOM   539  C  C   . VAL B 1 25  ? 17.101 -16.268 2.341  1.00 21.74 ?  4   VAL C C   1 
ATOM   540  O  O   . VAL B 1 25  ? 17.981 -15.731 1.659  1.00 20.57 ?  4   VAL C O   1 
ATOM   541  C  CB  . VAL B 1 25  ? 17.695 -17.221 4.634  1.00 17.77 ?  4   VAL C CB  1 
ATOM   542  C  CG1 . VAL B 1 25  ? 19.015 -17.608 4.026  1.00 21.51 ?  4   VAL C CG1 1 
ATOM   543  C  CG2 . VAL B 1 25  ? 17.862 -16.821 6.113  1.00 22.88 ?  4   VAL C CG2 1 
ATOM   544  N  N   . ASP B 1 26  ? 16.149 -17.012 1.779  1.00 19.71 ?  5   ASP C N   1 
ATOM   545  C  CA  . ASP B 1 26  ? 16.209 -17.257 0.340  1.00 20.81 ?  5   ASP C CA  1 
ATOM   546  C  C   . ASP B 1 26  ? 15.898 -16.006 -0.476 1.00 21.98 ?  5   ASP C C   1 
ATOM   547  O  O   . ASP B 1 26  ? 16.693 -15.669 -1.374 1.00 20.14 ?  5   ASP C O   1 
ATOM   548  C  CB  . ASP B 1 26  ? 15.309 -18.435 -0.037 1.00 23.43 ?  5   ASP C CB  1 
ATOM   549  C  CG  . ASP B 1 26  ? 15.815 -19.755 0.519  1.00 30.81 ?  5   ASP C CG  1 
ATOM   550  O  OD1 . ASP B 1 26  ? 17.055 -19.975 0.500  1.00 29.46 -1 5   ASP C OD1 1 
ATOM   551  O  OD2 . ASP B 1 26  ? 14.971 -20.581 0.944  1.00 32.39 ?  5   ASP C OD2 1 
ATOM   552  N  N   . PRO B 1 27  ? 14.797 -15.273 -0.237 1.00 21.08 ?  6   PRO C N   1 
ATOM   553  C  CA  . PRO B 1 27  ? 14.623 -13.997 -0.956 1.00 21.87 ?  6   PRO C CA  1 
ATOM   554  C  C   . PRO B 1 27  ? 15.703 -12.985 -0.630 1.00 17.87 ?  6   PRO C C   1 
ATOM   555  O  O   . PRO B 1 27  ? 16.065 -12.174 -1.493 1.00 18.29 ?  6   PRO C O   1 
ATOM   556  C  CB  . PRO B 1 27  ? 13.239 -13.500 -0.512 1.00 21.62 ?  6   PRO C CB  1 
ATOM   557  C  CG  . PRO B 1 27  ? 12.770 -14.411 0.551  1.00 22.80 ?  6   PRO C CG  1 
ATOM   558  C  CD  . PRO B 1 27  ? 13.647 -15.605 0.630  1.00 24.82 ?  6   PRO C CD  1 
ATOM   559  N  N   . GLY B 1 28  ? 16.219 -12.988 0.600  1.00 16.81 ?  7   GLY C N   1 
ATOM   560  C  CA  . GLY B 1 28  ? 17.349 -12.128 0.902  1.00 16.71 ?  7   GLY C CA  1 
ATOM   561  C  C   . GLY B 1 28  ? 18.551 -12.449 0.033  1.00 15.39 ?  7   GLY C C   1 
ATOM   562  O  O   . GLY B 1 28  ? 19.266 -11.551 -0.408 1.00 16.13 ?  7   GLY C O   1 
ATOM   563  N  N   . LYS B 1 29  ? 18.783 -13.741 -0.230 1.00 14.08 ?  8   LYS C N   1 
ATOM   564  C  CA  . LYS B 1 29  ? 19.874 -14.118 -1.118 1.00 13.26 ?  8   LYS C CA  1 
ATOM   565  C  C   . LYS B 1 29  ? 19.671 -13.554 -2.517 1.00 14.52 ?  8   LYS C C   1 
ATOM   566  O  O   . LYS B 1 29  ? 20.626 -13.088 -3.142 1.00 13.05 ?  8   LYS C O   1 
ATOM   567  C  CB  . LYS B 1 29  ? 20.019 -15.641 -1.166 1.00 15.45 ?  8   LYS C CB  1 
ATOM   568  C  CG  . LYS B 1 29  ? 21.114 -16.124 -2.094 1.00 17.63 ?  8   LYS C CG  1 
ATOM   569  C  CD  . LYS B 1 29  ? 20.999 -17.618 -2.299 1.00 16.09 ?  8   LYS C CD  1 
ATOM   570  C  CE  . LYS B 1 29  ? 22.260 -18.168 -2.910 1.00 18.34 ?  8   LYS C CE  1 
ATOM   571  N  NZ  . LYS B 1 29  ? 22.368 -17.705 -4.351 1.00 22.26 ?  8   LYS C NZ  1 
ATOM   572  N  N   . THR B 1 30  ? 18.435 -13.583 -3.023 1.00 14.51 ?  9   THR C N   1 
ATOM   573  C  CA  . THR B 1 30  ? 18.172 -12.994 -4.330 1.00 15.88 ?  9   THR C CA  1 
ATOM   574  C  C   . THR B 1 30  ? 18.434 -11.497 -4.322 1.00 14.84 ?  9   THR C C   1 
ATOM   575  O  O   . THR B 1 30  ? 18.973 -10.948 -5.295 1.00 12.96 ?  9   THR C O   1 
ATOM   576  C  CB  . THR B 1 30  ? 16.740 -13.288 -4.782 1.00 20.21 ?  9   THR C CB  1 
ATOM   577  O  OG1 . THR B 1 30  ? 16.485 -14.700 -4.712 1.00 19.16 ?  9   THR C OG1 1 
ATOM   578  C  CG2 . THR B 1 30  ? 16.521 -12.789 -6.210 1.00 21.99 ?  9   THR C CG2 1 
ATOM   579  N  N   . VAL B 1 31  ? 18.081 -10.816 -3.228 1.00 13.51 ?  10  VAL C N   1 
ATOM   580  C  CA  . VAL B 1 31  ? 18.375 -9.385  -3.129 1.00 13.41 ?  10  VAL C CA  1 
ATOM   581  C  C   . VAL B 1 31  ? 19.877 -9.147  -3.224 1.00 12.49 ?  10  VAL C C   1 
ATOM   582  O  O   . VAL B 1 31  ? 20.348 -8.328  -4.025 1.00 12.57 ?  10  VAL C O   1 
ATOM   583  C  CB  . VAL B 1 31  ? 17.797 -8.800  -1.826 1.00 11.53 ?  10  VAL C CB  1 
ATOM   584  C  CG1 . VAL B 1 31  ? 18.324 -7.374  -1.629 1.00 11.48 ?  10  VAL C CG1 1 
ATOM   585  C  CG2 . VAL B 1 31  ? 16.271 -8.765  -1.879 1.00 10.93 ?  10  VAL C CG2 1 
ATOM   586  N  N   . TYR B 1 32  ? 20.651 -9.869  -2.416 1.00 10.95 ?  11  TYR C N   1 
ATOM   587  C  CA  . TYR B 1 32  ? 22.094 -9.667  -2.397 1.00 12.24 ?  11  TYR C CA  1 
ATOM   588  C  C   . TYR B 1 32  ? 22.681 -9.949  -3.762 1.00 15.46 ?  11  TYR C C   1 
ATOM   589  O  O   . TYR B 1 32  ? 23.474 -9.162  -4.295 1.00 13.91 ?  11  TYR C O   1 
ATOM   590  C  CB  . TYR B 1 32  ? 22.771 -10.583 -1.377 1.00 11.84 ?  11  TYR C CB  1 
ATOM   591  C  CG  . TYR B 1 32  ? 24.271 -10.383 -1.416 1.00 14.97 ?  11  TYR C CG  1 
ATOM   592  C  CD1 . TYR B 1 32  ? 24.860 -9.265  -0.828 1.00 13.86 ?  11  TYR C CD1 1 
ATOM   593  C  CD2 . TYR B 1 32  ? 25.086 -11.246 -2.127 1.00 15.92 ?  11  TYR C CD2 1 
ATOM   594  C  CE1 . TYR B 1 32  ? 26.237 -9.055  -0.900 1.00 14.26 ?  11  TYR C CE1 1 
ATOM   595  C  CE2 . TYR B 1 32  ? 26.449 -11.041 -2.207 1.00 15.50 ?  11  TYR C CE2 1 
ATOM   596  C  CZ  . TYR B 1 32  ? 27.016 -9.942  -1.611 1.00 14.80 ?  11  TYR C CZ  1 
ATOM   597  O  OH  . TYR B 1 32  ? 28.381 -9.768  -1.713 1.00 16.69 ?  11  TYR C OH  1 
ATOM   598  N  N   . ASP B 1 33  ? 22.301 -11.093 -4.324 1.00 11.42 ?  12  ASP C N   1 
ATOM   599  C  CA  . ASP B 1 33  ? 22.903 -11.595 -5.549 1.00 15.57 ?  12  ASP C CA  1 
ATOM   600  C  C   . ASP B 1 33  ? 22.703 -10.625 -6.700 1.00 16.04 ?  12  ASP C C   1 
ATOM   601  O  O   . ASP B 1 33  ? 23.652 -10.296 -7.418 1.00 12.44 ?  12  ASP C O   1 
ATOM   602  C  CB  . ASP B 1 33  ? 22.282 -12.940 -5.904 1.00 18.95 ?  12  ASP C CB  1 
ATOM   603  C  CG  . ASP B 1 33  ? 22.929 -14.098 -5.177 1.00 17.11 ?  12  ASP C CG  1 
ATOM   604  O  OD1 . ASP B 1 33  ? 23.967 -13.913 -4.495 1.00 15.19 ?  12  ASP C OD1 1 
ATOM   605  O  OD2 . ASP B 1 33  ? 22.423 -15.216 -5.355 1.00 20.80 -1 12  ASP C OD2 1 
ATOM   606  N  N   . SER B 1 34  ? 21.467 -10.170 -6.902 1.00 15.78 ?  13  SER C N   1 
ATOM   607  C  CA  . SER B 1 34  ? 21.164 -9.397  -8.098 1.00 13.24 ?  13  SER C CA  1 
ATOM   608  C  C   . SER B 1 34  ? 21.478 -7.916  -7.938 1.00 16.37 ?  13  SER C C   1 
ATOM   609  O  O   . SER B 1 34  ? 21.592 -7.206  -8.945 1.00 16.83 ?  13  SER C O   1 
ATOM   610  C  CB  . SER B 1 34  ? 19.686 -9.529  -8.463 1.00 18.22 ?  13  SER C CB  1 
ATOM   611  O  OG  . SER B 1 34  ? 18.886 -9.294  -7.325 1.00 22.73 ?  13  SER C OG  1 
ATOM   612  N  N   . ARG B 1 35  ? 21.605 -7.421  -6.707 1.00 14.00 ?  14  ARG C N   1 
ATOM   613  C  CA  . ARG B 1 35  ? 21.651 -5.978  -6.498 1.00 15.58 ?  14  ARG C CA  1 
ATOM   614  C  C   . ARG B 1 35  ? 22.901 -5.457  -5.801 1.00 15.40 ?  14  ARG C C   1 
ATOM   615  O  O   . ARG B 1 35  ? 23.185 -4.257  -5.916 1.00 13.56 ?  14  ARG C O   1 
ATOM   616  C  CB  . ARG B 1 35  ? 20.407 -5.534  -5.720 1.00 18.46 ?  14  ARG C CB  1 
ATOM   617  C  CG  . ARG B 1 35  ? 19.134 -6.145  -6.326 1.00 19.38 ?  14  ARG C CG  1 
ATOM   618  C  CD  . ARG B 1 35  ? 17.944 -5.232  -6.250 1.00 22.44 ?  14  ARG C CD  1 
ATOM   619  N  NE  . ARG B 1 35  ? 18.077 -4.023  -7.057 1.00 19.97 ?  14  ARG C NE  1 
ATOM   620  C  CZ  . ARG B 1 35  ? 17.263 -2.981  -6.954 1.00 18.11 ?  14  ARG C CZ  1 
ATOM   621  N  NH1 . ARG B 1 35  ? 16.249 -2.983  -6.102 1.00 20.22 ?  14  ARG C NH1 1 
ATOM   622  N  NH2 . ARG B 1 35  ? 17.462 -1.915  -7.734 1.00 19.83 ?  14  ARG C NH2 1 
ATOM   623  N  N   . CYS B 1 36  ? 23.665 -6.305  -5.108 1.00 14.84 ?  15  CYS C N   1 
ATOM   624  C  CA  . CYS B 1 36  ? 24.832 -5.828  -4.365 1.00 12.92 ?  15  CYS C CA  1 
ATOM   625  C  C   . CYS B 1 36  ? 26.112 -6.581  -4.701 1.00 12.48 ?  15  CYS C C   1 
ATOM   626  O  O   . CYS B 1 36  ? 27.203 -6.030  -4.538 1.00 13.95 ?  15  CYS C O   1 
ATOM   627  C  CB  . CYS B 1 36  ? 24.597 -5.925  -2.843 1.00 13.42 ?  15  CYS C CB  1 
ATOM   628  S  SG  . CYS B 1 36  ? 22.908 -5.686  -2.277 1.00 14.48 ?  15  CYS C SG  1 
ATOM   629  N  N   . ALA B 1 37  ? 25.996 -7.851  -5.115 1.00 17.06 ?  16  ALA C N   1 
ATOM   630  C  CA  . ALA B 1 37  ? 27.176 -8.704  -5.272 1.00 18.28 ?  16  ALA C CA  1 
ATOM   631  C  C   . ALA B 1 37  ? 28.110 -8.236  -6.387 1.00 16.89 ?  16  ALA C C   1 
ATOM   632  O  O   . ALA B 1 37  ? 29.310 -8.527  -6.345 1.00 15.20 ?  16  ALA C O   1 
ATOM   633  C  CB  . ALA B 1 37  ? 26.750 -10.140 -5.534 1.00 12.52 ?  16  ALA C CB  1 
ATOM   634  N  N   . SER B 1 38  ? 27.594 -7.548  -7.406 1.00 20.54 ?  17  SER C N   1 
ATOM   635  C  CA  . SER B 1 38  ? 28.486 -7.063  -8.462 1.00 20.05 ?  17  SER C CA  1 
ATOM   636  C  C   . SER B 1 38  ? 29.650 -6.256  -7.895 1.00 21.05 ?  17  SER C C   1 
ATOM   637  O  O   . SER B 1 38  ? 30.770 -6.333  -8.412 1.00 21.56 ?  17  SER C O   1 
ATOM   638  C  CB  . SER B 1 38  ? 27.708 -6.220  -9.462 1.00 21.82 ?  17  SER C CB  1 
ATOM   639  O  OG  . SER B 1 38  ? 26.997 -5.193  -8.807 1.00 26.93 ?  17  SER C OG  1 
ATOM   640  N  N   . CYS B 1 39  ? 29.414 -5.524  -6.802 1.00 17.82 ?  18  CYS C N   1 
ATOM   641  C  CA  . CYS B 1 39  ? 30.393 -4.636  -6.181 1.00 14.30 ?  18  CYS C CA  1 
ATOM   642  C  C   . CYS B 1 39  ? 30.863 -5.107  -4.813 1.00 16.61 ?  18  CYS C C   1 
ATOM   643  O  O   . CYS B 1 39  ? 32.049 -4.978  -4.481 1.00 16.42 ?  18  CYS C O   1 
ATOM   644  C  CB  . CYS B 1 39  ? 29.797 -3.231  -6.029 1.00 17.42 ?  18  CYS C CB  1 
ATOM   645  S  SG  . CYS B 1 39  ? 29.221 -2.492  -7.599 1.00 16.40 ?  18  CYS C SG  1 
ATOM   646  N  N   . HIS B 1 40  ? 29.962 -5.614  -3.990 1.00 13.66 ?  19  HIS C N   1 
ATOM   647  C  CA  . HIS B 1 40  ? 30.315 -5.867  -2.603 1.00 15.53 ?  19  HIS C CA  1 
ATOM   648  C  C   . HIS B 1 40  ? 30.878 -7.275  -2.413 1.00 17.17 ?  19  HIS C C   1 
ATOM   649  O  O   . HIS B 1 40  ? 30.859 -8.118  -3.319 1.00 14.56 ?  19  HIS C O   1 
ATOM   650  C  CB  . HIS B 1 40  ? 29.098 -5.661  -1.716 1.00 12.70 ?  19  HIS C CB  1 
ATOM   651  C  CG  . HIS B 1 40  ? 28.803 -4.224  -1.439 1.00 13.41 ?  19  HIS C CG  1 
ATOM   652  N  ND1 . HIS B 1 40  ? 29.506 -3.496  -0.508 1.00 16.30 ?  19  HIS C ND1 1 
ATOM   653  C  CD2 . HIS B 1 40  ? 27.888 -3.377  -1.968 1.00 15.23 ?  19  HIS C CD2 1 
ATOM   654  C  CE1 . HIS B 1 40  ? 29.038 -2.261  -0.476 1.00 15.04 ?  19  HIS C CE1 1 
ATOM   655  N  NE2 . HIS B 1 40  ? 28.049 -2.169  -1.343 1.00 15.56 ?  19  HIS C NE2 1 
ATOM   656  N  N   . ARG B 1 41  ? 31.408 -7.499  -1.211 1.00 12.57 ?  20  ARG C N   1 
ATOM   657  C  CA  . ARG B 1 41  ? 31.789 -8.806  -0.705 1.00 17.38 ?  20  ARG C CA  1 
ATOM   658  C  C   . ARG B 1 41  ? 30.867 -9.129  0.458  1.00 14.00 ?  20  ARG C C   1 
ATOM   659  O  O   . ARG B 1 41  ? 30.265 -8.236  1.060  1.00 14.68 ?  20  ARG C O   1 
ATOM   660  C  CB  . ARG B 1 41  ? 33.253 -8.839  -0.227 1.00 17.64 ?  20  ARG C CB  1 
ATOM   661  C  CG  . ARG B 1 41  ? 34.298 -8.421  -1.261 1.00 22.88 ?  20  ARG C CG  1 
ATOM   662  C  CD  . ARG B 1 41  ? 35.720 -8.590  -0.709 1.00 22.53 ?  20  ARG C CD  1 
ATOM   663  N  NE  . ARG B 1 41  ? 36.135 -7.495  0.167  1.00 26.69 ?  20  ARG C NE  1 
ATOM   664  C  CZ  . ARG B 1 41  ? 36.492 -7.638  1.440  1.00 26.54 ?  20  ARG C CZ  1 
ATOM   665  N  NH1 . ARG B 1 41  ? 36.466 -8.820  2.039  1.00 30.64 ?  20  ARG C NH1 1 
ATOM   666  N  NH2 . ARG B 1 41  ? 36.883 -6.568  2.132  1.00 29.09 ?  20  ARG C NH2 1 
ATOM   667  N  N   . LEU B 1 42  ? 30.766 -10.413 0.781  1.00 15.92 ?  21  LEU C N   1 
ATOM   668  C  CA  . LEU B 1 42  ? 29.898 -10.824 1.882  1.00 15.63 ?  21  LEU C CA  1 
ATOM   669  C  C   . LEU B 1 42  ? 30.538 -12.060 2.513  1.00 20.68 ?  21  LEU C C   1 
ATOM   670  O  O   . LEU B 1 42  ? 30.319 -13.185 2.055  1.00 20.32 ?  21  LEU C O   1 
ATOM   671  C  CB  . LEU B 1 42  ? 28.479 -11.107 1.407  1.00 13.74 ?  21  LEU C CB  1 
ATOM   672  C  CG  . LEU B 1 42  ? 27.523 -11.621 2.495  1.00 17.31 ?  21  LEU C CG  1 
ATOM   673  C  CD1 . LEU B 1 42  ? 27.510 -10.676 3.688  1.00 18.62 ?  21  LEU C CD1 1 
ATOM   674  C  CD2 . LEU B 1 42  ? 26.117 -11.828 1.949  1.00 18.29 ?  21  LEU C CD2 1 
ATOM   675  N  N   . GLY B 1 43  ? 31.335 -11.824 3.554  1.00 21.92 ?  22  GLY C N   1 
ATOM   676  C  CA  . GLY B 1 43  ? 32.014 -12.872 4.283  1.00 22.85 ?  22  GLY C CA  1 
ATOM   677  C  C   . GLY B 1 43  ? 32.572 -13.940 3.377  1.00 23.39 ?  22  GLY C C   1 
ATOM   678  O  O   . GLY B 1 43  ? 33.153 -13.641 2.329  1.00 21.53 ?  22  GLY C O   1 
ATOM   679  N  N   . THR B 1 44  ? 32.354 -15.194 3.751  1.00 24.25 ?  23  THR C N   1 
ATOM   680  C  CA  . THR B 1 44  ? 32.827 -16.297 2.935  1.00 22.90 ?  23  THR C CA  1 
ATOM   681  C  C   . THR B 1 44  ? 31.908 -16.595 1.757  1.00 20.00 ?  23  THR C C   1 
ATOM   682  O  O   . THR B 1 44  ? 32.330 -17.284 0.821  1.00 27.06 ?  23  THR C O   1 
ATOM   683  C  CB  . THR B 1 44  ? 33.001 -17.533 3.819  1.00 29.04 ?  23  THR C CB  1 
ATOM   684  O  OG1 . THR B 1 44  ? 31.779 -17.797 4.521  1.00 24.55 ?  23  THR C OG1 1 
ATOM   685  C  CG2 . THR B 1 44  ? 34.102 -17.293 4.832  1.00 28.40 ?  23  THR C CG2 1 
ATOM   686  N  N   . TYR B 1 45  ? 30.681 -16.068 1.761  1.00 20.88 ?  24  TYR C N   1 
ATOM   687  C  CA  . TYR B 1 45  ? 29.746 -16.379 0.685  1.00 18.91 ?  24  TYR C CA  1 
ATOM   688  C  C   . TYR B 1 45  ? 30.209 -15.766 -0.634 1.00 22.08 ?  24  TYR C C   1 
ATOM   689  O  O   . TYR B 1 45  ? 30.207 -16.431 -1.677 1.00 16.60 ?  24  TYR C O   1 
ATOM   690  C  CB  . TYR B 1 45  ? 28.332 -15.899 1.044  1.00 18.22 ?  24  TYR C CB  1 
ATOM   691  C  CG  . TYR B 1 45  ? 27.370 -15.968 -0.137 1.00 20.31 ?  24  TYR C CG  1 
ATOM   692  C  CD1 . TYR B 1 45  ? 26.826 -17.186 -0.547 1.00 16.07 ?  24  TYR C CD1 1 
ATOM   693  C  CD2 . TYR B 1 45  ? 27.030 -14.817 -0.861 1.00 19.72 ?  24  TYR C CD2 1 
ATOM   694  C  CE1 . TYR B 1 45  ? 25.951 -17.264 -1.634 1.00 18.50 ?  24  TYR C CE1 1 
ATOM   695  C  CE2 . TYR B 1 45  ? 26.157 -14.885 -1.960 1.00 15.94 ?  24  TYR C CE2 1 
ATOM   696  C  CZ  . TYR B 1 45  ? 25.633 -16.101 -2.342 1.00 17.86 ?  24  TYR C CZ  1 
ATOM   697  O  OH  . TYR B 1 45  ? 24.771 -16.164 -3.414 1.00 22.00 ?  24  TYR C OH  1 
ATOM   698  N  N   . ASP B 1 46  ? 30.629 -14.500 -0.601 1.00 20.52 ?  25  ASP C N   1 
ATOM   699  C  CA  . ASP B 1 46  ? 31.040 -13.758 -1.796 1.00 17.67 ?  25  ASP C CA  1 
ATOM   700  C  C   . ASP B 1 46  ? 32.349 -13.067 -1.433 1.00 16.82 ?  25  ASP C C   1 
ATOM   701  O  O   . ASP B 1 46  ? 32.341 -12.063 -0.715 1.00 15.75 ?  25  ASP C O   1 
ATOM   702  C  CB  . ASP B 1 46  ? 29.961 -12.756 -2.193 1.00 18.65 ?  25  ASP C CB  1 
ATOM   703  C  CG  . ASP B 1 46  ? 30.314 -11.944 -3.436 1.00 20.32 ?  25  ASP C CG  1 
ATOM   704  O  OD1 . ASP B 1 46  ? 31.387 -12.139 -4.057 1.00 19.18 ?  25  ASP C OD1 1 
ATOM   705  O  OD2 . ASP B 1 46  ? 29.497 -11.075 -3.767 1.00 17.54 -1 25  ASP C OD2 1 
ATOM   706  N  N   . ALA B 1 47  ? 33.476 -13.613 -1.890 1.00 14.94 ?  26  ALA C N   1 
ATOM   707  C  CA  . ALA B 1 47  ? 34.782 -13.060 -1.554 1.00 18.79 ?  26  ALA C CA  1 
ATOM   708  C  C   . ALA B 1 47  ? 35.355 -12.165 -2.648 1.00 23.10 ?  26  ALA C C   1 
ATOM   709  O  O   . ALA B 1 47  ? 36.541 -11.827 -2.599 1.00 27.19 ?  26  ALA C O   1 
ATOM   710  C  CB  . ALA B 1 47  ? 35.767 -14.187 -1.239 1.00 24.11 ?  26  ALA C CB  1 
ATOM   711  N  N   . SER B 1 48  ? 34.547 -11.770 -3.622 1.00 17.86 ?  27  SER C N   1 
ATOM   712  C  CA  . SER B 1 48  ? 35.002 -10.995 -4.773 1.00 24.11 ?  27  SER C CA  1 
ATOM   713  C  C   . SER B 1 48  ? 34.209 -9.703  -4.871 1.00 21.43 ?  27  SER C C   1 
ATOM   714  O  O   . SER B 1 48  ? 32.975 -9.739  -4.891 1.00 18.99 ?  27  SER C O   1 
ATOM   715  C  CB  . SER B 1 48  ? 34.830 -11.795 -6.067 1.00 16.43 ?  27  SER C CB  1 
ATOM   716  O  OG  . SER B 1 48  ? 35.576 -11.222 -7.124 1.00 34.19 ?  27  SER C OG  1 
ATOM   717  N  N   . GLY B 1 49  ? 34.909 -8.586  -4.965 1.00 20.26 ?  28  GLY C N   1 
ATOM   718  C  CA  . GLY B 1 49  ? 34.301 -7.279  -5.142 1.00 22.01 ?  28  GLY C CA  1 
ATOM   719  C  C   . GLY B 1 49  ? 35.167 -6.198  -4.515 1.00 23.71 ?  28  GLY C C   1 
ATOM   720  O  O   . GLY B 1 49  ? 35.890 -6.418  -3.549 1.00 24.12 ?  28  GLY C O   1 
ATOM   721  N  N   . SER B 1 50  ? 35.075 -4.990  -5.081 1.00 19.96 ?  29  SER C N   1 
ATOM   722  C  CA  . SER B 1 50  ? 35.849 -3.849  -4.604 1.00 20.94 ?  29  SER C CA  1 
ATOM   723  C  C   . SER B 1 50  ? 35.169 -3.085  -3.475 1.00 22.65 ?  29  SER C C   1 
ATOM   724  O  O   . SER B 1 50  ? 35.852 -2.395  -2.711 1.00 19.34 ?  29  SER C O   1 
ATOM   725  C  CB  . SER B 1 50  ? 36.113 -2.874  -5.755 1.00 20.32 ?  29  SER C CB  1 
ATOM   726  O  OG  . SER B 1 50  ? 36.995 -3.447  -6.693 1.00 32.53 ?  29  SER C OG  1 
ATOM   727  N  N   . ALA B 1 51  ? 33.841 -3.154  -3.384 1.00 19.20 ?  30  ALA C N   1 
ATOM   728  C  CA  . ALA B 1 51  ? 33.108 -2.432  -2.360 1.00 15.34 ?  30  ALA C CA  1 
ATOM   729  C  C   . ALA B 1 51  ? 33.235 -3.149  -1.013 1.00 17.04 ?  30  ALA C C   1 
ATOM   730  O  O   . ALA B 1 51  ? 33.598 -4.324  -0.960 1.00 17.56 ?  30  ALA C O   1 
ATOM   731  C  CB  . ALA B 1 51  ? 31.639 -2.302  -2.768 1.00 15.17 ?  30  ALA C CB  1 
ATOM   732  N  N   . PRO B 1 52  ? 32.959 -2.456  0.093  1.00 15.73 ?  31  PRO C N   1 
ATOM   733  C  CA  . PRO B 1 52  ? 33.212 -3.054  1.414  1.00 15.29 ?  31  PRO C CA  1 
ATOM   734  C  C   . PRO B 1 52  ? 32.487 -4.372  1.638  1.00 16.44 ?  31  PRO C C   1 
ATOM   735  O  O   . PRO B 1 52  ? 31.429 -4.642  1.070  1.00 17.34 ?  31  PRO C O   1 
ATOM   736  C  CB  . PRO B 1 52  ? 32.718 -1.983  2.389  1.00 17.40 ?  31  PRO C CB  1 
ATOM   737  C  CG  . PRO B 1 52  ? 32.908 -0.695  1.641  1.00 17.90 ?  31  PRO C CG  1 
ATOM   738  C  CD  . PRO B 1 52  ? 32.618 -1.025  0.197  1.00 19.41 ?  31  PRO C CD  1 
ATOM   739  N  N   . ASN B 1 53  ? 33.101 -5.196  2.480  1.00 17.98 ?  32  ASN C N   1 
ATOM   740  C  CA  . ASN B 1 53  ? 32.483 -6.413  2.988  1.00 19.91 ?  32  ASN C CA  1 
ATOM   741  C  C   . ASN B 1 53  ? 31.234 -6.078  3.797  1.00 16.10 ?  32  ASN C C   1 
ATOM   742  O  O   . ASN B 1 53  ? 31.266 -5.211  4.677  1.00 18.35 ?  32  ASN C O   1 
ATOM   743  C  CB  . ASN B 1 53  ? 33.497 -7.151  3.862  1.00 18.43 ?  32  ASN C CB  1 
ATOM   744  C  CG  . ASN B 1 53  ? 33.018 -8.502  4.289  1.00 22.83 ?  32  ASN C CG  1 
ATOM   745  O  OD1 . ASN B 1 53  ? 32.187 -9.114  3.626  1.00 20.60 ?  32  ASN C OD1 1 
ATOM   746  N  ND2 . ASN B 1 53  ? 33.525 -8.976  5.423  1.00 28.67 ?  32  ASN C ND2 1 
ATOM   747  N  N   . LEU B 1 54  ? 30.125 -6.749  3.497  1.00 15.71 ?  33  LEU C N   1 
ATOM   748  C  CA  . LEU B 1 54  ? 28.878 -6.492  4.204  1.00 14.33 ?  33  LEU C CA  1 
ATOM   749  C  C   . LEU B 1 54  ? 28.626 -7.464  5.360  1.00 16.31 ?  33  LEU C C   1 
ATOM   750  O  O   . LEU B 1 54  ? 27.497 -7.536  5.857  1.00 15.00 ?  33  LEU C O   1 
ATOM   751  C  CB  . LEU B 1 54  ? 27.698 -6.504  3.235  1.00 12.89 ?  33  LEU C CB  1 
ATOM   752  C  CG  . LEU B 1 54  ? 27.799 -5.362  2.208  1.00 17.10 ?  33  LEU C CG  1 
ATOM   753  C  CD1 . LEU B 1 54  ? 26.697 -5.415  1.160  1.00 14.75 ?  33  LEU C CD1 1 
ATOM   754  C  CD2 . LEU B 1 54  ? 27.793 -4.015  2.924  1.00 16.73 ?  33  LEU C CD2 1 
ATOM   755  N  N   . SER B 1 55  ? 29.636 -8.219  5.788  1.00 15.85 ?  34  SER C N   1 
ATOM   756  C  CA  . SER B 1 55  ? 29.494 -9.004  7.017  1.00 18.23 ?  34  SER C CA  1 
ATOM   757  C  C   . SER B 1 55  ? 29.269 -8.041  8.175  1.00 15.96 ?  34  SER C C   1 
ATOM   758  O  O   . SER B 1 55  ? 29.993 -7.053  8.294  1.00 19.69 ?  34  SER C O   1 
ATOM   759  C  CB  . SER B 1 55  ? 30.755 -9.821  7.299  1.00 17.05 ?  34  SER C CB  1 
ATOM   760  O  OG  . SER B 1 55  ? 31.086 -10.668 6.220  1.00 26.75 ?  34  SER C OG  1 
ATOM   761  N  N   . ARG B 1 56  ? 28.254 -8.302  9.001  1.00 16.62 ?  35  ARG C N   1 
ATOM   762  C  CA  . ARG B 1 56  ? 28.033 -7.533  10.222 1.00 19.65 ?  35  ARG C CA  1 
ATOM   763  C  C   . ARG B 1 56  ? 27.438 -6.159  9.887  1.00 20.89 ?  35  ARG C C   1 
ATOM   764  O  O   . ARG B 1 56  ? 27.346 -5.291  10.753 1.00 19.16 ?  35  ARG C O   1 
ATOM   765  C  CB  . ARG B 1 56  ? 29.385 -7.403  10.935 1.00 16.51 ?  35  ARG C CB  1 
ATOM   766  C  CG  . ARG B 1 56  ? 29.847 -8.582  11.775 1.00 19.90 ?  35  ARG C CG  1 
ATOM   767  C  CD  . ARG B 1 56  ? 30.295 -8.334  13.189 1.00 26.81 ?  35  ARG C CD  1 
ATOM   768  N  NE  . ARG B 1 56  ? 29.357 -8.048  14.253 1.00 25.65 ?  35  ARG C NE  1 
ATOM   769  C  CZ  . ARG B 1 56  ? 28.968 -8.968  15.118 1.00 28.84 ?  35  ARG C CZ  1 
ATOM   770  N  NH1 . ARG B 1 56  ? 29.037 -10.251 14.827 1.00 26.50 ?  35  ARG C NH1 1 
ATOM   771  N  NH2 . ARG B 1 56  ? 28.526 -8.594  16.309 1.00 29.43 ?  35  ARG C NH2 1 
ATOM   772  N  N   . ALA B 1 57  ? 27.035 -5.932  8.630  1.00 18.01 ?  36  ALA C N   1 
ATOM   773  C  CA  . ALA B 1 57  ? 26.657 -4.605  8.152  1.00 19.72 ?  36  ALA C CA  1 
ATOM   774  C  C   . ALA B 1 57  ? 25.146 -4.330  8.223  1.00 17.79 ?  36  ALA C C   1 
ATOM   775  O  O   . ALA B 1 57  ? 24.655 -3.411  7.558  1.00 15.81 ?  36  ALA C O   1 
ATOM   776  C  CB  . ALA B 1 57  ? 27.168 -4.409  6.718  1.00 18.96 ?  36  ALA C CB  1 
ATOM   777  N  N   . GLY B 1 58  ? 24.399 -5.085  9.027  1.00 17.52 ?  37  GLY C N   1 
ATOM   778  C  CA  . GLY B 1 58  ? 22.958 -4.868  9.096  1.00 14.98 ?  37  GLY C CA  1 
ATOM   779  C  C   . GLY B 1 58  ? 22.565 -3.462  9.536  1.00 17.24 ?  37  GLY C C   1 
ATOM   780  O  O   . GLY B 1 58  ? 21.622 -2.877  9.003  1.00 17.06 ?  37  GLY C O   1 
ATOM   781  N  N   . THR B 1 59  ? 23.258 -2.905  10.521 1.00 18.65 ?  38  THR C N   1 
ATOM   782  C  CA  . THR B 1 59  ? 22.899 -1.552  10.934 1.00 14.91 ?  38  THR C CA  1 
ATOM   783  C  C   . THR B 1 59  ? 23.285 -0.549  9.862  1.00 20.71 ?  38  THR C C   1 
ATOM   784  O  O   . THR B 1 59  ? 22.546 0.412   9.608  1.00 13.38 ?  38  THR C O   1 
ATOM   785  C  CB  . THR B 1 59  ? 23.573 -1.187  12.242 1.00 20.84 ?  38  THR C CB  1 
ATOM   786  O  OG1 . THR B 1 59  ? 24.921 -0.794  11.958 1.00 32.64 ?  38  THR C OG1 1 
ATOM   787  C  CG2 . THR B 1 59  ? 23.565 -2.362  13.174 1.00 15.11 ?  38  THR C CG2 1 
ATOM   788  N  N   . LYS B 1 60  ? 24.452 -0.755  9.242  1.00 21.33 ?  39  LYS C N   1 
ATOM   789  C  CA  . LYS B 1 60  ? 24.885 0.079   8.123  1.00 18.84 ?  39  LYS C CA  1 
ATOM   790  C  C   . LYS B 1 60  ? 23.895 0.034   6.963  1.00 18.65 ?  39  LYS C C   1 
ATOM   791  O  O   . LYS B 1 60  ? 23.628 1.060   6.323  1.00 14.94 ?  39  LYS C O   1 
ATOM   792  C  CB  . LYS B 1 60  ? 26.258 -0.376  7.634  1.00 19.09 ?  39  LYS C CB  1 
ATOM   793  C  CG  . LYS B 1 60  ? 27.409 -0.216  8.597  1.00 19.89 ?  39  LYS C CG  1 
ATOM   794  C  CD  . LYS B 1 60  ? 27.809 1.212   8.722  1.00 28.85 ?  39  LYS C CD  1 
ATOM   795  C  CE  . LYS B 1 60  ? 29.220 1.304   9.285  1.00 37.28 ?  39  LYS C CE  1 
ATOM   796  N  NZ  . LYS B 1 60  ? 29.890 -0.034  9.246  1.00 29.73 ?  39  LYS C NZ  1 
ATOM   797  N  N   . ILE B 1 61  ? 23.401 -1.160  6.632  1.00 14.97 ?  40  ILE C N   1 
ATOM   798  C  CA  . ILE B 1 61  ? 22.465 -1.299  5.516  1.00 13.99 ?  40  ILE C CA  1 
ATOM   799  C  C   . ILE B 1 61  ? 21.191 -0.509  5.791  1.00 15.41 ?  40  ILE C C   1 
ATOM   800  O  O   . ILE B 1 61  ? 20.715 0.242   4.935  1.00 13.51 ?  40  ILE C O   1 
ATOM   801  C  CB  . ILE B 1 61  ? 22.158 -2.783  5.262  1.00 14.49 ?  40  ILE C CB  1 
ATOM   802  C  CG1 . ILE B 1 61  ? 23.368 -3.467  4.640  1.00 13.93 ?  40  ILE C CG1 1 
ATOM   803  C  CG2 . ILE B 1 61  ? 20.919 -2.933  4.339  1.00 10.57 ?  40  ILE C CG2 1 
ATOM   804  C  CD1 . ILE B 1 61  ? 23.272 -4.997  4.689  1.00 17.42 ?  40  ILE C CD1 1 
ATOM   805  N  N   . ASP B 1 62  ? 20.621 -0.655  6.999  1.00 14.25 ?  41  ASP C N   1 
ATOM   806  C  CA  . ASP B 1 62  ? 19.416 0.110   7.319  1.00 15.80 ?  41  ASP C CA  1 
ATOM   807  C  C   . ASP B 1 62  ? 19.675 1.618   7.369  1.00 12.26 ?  41  ASP C C   1 
ATOM   808  O  O   . ASP B 1 62  ? 18.760 2.404   7.115  1.00 11.56 ?  41  ASP C O   1 
ATOM   809  C  CB  . ASP B 1 62  ? 18.819 -0.359  8.647  1.00 15.76 ?  41  ASP C CB  1 
ATOM   810  C  CG  . ASP B 1 62  ? 18.095 -1.689  8.515  1.00 17.13 ?  41  ASP C CG  1 
ATOM   811  O  OD1 . ASP B 1 62  ? 17.826 -2.096  7.376  1.00 15.84 ?  41  ASP C OD1 1 
ATOM   812  O  OD2 . ASP B 1 62  ? 17.777 -2.315  9.541  1.00 14.27 -1 41  ASP C OD2 1 
ATOM   813  N  N   . GLY B 1 63  ? 20.882 2.037   7.738  1.00 14.69 ?  42  GLY C N   1 
ATOM   814  C  CA  . GLY B 1 63  ? 21.222 3.450   7.691  1.00 15.16 ?  42  GLY C CA  1 
ATOM   815  C  C   . GLY B 1 63  ? 21.466 3.966   6.295  1.00 17.95 ?  42  GLY C C   1 
ATOM   816  O  O   . GLY B 1 63  ? 21.330 5.172   6.052  1.00 21.03 ?  42  GLY C O   1 
ATOM   817  N  N   . LYS B 1 64  ? 21.793 3.069   5.370  1.00 12.16 ?  43  LYS C N   1 
ATOM   818  C  CA  . LYS B 1 64  ? 22.118 3.435   3.996  1.00 18.99 ?  43  LYS C CA  1 
ATOM   819  C  C   . LYS B 1 64  ? 20.883 3.532   3.113  1.00 21.31 ?  43  LYS C C   1 
ATOM   820  O  O   . LYS B 1 64  ? 20.848 4.347   2.183  1.00 24.25 ?  43  LYS C O   1 
ATOM   821  C  CB  . LYS B 1 64  ? 23.102 2.411   3.430  1.00 15.30 ?  43  LYS C CB  1 
ATOM   822  C  CG  . LYS B 1 64  ? 23.408 2.536   1.931  1.00 18.51 ?  43  LYS C CG  1 
ATOM   823  C  CD  . LYS B 1 64  ? 24.328 3.721   1.686  1.00 23.29 ?  43  LYS C CD  1 
ATOM   824  C  CE  . LYS B 1 64  ? 25.761 3.452   2.088  1.00 23.47 ?  43  LYS C CE  1 
ATOM   825  N  NZ  . LYS B 1 64  ? 26.578 4.681   1.830  1.00 31.13 ?  43  LYS C NZ  1 
ATOM   826  N  N   . PHE B 1 65  ? 19.863 2.738   3.410  1.00 19.58 ?  44  PHE C N   1 
ATOM   827  C  CA  . PHE B 1 65  ? 18.678 2.609   2.579  1.00 15.78 ?  44  PHE C CA  1 
ATOM   828  C  C   . PHE B 1 65  ? 17.435 2.982   3.362  1.00 17.51 ?  44  PHE C C   1 
ATOM   829  O  O   . PHE B 1 65  ? 17.280 2.592   4.530  1.00 15.13 ?  44  PHE C O   1 
ATOM   830  C  CB  . PHE B 1 65  ? 18.527 1.170   2.069  1.00 17.23 ?  44  PHE C CB  1 
ATOM   831  C  CG  . PHE B 1 65  ? 19.478 0.825   0.967  1.00 12.78 ?  44  PHE C CG  1 
ATOM   832  C  CD1 . PHE B 1 65  ? 19.185 1.158   -0.339 1.00 17.44 ?  44  PHE C CD1 1 
ATOM   833  C  CD2 . PHE B 1 65  ? 20.681 0.201   1.244  1.00 15.41 ?  44  PHE C CD2 1 
ATOM   834  C  CE1 . PHE B 1 65  ? 20.045 0.859   -1.336 1.00 13.35 ?  44  PHE C CE1 1 
ATOM   835  C  CE2 . PHE B 1 65  ? 21.561 -0.099  0.234  1.00 17.28 ?  44  PHE C CE2 1 
ATOM   836  C  CZ  . PHE B 1 65  ? 21.246 0.229   -1.052 1.00 15.02 ?  44  PHE C CZ  1 
ATOM   837  N  N   . THR B 1 66  ? 16.531 3.688   2.697  1.00 15.40 ?  45  THR C N   1 
ATOM   838  C  CA  . THR B 1 66  ? 15.187 3.905   3.202  1.00 19.35 ?  45  THR C CA  1 
ATOM   839  C  C   . THR B 1 66  ? 14.204 3.181   2.300  1.00 20.13 ?  45  THR C C   1 
ATOM   840  O  O   . THR B 1 66  ? 14.254 3.336   1.074  1.00 14.94 ?  45  THR C O   1 
ATOM   841  C  CB  . THR B 1 66  ? 14.864 5.387   3.273  1.00 19.01 ?  45  THR C CB  1 
ATOM   842  O  OG1 . THR B 1 66  ? 15.730 5.987   4.242  1.00 23.57 ?  45  THR C OG1 1 
ATOM   843  C  CG2 . THR B 1 66  ? 13.412 5.595   3.668  1.00 19.64 ?  45  THR C CG2 1 
ATOM   844  N  N   . ALA B 1 67  ? 13.343 2.365   2.910  1.00 19.24 ?  46  ALA C N   1 
ATOM   845  C  CA  . ALA B 1 67  ? 12.391 1.559   2.153  1.00 19.38 ?  46  ALA C CA  1 
ATOM   846  C  C   . ALA B 1 67  ? 11.603 2.429   1.185  1.00 18.23 ?  46  ALA C C   1 
ATOM   847  O  O   . ALA B 1 67  ? 10.963 3.412   1.588  1.00 13.40 ?  46  ALA C O   1 
ATOM   848  C  CB  . ALA B 1 67  ? 11.436 0.830   3.103  1.00 18.38 ?  46  ALA C CB  1 
ATOM   849  N  N   . GLY B 1 68  ? 11.675 2.074   -0.100 1.00 15.65 ?  47  GLY C N   1 
ATOM   850  C  CA  . GLY B 1 68  ? 10.913 2.767   -1.109 1.00 19.22 ?  47  GLY C CA  1 
ATOM   851  C  C   . GLY B 1 68  ? 11.514 4.059   -1.606 1.00 15.93 ?  47  GLY C C   1 
ATOM   852  O  O   . GLY B 1 68  ? 10.861 4.760   -2.387 1.00 19.60 ?  47  GLY C O   1 
ATOM   853  N  N   . VAL B 1 69  ? 12.742 4.385   -1.217 1.00 13.82 ?  48  VAL C N   1 
ATOM   854  C  CA  . VAL B 1 69  ? 13.351 5.669   -1.557 1.00 18.39 ?  48  VAL C CA  1 
ATOM   855  C  C   . VAL B 1 69  ? 14.590 5.382   -2.381 1.00 16.76 ?  48  VAL C C   1 
ATOM   856  O  O   . VAL B 1 69  ? 15.486 4.656   -1.930 1.00 12.04 ?  48  VAL C O   1 
ATOM   857  C  CB  . VAL B 1 69  ? 13.698 6.488   -0.299 1.00 15.41 ?  48  VAL C CB  1 
ATOM   858  C  CG1 . VAL B 1 69  ? 14.542 7.720   -0.635 1.00 18.61 ?  48  VAL C CG1 1 
ATOM   859  C  CG2 . VAL B 1 69  ? 12.438 6.867   0.456  1.00 22.68 ?  48  VAL C CG2 1 
ATOM   860  N  N   . SER B 1 70  ? 14.631 5.930   -3.596 1.00 16.33 ?  49  SER C N   1 
ATOM   861  C  CA  . SER B 1 70  ? 15.768 5.701   -4.473 1.00 16.12 ?  49  SER C CA  1 
ATOM   862  C  C   . SER B 1 70  ? 17.023 6.276   -3.836 1.00 18.17 ?  49  SER C C   1 
ATOM   863  O  O   . SER B 1 70  ? 17.012 7.388   -3.305 1.00 15.34 ?  49  SER C O   1 
ATOM   864  C  CB  . SER B 1 70  ? 15.542 6.367   -5.845 1.00 20.83 ?  49  SER C CB  1 
ATOM   865  O  OG  . SER B 1 70  ? 14.694 5.595   -6.673 1.00 24.78 ?  49  SER C OG  1 
ATOM   866  N  N   . GLY B 1 71  ? 18.116 5.529   -3.909 1.00 16.29 ?  50  GLY C N   1 
ATOM   867  C  CA  . GLY B 1 71  ? 19.336 6.029   -3.311 1.00 21.62 ?  50  GLY C CA  1 
ATOM   868  C  C   . GLY B 1 71  ? 20.605 5.380   -3.810 1.00 21.06 ?  50  GLY C C   1 
ATOM   869  O  O   . GLY B 1 71  ? 20.963 5.500   -4.990 1.00 17.60 ?  50  GLY C O   1 
ATOM   870  N  N   . HIS B 1 72  ? 21.264 4.661   -2.906 1.00 18.62 ?  51  HIS C N   1 
ATOM   871  C  CA  . HIS B 1 72  ? 22.596 4.115   -3.128 1.00 18.27 ?  51  HIS C CA  1 
ATOM   872  C  C   . HIS B 1 72  ? 22.712 3.384   -4.468 1.00 14.52 ?  51  HIS C C   1 
ATOM   873  O  O   . HIS B 1 72  ? 22.004 2.406   -4.720 1.00 14.04 ?  51  HIS C O   1 
ATOM   874  C  CB  . HIS B 1 72  ? 22.934 3.173   -1.978 1.00 15.12 ?  51  HIS C CB  1 
ATOM   875  C  CG  . HIS B 1 72  ? 24.351 2.698   -1.988 1.00 13.53 ?  51  HIS C CG  1 
ATOM   876  N  ND1 . HIS B 1 72  ? 25.419 3.565   -1.940 1.00 17.84 ?  51  HIS C ND1 1 
ATOM   877  C  CD2 . HIS B 1 72  ? 24.876 1.454   -2.033 1.00 13.89 ?  51  HIS C CD2 1 
ATOM   878  C  CE1 . HIS B 1 72  ? 26.543 2.877   -1.952 1.00 16.10 ?  51  HIS C CE1 1 
ATOM   879  N  NE2 . HIS B 1 72  ? 26.241 1.596   -2.012 1.00 17.19 ?  51  HIS C NE2 1 
ATOM   880  N  N   . LYS B 1 73  ? 23.589 3.888   -5.334 1.00 16.15 ?  52  LYS C N   1 
ATOM   881  C  CA  . LYS B 1 73  ? 23.883 3.264   -6.630 1.00 13.82 ?  52  LYS C CA  1 
ATOM   882  C  C   . LYS B 1 73  ? 22.619 3.067   -7.470 1.00 14.62 ?  52  LYS C C   1 
ATOM   883  O  O   . LYS B 1 73  ? 22.530 2.140   -8.275 1.00 16.82 ?  52  LYS C O   1 
ATOM   884  C  CB  . LYS B 1 73  ? 24.618 1.927   -6.429 1.00 14.12 ?  52  LYS C CB  1 
ATOM   885  C  CG  . LYS B 1 73  ? 25.928 2.026   -5.640 1.00 15.49 ?  52  LYS C CG  1 
ATOM   886  C  CD  . LYS B 1 73  ? 26.803 3.183   -6.149 1.00 16.92 ?  52  LYS C CD  1 
ATOM   887  C  CE  . LYS B 1 73  ? 28.237 3.046   -5.669 1.00 20.19 ?  52  LYS C CE  1 
ATOM   888  N  NZ  . LYS B 1 73  ? 29.043 4.269   -5.886 1.00 22.45 ?  52  LYS C NZ  1 
ATOM   889  N  N   . GLY B 1 74  ? 21.625 3.938   -7.298 1.00 12.05 ?  53  GLY C N   1 
ATOM   890  C  CA  . GLY B 1 74  ? 20.393 3.838   -8.055 1.00 14.72 ?  53  GLY C CA  1 
ATOM   891  C  C   . GLY B 1 74  ? 19.404 2.817   -7.545 1.00 16.12 ?  53  GLY C C   1 
ATOM   892  O  O   . GLY B 1 74  ? 18.344 2.640   -8.155 1.00 14.62 ?  53  GLY C O   1 
ATOM   893  N  N   . ILE B 1 75  ? 19.682 2.192   -6.417 1.00 19.19 ?  54  ILE C N   1 
ATOM   894  C  CA  . ILE B 1 75  ? 18.906 1.065   -5.923 1.00 14.69 ?  54  ILE C CA  1 
ATOM   895  C  C   . ILE B 1 75  ? 17.746 1.587   -5.093 1.00 17.86 ?  54  ILE C C   1 
ATOM   896  O  O   . ILE B 1 75  ? 17.913 2.493   -4.267 1.00 17.16 ?  54  ILE C O   1 
ATOM   897  C  CB  . ILE B 1 75  ? 19.811 0.133   -5.101 1.00 14.97 ?  54  ILE C CB  1 
ATOM   898  C  CG1 . ILE B 1 75  ? 20.959 -0.398  -5.955 1.00 16.66 ?  54  ILE C CG1 1 
ATOM   899  C  CG2 . ILE B 1 75  ? 19.000 -1.035  -4.494 1.00 15.86 ?  54  ILE C CG2 1 
ATOM   900  C  CD1 . ILE B 1 75  ? 22.139 -0.913  -5.146 1.00 13.15 ?  54  ILE C CD1 1 
ATOM   901  N  N   . THR B 1 76  ? 16.563 1.023   -5.323 1.00 16.81 ?  55  THR C N   1 
ATOM   902  C  CA  . THR B 1 76  ? 15.403 1.210   -4.462 1.00 15.64 ?  55  THR C CA  1 
ATOM   903  C  C   . THR B 1 76  ? 15.035 -0.150  -3.882 1.00 19.60 ?  55  THR C C   1 
ATOM   904  O  O   . THR B 1 76  ? 14.901 -1.118  -4.638 1.00 14.60 ?  55  THR C O   1 
ATOM   905  C  CB  . THR B 1 76  ? 14.220 1.772   -5.242 1.00 20.33 ?  55  THR C CB  1 
ATOM   906  O  OG1 . THR B 1 76  ? 14.585 3.037   -5.819 1.00 22.41 ?  55  THR C OG1 1 
ATOM   907  C  CG2 . THR B 1 76  ? 13.020 1.956   -4.309 1.00 19.38 ?  55  THR C CG2 1 
ATOM   908  N  N   . LEU B 1 77  ? 14.888 -0.224  -2.551 1.00 14.49 ?  56  LEU C N   1 
ATOM   909  C  CA  . LEU B 1 77  ? 14.587 -1.465  -1.839 1.00 18.20 ?  56  LEU C CA  1 
ATOM   910  C  C   . LEU B 1 77  ? 13.273 -1.333  -1.071 1.00 20.36 ?  56  LEU C C   1 
ATOM   911  O  O   . LEU B 1 77  ? 13.024 -0.309  -0.410 1.00 16.11 ?  56  LEU C O   1 
ATOM   912  C  CB  . LEU B 1 77  ? 15.704 -1.820  -0.840 1.00 14.59 ?  56  LEU C CB  1 
ATOM   913  C  CG  . LEU B 1 77  ? 17.096 -2.074  -1.415 1.00 14.25 ?  56  LEU C CG  1 
ATOM   914  C  CD1 . LEU B 1 77  ? 18.083 -2.470  -0.326 1.00 13.07 ?  56  LEU C CD1 1 
ATOM   915  C  CD2 . LEU B 1 77  ? 17.040 -3.125  -2.510 1.00 10.05 ?  56  LEU C CD2 1 
ATOM   916  N  N   . THR B 1 78  ? 12.440 -2.371  -1.141 1.00 16.53 ?  57  THR C N   1 
ATOM   917  C  CA  . THR B 1 78  ? 11.244 -2.371  -0.317 1.00 17.03 ?  57  THR C CA  1 
ATOM   918  C  C   . THR B 1 78  ? 11.603 -2.730  1.125  1.00 16.23 ?  57  THR C C   1 
ATOM   919  O  O   . THR B 1 78  ? 12.706 -3.205  1.429  1.00 13.64 ?  57  THR C O   1 
ATOM   920  C  CB  . THR B 1 78  ? 10.209 -3.372  -0.827 1.00 20.55 ?  57  THR C CB  1 
ATOM   921  O  OG1 . THR B 1 78  ? 10.743 -4.700  -0.741 1.00 14.32 ?  57  THR C OG1 1 
ATOM   922  C  CG2 . THR B 1 78  ? 9.844  -3.063  -2.282 1.00 21.27 ?  57  THR C CG2 1 
ATOM   923  N  N   . ALA B 1 79  ? 10.644 -2.499  2.020  1.00 12.87 ?  58  ALA C N   1 
ATOM   924  C  CA  . ALA B 1 79  ? 10.823 -2.941  3.397  1.00 16.08 ?  58  ALA C CA  1 
ATOM   925  C  C   . ALA B 1 79  ? 11.068 -4.445  3.453  1.00 15.90 ?  58  ALA C C   1 
ATOM   926  O  O   . ALA B 1 79  ? 11.932 -4.912  4.203  1.00 13.91 ?  58  ALA C O   1 
ATOM   927  C  CB  . ALA B 1 79  ? 9.604  -2.564  4.228  1.00 15.17 ?  58  ALA C CB  1 
ATOM   928  N  N   . ALA B 1 80  ? 10.334 -5.225  2.651  1.00 12.33 ?  59  ALA C N   1 
ATOM   929  C  CA  . ALA B 1 80  ? 10.552 -6.675  2.711  1.00 15.78 ?  59  ALA C CA  1 
ATOM   930  C  C   . ALA B 1 80  ? 11.949 -7.017  2.224  1.00 11.80 ?  59  ALA C C   1 
ATOM   931  O  O   . ALA B 1 80  ? 12.604 -7.924  2.760  1.00 12.20 ?  59  ALA C O   1 
ATOM   932  C  CB  . ALA B 1 80  ? 9.494  -7.421  1.895  1.00 17.25 ?  59  ALA C CB  1 
ATOM   933  N  N   . ASP B 1 81  ? 12.413 -6.283  1.208  1.00 12.97 ?  60  ASP C N   1 
ATOM   934  C  CA  . ASP B 1 81  ? 13.753 -6.465  0.658  1.00 15.43 ?  60  ASP C CA  1 
ATOM   935  C  C   . ASP B 1 81  ? 14.820 -6.288  1.733  1.00 13.44 ?  60  ASP C C   1 
ATOM   936  O  O   . ASP B 1 81  ? 15.758 -7.089  1.841  1.00 12.57 ?  60  ASP C O   1 
ATOM   937  C  CB  . ASP B 1 81  ? 14.000 -5.438  -0.451 1.00 15.36 ?  60  ASP C CB  1 
ATOM   938  C  CG  . ASP B 1 81  ? 13.355 -5.811  -1.767 1.00 18.37 ?  60  ASP C CG  1 
ATOM   939  O  OD1 . ASP B 1 81  ? 12.959 -6.976  -1.946 1.00 19.43 ?  60  ASP C OD1 1 
ATOM   940  O  OD2 . ASP B 1 81  ? 13.255 -4.902  -2.623 1.00 21.08 -1 60  ASP C OD2 1 
ATOM   941  N  N   . LEU B 1 82  ? 14.732 -5.188  2.487  1.00 11.66 ?  61  LEU C N   1 
ATOM   942  C  CA  . LEU B 1 82  ? 15.740 -4.901  3.507  1.00 15.16 ?  61  LEU C CA  1 
ATOM   943  C  C   . LEU B 1 82  ? 15.721 -5.937  4.614  1.00 10.79 ?  61  LEU C C   1 
ATOM   944  O  O   . LEU B 1 82  ? 16.777 -6.340  5.111  1.00 12.02 ?  61  LEU C O   1 
ATOM   945  C  CB  . LEU B 1 82  ? 15.541 -3.513  4.108  1.00 15.08 ?  61  LEU C CB  1 
ATOM   946  C  CG  . LEU B 1 82  ? 15.867 -2.379  3.146  1.00 13.37 ?  61  LEU C CG  1 
ATOM   947  C  CD1 . LEU B 1 82  ? 15.054 -1.128  3.483  1.00 17.81 ?  61  LEU C CD1 1 
ATOM   948  C  CD2 . LEU B 1 82  ? 17.369 -2.161  3.230  1.00 11.13 ?  61  LEU C CD2 1 
ATOM   949  N  N   . ALA B 1 83  ? 14.535 -6.397  4.988  1.00 12.24 ?  62  ALA C N   1 
ATOM   950  C  CA  . ALA B 1 83  ? 14.442 -7.421  6.034  1.00 11.79 ?  62  ALA C CA  1 
ATOM   951  C  C   . ALA B 1 83  ? 14.989 -8.762  5.547  1.00 14.90 ?  62  ALA C C   1 
ATOM   952  O  O   . ALA B 1 83  ? 15.832 -9.378  6.215  1.00 16.22 ?  62  ALA C O   1 
ATOM   953  C  CB  . ALA B 1 83  ? 12.997 -7.556  6.499  1.00 10.94 ?  62  ALA C CB  1 
ATOM   954  N  N   . ASN B 1 84  ? 14.536 -9.220  4.374  1.00 13.04 ?  63  ASN C N   1 
ATOM   955  C  CA  . ASN B 1 84  ? 15.059 -10.459 3.801  1.00 12.80 ?  63  ASN C CA  1 
ATOM   956  C  C   . ASN B 1 84  ? 16.572 -10.384 3.619  1.00 14.31 ?  63  ASN C C   1 
ATOM   957  O  O   . ASN B 1 84  ? 17.299 -11.312 3.982  1.00 12.58 ?  63  ASN C O   1 
ATOM   958  C  CB  . ASN B 1 84  ? 14.372 -10.749 2.465  1.00 15.59 ?  63  ASN C CB  1 
ATOM   959  C  CG  . ASN B 1 84  ? 12.933 -11.156 2.631  1.00 15.72 ?  63  ASN C CG  1 
ATOM   960  O  OD1 . ASN B 1 84  ? 12.559 -11.744 3.642  1.00 16.08 ?  63  ASN C OD1 1 
ATOM   961  N  ND2 . ASN B 1 84  ? 12.114 -10.837 1.652  1.00 13.65 ?  63  ASN C ND2 1 
ATOM   962  N  N   . LEU B 1 85  ? 17.067 -9.273  3.064  1.00 12.91 ?  64  LEU C N   1 
ATOM   963  C  CA  . LEU B 1 85  ? 18.499 -9.150  2.806  1.00 13.99 ?  64  LEU C CA  1 
ATOM   964  C  C   . LEU B 1 85  ? 19.292 -9.298  4.098  1.00 11.87 ?  64  LEU C C   1 
ATOM   965  O  O   . LEU B 1 85  ? 20.275 -10.042 4.160  1.00 15.59 ?  64  LEU C O   1 
ATOM   966  C  CB  . LEU B 1 85  ? 18.800 -7.806  2.135  1.00 12.79 ?  64  LEU C CB  1 
ATOM   967  C  CG  . LEU B 1 85  ? 20.271 -7.392  2.063  1.00 12.36 ?  64  LEU C CG  1 
ATOM   968  C  CD1 . LEU B 1 85  ? 21.038 -8.407  1.254  1.00 13.06 ?  64  LEU C CD1 1 
ATOM   969  C  CD2 . LEU B 1 85  ? 20.426 -5.978  1.445  1.00 15.20 ?  64  LEU C CD2 1 
ATOM   970  N  N   . LYS B 1 86  ? 18.861 -8.613  5.160  1.00 10.35 ?  65  LYS C N   1 
ATOM   971  C  CA  . LYS B 1 86  ? 19.563 -8.748  6.431  1.00 13.36 ?  65  LYS C CA  1 
ATOM   972  C  C   . LYS B 1 86  ? 19.527 -10.184 6.958  1.00 11.59 ?  65  LYS C C   1 
ATOM   973  O  O   . LYS B 1 86  ? 20.526 -10.670 7.504  1.00 11.59 ?  65  LYS C O   1 
ATOM   974  C  CB  . LYS B 1 86  ? 18.976 -7.771  7.455  1.00 11.05 ?  65  LYS C CB  1 
ATOM   975  C  CG  . LYS B 1 86  ? 19.379 -6.309  7.154  1.00 11.30 ?  65  LYS C CG  1 
ATOM   976  C  CD  . LYS B 1 86  ? 19.056 -5.385  8.331  1.00 10.70 ?  65  LYS C CD  1 
ATOM   977  C  CE  . LYS B 1 86  ? 17.567 -5.338  8.624  1.00 14.25 ?  65  LYS C CE  1 
ATOM   978  N  NZ  . LYS B 1 86  ? 16.785 -4.647  7.553  1.00 13.03 ?  65  LYS C NZ  1 
ATOM   979  N  N   . THR B 1 87  ? 18.385 -10.865 6.852  1.00 11.21 ?  66  THR C N   1 
ATOM   980  C  CA  . THR B 1 87  ? 18.358 -12.264 7.299  1.00 12.00 ?  66  THR C CA  1 
ATOM   981  C  C   . THR B 1 87  ? 19.404 -13.085 6.560  1.00 15.57 ?  66  THR C C   1 
ATOM   982  O  O   . THR B 1 87  ? 20.062 -13.956 7.150  1.00 16.81 ?  66  THR C O   1 
ATOM   983  C  CB  . THR B 1 87  ? 16.982 -12.903 7.083  1.00 15.18 ?  66  THR C CB  1 
ATOM   984  O  OG1 . THR B 1 87  ? 16.669 -12.942 5.679  1.00 19.84 ?  66  THR C OG1 1 
ATOM   985  C  CG2 . THR B 1 87  ? 15.917 -12.145 7.840  1.00 14.74 ?  66  THR C CG2 1 
ATOM   986  N  N   . PHE B 1 88  ? 19.562 -12.829 5.259  1.00 13.22 ?  67  PHE C N   1 
ATOM   987  C  CA  . PHE B 1 88  ? 20.574 -13.535 4.479  1.00 13.24 ?  67  PHE C CA  1 
ATOM   988  C  C   . PHE B 1 88  ? 21.982 -13.166 4.926  1.00 13.71 ?  67  PHE C C   1 
ATOM   989  O  O   . PHE B 1 88  ? 22.859 -14.030 5.008  1.00 11.98 ?  67  PHE C O   1 
ATOM   990  C  CB  . PHE B 1 88  ? 20.400 -13.238 2.988  1.00 13.74 ?  67  PHE C CB  1 
ATOM   991  C  CG  . PHE B 1 88  ? 21.449 -13.875 2.129  1.00 13.91 ?  67  PHE C CG  1 
ATOM   992  C  CD1 . PHE B 1 88  ? 21.479 -15.249 1.957  1.00 14.96 ?  67  PHE C CD1 1 
ATOM   993  C  CD2 . PHE B 1 88  ? 22.438 -13.105 1.534  1.00 16.77 ?  67  PHE C CD2 1 
ATOM   994  C  CE1 . PHE B 1 88  ? 22.462 -15.851 1.182  1.00 14.62 ?  67  PHE C CE1 1 
ATOM   995  C  CE2 . PHE B 1 88  ? 23.429 -13.694 0.757  1.00 16.44 ?  67  PHE C CE2 1 
ATOM   996  C  CZ  . PHE B 1 88  ? 23.444 -15.076 0.593  1.00 17.86 ?  67  PHE C CZ  1 
ATOM   997  N  N   . VAL B 1 89  ? 22.229 -11.881 5.201  1.00 13.90 ?  68  VAL C N   1 
ATOM   998  C  CA  . VAL B 1 89  ? 23.553 -11.492 5.675  1.00 12.33 ?  68  VAL C CA  1 
ATOM   999  C  C   . VAL B 1 89  ? 23.849 -12.154 7.020  1.00 14.22 ?  68  VAL C C   1 
ATOM   1000 O  O   . VAL B 1 89  ? 24.988 -12.551 7.298  1.00 14.57 ?  68  VAL C O   1 
ATOM   1001 C  CB  . VAL B 1 89  ? 23.661 -9.957  5.745  1.00 13.29 ?  68  VAL C CB  1 
ATOM   1002 C  CG1 . VAL B 1 89  ? 24.849 -9.534  6.611  1.00 16.20 ?  68  VAL C CG1 1 
ATOM   1003 C  CG2 . VAL B 1 89  ? 23.746 -9.365  4.302  1.00 14.48 ?  68  VAL C CG2 1 
ATOM   1004 N  N   . ASN B 1 90  ? 22.828 -12.308 7.865  1.00 15.19 ?  69  ASN C N   1 
ATOM   1005 C  CA  . ASN B 1 90  ? 23.061 -12.908 9.182  1.00 15.03 ?  69  ASN C CA  1 
ATOM   1006 C  C   . ASN B 1 90  ? 23.386 -14.398 9.055  1.00 16.84 ?  69  ASN C C   1 
ATOM   1007 O  O   . ASN B 1 90  ? 24.245 -14.924 9.776  1.00 18.94 ?  69  ASN C O   1 
ATOM   1008 C  CB  . ASN B 1 90  ? 21.841 -12.730 10.095 1.00 16.46 ?  69  ASN C CB  1 
ATOM   1009 C  CG  . ASN B 1 90  ? 21.492 -11.258 10.385 1.00 19.61 ?  69  ASN C CG  1 
ATOM   1010 O  OD1 . ASN B 1 90  ? 22.353 -10.383 10.403 1.00 15.30 ?  69  ASN C OD1 1 
ATOM   1011 N  ND2 . ASN B 1 90  ? 20.228 -11.012 10.680 1.00 14.94 ?  69  ASN C ND2 1 
ATOM   1012 N  N   . ALA B 1 91  ? 22.705 -15.096 8.147  1.00 18.53 ?  70  ALA C N   1 
ATOM   1013 C  CA  . ALA B 1 91  ? 22.847 -16.549 8.064  1.00 17.88 ?  70  ALA C CA  1 
ATOM   1014 C  C   . ALA B 1 91  ? 24.033 -16.975 7.211  1.00 21.23 ?  70  ALA C C   1 
ATOM   1015 O  O   . ALA B 1 91  ? 24.573 -18.069 7.412  1.00 22.07 ?  70  ALA C O   1 
ATOM   1016 C  CB  . ALA B 1 91  ? 21.566 -17.170 7.504  1.00 19.02 ?  70  ALA C CB  1 
ATOM   1017 N  N   . ASN B 1 92  ? 24.438 -16.153 6.239  1.00 20.08 ?  71  ASN C N   1 
ATOM   1018 C  CA  . ASN B 1 92  ? 25.449 -16.558 5.266  1.00 21.29 ?  71  ASN C CA  1 
ATOM   1019 C  C   . ASN B 1 92  ? 26.569 -15.541 5.094  1.00 23.38 ?  71  ASN C C   1 
ATOM   1020 O  O   . ASN B 1 92  ? 27.591 -15.886 4.497  1.00 24.16 -1 71  ASN C O   1 
ATOM   1021 C  CB  . ASN B 1 92  ? 24.794 -16.856 3.915  1.00 15.97 ?  71  ASN C CB  1 
ATOM   1022 C  CG  . ASN B 1 92  ? 23.904 -18.092 3.969  1.00 23.39 ?  71  ASN C CG  1 
ATOM   1023 O  OD1 . ASN B 1 92  ? 24.390 -19.206 4.178  1.00 22.90 ?  71  ASN C OD1 1 
ATOM   1024 N  ND2 . ASN B 1 92  ? 22.599 -17.898 3.807  1.00 17.15 ?  71  ASN C ND2 1 
ATOM   1025 N  N   . GLY B 1 93  ? 26.653 -14.548 5.975  1.00 17.38 ?  72  GLY C N   1 
ATOM   1026 C  CA  . GLY B 1 93  ? 27.674 -13.526 5.883  1.00 20.87 ?  72  GLY C CA  1 
ATOM   1027 C  C   . GLY B 1 93  ? 28.725 -13.608 6.974  1.00 28.08 ?  72  GLY C C   1 
ATOM   1028 O  O   . GLY B 1 93  ? 29.746 -12.923 6.901  1.00 29.66 ?  72  GLY C O   1 
HETATM 1029 FE FE  . HEC C 2 .   ? 8.390  -4.988  14.257 1.00 13.94 ?  101 HEC A FE  1 
HETATM 1030 C  CHA . HEC C 2 .   ? 5.711  -6.691  15.663 1.00 18.64 ?  101 HEC A CHA 1 
HETATM 1031 C  CHB . HEC C 2 .   ? 9.461  -4.180  17.385 1.00 19.01 ?  101 HEC A CHB 1 
HETATM 1032 C  CHC . HEC C 2 .   ? 11.044 -3.185  12.896 1.00 13.90 ?  101 HEC A CHC 1 
HETATM 1033 C  CHD . HEC C 2 .   ? 7.222  -5.595  11.090 1.00 14.46 ?  101 HEC A CHD 1 
HETATM 1034 N  NA  . HEC C 2 .   ? 7.716  -5.387  16.182 1.00 15.08 ?  101 HEC A NA  1 
HETATM 1035 C  C1A . HEC C 2 .   ? 6.569  -6.070  16.542 1.00 19.63 ?  101 HEC A C1A 1 
HETATM 1036 C  C2A . HEC C 2 .   ? 6.462  -6.028  17.999 1.00 21.25 ?  101 HEC A C2A 1 
HETATM 1037 C  C3A . HEC C 2 .   ? 7.496  -5.335  18.472 1.00 18.37 ?  101 HEC A C3A 1 
HETATM 1038 C  C4A . HEC C 2 .   ? 8.304  -4.917  17.338 1.00 20.24 ?  101 HEC A C4A 1 
HETATM 1039 C  CMA . HEC C 2 .   ? 7.761  -5.034  19.970 1.00 15.81 ?  101 HEC A CMA 1 
HETATM 1040 C  CAA . HEC C 2 .   ? 5.343  -6.646  18.862 1.00 22.02 ?  101 HEC A CAA 1 
HETATM 1041 C  CBA . HEC C 2 .   ? 4.061  -5.890  18.530 1.00 27.15 ?  101 HEC A CBA 1 
HETATM 1042 C  CGA . HEC C 2 .   ? 3.034  -6.073  19.618 1.00 37.00 ?  101 HEC A CGA 1 
HETATM 1043 O  O1A . HEC C 2 .   ? 3.179  -7.043  20.411 1.00 36.52 ?  101 HEC A O1A 1 
HETATM 1044 O  O2A . HEC C 2 .   ? 2.082  -5.243  19.689 1.00 37.71 ?  101 HEC A O2A 1 
HETATM 1045 N  NB  . HEC C 2 .   ? 9.979  -3.916  14.965 1.00 16.34 ?  101 HEC A NB  1 
HETATM 1046 C  C1B . HEC C 2 .   ? 10.169 -3.681  16.321 1.00 15.58 ?  101 HEC A C1B 1 
HETATM 1047 C  C2B . HEC C 2 .   ? 11.305 -2.810  16.472 1.00 15.32 ?  101 HEC A C2B 1 
HETATM 1048 C  C3B . HEC C 2 .   ? 11.766 -2.494  15.256 1.00 13.72 ?  101 HEC A C3B 1 
HETATM 1049 C  C4B . HEC C 2 .   ? 10.933 -3.196  14.273 1.00 14.63 ?  101 HEC A C4B 1 
HETATM 1050 C  CMB . HEC C 2 .   ? 11.818 -2.302  17.850 1.00 19.61 ?  101 HEC A CMB 1 
HETATM 1051 C  CAB . HEC C 2 .   ? 12.976 -1.565  14.988 1.00 13.54 ?  101 HEC A CAB 1 
HETATM 1052 C  CBB . HEC C 2 .   ? 14.307 -2.095  15.572 1.00 10.32 ?  101 HEC A CBB 1 
HETATM 1053 N  NC  . HEC C 2 .   ? 9.001  -4.458  12.306 1.00 11.78 ?  101 HEC A NC  1 
HETATM 1054 C  C1C . HEC C 2 .   ? 10.159 -3.770  11.994 1.00 17.24 ?  101 HEC A C1C 1 
HETATM 1055 C  C2C . HEC C 2 .   ? 10.337 -3.876  10.550 1.00 13.55 ?  101 HEC A C2C 1 
HETATM 1056 C  C3C . HEC C 2 .   ? 9.214  -4.438  10.042 1.00 14.19 ?  101 HEC A C3C 1 
HETATM 1057 C  C4C . HEC C 2 .   ? 8.398  -4.879  11.155 1.00 15.29 ?  101 HEC A C4C 1 
HETATM 1058 C  CMC . HEC C 2 .   ? 11.426 -3.102  9.770  1.00 16.89 ?  101 HEC A CMC 1 
HETATM 1059 C  CAC . HEC C 2 .   ? 8.868  -4.673  8.532  1.00 16.41 ?  101 HEC A CAC 1 
HETATM 1060 C  CBC . HEC C 2 .   ? 9.961  -5.387  7.721  1.00 16.63 ?  101 HEC A CBC 1 
HETATM 1061 N  ND  . HEC C 2 .   ? 6.733  -5.961  13.522 1.00 16.60 ?  101 HEC A ND  1 
HETATM 1062 C  C1D . HEC C 2 .   ? 6.501  -6.120  12.140 1.00 16.52 ?  101 HEC A C1D 1 
HETATM 1063 C  C2D . HEC C 2 .   ? 5.315  -6.920  11.965 1.00 20.59 ?  101 HEC A C2D 1 
HETATM 1064 C  C3D . HEC C 2 .   ? 4.838  -7.269  13.382 1.00 19.52 ?  101 HEC A C3D 1 
HETATM 1065 C  C4D . HEC C 2 .   ? 5.779  -6.639  14.280 1.00 18.77 ?  101 HEC A C4D 1 
HETATM 1066 C  CMD . HEC C 2 .   ? 4.673  -7.358  10.631 1.00 21.81 ?  101 HEC A CMD 1 
HETATM 1067 C  CAD . HEC C 2 .   ? 3.611  -8.125  13.748 1.00 18.97 ?  101 HEC A CAD 1 
HETATM 1068 C  CBD . HEC C 2 .   ? 4.035  -9.586  13.624 1.00 27.88 ?  101 HEC A CBD 1 
HETATM 1069 C  CGD . HEC C 2 .   ? 5.056  -9.885  14.688 1.00 29.12 ?  101 HEC A CGD 1 
HETATM 1070 O  O1D . HEC C 2 .   ? 6.143  -10.431 14.356 1.00 33.47 ?  101 HEC A O1D 1 
HETATM 1071 O  O2D . HEC C 2 .   ? 4.778  -9.558  15.875 1.00 36.74 ?  101 HEC A O2D 1 
HETATM 1072 NA NA  . NA  D 3 .   ? 6.394  4.122   9.636  1.00 14.96 ?  102 NA  A NA  1 
HETATM 1073 NA NA  . NA  E 3 .   ? 15.709 -7.726  25.829 1.00 17.58 ?  103 NA  A NA  1 
HETATM 1074 FE FE  . HEC F 2 .   ? 27.194 -0.481  -1.588 1.00 13.04 ?  101 HEC C FE  1 
HETATM 1075 C  CHA . HEC F 2 .   ? 29.200 1.316   0.515  1.00 15.47 ?  101 HEC C CHA 1 
HETATM 1076 C  CHB . HEC F 2 .   ? 25.136 -1.253  0.987  1.00 14.18 ?  101 HEC C CHB 1 
HETATM 1077 C  CHC . HEC F 2 .   ? 25.154 -2.291  -3.738 1.00 12.12 ?  101 HEC C CHC 1 
HETATM 1078 C  CHD . HEC F 2 .   ? 29.225 0.244   -4.282 1.00 12.47 ?  101 HEC C CHD 1 
HETATM 1079 N  NA  . HEC F 2 .   ? 27.144 -0.018  0.365  1.00 13.52 ?  101 HEC C NA  1 
HETATM 1080 C  C1A . HEC F 2 .   ? 28.124 0.663   1.058  1.00 18.67 ?  101 HEC C C1A 1 
HETATM 1081 C  C2A . HEC F 2 .   ? 27.811 0.581   2.472  1.00 17.41 ?  101 HEC C C2A 1 
HETATM 1082 C  C3A . HEC F 2 .   ? 26.692 -0.135  2.600  1.00 14.99 ?  101 HEC C C3A 1 
HETATM 1083 C  C4A . HEC F 2 .   ? 26.249 -0.516  1.279  1.00 17.78 ?  101 HEC C C4A 1 
HETATM 1084 C  CMA . HEC F 2 .   ? 25.972 -0.501  3.915  1.00 14.22 ?  101 HEC C CMA 1 
HETATM 1085 C  CAA . HEC F 2 .   ? 28.651 1.197   3.613  1.00 24.96 ?  101 HEC C CAA 1 
HETATM 1086 C  CBA . HEC F 2 .   ? 29.762 0.206   3.936  1.00 26.74 ?  101 HEC C CBA 1 
HETATM 1087 C  CGA . HEC F 2 .   ? 30.665 0.719   5.031  1.00 30.31 ?  101 HEC C CGA 1 
HETATM 1088 O  O1A . HEC F 2 .   ? 30.506 1.890   5.458  1.00 35.19 ?  101 HEC C O1A 1 
HETATM 1089 O  O2A . HEC F 2 .   ? 31.553 -0.057  5.468  1.00 35.93 ?  101 HEC C O2A 1 
HETATM 1090 N  NB  . HEC F 2 .   ? 25.460 -1.520  -1.445 1.00 12.50 ?  101 HEC C NB  1 
HETATM 1091 C  C1B . HEC F 2 .   ? 24.828 -1.781  -0.239 1.00 15.64 ?  101 HEC C C1B 1 
HETATM 1092 C  C2B . HEC F 2 .   ? 23.718 -2.665  -0.478 1.00 14.60 ?  101 HEC C C2B 1 
HETATM 1093 C  C3B . HEC F 2 .   ? 23.725 -2.998  -1.778 1.00 12.75 ?  101 HEC C C3B 1 
HETATM 1094 C  C4B . HEC F 2 .   ? 24.817 -2.269  -2.410 1.00 13.83 ?  101 HEC C C4B 1 
HETATM 1095 C  CMB . HEC F 2 .   ? 22.790 -3.205  0.637  1.00 17.67 ?  101 HEC C CMB 1 
HETATM 1096 C  CAB . HEC F 2 .   ? 22.727 -3.939  -2.469 1.00 12.32 ?  101 HEC C CAB 1 
HETATM 1097 C  CBB . HEC F 2 .   ? 21.254 -3.455  -2.435 1.00 10.93 ?  101 HEC C CBB 1 
HETATM 1098 N  NC  . HEC F 2 .   ? 27.202 -0.936  -3.671 1.00 9.15  ?  101 HEC C NC  1 
HETATM 1099 C  C1C . HEC F 2 .   ? 26.244 -1.684  -4.320 1.00 14.53 ?  101 HEC C C1C 1 
HETATM 1100 C  C2C . HEC F 2 .   ? 26.482 -1.568  -5.753 1.00 12.54 ?  101 HEC C C2C 1 
HETATM 1101 C  C3C . HEC F 2 .   ? 27.714 -1.047  -5.907 1.00 12.80 ?  101 HEC C C3C 1 
HETATM 1102 C  C4C . HEC F 2 .   ? 28.126 -0.528  -4.593 1.00 12.30 ?  101 HEC C C4C 1 
HETATM 1103 C  CMC . HEC F 2 .   ? 25.775 -2.483  -6.775 1.00 18.81 ?  101 HEC C CMC 1 
HETATM 1104 C  CAC . HEC F 2 .   ? 28.452 -0.919  -7.286 1.00 14.25 ?  101 HEC C CAC 1 
HETATM 1105 C  CBC . HEC F 2 .   ? 27.715 -0.049  -8.329 1.00 15.51 ?  101 HEC C CBC 1 
HETATM 1106 N  ND  . HEC F 2 .   ? 28.953 0.603   -1.834 1.00 15.72 ?  101 HEC C ND  1 
HETATM 1107 C  C1D . HEC F 2 .   ? 29.592 0.797   -3.067 1.00 14.09 ?  101 HEC C C1D 1 
HETATM 1108 C  C2D . HEC F 2 .   ? 30.737 1.661   -2.850 1.00 15.06 ?  101 HEC C C2D 1 
HETATM 1109 C  C3D . HEC F 2 .   ? 30.724 1.996   -1.352 1.00 16.39 ?  101 HEC C C3D 1 
HETATM 1110 C  C4D . HEC F 2 .   ? 29.583 1.301   -0.810 1.00 16.50 ?  101 HEC C C4D 1 
HETATM 1111 C  CMD . HEC F 2 .   ? 31.761 2.178   -3.880 1.00 22.02 ?  101 HEC C CMD 1 
HETATM 1112 C  CAD . HEC F 2 .   ? 31.725 2.893   -0.605 1.00 16.73 ?  101 HEC C CAD 1 
HETATM 1113 C  CBD . HEC F 2 .   ? 31.233 4.338   -0.697 1.00 21.99 ?  101 HEC C CBD 1 
HETATM 1114 C  CGD . HEC F 2 .   ? 29.920 4.525   0.022  1.00 26.59 ?  101 HEC C CGD 1 
HETATM 1115 O  O1D . HEC F 2 .   ? 28.938 4.971   -0.635 1.00 29.93 ?  101 HEC C O1D 1 
HETATM 1116 O  O2D . HEC F 2 .   ? 29.843 4.232   1.253  1.00 34.07 ?  101 HEC C O2D 1 
HETATM 1117 NA NA  . NA  G 3 .   ? 30.838 -9.619  -5.024 1.00 18.19 ?  102 NA  C NA  1 
HETATM 1118 NA NA  . NA  H 3 .   ? 16.533 2.133   6.829  1.00 14.27 ?  103 NA  C NA  1 
HETATM 1119 C  C1  . GOL I 4 .   ? 6.681  3.400   1.070  1.00 31.19 ?  104 GOL C C1  1 
HETATM 1120 O  O1  . GOL I 4 .   ? 6.666  3.116   2.421  1.00 35.57 ?  104 GOL C O1  1 
HETATM 1121 C  C2  . GOL I 4 .   ? 7.103  2.121   0.306  1.00 30.24 ?  104 GOL C C2  1 
HETATM 1122 O  O2  . GOL I 4 .   ? 7.775  2.448   -0.867 1.00 29.10 ?  104 GOL C O2  1 
HETATM 1123 C  C3  . GOL I 4 .   ? 7.981  1.306   1.291  1.00 31.19 ?  104 GOL C C3  1 
HETATM 1124 O  O3  . GOL I 4 .   ? 8.127  0.009   0.761  1.00 28.18 ?  104 GOL C O3  1 
HETATM 1125 O  O   . HOH J 5 .   ? 21.909 10.304  24.635 1.00 40.07 ?  201 HOH A O   1 
HETATM 1126 O  O   . HOH J 5 .   ? 19.230 -14.226 14.244 1.00 25.08 ?  202 HOH A O   1 
HETATM 1127 O  O   . HOH J 5 .   ? 3.291  15.688  20.454 1.00 27.93 ?  203 HOH A O   1 
HETATM 1128 O  O   . HOH J 5 .   ? -1.963 -1.652  13.748 1.00 35.06 ?  204 HOH A O   1 
HETATM 1129 O  O   . HOH J 5 .   ? 1.037  -2.120  23.208 1.00 34.57 ?  205 HOH A O   1 
HETATM 1130 O  O   . HOH J 5 .   ? 6.540  4.478   26.318 1.00 25.46 ?  206 HOH A O   1 
HETATM 1131 O  O   . HOH J 5 .   ? 3.562  21.877  22.130 1.00 25.74 ?  207 HOH A O   1 
HETATM 1132 O  O   . HOH J 5 .   ? 21.491 15.880  21.487 1.00 30.30 ?  208 HOH A O   1 
HETATM 1133 O  O   . HOH J 5 .   ? 2.131  -5.780  8.541  1.00 35.07 ?  209 HOH A O   1 
HETATM 1134 O  O   . HOH J 5 .   ? 14.517 -10.419 17.991 1.00 22.81 ?  210 HOH A O   1 
HETATM 1135 O  O   . HOH J 5 .   ? 25.556 0.672   19.780 1.00 20.03 ?  211 HOH A O   1 
HETATM 1136 O  O   . HOH J 5 .   ? 13.488 -1.104  7.412  1.00 23.36 ?  212 HOH A O   1 
HETATM 1137 O  O   . HOH J 5 .   ? 10.439 3.161   25.727 1.00 27.13 ?  213 HOH A O   1 
HETATM 1138 O  O   . HOH J 5 .   ? 6.048  16.124  15.847 1.00 27.55 ?  214 HOH A O   1 
HETATM 1139 O  O   . HOH J 5 .   ? 5.555  -2.590  26.480 1.00 24.42 ?  215 HOH A O   1 
HETATM 1140 O  O   . HOH J 5 .   ? 7.456  -7.813  27.164 1.00 30.53 ?  216 HOH A O   1 
HETATM 1141 O  O   . HOH J 5 .   ? 23.975 -1.142  16.044 1.00 29.69 ?  217 HOH A O   1 
HETATM 1142 O  O   . HOH J 5 .   ? 15.589 -10.268 25.406 1.00 25.60 ?  218 HOH A O   1 
HETATM 1143 O  O   . HOH J 5 .   ? 21.289 -8.108  11.563 1.00 15.11 ?  219 HOH A O   1 
HETATM 1144 O  O   . HOH J 5 .   ? 0.905  0.976   21.016 1.00 31.17 ?  220 HOH A O   1 
HETATM 1145 O  O   . HOH J 5 .   ? 19.181 -7.434  18.708 1.00 15.05 ?  221 HOH A O   1 
HETATM 1146 O  O   . HOH J 5 .   ? 7.337  14.627  19.122 1.00 22.49 ?  222 HOH A O   1 
HETATM 1147 O  O   . HOH J 5 .   ? 7.903  -8.871  22.814 1.00 25.11 ?  223 HOH A O   1 
HETATM 1148 O  O   . HOH J 5 .   ? 4.080  -1.888  6.877  1.00 35.17 ?  224 HOH A O   1 
HETATM 1149 O  O   . HOH J 5 .   ? 23.524 -4.116  15.869 1.00 21.02 ?  225 HOH A O   1 
HETATM 1150 O  O   . HOH J 5 .   ? 1.052  -3.616  26.555 1.00 41.04 ?  226 HOH A O   1 
HETATM 1151 O  O   . HOH J 5 .   ? 12.515 9.649   27.088 1.00 18.08 ?  227 HOH A O   1 
HETATM 1152 O  O   . HOH J 5 .   ? 14.196 -5.256  8.690  1.00 16.11 ?  228 HOH A O   1 
HETATM 1153 O  O   . HOH J 5 .   ? 25.718 -1.216  23.622 1.00 17.70 ?  229 HOH A O   1 
HETATM 1154 O  O   . HOH J 5 .   ? 21.469 -5.482  12.295 1.00 17.68 ?  230 HOH A O   1 
HETATM 1155 O  O   . HOH J 5 .   ? 19.663 9.924   11.997 1.00 24.08 ?  231 HOH A O   1 
HETATM 1156 O  O   . HOH J 5 .   ? 16.208 -5.584  25.592 1.00 22.95 ?  232 HOH A O   1 
HETATM 1157 O  O   . HOH J 5 .   ? 15.034 -2.728  9.574  1.00 10.57 ?  233 HOH A O   1 
HETATM 1158 O  O   . HOH J 5 .   ? 16.515 13.649  13.012 1.00 27.22 ?  234 HOH A O   1 
HETATM 1159 O  O   . HOH J 5 .   ? 3.641  11.043  18.984 1.00 20.45 ?  235 HOH A O   1 
HETATM 1160 O  O   . HOH J 5 .   ? 21.844 5.703   17.365 1.00 24.58 ?  236 HOH A O   1 
HETATM 1161 O  O   . HOH J 5 .   ? 15.039 13.273  19.099 1.00 24.22 ?  237 HOH A O   1 
HETATM 1162 O  O   . HOH J 5 .   ? 26.539 -9.353  18.526 1.00 23.07 ?  238 HOH A O   1 
HETATM 1163 O  O   . HOH J 5 .   ? 22.200 3.877   19.535 1.00 20.15 ?  239 HOH A O   1 
HETATM 1164 O  O   . HOH J 5 .   ? 16.994 -10.296 19.140 1.00 12.79 ?  240 HOH A O   1 
HETATM 1165 O  O   . HOH J 5 .   ? 24.474 -12.228 13.987 1.00 22.56 ?  241 HOH A O   1 
HETATM 1166 O  O   . HOH J 5 .   ? 24.454 5.686   23.070 1.00 32.09 ?  242 HOH A O   1 
HETATM 1167 O  O   . HOH J 5 .   ? -1.839 4.080   14.640 1.00 30.73 ?  243 HOH A O   1 
HETATM 1168 O  O   . HOH J 5 .   ? 11.303 -11.824 11.960 1.00 24.54 ?  244 HOH A O   1 
HETATM 1169 O  O   . HOH J 5 .   ? 2.462  -0.895  22.427 1.00 32.24 ?  245 HOH A O   1 
HETATM 1170 O  O   . HOH J 5 .   ? 16.193 0.234   6.574  1.00 16.77 ?  246 HOH A O   1 
HETATM 1171 O  O   . HOH J 5 .   ? 23.958 2.345   16.492 1.00 32.05 ?  247 HOH A O   1 
HETATM 1172 O  O   . HOH J 5 .   ? 5.404  5.735   23.923 1.00 24.93 ?  248 HOH A O   1 
HETATM 1173 O  O   . HOH J 5 .   ? 19.451 -2.123  26.514 1.00 15.12 ?  249 HOH A O   1 
HETATM 1174 O  O   . HOH J 5 .   ? 7.521  2.325   26.429 1.00 32.16 ?  250 HOH A O   1 
HETATM 1175 O  O   . HOH J 5 .   ? 3.223  14.995  12.599 1.00 27.72 ?  251 HOH A O   1 
HETATM 1176 O  O   . HOH J 5 .   ? -1.649 7.266   7.622  1.00 40.21 ?  252 HOH A O   1 
HETATM 1177 O  O   . HOH J 5 .   ? 19.219 -0.043  17.306 1.00 29.22 ?  253 HOH A O   1 
HETATM 1178 O  O   . HOH J 5 .   ? 13.028 1.615   8.457  1.00 23.18 ?  254 HOH A O   1 
HETATM 1179 O  O   . HOH J 5 .   ? 17.193 10.041  11.392 1.00 27.92 ?  255 HOH A O   1 
HETATM 1180 O  O   . HOH J 5 .   ? -1.068 -0.866  16.865 1.00 28.53 ?  256 HOH A O   1 
HETATM 1181 O  O   . HOH J 5 .   ? 20.382 -0.124  15.353 1.00 18.29 ?  257 HOH A O   1 
HETATM 1182 O  O   . HOH J 5 .   ? 13.565 -11.183 25.467 1.00 25.99 ?  258 HOH A O   1 
HETATM 1183 O  O   . HOH J 5 .   ? -2.589 1.490   28.700 1.00 35.30 ?  259 HOH A O   1 
HETATM 1184 O  O   . HOH J 5 .   ? 12.389 7.469   29.062 1.00 19.59 ?  260 HOH A O   1 
HETATM 1185 O  O   . HOH J 5 .   ? 0.979  -1.499  25.352 1.00 37.42 ?  261 HOH A O   1 
HETATM 1186 O  O   . HOH J 5 .   ? 18.532 -7.305  25.889 1.00 23.29 ?  262 HOH A O   1 
HETATM 1187 O  O   . HOH J 5 .   ? 5.547  12.079  22.993 1.00 26.34 ?  263 HOH A O   1 
HETATM 1188 O  O   . HOH J 5 .   ? 24.716 -11.222 15.830 1.00 32.04 ?  264 HOH A O   1 
HETATM 1189 O  O   . HOH J 5 .   ? 4.159  27.075  15.361 1.00 29.16 ?  265 HOH A O   1 
HETATM 1190 O  O   . HOH J 5 .   ? 15.173 14.853  17.276 1.00 26.02 ?  266 HOH A O   1 
HETATM 1191 O  O   . HOH J 5 .   ? 6.695  0.098   28.327 1.00 34.25 ?  267 HOH A O   1 
HETATM 1192 O  O   . HOH J 5 .   ? 5.402  27.317  10.853 1.00 32.28 ?  268 HOH A O   1 
HETATM 1193 O  O   . HOH J 5 .   ? 14.714 -12.632 21.713 1.00 30.12 ?  269 HOH A O   1 
HETATM 1194 O  O   . HOH J 5 .   ? 7.970  11.729  10.179 1.00 34.29 ?  270 HOH A O   1 
HETATM 1195 O  O   . HOH J 5 .   ? 24.291 -5.720  18.114 1.00 24.45 ?  271 HOH A O   1 
HETATM 1196 O  O   . HOH J 5 .   ? 6.354  -6.993  7.251  1.00 29.09 ?  272 HOH A O   1 
HETATM 1197 O  O   . HOH J 5 .   ? 15.439 7.483   8.430  1.00 29.93 ?  273 HOH A O   1 
HETATM 1198 O  O   . HOH J 5 .   ? 2.378  12.569  21.210 1.00 28.57 ?  274 HOH A O   1 
HETATM 1199 O  O   . HOH J 5 .   ? 5.588  14.723  12.958 1.00 28.73 ?  275 HOH A O   1 
HETATM 1200 O  O   . HOH J 5 .   ? -1.445 -3.286  22.414 1.00 32.36 ?  276 HOH A O   1 
HETATM 1201 O  O   . HOH J 5 .   ? 24.916 3.777   19.562 1.00 32.29 ?  277 HOH A O   1 
HETATM 1202 O  O   . HOH J 5 .   ? 20.831 2.223   13.861 1.00 16.82 ?  278 HOH A O   1 
HETATM 1203 O  O   . HOH J 5 .   ? 4.619  -4.779  7.821  1.00 23.51 ?  279 HOH A O   1 
HETATM 1204 O  O   . HOH J 5 .   ? 2.526  11.348  23.430 1.00 25.02 ?  280 HOH A O   1 
HETATM 1205 O  O   . HOH J 5 .   ? -0.983 2.488   29.859 1.00 36.47 ?  281 HOH A O   1 
HETATM 1206 O  O   . HOH J 5 .   ? 8.863  9.175   9.536  1.00 26.05 ?  282 HOH A O   1 
HETATM 1207 O  O   . HOH J 5 .   ? 22.927 3.677   15.128 1.00 33.71 ?  283 HOH A O   1 
HETATM 1208 O  O   . HOH J 5 .   ? 0.048  10.541  20.711 1.00 31.66 ?  284 HOH A O   1 
HETATM 1209 O  O   . HOH J 5 .   ? 1.649  10.242  24.852 1.00 30.28 ?  285 HOH A O   1 
HETATM 1210 O  O   . HOH J 5 .   ? 0.005  -5.228  27.903 1.00 43.50 ?  286 HOH A O   1 
HETATM 1211 O  O   . HOH J 5 .   ? 22.492 5.273   11.049 1.00 28.87 ?  287 HOH A O   1 
HETATM 1212 O  O   . HOH J 5 .   ? 1.565  0.797   29.892 1.00 29.17 ?  288 HOH A O   1 
HETATM 1213 O  O   . HOH J 5 .   ? 4.413  0.258   30.433 1.00 30.79 ?  289 HOH A O   1 
HETATM 1214 O  O   . HOH K 5 .   ? 8.294  -1.561  2.058  1.00 31.18 ?  201 HOH C O   1 
HETATM 1215 O  O   . HOH K 5 .   ? 12.213 -16.562 3.879  1.00 31.62 ?  202 HOH C O   1 
HETATM 1216 O  O   . HOH K 5 .   ? 23.204 2.427   10.671 1.00 29.23 ?  203 HOH C O   1 
HETATM 1217 O  O   . HOH K 5 .   ? 9.197  -6.324  -1.515 1.00 23.61 ?  204 HOH C O   1 
HETATM 1218 O  O   . HOH K 5 .   ? 25.255 5.881   -1.218 1.00 25.58 ?  205 HOH C O   1 
HETATM 1219 O  O   . HOH K 5 .   ? 20.982 7.395   7.109  1.00 30.27 ?  206 HOH C O   1 
HETATM 1220 O  O   . HOH K 5 .   ? 20.587 7.243   -6.848 1.00 22.11 ?  207 HOH C O   1 
HETATM 1221 O  O   . HOH K 5 .   ? 31.434 -14.861 7.116  1.00 26.34 ?  208 HOH C O   1 
HETATM 1222 O  O   . HOH K 5 .   ? 15.772 2.469   -8.300 1.00 21.86 ?  209 HOH C O   1 
HETATM 1223 O  O   . HOH K 5 .   ? 18.602 -13.040 10.874 1.00 22.83 ?  210 HOH C O   1 
HETATM 1224 O  O   . HOH K 5 .   ? 20.245 4.806   -0.510 1.00 23.22 ?  211 HOH C O   1 
HETATM 1225 O  O   . HOH K 5 .   ? 22.049 -8.371  8.738  1.00 19.58 ?  212 HOH C O   1 
HETATM 1226 O  O   . HOH K 5 .   ? 8.297  3.824   -3.052 1.00 23.50 ?  213 HOH C O   1 
HETATM 1227 O  O   . HOH K 5 .   ? 33.419 -19.617 0.243  1.00 30.66 ?  214 HOH C O   1 
HETATM 1228 O  O   . HOH K 5 .   ? 26.313 -2.644  10.692 1.00 18.09 ?  215 HOH C O   1 
HETATM 1229 O  O   . HOH K 5 .   ? 31.475 -11.237 -6.538 1.00 23.57 ?  216 HOH C O   1 
HETATM 1230 O  O   . HOH K 5 .   ? 17.231 4.654   0.055  1.00 19.59 ?  217 HOH C O   1 
HETATM 1231 O  O   . HOH K 5 .   ? 24.804 -18.198 -5.254 1.00 32.43 ?  218 HOH C O   1 
HETATM 1232 O  O   . HOH K 5 .   ? 11.874 -4.966  -4.893 1.00 28.10 ?  219 HOH C O   1 
HETATM 1233 O  O   . HOH K 5 .   ? 22.526 -2.889  -8.110 1.00 10.99 ?  220 HOH C O   1 
HETATM 1234 O  O   . HOH K 5 .   ? 12.492 -9.461  -1.093 1.00 20.45 ?  221 HOH C O   1 
HETATM 1235 O  O   . HOH K 5 .   ? 20.203 -15.641 -6.774 1.00 27.48 ?  222 HOH C O   1 
HETATM 1236 O  O   . HOH K 5 .   ? 12.343 6.842   -6.896 1.00 27.24 ?  223 HOH C O   1 
HETATM 1237 O  O   . HOH K 5 .   ? 13.864 -15.215 -4.769 1.00 35.94 ?  224 HOH C O   1 
HETATM 1238 O  O   . HOH K 5 .   ? 15.504 1.830   -0.908 1.00 19.40 ?  225 HOH C O   1 
HETATM 1239 O  O   . HOH K 5 .   ? 24.597 -4.310  -9.771 1.00 20.32 ?  226 HOH C O   1 
HETATM 1240 O  O   . HOH K 5 .   ? 25.786 -13.928 11.819 1.00 25.66 ?  227 HOH C O   1 
HETATM 1241 O  O   . HOH K 5 .   ? 19.057 -15.290 9.344  1.00 14.86 ?  228 HOH C O   1 
HETATM 1242 O  O   . HOH K 5 .   ? 25.070 -7.261  -8.479 1.00 26.94 ?  229 HOH C O   1 
HETATM 1243 O  O   . HOH K 5 .   ? 12.761 -3.740  6.579  1.00 17.06 ?  230 HOH C O   1 
HETATM 1244 O  O   . HOH K 5 .   ? 15.332 -0.107  -7.981 1.00 23.12 ?  231 HOH C O   1 
HETATM 1245 O  O   . HOH K 5 .   ? 38.597 -2.781  -2.282 1.00 24.67 ?  232 HOH C O   1 
HETATM 1246 O  O   . HOH K 5 .   ? 23.497 -0.441  -8.867 1.00 19.33 ?  233 HOH C O   1 
HETATM 1247 O  O   . HOH K 5 .   ? 23.184 -19.524 -6.371 1.00 30.18 ?  234 HOH C O   1 
HETATM 1248 O  O   . HOH K 5 .   ? 15.447 -5.394  -4.362 1.00 20.63 ?  235 HOH C O   1 
HETATM 1249 O  O   . HOH K 5 .   ? 20.818 1.894   11.331 1.00 18.21 ?  236 HOH C O   1 
HETATM 1250 O  O   . HOH K 5 .   ? 7.702  -4.396  1.917  1.00 19.89 ?  237 HOH C O   1 
HETATM 1251 O  O   . HOH K 5 .   ? 14.319 -18.659 3.254  1.00 28.52 ?  238 HOH C O   1 
HETATM 1252 O  O   . HOH K 5 .   ? 17.665 -17.516 -3.347 1.00 28.07 ?  239 HOH C O   1 
HETATM 1253 O  O   . HOH K 5 .   ? 17.635 -19.749 -2.319 1.00 31.09 ?  240 HOH C O   1 
HETATM 1254 O  O   . HOH K 5 .   ? 35.553 -4.223  3.667  1.00 21.23 ?  241 HOH C O   1 
HETATM 1255 O  O   . HOH K 5 .   ? 9.263  -11.247 1.380  1.00 30.51 ?  242 HOH C O   1 
HETATM 1256 O  O   . HOH K 5 .   ? 17.756 -15.591 -7.189 1.00 29.89 ?  243 HOH C O   1 
HETATM 1257 O  O   . HOH K 5 .   ? 27.152 -11.214 8.847  1.00 20.93 ?  244 HOH C O   1 
HETATM 1258 O  O   . HOH K 5 .   ? 18.393 6.910   3.267  1.00 25.50 ?  245 HOH C O   1 
HETATM 1259 O  O   . HOH K 5 .   ? 31.765 5.495   -5.673 1.00 37.39 ?  246 HOH C O   1 
HETATM 1260 O  O   . HOH K 5 .   ? 10.285 4.463   4.308  1.00 29.10 ?  247 HOH C O   1 
HETATM 1261 O  O   . HOH K 5 .   ? 22.807 7.740   -5.762 1.00 30.71 ?  248 HOH C O   1 
HETATM 1262 O  O   . HOH K 5 .   ? 25.558 3.364   6.553  1.00 27.11 ?  249 HOH C O   1 
HETATM 1263 O  O   . HOH K 5 .   ? 37.946 -8.615  -4.880 1.00 27.69 ?  250 HOH C O   1 
HETATM 1264 O  O   . HOH K 5 .   ? 24.258 -5.144  12.388 1.00 25.39 ?  251 HOH C O   1 
HETATM 1265 O  O   . HOH K 5 .   ? 25.209 6.495   -5.009 1.00 29.11 ?  252 HOH C O   1 
HETATM 1266 O  O   . HOH K 5 .   ? 27.513 -17.297 7.985  1.00 29.74 ?  253 HOH C O   1 
HETATM 1267 O  O   . HOH K 5 .   ? 13.561 -11.253 -3.085 1.00 25.84 ?  254 HOH C O   1 
HETATM 1268 O  O   . HOH K 5 .   ? 19.541 -17.059 -5.489 1.00 33.06 ?  255 HOH C O   1 
HETATM 1269 O  O   . HOH K 5 .   ? 20.034 -20.194 -0.442 1.00 29.48 ?  256 HOH C O   1 
HETATM 1270 O  O   . HOH K 5 .   ? 19.692 -19.119 -5.158 1.00 29.09 ?  257 HOH C O   1 
HETATM 1271 O  O   . HOH K 5 .   ? 13.668 2.317   6.032  1.00 24.81 ?  258 HOH C O   1 
HETATM 1272 O  O   . HOH K 5 .   ? 30.355 -20.225 3.112  1.00 33.40 ?  259 HOH C O   1 
HETATM 1273 O  O   . HOH K 5 .   ? 14.693 -17.641 6.762  1.00 27.40 ?  260 HOH C O   1 
HETATM 1274 O  O   . HOH K 5 .   ? 11.021 5.074   -5.552 1.00 32.29 ?  261 HOH C O   1 
HETATM 1275 O  O   . HOH K 5 .   ? 26.824 1.762   11.912 1.00 29.20 ?  262 HOH C O   1 
HETATM 1276 O  O   . HOH K 5 .   ? 24.515 6.666   -6.798 1.00 32.05 ?  263 HOH C O   1 
HETATM 1277 O  O   . HOH K 5 .   ? 30.923 -3.162  9.304  1.00 37.63 ?  264 HOH C O   1 
HETATM 1278 O  O   . HOH K 5 .   ? 30.571 -12.009 12.324 1.00 20.43 ?  265 HOH C O   1 
HETATM 1279 O  O   . HOH K 5 .   ? 27.743 3.853   6.413  1.00 29.87 ?  266 HOH C O   1 
HETATM 1280 O  O   . HOH K 5 .   ? 27.725 -0.132  14.050 1.00 30.42 ?  267 HOH C O   1 
HETATM 1281 O  O   . HOH K 5 .   ? 28.936 -17.437 -4.937 1.00 31.31 ?  268 HOH C O   1 
HETATM 1282 O  O   . HOH K 5 .   ? 30.335 -17.093 8.002  1.00 31.91 ?  269 HOH C O   1 
HETATM 1283 O  O   . HOH K 5 .   ? 9.955  -9.319  -1.288 1.00 31.70 ?  270 HOH C O   1 
HETATM 1284 O  O   . HOH K 5 .   ? 5.940  4.328   -3.709 1.00 32.96 ?  271 HOH C O   1 
HETATM 1285 O  O   . HOH K 5 .   ? 32.755 -21.030 1.909  1.00 34.65 ?  272 HOH C O   1 
HETATM 1286 O  O   . HOH K 5 .   ? 32.145 -18.878 8.401  1.00 35.44 ?  273 HOH C O   1 
HETATM 1287 O  O   . HOH K 5 .   ? 15.405 -7.928  -5.732 1.00 24.11 ?  274 HOH C O   1 
HETATM 1288 O  O   . HOH K 5 .   ? 32.550 -11.944 9.801  1.00 39.88 ?  275 HOH C O   1 
HETATM 1289 O  O   . HOH K 5 .   ? 28.724 -14.583 -6.023 1.00 34.80 ?  276 HOH C O   1 
HETATM 1290 O  O   . HOH K 5 .   ? 33.567 -14.097 7.877  1.00 29.68 ?  277 HOH C O   1 
HETATM 1291 O  O   . HOH K 5 .   ? 6.614  -5.345  -0.872 1.00 32.27 ?  278 HOH C O   1 
HETATM 1292 O  O   . HOH K 5 .   ? 4.437  -1.988  0.586  1.00 33.39 ?  279 HOH C O   1 
HETATM 1293 O  O   . HOH K 5 .   ? 28.024 -12.417 11.371 1.00 28.47 ?  280 HOH C O   1 
HETATM 1294 O  O   . HOH K 5 .   ? 5.905  1.026   -4.417 1.00 39.88 ?  281 HOH C O   1 
HETATM 1295 O  O   . HOH K 5 .   ? 20.138 -17.713 -8.152 1.00 36.64 ?  282 HOH C O   1 
HETATM 1296 O  O   . HOH K 5 .   ? 25.545 -16.642 -8.225 1.00 35.79 ?  283 HOH C O   1 
HETATM 1297 O  O   . HOH K 5 .   ? 34.901 -20.809 2.241  1.00 37.26 ?  284 HOH C O   1 
HETATM 1298 O  O   . HOH K 5 .   ? 33.246 -3.486  8.604  1.00 40.02 ?  285 HOH C O   1 
HETATM 1299 O  O   . HOH K 5 .   ? 34.421 -16.014 8.260  1.00 30.99 ?  286 HOH C O   1 
HETATM 1300 O  O   . HOH K 5 .   ? 3.662  1.199   -3.449 1.00 35.70 ?  287 HOH C O   1 
HETATM 1301 O  O   . HOH K 5 .   ? 7.208  -10.423 2.639  1.00 37.33 ?  288 HOH C O   1 
HETATM 1302 O  O   . HOH K 5 .   ? 3.705  -1.900  2.784  1.00 33.69 ?  289 HOH C O   1 
HETATM 1303 O  O   . HOH K 5 .   ? 27.611 -16.648 -7.816 1.00 29.17 ?  290 HOH C O   1 
# 
