data_8RKP
# 
_entry.id   8RKP 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_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   8RKP         pdb_00008rkp 10.2210/pdb8rkp/pdb 
WWPDB D_1292134433 ?            ?                   
# 
_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       2024-12-04 
# 
_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                        8RKP 
_pdbx_database_status.recvd_initial_deposition_date   2023-12-27 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        '5B3I is the native state without NO binding' 
_pdbx_database_related.db_id          5B3I 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              sotaro.fujii@diamond.ac.uk 
_pdbx_contact_author.name_first         Sotaro 
_pdbx_contact_author.name_last          Fujii 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5356-7674 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Fujii, S.'   1 0000-0001-5356-7674 
'Hough, M.A.' 2 0000-0001-7377-6713 
# 
_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            Biophys.J. 
_citation.journal_id_ASTM           BIOJAU 
_citation.journal_id_CSD            0030 
_citation.journal_id_ISSN           1542-0086 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            123 
_citation.language                  ? 
_citation.page_first                2594 
_citation.page_last                 2603 
_citation.title                     
;Conformational rigidity of cytochrome c'-alpha from a thermophile is associated with slow NO binding.
;
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1016/j.bpj.2024.06.026 
_citation.pdbx_database_id_PubMed   38937973 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Fujii, S.'         1 ? 
primary 'Wilson, M.T.'      2 ? 
primary 'Adams, H.R.'       3 ? 
primary 'Mikolajek, H.'     4 ? 
primary 'Svistunenko, D.A.' 5 ? 
primary 'Smyth, P.'         6 ? 
primary 'Andrew, C.R.'      7 ? 
primary 'Sambongi, Y.'      8 ? 
primary 'Hough, M.A.'       9 ? 
# 
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 'Cytochrome c prime' 14733.850 1  ? ? ? ? 
2 non-polymer syn 'NITRIC OXIDE'       30.006    1  ? ? ? ? 
3 non-polymer syn 'ASCORBIC ACID'      176.124   3  ? ? ? ? 
4 non-polymer syn 'HEME C'             618.503   1  ? ? ? ? 
5 water       nat water                18.015    68 ? ? ? ? 
# 
_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       
;ALKPEDKVKFRQASYTTMAWNMGKIKAMVVDGTMPFSQTQVSAAANVIAAIANSGMGALYSPDTLGVVGFKKSRLKENFF
QEQDEVRKIATNFVEQANKLAEVAAMGDKDEIKAQFGEVGKACKACHEKFREEE
;
_entity_poly.pdbx_seq_one_letter_code_can   
;ALKPEDKVKFRQASYTTMAWNMGKIKAMVVDGTMPFSQTQVSAAANVIAAIANSGMGALYSPDTLGVVGFKKSRLKENFF
QEQDEVRKIATNFVEQANKLAEVAAMGDKDEIKAQFGEVGKACKACHEKFREEE
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'NITRIC OXIDE'  NO  
3 'ASCORBIC ACID' ASC 
4 'HEME C'        HEC 
5 water           HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ALA n 
1 2   LEU n 
1 3   LYS n 
1 4   PRO n 
1 5   GLU n 
1 6   ASP n 
1 7   LYS n 
1 8   VAL n 
1 9   LYS n 
1 10  PHE n 
1 11  ARG n 
1 12  GLN n 
1 13  ALA n 
1 14  SER n 
1 15  TYR n 
1 16  THR n 
1 17  THR n 
1 18  MET n 
1 19  ALA n 
1 20  TRP n 
1 21  ASN n 
1 22  MET n 
1 23  GLY n 
1 24  LYS n 
1 25  ILE n 
1 26  LYS n 
1 27  ALA n 
1 28  MET n 
1 29  VAL n 
1 30  VAL n 
1 31  ASP n 
1 32  GLY n 
1 33  THR n 
1 34  MET n 
1 35  PRO n 
1 36  PHE n 
1 37  SER n 
1 38  GLN n 
1 39  THR n 
1 40  GLN n 
1 41  VAL n 
1 42  SER n 
1 43  ALA n 
1 44  ALA n 
1 45  ALA n 
1 46  ASN n 
1 47  VAL n 
1 48  ILE n 
1 49  ALA n 
1 50  ALA n 
1 51  ILE n 
1 52  ALA n 
1 53  ASN n 
1 54  SER n 
1 55  GLY n 
1 56  MET n 
1 57  GLY n 
1 58  ALA n 
1 59  LEU n 
1 60  TYR n 
1 61  SER n 
1 62  PRO n 
1 63  ASP n 
1 64  THR n 
1 65  LEU n 
1 66  GLY n 
1 67  VAL n 
1 68  VAL n 
1 69  GLY n 
1 70  PHE n 
1 71  LYS n 
1 72  LYS n 
1 73  SER n 
1 74  ARG n 
1 75  LEU n 
1 76  LYS n 
1 77  GLU n 
1 78  ASN n 
1 79  PHE n 
1 80  PHE n 
1 81  GLN n 
1 82  GLU n 
1 83  GLN n 
1 84  ASP n 
1 85  GLU n 
1 86  VAL n 
1 87  ARG n 
1 88  LYS n 
1 89  ILE n 
1 90  ALA n 
1 91  THR n 
1 92  ASN n 
1 93  PHE n 
1 94  VAL n 
1 95  GLU n 
1 96  GLN n 
1 97  ALA n 
1 98  ASN n 
1 99  LYS n 
1 100 LEU n 
1 101 ALA n 
1 102 GLU n 
1 103 VAL n 
1 104 ALA n 
1 105 ALA n 
1 106 MET n 
1 107 GLY n 
1 108 ASP n 
1 109 LYS n 
1 110 ASP n 
1 111 GLU n 
1 112 ILE n 
1 113 LYS n 
1 114 ALA n 
1 115 GLN n 
1 116 PHE n 
1 117 GLY n 
1 118 GLU n 
1 119 VAL n 
1 120 GLY n 
1 121 LYS n 
1 122 ALA n 
1 123 CYS n 
1 124 LYS n 
1 125 ALA n 
1 126 CYS n 
1 127 HIS n 
1 128 GLU n 
1 129 LYS n 
1 130 PHE n 
1 131 ARG n 
1 132 GLU n 
1 133 GLU n 
1 134 GLU 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                   134 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'cytc, HPTL_0021' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Hydrogenophilus thermoluteolus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     297 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               JCB387 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ?                   'C3 H7 N O2'       89.093  
ARG 'L-peptide linking' y ARGININE        ?                   'C6 H15 N4 O2 1'   175.209 
ASC L-saccharide        . 'ASCORBIC ACID' 'Vitamin C'         'C6 H8 O6'         176.124 
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  
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 
NO  non-polymer         . 'NITRIC OXIDE'  'Nitrogen monoxide' 'N O'              30.006  
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   ALA 1   2   2   ALA ALA A . n 
A 1 2   LEU 2   3   3   LEU LEU A . n 
A 1 3   LYS 3   4   4   LYS LYS A . n 
A 1 4   PRO 4   5   5   PRO PRO A . n 
A 1 5   GLU 5   6   6   GLU GLU A . n 
A 1 6   ASP 6   7   7   ASP ASP A . n 
A 1 7   LYS 7   8   8   LYS LYS A . n 
A 1 8   VAL 8   9   9   VAL VAL A . n 
A 1 9   LYS 9   10  10  LYS LYS A . n 
A 1 10  PHE 10  11  11  PHE PHE A . n 
A 1 11  ARG 11  12  12  ARG ARG A . n 
A 1 12  GLN 12  13  13  GLN GLN A . n 
A 1 13  ALA 13  14  14  ALA ALA A . n 
A 1 14  SER 14  15  15  SER SER A . n 
A 1 15  TYR 15  16  16  TYR TYR A . n 
A 1 16  THR 16  17  17  THR THR A . n 
A 1 17  THR 17  18  18  THR THR A . n 
A 1 18  MET 18  19  19  MET MET A . n 
A 1 19  ALA 19  20  20  ALA ALA A . n 
A 1 20  TRP 20  21  21  TRP TRP A . n 
A 1 21  ASN 21  22  22  ASN ASN A . n 
A 1 22  MET 22  23  23  MET MET A . n 
A 1 23  GLY 23  24  24  GLY GLY A . n 
A 1 24  LYS 24  25  25  LYS LYS A . n 
A 1 25  ILE 25  26  26  ILE ILE A . n 
A 1 26  LYS 26  27  27  LYS LYS A . n 
A 1 27  ALA 27  28  28  ALA ALA A . n 
A 1 28  MET 28  29  29  MET MET A . n 
A 1 29  VAL 29  30  30  VAL VAL A . n 
A 1 30  VAL 30  31  31  VAL VAL A . n 
A 1 31  ASP 31  32  32  ASP ASP A . n 
A 1 32  GLY 32  33  33  GLY GLY A . n 
A 1 33  THR 33  34  34  THR THR A . n 
A 1 34  MET 34  35  35  MET MET A . n 
A 1 35  PRO 35  36  36  PRO PRO A . n 
A 1 36  PHE 36  37  37  PHE PHE A . n 
A 1 37  SER 37  38  38  SER SER A . n 
A 1 38  GLN 38  39  39  GLN GLN A . n 
A 1 39  THR 39  40  40  THR THR A . n 
A 1 40  GLN 40  41  41  GLN GLN A . n 
A 1 41  VAL 41  42  42  VAL VAL A . n 
A 1 42  SER 42  43  43  SER SER A . n 
A 1 43  ALA 43  44  44  ALA ALA A . n 
A 1 44  ALA 44  45  45  ALA ALA A . n 
A 1 45  ALA 45  46  46  ALA ALA A . n 
A 1 46  ASN 46  47  47  ASN ASN A . n 
A 1 47  VAL 47  48  48  VAL VAL A . n 
A 1 48  ILE 48  49  49  ILE ILE A . n 
A 1 49  ALA 49  50  50  ALA ALA A . n 
A 1 50  ALA 50  51  51  ALA ALA A . n 
A 1 51  ILE 51  52  52  ILE ILE A . n 
A 1 52  ALA 52  53  53  ALA ALA A . n 
A 1 53  ASN 53  54  54  ASN ASN A . n 
A 1 54  SER 54  55  55  SER SER A . n 
A 1 55  GLY 55  56  56  GLY GLY A . n 
A 1 56  MET 56  57  57  MET MET A . n 
A 1 57  GLY 57  58  58  GLY GLY A . n 
A 1 58  ALA 58  59  59  ALA ALA A . n 
A 1 59  LEU 59  60  60  LEU LEU A . n 
A 1 60  TYR 60  61  61  TYR TYR A . n 
A 1 61  SER 61  62  62  SER SER A . n 
A 1 62  PRO 62  63  63  PRO PRO A . n 
A 1 63  ASP 63  64  64  ASP ASP A . n 
A 1 64  THR 64  65  65  THR THR A . n 
A 1 65  LEU 65  66  66  LEU LEU A . n 
A 1 66  GLY 66  67  67  GLY GLY A . n 
A 1 67  VAL 67  68  68  VAL VAL A . n 
A 1 68  VAL 68  69  69  VAL VAL A . n 
A 1 69  GLY 69  70  70  GLY GLY A . n 
A 1 70  PHE 70  71  71  PHE PHE A . n 
A 1 71  LYS 71  72  72  LYS LYS A . n 
A 1 72  LYS 72  73  73  LYS LYS A . n 
A 1 73  SER 73  74  74  SER SER A . n 
A 1 74  ARG 74  75  75  ARG ARG A . n 
A 1 75  LEU 75  76  76  LEU LEU A . n 
A 1 76  LYS 76  77  77  LYS LYS A . n 
A 1 77  GLU 77  78  78  GLU GLU A . n 
A 1 78  ASN 78  79  79  ASN ASN A . n 
A 1 79  PHE 79  80  80  PHE PHE A . n 
A 1 80  PHE 80  81  81  PHE PHE A . n 
A 1 81  GLN 81  82  82  GLN GLN A . n 
A 1 82  GLU 82  83  83  GLU GLU A . n 
A 1 83  GLN 83  84  84  GLN GLN A . n 
A 1 84  ASP 84  85  85  ASP ASP A . n 
A 1 85  GLU 85  86  86  GLU GLU A . n 
A 1 86  VAL 86  87  87  VAL VAL A . n 
A 1 87  ARG 87  88  88  ARG ARG A . n 
A 1 88  LYS 88  89  89  LYS LYS A . n 
A 1 89  ILE 89  90  90  ILE ILE A . n 
A 1 90  ALA 90  91  91  ALA ALA A . n 
A 1 91  THR 91  92  92  THR THR A . n 
A 1 92  ASN 92  93  93  ASN ASN A . n 
A 1 93  PHE 93  94  94  PHE PHE A . n 
A 1 94  VAL 94  95  95  VAL VAL A . n 
A 1 95  GLU 95  96  96  GLU GLU A . n 
A 1 96  GLN 96  97  97  GLN GLN A . n 
A 1 97  ALA 97  98  98  ALA ALA A . n 
A 1 98  ASN 98  99  99  ASN ASN A . n 
A 1 99  LYS 99  100 100 LYS LYS A . n 
A 1 100 LEU 100 101 101 LEU LEU A . n 
A 1 101 ALA 101 102 102 ALA ALA A . n 
A 1 102 GLU 102 103 103 GLU GLU A . n 
A 1 103 VAL 103 104 104 VAL VAL A . n 
A 1 104 ALA 104 105 105 ALA ALA A . n 
A 1 105 ALA 105 106 106 ALA ALA A . n 
A 1 106 MET 106 107 107 MET MET A . n 
A 1 107 GLY 107 108 108 GLY GLY A . n 
A 1 108 ASP 108 109 109 ASP ASP A . n 
A 1 109 LYS 109 110 110 LYS LYS A . n 
A 1 110 ASP 110 111 111 ASP ASP A . n 
A 1 111 GLU 111 112 112 GLU GLU A . n 
A 1 112 ILE 112 113 113 ILE ILE A . n 
A 1 113 LYS 113 114 114 LYS LYS A . n 
A 1 114 ALA 114 115 115 ALA ALA A . n 
A 1 115 GLN 115 116 116 GLN GLN A . n 
A 1 116 PHE 116 117 117 PHE PHE A . n 
A 1 117 GLY 117 118 118 GLY GLY A . n 
A 1 118 GLU 118 119 119 GLU GLU A . n 
A 1 119 VAL 119 120 120 VAL VAL A . n 
A 1 120 GLY 120 121 121 GLY GLY A . n 
A 1 121 LYS 121 122 122 LYS LYS A . n 
A 1 122 ALA 122 123 123 ALA ALA A . n 
A 1 123 CYS 123 124 124 CYS CYS A . n 
A 1 124 LYS 124 125 125 LYS LYS A . n 
A 1 125 ALA 125 126 126 ALA ALA A . n 
A 1 126 CYS 126 127 127 CYS CYS A . n 
A 1 127 HIS 127 128 128 HIS HIS A . n 
A 1 128 GLU 128 129 129 GLU GLU A . n 
A 1 129 LYS 129 130 130 LYS LYS A . n 
A 1 130 PHE 130 131 131 PHE PHE A . n 
A 1 131 ARG 131 132 132 ARG ARG A . n 
A 1 132 GLU 132 133 133 GLU GLU A . n 
A 1 133 GLU 133 134 134 GLU GLU A . n 
A 1 134 GLU 134 135 135 GLU GLU A . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 ASC ? ? ASC ? ? 'SUBJECT OF INVESTIGATION' ? 
2 NO  ? ? NO  ? ? 'SUBJECT OF INVESTIGATION' ? 
3 HEC ? ? HEC ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 NO  1  201 202 NO  NO  A . 
C 3 ASC 1  202 203 ASC ASC A . 
D 3 ASC 1  203 205 ASC ASC A . 
E 3 ASC 1  204 206 ASC ASC A . 
F 4 HEC 1  205 207 HEC HEC A . 
G 5 HOH 1  301 59  HOH HOH A . 
G 5 HOH 2  302 62  HOH HOH A . 
G 5 HOH 3  303 31  HOH HOH A . 
G 5 HOH 4  304 75  HOH HOH A . 
G 5 HOH 5  305 6   HOH HOH A . 
G 5 HOH 6  306 30  HOH HOH A . 
G 5 HOH 7  307 20  HOH HOH A . 
G 5 HOH 8  308 43  HOH HOH A . 
G 5 HOH 9  309 35  HOH HOH A . 
G 5 HOH 10 310 71  HOH HOH A . 
G 5 HOH 11 311 36  HOH HOH A . 
G 5 HOH 12 312 17  HOH HOH A . 
G 5 HOH 13 313 23  HOH HOH A . 
G 5 HOH 14 314 1   HOH HOH A . 
G 5 HOH 15 315 4   HOH HOH A . 
G 5 HOH 16 316 3   HOH HOH A . 
G 5 HOH 17 317 47  HOH HOH A . 
G 5 HOH 18 318 21  HOH HOH A . 
G 5 HOH 19 319 12  HOH HOH A . 
G 5 HOH 20 320 66  HOH HOH A . 
G 5 HOH 21 321 46  HOH HOH A . 
G 5 HOH 22 322 29  HOH HOH A . 
G 5 HOH 23 323 14  HOH HOH A . 
G 5 HOH 24 324 9   HOH HOH A . 
G 5 HOH 25 325 33  HOH HOH A . 
G 5 HOH 26 326 55  HOH HOH A . 
G 5 HOH 27 327 5   HOH HOH A . 
G 5 HOH 28 328 7   HOH HOH A . 
G 5 HOH 29 329 8   HOH HOH A . 
G 5 HOH 30 330 15  HOH HOH A . 
G 5 HOH 31 331 61  HOH HOH A . 
G 5 HOH 32 332 24  HOH HOH A . 
G 5 HOH 33 333 13  HOH HOH A . 
G 5 HOH 34 334 10  HOH HOH A . 
G 5 HOH 35 335 39  HOH HOH A . 
G 5 HOH 36 336 54  HOH HOH A . 
G 5 HOH 37 337 52  HOH HOH A . 
G 5 HOH 38 338 48  HOH HOH A . 
G 5 HOH 39 339 26  HOH HOH A . 
G 5 HOH 40 340 19  HOH HOH A . 
G 5 HOH 41 341 58  HOH HOH A . 
G 5 HOH 42 342 40  HOH HOH A . 
G 5 HOH 43 343 2   HOH HOH A . 
G 5 HOH 44 344 27  HOH HOH A . 
G 5 HOH 45 345 60  HOH HOH A . 
G 5 HOH 46 346 44  HOH HOH A . 
G 5 HOH 47 347 11  HOH HOH A . 
G 5 HOH 48 348 49  HOH HOH A . 
G 5 HOH 49 349 18  HOH HOH A . 
G 5 HOH 50 350 42  HOH HOH A . 
G 5 HOH 51 351 22  HOH HOH A . 
G 5 HOH 52 352 32  HOH HOH A . 
G 5 HOH 53 353 68  HOH HOH A . 
G 5 HOH 54 354 53  HOH HOH A . 
G 5 HOH 55 355 67  HOH HOH A . 
G 5 HOH 56 356 25  HOH HOH A . 
G 5 HOH 57 357 65  HOH HOH A . 
G 5 HOH 58 358 50  HOH HOH A . 
G 5 HOH 59 359 51  HOH HOH A . 
G 5 HOH 60 360 41  HOH HOH A . 
G 5 HOH 61 361 64  HOH HOH A . 
G 5 HOH 62 362 72  HOH HOH A . 
G 5 HOH 63 363 63  HOH HOH A . 
G 5 HOH 64 364 38  HOH HOH A . 
G 5 HOH 65 365 56  HOH HOH A . 
G 5 HOH 66 366 57  HOH HOH A . 
G 5 HOH 67 367 28  HOH HOH A . 
G 5 HOH 68 368 73  HOH HOH A . 
# 
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       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? DIALS  ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? xia2   ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .        4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8RKP 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     83.671 
_cell.length_a_esd                 ? 
_cell.length_b                     83.671 
_cell.length_b_esd                 ? 
_cell.length_c                     88.247 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_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                         8RKP 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                180 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 62 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8RKP 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.93 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          58.12 
_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              4.5 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    'room temperature (20 C)' 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
'0.1 M sodium acetate pH 4.5, 0.2 M lithium sulphate, 30% (w/v) PEG 8,000 in a 96-well in-situ plate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS 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         2022-04-22 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    M 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9795 
_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        0.9795 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I04 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8RKP 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.63 
_reflns.d_resolution_low                               72.57 
_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                                     23390 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                19.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          13.4 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.120 
_reflns.pdbx_Rpim_I_all                                0.027 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.117 
_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                                    1.63 
_reflns_shell.d_res_low                                     1.66 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.4 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1135 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               20.5 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               4.362 
_reflns_shell.pdbx_Rpim_I_all                               0.952 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.3 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.9 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  4.255 
_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]                            0.03 
_refine.aniso_B[1][2]                            0.01 
_refine.aniso_B[1][3]                            0.00 
_refine.aniso_B[2][2]                            0.03 
_refine.aniso_B[2][3]                            0.00 
_refine.aniso_B[3][3]                            -0.10 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               33.946 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.964 
_refine.correlation_coeff_Fo_to_Fc_free          0.958 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_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                                 8RKP 
_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                            1.63 
_refine.ls_d_res_low                             72.57 
_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                     22222 
_refine.ls_number_reflns_R_free                  1131 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.97 
_refine.ls_percent_reflns_R_free                 4.8 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.19835 
_refine.ls_R_factor_R_free                       0.21928 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.19727 
_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                    MASK 
_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                          ? 
_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               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.086 
_refine.pdbx_overall_ESU_R_Free                  0.085 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_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                 ? 
_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                             3.109 
_refine.overall_SU_ML                            0.092 
_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                         1 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.63 
_refine_hist.d_res_low                        72.57 
_refine_hist.number_atoms_solvent             68 
_refine_hist.number_atoms_total               1178 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1029 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         81 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.013  0.013  1162 ? r_bond_refined_d             ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1076 ? r_bond_other_d               ? ? 
'X-RAY DIFFRACTION' ? 2.431  1.739  1578 ? r_angle_refined_deg          ? ? 
'X-RAY DIFFRACTION' ? 1.578  1.633  2489 ? r_angle_other_deg            ? ? 
'X-RAY DIFFRACTION' ? 5.184  5.000  136  ? r_dihedral_angle_1_deg       ? ? 
'X-RAY DIFFRACTION' ? 33.735 22.667 60   ? r_dihedral_angle_2_deg       ? ? 
'X-RAY DIFFRACTION' ? 14.960 15.000 201  ? r_dihedral_angle_3_deg       ? ? 
'X-RAY DIFFRACTION' ? 18.175 15.000 4    ? r_dihedral_angle_4_deg       ? ? 
'X-RAY DIFFRACTION' ? 0.307  0.200  148  ? r_chiral_restr               ? ? 
'X-RAY DIFFRACTION' ? 0.011  0.020  1325 ? r_gen_planes_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.003  0.020  247  ? r_gen_planes_other           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_refined                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbd_other                  ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_refined              ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_nbtor_other                ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_refined        ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_xyhbond_nbd_other          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_refined          ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_metal_ion_other            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_refined       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_vdw_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_refined     ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_hbond_other       ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_refined ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_symmetry_metal_ion_other   ? ? 
'X-RAY DIFFRACTION' ? 2.889  3.093  545  ? r_mcbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 2.890  3.084  543  ? r_mcbond_other               ? ? 
'X-RAY DIFFRACTION' ? 4.211  4.604  680  ? r_mcangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 4.208  4.614  681  ? r_mcangle_other              ? ? 
'X-RAY DIFFRACTION' ? 5.566  3.955  617  ? r_scbond_it                  ? ? 
'X-RAY DIFFRACTION' ? 5.565  3.956  615  ? r_scbond_other               ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_scangle_it                 ? ? 
'X-RAY DIFFRACTION' ? 7.969  5.666  898  ? r_scangle_other              ? ? 
'X-RAY DIFFRACTION' ? 9.397  38.396 1360 ? r_long_range_B_refined       ? ? 
'X-RAY DIFFRACTION' ? 9.345  38.283 1353 ? r_long_range_B_other         ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_rigid_bond_restr           ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_free            ? ? 
'X-RAY DIFFRACTION' ? ?      ?      ?    ? r_sphericity_bonded          ? ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.d_res_high                       1.630 
_refine_ls_shell.d_res_low                        1.672 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.number_reflns_R_free             73 
_refine_ls_shell.number_reflns_R_work             1611 
_refine_ls_shell.percent_reflns_obs               99.94 
_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                  0.403 
_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   20 
_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                  0.416 
# 
_struct.entry_id                     8RKP 
_struct.title                        
'Cytochrome c prime from Hydrogenophilus thermoluteolus: Ferrous recombinant native with bound NO' 
_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        8RKP 
_struct_keywords.text            'Nitrix oxide binding, Heme protein, 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 2 ? 
C N N 3 ? 
D N N 3 ? 
E N N 3 ? 
F N N 4 ? 
G N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    F7J213_HYDTE 
_struct_ref.pdbx_db_accession          F7J213 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;ALKPEDKVKFRQASYTTMAWNMGKIKAMVVDGTMPFSQTQVSAAANVIAAIANSGMGALYSPDTLGVVGFKKSRLKENFF
QEQDEVRKIATNFVEQANKLAEVAAMGDKDEIKAQFGEVGKACKACHEKFREEE
;
_struct_ref.pdbx_align_begin           21 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8RKP 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 134 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             F7J213 
_struct_ref_seq.db_align_beg                  21 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  154 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       2 
_struct_ref_seq.pdbx_auth_seq_align_end       135 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 6850  ? 
1 MORE         -49   ? 
1 'SSA (A^2)'  12210 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'equilibrium centrifugation' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1 'identity operation'         1_555 x,y,z     1.0000000000  0.0000000000 0.0000000000 0.0000000000   0.0000000000 1.0000000000  
0.0000000000 0.0000000000  0.0000000000 0.0000000000 1.0000000000 0.0000000000 
2 'crystal symmetry operation' 4_565 -x,-y+1,z -1.0000000000 0.0000000000 0.0000000000 -41.8355000000 0.0000000000 -1.0000000000 
0.0000000000 72.4612115600 0.0000000000 0.0000000000 1.0000000000 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 LYS A 3   ? VAL A 30  ? LYS A 4   VAL A 31  1 ? 28 
HELX_P HELX_P2 AA2 SER A 37  ? ASN A 53  ? SER A 38  ASN A 54  1 ? 17 
HELX_P HELX_P3 AA3 GLY A 55  ? TYR A 60  ? GLY A 56  TYR A 61  5 ? 6  
HELX_P HELX_P4 AA4 SER A 61  ? LEU A 65  ? SER A 62  LEU A 66  5 ? 5  
HELX_P HELX_P5 AA5 LYS A 76  ? GLN A 81  ? LYS A 77  GLN A 82  5 ? 6  
HELX_P HELX_P6 AA6 GLU A 82  ? ALA A 105 ? GLU A 83  ALA A 106 1 ? 24 
HELX_P HELX_P7 AA7 ASP A 108 ? CYS A 126 ? ASP A 109 CYS A 127 1 ? 19 
# 
_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 123 SG ? ? ? 1_555 F HEC . CAB ? ? A CYS 124 A HEC 205 1_555 ? ? ? ? ? ? ? 1.806 ? ? 
covale2 covale none ? A CYS 126 SG ? ? ? 1_555 F HEC . CAC ? ? A CYS 127 A HEC 205 1_555 ? ? ? ? ? ? ? 1.767 ? ? 
metalc1 metalc ?    ? B NO  .   N  ? ? ? 1_555 F HEC . FE  ? ? A NO  201 A HEC 205 1_555 ? ? ? ? ? ? ? 1.909 ? ? 
metalc2 metalc ?    ? B NO  .   O  ? ? ? 1_555 F HEC . FE  ? ? A NO  201 A HEC 205 1_555 ? ? ? ? ? ? ? 2.725 ? ? 
# 
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  N  ? B NO  . ? A NO  201 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 NA ? F HEC . ? A HEC 205 ? 1_555 93.7  ? 
2  N  ? B NO  . ? A NO  201 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 NB ? F HEC . ? A HEC 205 ? 1_555 85.0  ? 
3  NA ? F HEC . ? A HEC 205 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 NB ? F HEC . ? A HEC 205 ? 1_555 88.6  ? 
4  N  ? B NO  . ? A NO  201 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 NC ? F HEC . ? A HEC 205 ? 1_555 95.7  ? 
5  NA ? F HEC . ? A HEC 205 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 NC ? F HEC . ? A HEC 205 ? 1_555 170.5 ? 
6  NB ? F HEC . ? A HEC 205 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 NC ? F HEC . ? A HEC 205 ? 1_555 93.3  ? 
7  N  ? B NO  . ? A NO  201 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 ND ? F HEC . ? A HEC 205 ? 1_555 103.4 ? 
8  NA ? F HEC . ? A HEC 205 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 ND ? F HEC . ? A HEC 205 ? 1_555 89.0  ? 
9  NB ? F HEC . ? A HEC 205 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 ND ? F HEC . ? A HEC 205 ? 1_555 171.4 ? 
10 NC ? F HEC . ? A HEC 205 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 ND ? F HEC . ? A HEC 205 ? 1_555 87.8  ? 
11 N  ? B NO  . ? A NO  201 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 O  ? B NO  . ? A NO  201 ? 1_555 26.1  ? 
12 NA ? F HEC . ? A HEC 205 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 O  ? B NO  . ? A NO  201 ? 1_555 107.4 ? 
13 NB ? F HEC . ? A HEC 205 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 O  ? B NO  . ? A NO  201 ? 1_555 107.1 ? 
14 NC ? F HEC . ? A HEC 205 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 O  ? B NO  . ? A NO  201 ? 1_555 81.0  ? 
15 ND ? F HEC . ? A HEC 205 ? 1_555 FE ? F HEC . ? A HEC 205 ? 1_555 O  ? B NO  . ? A NO  201 ? 1_555 81.5  ? 
# 
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 F . ? CYS A 123 ? HEC A 205 ? 1_555 CYS A 124 ? 1_555 CAB SG CYS 2 HEC None Heme/heme-like 
2 HEC F . ? CYS A 126 ? HEC A 205 ? 1_555 CYS A 127 ? 1_555 CAC SG CYS 3 HEC None Heme/heme-like 
# 
_pdbx_entry_details.entry_id                   8RKP 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    GLU 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     129 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             61.95 
_pdbx_validate_torsion.psi             -45.43 
# 
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  
ASC C1   C  N N 41  
ASC C2   C  N N 42  
ASC C3   C  N N 43  
ASC C4   C  N R 44  
ASC C5   C  N S 45  
ASC C6   C  N N 46  
ASC O1   O  N N 47  
ASC O2   O  N N 48  
ASC O3   O  N N 49  
ASC O4   O  N N 50  
ASC O5   O  N N 51  
ASC O6   O  N N 52  
ASC H4   H  N N 53  
ASC H5   H  N N 54  
ASC H61  H  N N 55  
ASC H62  H  N N 56  
ASC HO2  H  N N 57  
ASC HO3  H  N N 58  
ASC HO5  H  N N 59  
ASC HO6  H  N N 60  
ASN N    N  N N 61  
ASN CA   C  N S 62  
ASN C    C  N N 63  
ASN O    O  N N 64  
ASN CB   C  N N 65  
ASN CG   C  N N 66  
ASN OD1  O  N N 67  
ASN ND2  N  N N 68  
ASN OXT  O  N N 69  
ASN H    H  N N 70  
ASN H2   H  N N 71  
ASN HA   H  N N 72  
ASN HB2  H  N N 73  
ASN HB3  H  N N 74  
ASN HD21 H  N N 75  
ASN HD22 H  N N 76  
ASN HXT  H  N N 77  
ASP N    N  N N 78  
ASP CA   C  N S 79  
ASP C    C  N N 80  
ASP O    O  N N 81  
ASP CB   C  N N 82  
ASP CG   C  N N 83  
ASP OD1  O  N N 84  
ASP OD2  O  N N 85  
ASP OXT  O  N N 86  
ASP H    H  N N 87  
ASP H2   H  N N 88  
ASP HA   H  N N 89  
ASP HB2  H  N N 90  
ASP HB3  H  N N 91  
ASP HD2  H  N N 92  
ASP HXT  H  N N 93  
CYS N    N  N N 94  
CYS CA   C  N R 95  
CYS C    C  N N 96  
CYS O    O  N N 97  
CYS CB   C  N N 98  
CYS SG   S  N N 99  
CYS OXT  O  N N 100 
CYS H    H  N N 101 
CYS H2   H  N N 102 
CYS HA   H  N N 103 
CYS HB2  H  N N 104 
CYS HB3  H  N N 105 
CYS HG   H  N N 106 
CYS HXT  H  N N 107 
GLN N    N  N N 108 
GLN CA   C  N S 109 
GLN C    C  N N 110 
GLN O    O  N N 111 
GLN CB   C  N N 112 
GLN CG   C  N N 113 
GLN CD   C  N N 114 
GLN OE1  O  N N 115 
GLN NE2  N  N N 116 
GLN OXT  O  N N 117 
GLN H    H  N N 118 
GLN H2   H  N N 119 
GLN HA   H  N N 120 
GLN HB2  H  N N 121 
GLN HB3  H  N N 122 
GLN HG2  H  N N 123 
GLN HG3  H  N N 124 
GLN HE21 H  N N 125 
GLN HE22 H  N N 126 
GLN HXT  H  N N 127 
GLU N    N  N N 128 
GLU CA   C  N S 129 
GLU C    C  N N 130 
GLU O    O  N N 131 
GLU CB   C  N N 132 
GLU CG   C  N N 133 
GLU CD   C  N N 134 
GLU OE1  O  N N 135 
GLU OE2  O  N N 136 
GLU OXT  O  N N 137 
GLU H    H  N N 138 
GLU H2   H  N N 139 
GLU HA   H  N N 140 
GLU HB2  H  N N 141 
GLU HB3  H  N N 142 
GLU HG2  H  N N 143 
GLU HG3  H  N N 144 
GLU HE2  H  N N 145 
GLU HXT  H  N N 146 
GLY N    N  N N 147 
GLY CA   C  N N 148 
GLY C    C  N N 149 
GLY O    O  N N 150 
GLY OXT  O  N N 151 
GLY H    H  N N 152 
GLY H2   H  N N 153 
GLY HA2  H  N N 154 
GLY HA3  H  N N 155 
GLY HXT  H  N N 156 
HEC FE   FE N N 157 
HEC CHA  C  N N 158 
HEC CHB  C  N N 159 
HEC CHC  C  N N 160 
HEC CHD  C  N N 161 
HEC NA   N  Y N 162 
HEC C1A  C  Y N 163 
HEC C2A  C  Y N 164 
HEC C3A  C  Y N 165 
HEC C4A  C  Y N 166 
HEC CMA  C  N N 167 
HEC CAA  C  N N 168 
HEC CBA  C  N N 169 
HEC CGA  C  N N 170 
HEC O1A  O  N N 171 
HEC O2A  O  N N 172 
HEC NB   N  Y N 173 
HEC C1B  C  Y N 174 
HEC C2B  C  Y N 175 
HEC C3B  C  Y N 176 
HEC C4B  C  Y N 177 
HEC CMB  C  N N 178 
HEC CAB  C  N N 179 
HEC CBB  C  N N 180 
HEC NC   N  Y N 181 
HEC C1C  C  Y N 182 
HEC C2C  C  Y N 183 
HEC C3C  C  Y N 184 
HEC C4C  C  Y N 185 
HEC CMC  C  N N 186 
HEC CAC  C  N N 187 
HEC CBC  C  N N 188 
HEC ND   N  Y N 189 
HEC C1D  C  Y N 190 
HEC C2D  C  Y N 191 
HEC C3D  C  Y N 192 
HEC C4D  C  Y N 193 
HEC CMD  C  N N 194 
HEC CAD  C  N N 195 
HEC CBD  C  N N 196 
HEC CGD  C  N N 197 
HEC O1D  O  N N 198 
HEC O2D  O  N N 199 
HEC HHA  H  N N 200 
HEC HHB  H  N N 201 
HEC HHC  H  N N 202 
HEC HHD  H  N N 203 
HEC HMA1 H  N N 204 
HEC HMA2 H  N N 205 
HEC HMA3 H  N N 206 
HEC HAA1 H  N N 207 
HEC HAA2 H  N N 208 
HEC HBA1 H  N N 209 
HEC HBA2 H  N N 210 
HEC H2A  H  N N 211 
HEC HMB1 H  N N 212 
HEC HMB2 H  N N 213 
HEC HMB3 H  N N 214 
HEC HAB  H  N N 215 
HEC HBB1 H  N N 216 
HEC HBB2 H  N N 217 
HEC HBB3 H  N N 218 
HEC HMC1 H  N N 219 
HEC HMC2 H  N N 220 
HEC HMC3 H  N N 221 
HEC HAC  H  N N 222 
HEC HBC1 H  N N 223 
HEC HBC2 H  N N 224 
HEC HBC3 H  N N 225 
HEC HMD1 H  N N 226 
HEC HMD2 H  N N 227 
HEC HMD3 H  N N 228 
HEC HAD1 H  N N 229 
HEC HAD2 H  N N 230 
HEC HBD1 H  N N 231 
HEC HBD2 H  N N 232 
HEC H2D  H  N N 233 
HIS N    N  N N 234 
HIS CA   C  N S 235 
HIS C    C  N N 236 
HIS O    O  N N 237 
HIS CB   C  N N 238 
HIS CG   C  Y N 239 
HIS ND1  N  Y N 240 
HIS CD2  C  Y N 241 
HIS CE1  C  Y N 242 
HIS NE2  N  Y N 243 
HIS OXT  O  N N 244 
HIS H    H  N N 245 
HIS H2   H  N N 246 
HIS HA   H  N N 247 
HIS HB2  H  N N 248 
HIS HB3  H  N N 249 
HIS HD1  H  N N 250 
HIS HD2  H  N N 251 
HIS HE1  H  N N 252 
HIS HE2  H  N N 253 
HIS HXT  H  N N 254 
HOH O    O  N N 255 
HOH H1   H  N N 256 
HOH H2   H  N N 257 
ILE N    N  N N 258 
ILE CA   C  N S 259 
ILE C    C  N N 260 
ILE O    O  N N 261 
ILE CB   C  N S 262 
ILE CG1  C  N N 263 
ILE CG2  C  N N 264 
ILE CD1  C  N N 265 
ILE OXT  O  N N 266 
ILE H    H  N N 267 
ILE H2   H  N N 268 
ILE HA   H  N N 269 
ILE HB   H  N N 270 
ILE HG12 H  N N 271 
ILE HG13 H  N N 272 
ILE HG21 H  N N 273 
ILE HG22 H  N N 274 
ILE HG23 H  N N 275 
ILE HD11 H  N N 276 
ILE HD12 H  N N 277 
ILE HD13 H  N N 278 
ILE HXT  H  N N 279 
LEU N    N  N N 280 
LEU CA   C  N S 281 
LEU C    C  N N 282 
LEU O    O  N N 283 
LEU CB   C  N N 284 
LEU CG   C  N N 285 
LEU CD1  C  N N 286 
LEU CD2  C  N N 287 
LEU OXT  O  N N 288 
LEU H    H  N N 289 
LEU H2   H  N N 290 
LEU HA   H  N N 291 
LEU HB2  H  N N 292 
LEU HB3  H  N N 293 
LEU HG   H  N N 294 
LEU HD11 H  N N 295 
LEU HD12 H  N N 296 
LEU HD13 H  N N 297 
LEU HD21 H  N N 298 
LEU HD22 H  N N 299 
LEU HD23 H  N N 300 
LEU HXT  H  N N 301 
LYS N    N  N N 302 
LYS CA   C  N S 303 
LYS C    C  N N 304 
LYS O    O  N N 305 
LYS CB   C  N N 306 
LYS CG   C  N N 307 
LYS CD   C  N N 308 
LYS CE   C  N N 309 
LYS NZ   N  N N 310 
LYS OXT  O  N N 311 
LYS H    H  N N 312 
LYS H2   H  N N 313 
LYS HA   H  N N 314 
LYS HB2  H  N N 315 
LYS HB3  H  N N 316 
LYS HG2  H  N N 317 
LYS HG3  H  N N 318 
LYS HD2  H  N N 319 
LYS HD3  H  N N 320 
LYS HE2  H  N N 321 
LYS HE3  H  N N 322 
LYS HZ1  H  N N 323 
LYS HZ2  H  N N 324 
LYS HZ3  H  N N 325 
LYS HXT  H  N N 326 
MET N    N  N N 327 
MET CA   C  N S 328 
MET C    C  N N 329 
MET O    O  N N 330 
MET CB   C  N N 331 
MET CG   C  N N 332 
MET SD   S  N N 333 
MET CE   C  N N 334 
MET OXT  O  N N 335 
MET H    H  N N 336 
MET H2   H  N N 337 
MET HA   H  N N 338 
MET HB2  H  N N 339 
MET HB3  H  N N 340 
MET HG2  H  N N 341 
MET HG3  H  N N 342 
MET HE1  H  N N 343 
MET HE2  H  N N 344 
MET HE3  H  N N 345 
MET HXT  H  N N 346 
NO  N    N  N N 347 
NO  O    O  N N 348 
PHE N    N  N N 349 
PHE CA   C  N S 350 
PHE C    C  N N 351 
PHE O    O  N N 352 
PHE CB   C  N N 353 
PHE CG   C  Y N 354 
PHE CD1  C  Y N 355 
PHE CD2  C  Y N 356 
PHE CE1  C  Y N 357 
PHE CE2  C  Y N 358 
PHE CZ   C  Y N 359 
PHE OXT  O  N N 360 
PHE H    H  N N 361 
PHE H2   H  N N 362 
PHE HA   H  N N 363 
PHE HB2  H  N N 364 
PHE HB3  H  N N 365 
PHE HD1  H  N N 366 
PHE HD2  H  N N 367 
PHE HE1  H  N N 368 
PHE HE2  H  N N 369 
PHE HZ   H  N N 370 
PHE HXT  H  N N 371 
PRO N    N  N N 372 
PRO CA   C  N S 373 
PRO C    C  N N 374 
PRO O    O  N N 375 
PRO CB   C  N N 376 
PRO CG   C  N N 377 
PRO CD   C  N N 378 
PRO OXT  O  N N 379 
PRO H    H  N N 380 
PRO HA   H  N N 381 
PRO HB2  H  N N 382 
PRO HB3  H  N N 383 
PRO HG2  H  N N 384 
PRO HG3  H  N N 385 
PRO HD2  H  N N 386 
PRO HD3  H  N N 387 
PRO HXT  H  N N 388 
SER N    N  N N 389 
SER CA   C  N S 390 
SER C    C  N N 391 
SER O    O  N N 392 
SER CB   C  N N 393 
SER OG   O  N N 394 
SER OXT  O  N N 395 
SER H    H  N N 396 
SER H2   H  N N 397 
SER HA   H  N N 398 
SER HB2  H  N N 399 
SER HB3  H  N N 400 
SER HG   H  N N 401 
SER HXT  H  N N 402 
THR N    N  N N 403 
THR CA   C  N S 404 
THR C    C  N N 405 
THR O    O  N N 406 
THR CB   C  N R 407 
THR OG1  O  N N 408 
THR CG2  C  N N 409 
THR OXT  O  N N 410 
THR H    H  N N 411 
THR H2   H  N N 412 
THR HA   H  N N 413 
THR HB   H  N N 414 
THR HG1  H  N N 415 
THR HG21 H  N N 416 
THR HG22 H  N N 417 
THR HG23 H  N N 418 
THR HXT  H  N N 419 
TRP N    N  N N 420 
TRP CA   C  N S 421 
TRP C    C  N N 422 
TRP O    O  N N 423 
TRP CB   C  N N 424 
TRP CG   C  Y N 425 
TRP CD1  C  Y N 426 
TRP CD2  C  Y N 427 
TRP NE1  N  Y N 428 
TRP CE2  C  Y N 429 
TRP CE3  C  Y N 430 
TRP CZ2  C  Y N 431 
TRP CZ3  C  Y N 432 
TRP CH2  C  Y N 433 
TRP OXT  O  N N 434 
TRP H    H  N N 435 
TRP H2   H  N N 436 
TRP HA   H  N N 437 
TRP HB2  H  N N 438 
TRP HB3  H  N N 439 
TRP HD1  H  N N 440 
TRP HE1  H  N N 441 
TRP HE3  H  N N 442 
TRP HZ2  H  N N 443 
TRP HZ3  H  N N 444 
TRP HH2  H  N N 445 
TRP HXT  H  N N 446 
TYR N    N  N N 447 
TYR CA   C  N S 448 
TYR C    C  N N 449 
TYR O    O  N N 450 
TYR CB   C  N N 451 
TYR CG   C  Y N 452 
TYR CD1  C  Y N 453 
TYR CD2  C  Y N 454 
TYR CE1  C  Y N 455 
TYR CE2  C  Y N 456 
TYR CZ   C  Y N 457 
TYR OH   O  N N 458 
TYR OXT  O  N N 459 
TYR H    H  N N 460 
TYR H2   H  N N 461 
TYR HA   H  N N 462 
TYR HB2  H  N N 463 
TYR HB3  H  N N 464 
TYR HD1  H  N N 465 
TYR HD2  H  N N 466 
TYR HE1  H  N N 467 
TYR HE2  H  N N 468 
TYR HH   H  N N 469 
TYR HXT  H  N N 470 
VAL N    N  N N 471 
VAL CA   C  N S 472 
VAL C    C  N N 473 
VAL O    O  N N 474 
VAL CB   C  N N 475 
VAL CG1  C  N N 476 
VAL CG2  C  N N 477 
VAL OXT  O  N N 478 
VAL H    H  N N 479 
VAL H2   H  N N 480 
VAL HA   H  N N 481 
VAL HB   H  N N 482 
VAL HG11 H  N N 483 
VAL HG12 H  N N 484 
VAL HG13 H  N N 485 
VAL HG21 H  N N 486 
VAL HG22 H  N N 487 
VAL HG23 H  N N 488 
VAL HXT  H  N N 489 
# 
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  
ASC C1  C2   sing N N 39  
ASC C1  O1   doub N N 40  
ASC C1  O4   sing N N 41  
ASC C2  C3   doub N N 42  
ASC C2  O2   sing N N 43  
ASC C3  C4   sing N N 44  
ASC C3  O3   sing N N 45  
ASC C4  C5   sing N N 46  
ASC C4  O4   sing N N 47  
ASC C4  H4   sing N N 48  
ASC C5  C6   sing N N 49  
ASC C5  O5   sing N N 50  
ASC C5  H5   sing N N 51  
ASC C6  O6   sing N N 52  
ASC C6  H61  sing N N 53  
ASC C6  H62  sing N N 54  
ASC O2  HO2  sing N N 55  
ASC O3  HO3  sing N N 56  
ASC O5  HO5  sing N N 57  
ASC O6  HO6  sing N N 58  
ASN N   CA   sing N N 59  
ASN N   H    sing N N 60  
ASN N   H2   sing N N 61  
ASN CA  C    sing N N 62  
ASN CA  CB   sing N N 63  
ASN CA  HA   sing N N 64  
ASN C   O    doub N N 65  
ASN C   OXT  sing N N 66  
ASN CB  CG   sing N N 67  
ASN CB  HB2  sing N N 68  
ASN CB  HB3  sing N N 69  
ASN CG  OD1  doub N N 70  
ASN CG  ND2  sing N N 71  
ASN ND2 HD21 sing N N 72  
ASN ND2 HD22 sing N N 73  
ASN OXT HXT  sing N N 74  
ASP N   CA   sing N N 75  
ASP N   H    sing N N 76  
ASP N   H2   sing N N 77  
ASP CA  C    sing N N 78  
ASP CA  CB   sing N N 79  
ASP CA  HA   sing N N 80  
ASP C   O    doub N N 81  
ASP C   OXT  sing N N 82  
ASP CB  CG   sing N N 83  
ASP CB  HB2  sing N N 84  
ASP CB  HB3  sing N N 85  
ASP CG  OD1  doub N N 86  
ASP CG  OD2  sing N N 87  
ASP OD2 HD2  sing N N 88  
ASP OXT HXT  sing N N 89  
CYS N   CA   sing N N 90  
CYS N   H    sing N N 91  
CYS N   H2   sing N N 92  
CYS CA  C    sing N N 93  
CYS CA  CB   sing N N 94  
CYS CA  HA   sing N N 95  
CYS C   O    doub N N 96  
CYS C   OXT  sing N N 97  
CYS CB  SG   sing N N 98  
CYS CB  HB2  sing N N 99  
CYS CB  HB3  sing N N 100 
CYS SG  HG   sing N N 101 
CYS OXT HXT  sing N N 102 
GLN N   CA   sing N N 103 
GLN N   H    sing N N 104 
GLN N   H2   sing N N 105 
GLN CA  C    sing N N 106 
GLN CA  CB   sing N N 107 
GLN CA  HA   sing N N 108 
GLN C   O    doub N N 109 
GLN C   OXT  sing N N 110 
GLN CB  CG   sing N N 111 
GLN CB  HB2  sing N N 112 
GLN CB  HB3  sing N N 113 
GLN CG  CD   sing N N 114 
GLN CG  HG2  sing N N 115 
GLN CG  HG3  sing N N 116 
GLN CD  OE1  doub N N 117 
GLN CD  NE2  sing N N 118 
GLN NE2 HE21 sing N N 119 
GLN NE2 HE22 sing N N 120 
GLN OXT HXT  sing N N 121 
GLU N   CA   sing N N 122 
GLU N   H    sing N N 123 
GLU N   H2   sing N N 124 
GLU CA  C    sing N N 125 
GLU CA  CB   sing N N 126 
GLU CA  HA   sing N N 127 
GLU C   O    doub N N 128 
GLU C   OXT  sing N N 129 
GLU CB  CG   sing N N 130 
GLU CB  HB2  sing N N 131 
GLU CB  HB3  sing N N 132 
GLU CG  CD   sing N N 133 
GLU CG  HG2  sing N N 134 
GLU CG  HG3  sing N N 135 
GLU CD  OE1  doub N N 136 
GLU CD  OE2  sing N N 137 
GLU OE2 HE2  sing N N 138 
GLU OXT HXT  sing N N 139 
GLY N   CA   sing N N 140 
GLY N   H    sing N N 141 
GLY N   H2   sing N N 142 
GLY CA  C    sing N N 143 
GLY CA  HA2  sing N N 144 
GLY CA  HA3  sing N N 145 
GLY C   O    doub N N 146 
GLY C   OXT  sing N N 147 
GLY OXT HXT  sing N N 148 
HEC FE  NA   sing N N 149 
HEC FE  NB   sing N N 150 
HEC FE  NC   sing N N 151 
HEC FE  ND   sing N N 152 
HEC CHA C1A  doub N N 153 
HEC CHA C4D  sing N N 154 
HEC CHA HHA  sing N N 155 
HEC CHB C4A  doub N N 156 
HEC CHB C1B  sing N N 157 
HEC CHB HHB  sing N N 158 
HEC CHC C4B  doub N N 159 
HEC CHC C1C  sing N N 160 
HEC CHC HHC  sing N N 161 
HEC CHD C4C  doub N N 162 
HEC CHD C1D  sing N N 163 
HEC CHD HHD  sing N N 164 
HEC NA  C1A  sing Y N 165 
HEC NA  C4A  sing Y N 166 
HEC C1A C2A  sing Y N 167 
HEC C2A C3A  doub Y N 168 
HEC C2A CAA  sing N N 169 
HEC C3A C4A  sing Y N 170 
HEC C3A CMA  sing N N 171 
HEC CMA HMA1 sing N N 172 
HEC CMA HMA2 sing N N 173 
HEC CMA HMA3 sing N N 174 
HEC CAA CBA  sing N N 175 
HEC CAA HAA1 sing N N 176 
HEC CAA HAA2 sing N N 177 
HEC CBA CGA  sing N N 178 
HEC CBA HBA1 sing N N 179 
HEC CBA HBA2 sing N N 180 
HEC CGA O1A  doub N N 181 
HEC CGA O2A  sing N N 182 
HEC O2A H2A  sing N N 183 
HEC NB  C1B  sing Y N 184 
HEC NB  C4B  sing Y N 185 
HEC C1B C2B  doub Y N 186 
HEC C2B C3B  sing Y N 187 
HEC C2B CMB  sing N N 188 
HEC C3B C4B  sing Y N 189 
HEC C3B CAB  doub N E 190 
HEC CMB HMB1 sing N N 191 
HEC CMB HMB2 sing N N 192 
HEC CMB HMB3 sing N N 193 
HEC CAB CBB  sing N N 194 
HEC CAB HAB  sing N N 195 
HEC CBB HBB1 sing N N 196 
HEC CBB HBB2 sing N N 197 
HEC CBB HBB3 sing N N 198 
HEC NC  C1C  sing Y N 199 
HEC NC  C4C  sing Y N 200 
HEC C1C C2C  doub Y N 201 
HEC C2C C3C  sing Y N 202 
HEC C2C CMC  sing N N 203 
HEC C3C C4C  sing Y N 204 
HEC C3C CAC  doub N E 205 
HEC CMC HMC1 sing N N 206 
HEC CMC HMC2 sing N N 207 
HEC CMC HMC3 sing N N 208 
HEC CAC CBC  sing N N 209 
HEC CAC HAC  sing N N 210 
HEC CBC HBC1 sing N N 211 
HEC CBC HBC2 sing N N 212 
HEC CBC HBC3 sing N N 213 
HEC ND  C1D  sing Y N 214 
HEC ND  C4D  sing Y N 215 
HEC C1D C2D  doub Y N 216 
HEC C2D C3D  sing Y N 217 
HEC C2D CMD  sing N N 218 
HEC C3D C4D  doub Y N 219 
HEC C3D CAD  sing N N 220 
HEC CMD HMD1 sing N N 221 
HEC CMD HMD2 sing N N 222 
HEC CMD HMD3 sing N N 223 
HEC CAD CBD  sing N N 224 
HEC CAD HAD1 sing N N 225 
HEC CAD HAD2 sing N N 226 
HEC CBD CGD  sing N N 227 
HEC CBD HBD1 sing N N 228 
HEC CBD HBD2 sing N N 229 
HEC CGD O1D  doub N N 230 
HEC CGD O2D  sing N N 231 
HEC O2D H2D  sing N N 232 
HIS N   CA   sing N N 233 
HIS N   H    sing N N 234 
HIS N   H2   sing N N 235 
HIS CA  C    sing N N 236 
HIS CA  CB   sing N N 237 
HIS CA  HA   sing N N 238 
HIS C   O    doub N N 239 
HIS C   OXT  sing N N 240 
HIS CB  CG   sing N N 241 
HIS CB  HB2  sing N N 242 
HIS CB  HB3  sing N N 243 
HIS CG  ND1  sing Y N 244 
HIS CG  CD2  doub Y N 245 
HIS ND1 CE1  doub Y N 246 
HIS ND1 HD1  sing N N 247 
HIS CD2 NE2  sing Y N 248 
HIS CD2 HD2  sing N N 249 
HIS CE1 NE2  sing Y N 250 
HIS CE1 HE1  sing N N 251 
HIS NE2 HE2  sing N N 252 
HIS OXT HXT  sing N N 253 
HOH O   H1   sing N N 254 
HOH O   H2   sing N N 255 
ILE N   CA   sing N N 256 
ILE N   H    sing N N 257 
ILE N   H2   sing N N 258 
ILE CA  C    sing N N 259 
ILE CA  CB   sing N N 260 
ILE CA  HA   sing N N 261 
ILE C   O    doub N N 262 
ILE C   OXT  sing N N 263 
ILE CB  CG1  sing N N 264 
ILE CB  CG2  sing N N 265 
ILE CB  HB   sing N N 266 
ILE CG1 CD1  sing N N 267 
ILE CG1 HG12 sing N N 268 
ILE CG1 HG13 sing N N 269 
ILE CG2 HG21 sing N N 270 
ILE CG2 HG22 sing N N 271 
ILE CG2 HG23 sing N N 272 
ILE CD1 HD11 sing N N 273 
ILE CD1 HD12 sing N N 274 
ILE CD1 HD13 sing N N 275 
ILE OXT HXT  sing N N 276 
LEU N   CA   sing N N 277 
LEU N   H    sing N N 278 
LEU N   H2   sing N N 279 
LEU CA  C    sing N N 280 
LEU CA  CB   sing N N 281 
LEU CA  HA   sing N N 282 
LEU C   O    doub N N 283 
LEU C   OXT  sing N N 284 
LEU CB  CG   sing N N 285 
LEU CB  HB2  sing N N 286 
LEU CB  HB3  sing N N 287 
LEU CG  CD1  sing N N 288 
LEU CG  CD2  sing N N 289 
LEU CG  HG   sing N N 290 
LEU CD1 HD11 sing N N 291 
LEU CD1 HD12 sing N N 292 
LEU CD1 HD13 sing N N 293 
LEU CD2 HD21 sing N N 294 
LEU CD2 HD22 sing N N 295 
LEU CD2 HD23 sing N N 296 
LEU OXT HXT  sing N N 297 
LYS N   CA   sing N N 298 
LYS N   H    sing N N 299 
LYS N   H2   sing N N 300 
LYS CA  C    sing N N 301 
LYS CA  CB   sing N N 302 
LYS CA  HA   sing N N 303 
LYS C   O    doub N N 304 
LYS C   OXT  sing N N 305 
LYS CB  CG   sing N N 306 
LYS CB  HB2  sing N N 307 
LYS CB  HB3  sing N N 308 
LYS CG  CD   sing N N 309 
LYS CG  HG2  sing N N 310 
LYS CG  HG3  sing N N 311 
LYS CD  CE   sing N N 312 
LYS CD  HD2  sing N N 313 
LYS CD  HD3  sing N N 314 
LYS CE  NZ   sing N N 315 
LYS CE  HE2  sing N N 316 
LYS CE  HE3  sing N N 317 
LYS NZ  HZ1  sing N N 318 
LYS NZ  HZ2  sing N N 319 
LYS NZ  HZ3  sing N N 320 
LYS OXT HXT  sing N N 321 
MET N   CA   sing N N 322 
MET N   H    sing N N 323 
MET N   H2   sing N N 324 
MET CA  C    sing N N 325 
MET CA  CB   sing N N 326 
MET CA  HA   sing N N 327 
MET C   O    doub N N 328 
MET C   OXT  sing N N 329 
MET CB  CG   sing N N 330 
MET CB  HB2  sing N N 331 
MET CB  HB3  sing N N 332 
MET CG  SD   sing N N 333 
MET CG  HG2  sing N N 334 
MET CG  HG3  sing N N 335 
MET SD  CE   sing N N 336 
MET CE  HE1  sing N N 337 
MET CE  HE2  sing N N 338 
MET CE  HE3  sing N N 339 
MET OXT HXT  sing N N 340 
NO  N   O    doub N N 341 
PHE N   CA   sing N N 342 
PHE N   H    sing N N 343 
PHE N   H2   sing N N 344 
PHE CA  C    sing N N 345 
PHE CA  CB   sing N N 346 
PHE CA  HA   sing N N 347 
PHE C   O    doub N N 348 
PHE C   OXT  sing N N 349 
PHE CB  CG   sing N N 350 
PHE CB  HB2  sing N N 351 
PHE CB  HB3  sing N N 352 
PHE CG  CD1  doub Y N 353 
PHE CG  CD2  sing Y N 354 
PHE CD1 CE1  sing Y N 355 
PHE CD1 HD1  sing N N 356 
PHE CD2 CE2  doub Y N 357 
PHE CD2 HD2  sing N N 358 
PHE CE1 CZ   doub Y N 359 
PHE CE1 HE1  sing N N 360 
PHE CE2 CZ   sing Y N 361 
PHE CE2 HE2  sing N N 362 
PHE CZ  HZ   sing N N 363 
PHE OXT HXT  sing N N 364 
PRO N   CA   sing N N 365 
PRO N   CD   sing N N 366 
PRO N   H    sing N N 367 
PRO CA  C    sing N N 368 
PRO CA  CB   sing N N 369 
PRO CA  HA   sing N N 370 
PRO C   O    doub N N 371 
PRO C   OXT  sing N N 372 
PRO CB  CG   sing N N 373 
PRO CB  HB2  sing N N 374 
PRO CB  HB3  sing N N 375 
PRO CG  CD   sing N N 376 
PRO CG  HG2  sing N N 377 
PRO CG  HG3  sing N N 378 
PRO CD  HD2  sing N N 379 
PRO CD  HD3  sing N N 380 
PRO OXT HXT  sing N N 381 
SER N   CA   sing N N 382 
SER N   H    sing N N 383 
SER N   H2   sing N N 384 
SER CA  C    sing N N 385 
SER CA  CB   sing N N 386 
SER CA  HA   sing N N 387 
SER C   O    doub N N 388 
SER C   OXT  sing N N 389 
SER CB  OG   sing N N 390 
SER CB  HB2  sing N N 391 
SER CB  HB3  sing N N 392 
SER OG  HG   sing N N 393 
SER OXT HXT  sing N N 394 
THR N   CA   sing N N 395 
THR N   H    sing N N 396 
THR N   H2   sing N N 397 
THR CA  C    sing N N 398 
THR CA  CB   sing N N 399 
THR CA  HA   sing N N 400 
THR C   O    doub N N 401 
THR C   OXT  sing N N 402 
THR CB  OG1  sing N N 403 
THR CB  CG2  sing N N 404 
THR CB  HB   sing N N 405 
THR OG1 HG1  sing N N 406 
THR CG2 HG21 sing N N 407 
THR CG2 HG22 sing N N 408 
THR CG2 HG23 sing N N 409 
THR OXT HXT  sing N N 410 
TRP N   CA   sing N N 411 
TRP N   H    sing N N 412 
TRP N   H2   sing N N 413 
TRP CA  C    sing N N 414 
TRP CA  CB   sing N N 415 
TRP CA  HA   sing N N 416 
TRP C   O    doub N N 417 
TRP C   OXT  sing N N 418 
TRP CB  CG   sing N N 419 
TRP CB  HB2  sing N N 420 
TRP CB  HB3  sing N N 421 
TRP CG  CD1  doub Y N 422 
TRP CG  CD2  sing Y N 423 
TRP CD1 NE1  sing Y N 424 
TRP CD1 HD1  sing N N 425 
TRP CD2 CE2  doub Y N 426 
TRP CD2 CE3  sing Y N 427 
TRP NE1 CE2  sing Y N 428 
TRP NE1 HE1  sing N N 429 
TRP CE2 CZ2  sing Y N 430 
TRP CE3 CZ3  doub Y N 431 
TRP CE3 HE3  sing N N 432 
TRP CZ2 CH2  doub Y N 433 
TRP CZ2 HZ2  sing N N 434 
TRP CZ3 CH2  sing Y N 435 
TRP CZ3 HZ3  sing N N 436 
TRP CH2 HH2  sing N N 437 
TRP OXT HXT  sing N N 438 
TYR N   CA   sing N N 439 
TYR N   H    sing N N 440 
TYR N   H2   sing N N 441 
TYR CA  C    sing N N 442 
TYR CA  CB   sing N N 443 
TYR CA  HA   sing N N 444 
TYR C   O    doub N N 445 
TYR C   OXT  sing N N 446 
TYR CB  CG   sing N N 447 
TYR CB  HB2  sing N N 448 
TYR CB  HB3  sing N N 449 
TYR CG  CD1  doub Y N 450 
TYR CG  CD2  sing Y N 451 
TYR CD1 CE1  sing Y N 452 
TYR CD1 HD1  sing N N 453 
TYR CD2 CE2  doub Y N 454 
TYR CD2 HD2  sing N N 455 
TYR CE1 CZ   doub Y N 456 
TYR CE1 HE1  sing N N 457 
TYR CE2 CZ   sing Y N 458 
TYR CE2 HE2  sing N N 459 
TYR CZ  OH   sing N N 460 
TYR OH  HH   sing N N 461 
TYR OXT HXT  sing N N 462 
VAL N   CA   sing N N 463 
VAL N   H    sing N N 464 
VAL N   H2   sing N N 465 
VAL CA  C    sing N N 466 
VAL CA  CB   sing N N 467 
VAL CA  HA   sing N N 468 
VAL C   O    doub N N 469 
VAL C   OXT  sing N N 470 
VAL CB  CG1  sing N N 471 
VAL CB  CG2  sing N N 472 
VAL CB  HB   sing N N 473 
VAL CG1 HG11 sing N N 474 
VAL CG1 HG12 sing N N 475 
VAL CG1 HG13 sing N N 476 
VAL CG2 HG21 sing N N 477 
VAL CG2 HG22 sing N N 478 
VAL CG2 HG23 sing N N 479 
VAL OXT HXT  sing N N 480 
# 
_pdbx_audit_support.funding_organization   'Japan Society for the Promotion of Science (JSPS)' 
_pdbx_audit_support.country                Japan 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   5B3I 
_pdbx_initial_refinement_model.details          'Native state' 
# 
_atom_sites.entry_id                    8RKP 
_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]   0.011952 
_atom_sites.fract_transf_matrix[1][2]   0.006900 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   -0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.013800 
_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]   0.011332 
_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  
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   . ALA A 1 1   ? -9.020  19.466 -0.697  1.00 93.00  ? 2   ALA A N   1 
ATOM   2    C  CA  . ALA A 1 1   ? -10.346 19.904 -1.173  1.00 77.72  ? 2   ALA A CA  1 
ATOM   3    C  C   . ALA A 1 1   ? -10.865 21.011 -0.258  1.00 70.78  ? 2   ALA A C   1 
ATOM   4    O  O   . ALA A 1 1   ? -10.052 21.618 0.455   1.00 75.02  ? 2   ALA A O   1 
ATOM   5    C  CB  . ALA A 1 1   ? -11.289 18.730 -1.211  1.00 71.79  ? 2   ALA A CB  1 
ATOM   6    N  N   . LEU A 1 2   ? -12.171 21.258 -0.284  1.00 58.03  ? 3   LEU A N   1 
ATOM   7    C  CA  . LEU A 1 2   ? -12.733 22.371 0.513   1.00 48.03  ? 3   LEU A CA  1 
ATOM   8    C  C   . LEU A 1 2   ? -13.319 21.865 1.829   1.00 40.82  ? 3   LEU A C   1 
ATOM   9    O  O   . LEU A 1 2   ? -14.090 20.910 1.788   1.00 42.71  ? 3   LEU A O   1 
ATOM   10   C  CB  . LEU A 1 2   ? -13.821 23.072 -0.307  1.00 44.52  ? 3   LEU A CB  1 
ATOM   11   C  CG  . LEU A 1 2   ? -13.346 23.940 -1.468  1.00 47.41  ? 3   LEU A CG  1 
ATOM   12   C  CD1 . LEU A 1 2   ? -14.528 24.639 -2.117  1.00 45.89  ? 3   LEU A CD1 1 
ATOM   13   C  CD2 . LEU A 1 2   ? -12.325 24.959 -0.994  1.00 50.13  ? 3   LEU A CD2 1 
ATOM   14   N  N   . LYS A 1 3   ? -12.942 22.484 2.942   1.00 42.26  ? 4   LYS A N   1 
ATOM   15   C  CA  . LYS A 1 3   ? -13.584 22.189 4.249   1.00 42.14  ? 4   LYS A CA  1 
ATOM   16   C  C   . LYS A 1 3   ? -15.092 22.462 4.178   1.00 42.40  ? 4   LYS A C   1 
ATOM   17   O  O   . LYS A 1 3   ? -15.554 23.349 3.440   1.00 36.25  ? 4   LYS A O   1 
ATOM   18   C  CB  . LYS A 1 3   ? -13.089 23.137 5.338   1.00 50.39  ? 4   LYS A CB  1 
ATOM   19   C  CG  . LYS A 1 3   ? -11.626 23.035 5.747   1.00 63.52  ? 4   LYS A CG  1 
ATOM   20   C  CD  . LYS A 1 3   ? -11.263 24.082 6.809   1.00 74.99  ? 4   LYS A CD  1 
ATOM   21   C  CE  . LYS A 1 3   ? -11.960 25.421 6.604   1.00 77.19  ? 4   LYS A CE  1 
ATOM   22   N  NZ  . LYS A 1 3   ? -11.375 26.510 7.419   1.00 76.58  ? 4   LYS A NZ  1 
ATOM   23   N  N   . PRO A 1 4   ? -15.912 21.807 5.030   1.00 37.90  ? 5   PRO A N   1 
ATOM   24   C  CA  . PRO A 1 4   ? -17.334 22.131 5.104   1.00 36.16  ? 5   PRO A CA  1 
ATOM   25   C  C   . PRO A 1 4   ? -17.610 23.633 5.295   1.00 33.13  ? 5   PRO A C   1 
ATOM   26   O  O   . PRO A 1 4   ? -18.494 24.151 4.657   1.00 29.03  ? 5   PRO A O   1 
ATOM   27   C  CB  . PRO A 1 4   ? -17.806 21.248 6.265   1.00 37.28  ? 5   PRO A CB  1 
ATOM   28   C  CG  . PRO A 1 4   ? -16.919 20.037 6.121   1.00 39.29  ? 5   PRO A CG  1 
ATOM   29   C  CD  . PRO A 1 4   ? -15.553 20.653 5.879   1.00 40.86  ? 5   PRO A CD  1 
ATOM   30   N  N   . GLU A 1 5   ? -16.867 24.301 6.175   1.00 31.75  ? 6   GLU A N   1 
ATOM   31   C  CA  . GLU A 1 5   ? -17.082 25.726 6.494   1.00 31.38  ? 6   GLU A CA  1 
ATOM   32   C  C   . GLU A 1 5   ? -16.961 26.556 5.201   1.00 28.99  ? 6   GLU A C   1 
ATOM   33   O  O   . GLU A 1 5   ? -17.744 27.503 5.049   1.00 28.96  ? 6   GLU A O   1 
ATOM   34   C  CB  . GLU A 1 5   ? -16.053 26.194 7.526   1.00 37.34  ? 6   GLU A CB  1 
ATOM   35   C  CG  . GLU A 1 5   ? -16.148 27.695 7.834   1.00 49.33  ? 6   GLU A CG  1 
ATOM   36   C  CD  . GLU A 1 5   ? -15.153 28.277 8.835   1.00 54.68  ? 6   GLU A CD  1 
ATOM   37   O  OE1 . GLU A 1 5   ? -14.253 27.535 9.267   1.00 49.18  ? 6   GLU A OE1 1 
ATOM   38   O  OE2 . GLU A 1 5   ? -15.264 29.490 9.145   1.00 56.18  ? 6   GLU A OE2 1 
ATOM   39   N  N   . ASP A 1 6   ? -16.007 26.227 4.337   1.00 32.70  ? 7   ASP A N   1 
ATOM   40   C  CA  . ASP A 1 6   ? -15.742 26.939 3.057   1.00 33.30  ? 7   ASP A CA  1 
ATOM   41   C  C   . ASP A 1 6   ? -16.875 26.666 2.063   1.00 33.82  ? 7   ASP A C   1 
ATOM   42   O  O   . ASP A 1 6   ? -17.336 27.630 1.417   1.00 27.61  ? 7   ASP A O   1 
ATOM   43   C  CB  . ASP A 1 6   ? -14.339 26.605 2.549   1.00 40.01  ? 7   ASP A CB  1 
ATOM   44   C  CG  . ASP A 1 6   ? -13.286 27.206 3.471   1.00 44.23  ? 7   ASP A CG  1 
ATOM   45   O  OD1 . ASP A 1 6   ? -13.600 28.205 4.129   1.00 46.25  ? 7   ASP A OD1 1 
ATOM   46   O  OD2 . ASP A 1 6   ? -12.210 26.624 3.581   1.00 55.29  ? 7   ASP A OD2 1 
ATOM   47   N  N   . LYS A 1 7   ? -17.340 25.423 1.959   1.00 28.18  ? 8   LYS A N   1 
ATOM   48   C  CA  . LYS A 1 7   ? -18.512 25.089 1.106   1.00 30.85  ? 8   LYS A CA  1 
ATOM   49   C  C   . LYS A 1 7   ? -19.697 25.957 1.512   1.00 26.91  ? 8   LYS A C   1 
ATOM   50   O  O   . LYS A 1 7   ? -20.374 26.516 0.632   1.00 23.97  ? 8   LYS A O   1 
ATOM   51   C  CB  . LYS A 1 7   ? -18.849 23.606 1.214   1.00 31.69  ? 8   LYS A CB  1 
ATOM   52   C  CG  . LYS A 1 7   ? -17.821 22.708 0.564   1.00 33.19  ? 8   LYS A CG  1 
ATOM   53   C  CD  . LYS A 1 7   ? -18.233 21.276 0.549   1.00 32.52  ? 8   LYS A CD  1 
ATOM   54   C  CE  . LYS A 1 7   ? -17.198 20.413 -0.139  1.00 36.98  ? 8   LYS A CE  1 
ATOM   55   N  NZ  . LYS A 1 7   ? -17.527 18.976 -0.023  1.00 38.15  ? 8   LYS A NZ  1 
ATOM   56   N  N   . VAL A 1 8   ? -19.953 26.125 2.814   1.00 25.22  ? 9   VAL A N   1 
ATOM   57   C  CA  . VAL A 1 8   ? -21.145 26.900 3.233   1.00 26.50  ? 9   VAL A CA  1 
ATOM   58   C  C   . VAL A 1 8   ? -20.897 28.384 2.905   1.00 26.66  ? 9   VAL A C   1 
ATOM   59   O  O   . VAL A 1 8   ? -21.813 29.062 2.420   1.00 22.69  ? 9   VAL A O   1 
ATOM   60   C  CB  . VAL A 1 8   ? -21.452 26.655 4.722   1.00 24.44  ? 9   VAL A CB  1 
ATOM   61   C  CG1 . VAL A 1 8   ? -22.573 27.529 5.206   1.00 25.32  ? 9   VAL A CG1 1 
ATOM   62   C  CG2 . VAL A 1 8   ? -21.759 25.204 5.019   1.00 24.64  ? 9   VAL A CG2 1 
ATOM   63   N  N   . LYS A 1 9   ? -19.708 28.908 3.209   1.00 27.21  ? 10  LYS A N   1 
ATOM   64   C  CA  . LYS A 1 9   ? -19.391 30.342 2.960   1.00 28.30  ? 10  LYS A CA  1 
ATOM   65   C  C   . LYS A 1 9   ? -19.570 30.652 1.469   1.00 23.24  ? 10  LYS A C   1 
ATOM   66   O  O   . LYS A 1 9   ? -20.221 31.665 1.154   1.00 24.38  ? 10  LYS A O   1 
ATOM   67   C  CB  . LYS A 1 9   ? -17.949 30.700 3.343   1.00 31.18  ? 10  LYS A CB  1 
ATOM   68   C  CG  . LYS A 1 9   ? -17.720 30.943 4.829   1.00 41.52  ? 10  LYS A CG  1 
ATOM   69   C  CD  . LYS A 1 9   ? -16.340 31.523 5.210   1.00 45.19  ? 10  LYS A CD  1 
ATOM   70   C  CE  . LYS A 1 9   ? -16.225 31.694 6.719   1.00 49.78  ? 10  LYS A CE  1 
ATOM   71   N  NZ  . LYS A 1 9   ? -14.903 32.220 7.104   1.00 46.46  ? 10  LYS A NZ  1 
ATOM   72   N  N   . PHE A 1 10  ? -18.966 29.839 0.616   1.00 25.04  ? 11  PHE A N   1 
ATOM   73   C  CA  . PHE A 1 10  ? -18.964 30.022 -0.859  1.00 26.80  ? 11  PHE A CA  1 
ATOM   74   C  C   . PHE A 1 10  ? -20.388 29.905 -1.384  1.00 27.53  ? 11  PHE A C   1 
ATOM   75   O  O   . PHE A 1 10  ? -20.736 30.693 -2.249  1.00 23.46  ? 11  PHE A O   1 
ATOM   76   C  CB  . PHE A 1 10  ? -18.013 29.063 -1.582  1.00 27.99  ? 11  PHE A CB  1 
ATOM   77   C  CG  . PHE A 1 10  ? -16.537 29.284 -1.354  1.00 28.51  ? 11  PHE A CG  1 
ATOM   78   C  CD1 . PHE A 1 10  ? -16.011 30.557 -1.195  1.00 30.84  ? 11  PHE A CD1 1 
ATOM   79   C  CD2 . PHE A 1 10  ? -15.667 28.219 -1.302  1.00 28.56  ? 11  PHE A CD2 1 
ATOM   80   C  CE1 . PHE A 1 10  ? -14.647 30.748 -1.035  1.00 32.02  ? 11  PHE A CE1 1 
ATOM   81   C  CE2 . PHE A 1 10  ? -14.299 28.415 -1.149  1.00 30.92  ? 11  PHE A CE2 1 
ATOM   82   C  CZ  . PHE A 1 10  ? -13.797 29.681 -1.005  1.00 30.38  ? 11  PHE A CZ  1 
ATOM   83   N  N   . ARG A 1 11  ? -21.233 29.017 -0.857  1.00 25.43  ? 12  ARG A N   1 
ATOM   84   C  CA  . ARG A 1 11  ? -22.622 28.995 -1.407  1.00 25.08  ? 12  ARG A CA  1 
ATOM   85   C  C   . ARG A 1 11  ? -23.412 30.174 -0.869  1.00 22.61  ? 12  ARG A C   1 
ATOM   86   O  O   . ARG A 1 11  ? -24.138 30.777 -1.644  1.00 25.74  ? 12  ARG A O   1 
ATOM   87   C  CB  . ARG A 1 11  ? -23.296 27.634 -1.259  1.00 27.50  ? 12  ARG A CB  1 
ATOM   88   C  CG  . ARG A 1 11  ? -23.695 27.262 0.142   1.00 26.22  ? 12  ARG A CG  1 
ATOM   89   C  CD  . ARG A 1 11  ? -24.066 25.783 0.164   1.00 28.79  ? 12  ARG A CD  1 
ATOM   90   N  NE  . ARG A 1 11  ? -24.570 25.406 1.485   1.00 25.37  ? 12  ARG A NE  1 
ATOM   91   C  CZ  . ARG A 1 11  ? -24.413 24.215 2.025   1.00 26.09  ? 12  ARG A CZ  1 
ATOM   92   N  NH1 . ARG A 1 11  ? -23.764 23.258 1.383   1.00 26.41  ? 12  ARG A NH1 1 
ATOM   93   N  NH2 . ARG A 1 11  ? -24.918 23.984 3.216   1.00 27.04  ? 12  ARG A NH2 1 
ATOM   94   N  N   . GLN A 1 12  ? -23.285 30.539 0.399   1.00 22.07  ? 13  GLN A N   1 
ATOM   95   C  CA  . GLN A 1 12  ? -23.969 31.742 0.949   1.00 21.88  ? 13  GLN A CA  1 
ATOM   96   C  C   . GLN A 1 12  ? -23.533 33.006 0.206   1.00 21.06  ? 13  GLN A C   1 
ATOM   97   O  O   . GLN A 1 12  ? -24.398 33.841 -0.123  1.00 21.40  ? 13  GLN A O   1 
ATOM   98   C  CB  . GLN A 1 12  ? -23.666 31.892 2.441   1.00 23.66  ? 13  GLN A CB  1 
ATOM   99   C  CG  . GLN A 1 12  ? -24.389 30.838 3.263   1.00 25.37  ? 13  GLN A CG  1 
ATOM   100  C  CD  . GLN A 1 12  ? -24.040 30.833 4.736   1.00 29.59  ? 13  GLN A CD  1 
ATOM   101  O  OE1 . GLN A 1 12  ? -22.997 31.332 5.162   1.00 25.98  ? 13  GLN A OE1 1 
ATOM   102  N  NE2 . GLN A 1 12  ? -24.910 30.202 5.517   1.00 24.95  ? 13  GLN A NE2 1 
ATOM   103  N  N   . ALA A 1 13  ? -22.236 33.115 -0.085  1.00 21.87  ? 14  ALA A N   1 
ATOM   104  C  CA  . ALA A 1 13  ? -21.685 34.282 -0.805  1.00 22.86  ? 14  ALA A CA  1 
ATOM   105  C  C   . ALA A 1 13  ? -22.269 34.318 -2.226  1.00 22.32  ? 14  ALA A C   1 
ATOM   106  O  O   . ALA A 1 13  ? -22.686 35.446 -2.680  1.00 22.19  ? 14  ALA A O   1 
ATOM   107  C  CB  . ALA A 1 13  ? -20.178 34.240 -0.825  1.00 22.01  ? 14  ALA A CB  1 
ATOM   108  N  N   . SER A 1 14  ? -22.319 33.154 -2.902  1.00 22.38  ? 15  SER A N   1 
ATOM   109  C  CA  . SER A 1 14  ? -22.846 33.069 -4.289  1.00 23.84  ? 15  SER A CA  1 
ATOM   110  C  C   . SER A 1 14  ? -24.296 33.537 -4.298  1.00 22.53  ? 15  SER A C   1 
ATOM   111  O  O   . SER A 1 14  ? -24.667 34.302 -5.214  1.00 20.84  ? 15  SER A O   1 
ATOM   112  C  CB  . SER A 1 14  ? -22.711 31.705 -4.888  1.00 24.10  ? 15  SER A CB  1 
ATOM   113  O  OG  . SER A 1 14  ? -21.366 31.402 -5.149  1.00 26.15  ? 15  SER A OG  1 
ATOM   114  N  N   . TYR A 1 15  ? -25.138 33.027 -3.381  1.00 20.94  ? 16  TYR A N   1 
ATOM   115  C  CA  . TYR A 1 15  ? -26.570 33.391 -3.359  1.00 21.44  ? 16  TYR A CA  1 
ATOM   116  C  C   . TYR A 1 15  ? -26.721 34.875 -3.023  1.00 23.80  ? 16  TYR A C   1 
ATOM   117  O  O   . TYR A 1 15  ? -27.566 35.539 -3.631  1.00 21.83  ? 16  TYR A O   1 
ATOM   118  C  CB  . TYR A 1 15  ? -27.378 32.512 -2.388  1.00 23.10  ? 16  TYR A CB  1 
ATOM   119  C  CG  . TYR A 1 15  ? -27.502 31.071 -2.815  1.00 23.28  ? 16  TYR A CG  1 
ATOM   120  C  CD1 . TYR A 1 15  ? -28.013 30.750 -4.067  1.00 23.53  ? 16  TYR A CD1 1 
ATOM   121  C  CD2 . TYR A 1 15  ? -27.124 30.031 -1.982  1.00 25.97  ? 16  TYR A CD2 1 
ATOM   122  C  CE1 . TYR A 1 15  ? -28.132 29.441 -4.481  1.00 25.64  ? 16  TYR A CE1 1 
ATOM   123  C  CE2 . TYR A 1 15  ? -27.237 28.712 -2.375  1.00 24.53  ? 16  TYR A CE2 1 
ATOM   124  C  CZ  . TYR A 1 15  ? -27.750 28.425 -3.627  1.00 25.30  ? 16  TYR A CZ  1 
ATOM   125  O  OH  . TYR A 1 15  ? -27.817 27.141 -4.063  1.00 28.57  ? 16  TYR A OH  1 
ATOM   126  N  N   . THR A 1 16  ? -25.989 35.384 -2.028  1.00 20.33  ? 17  THR A N   1 
ATOM   127  C  CA  . THR A 1 16  ? -26.057 36.827 -1.670  1.00 20.23  ? 17  THR A CA  1 
ATOM   128  C  C   . THR A 1 16  ? -25.641 37.708 -2.843  1.00 18.51  ? 17  THR A C   1 
ATOM   129  O  O   . THR A 1 16  ? -26.263 38.753 -3.050  1.00 21.71  ? 17  THR A O   1 
ATOM   130  C  CB  . THR A 1 16  ? -25.178 37.140 -0.445  1.00 24.33  ? 17  THR A CB  1 
ATOM   131  O  OG1 . THR A 1 16  ? -25.766 36.347 0.587   1.00 30.21  ? 17  THR A OG1 1 
ATOM   132  C  CG2 . THR A 1 16  ? -25.138 38.614 -0.103  1.00 22.63  ? 17  THR A CG2 1 
ATOM   133  N  N   . THR A 1 17  ? -24.625 37.310 -3.587  1.00 19.81  ? 18  THR A N   1 
ATOM   134  C  CA  . THR A 1 17  ? -24.189 38.077 -4.793  1.00 20.93  ? 18  THR A CA  1 
ATOM   135  C  C   . THR A 1 17  ? -25.329 38.098 -5.825  1.00 21.37  ? 18  THR A C   1 
ATOM   136  O  O   . THR A 1 17  ? -25.605 39.163 -6.383  1.00 21.02  ? 18  THR A O   1 
ATOM   137  C  CB  . THR A 1 17  ? -22.912 37.470 -5.369  1.00 21.58  ? 18  THR A CB  1 
ATOM   138  O  OG1 . THR A 1 17  ? -21.935 37.512 -4.321  1.00 23.08  ? 18  THR A OG1 1 
ATOM   139  C  CG2 . THR A 1 17  ? -22.455 38.200 -6.616  1.00 21.90  ? 18  THR A CG2 1 
ATOM   140  N  N   . MET A 1 18  ? -25.978 36.952 -6.087  1.00 21.88  ? 19  MET A N   1 
ATOM   141  C  CA  . MET A 1 18  ? -27.132 36.925 -7.020  1.00 21.90  ? 19  MET A CA  1 
ATOM   142  C  C   . MET A 1 18  ? -28.245 37.830 -6.508  1.00 24.12  ? 19  MET A C   1 
ATOM   143  O  O   . MET A 1 18  ? -28.832 38.496 -7.328  1.00 24.46  ? 19  MET A O   1 
ATOM   144  C  CB  . MET A 1 18  ? -27.659 35.515 -7.246  1.00 21.95  ? 19  MET A CB  1 
ATOM   145  C  CG  . MET A 1 18  ? -26.666 34.690 -8.027  1.00 24.04  ? 19  MET A CG  1 
ATOM   146  S  SD  . MET A 1 18  ? -27.322 33.199 -8.816  1.00 24.75  ? 19  MET A SD  1 
ATOM   147  C  CE  . MET A 1 18  ? -27.744 32.240 -7.352  1.00 25.60  ? 19  MET A CE  1 
ATOM   148  N  N   . ALA A 1 19  ? -28.503 37.859 -5.206  1.00 22.50  ? 20  ALA A N   1 
ATOM   149  C  CA  . ALA A 1 19  ? -29.582 38.676 -4.619  1.00 25.14  ? 20  ALA A CA  1 
ATOM   150  C  C   . ALA A 1 19  ? -29.304 40.164 -4.830  1.00 22.57  ? 20  ALA A C   1 
ATOM   151  O  O   . ALA A 1 19  ? -30.223 40.897 -5.228  1.00 23.53  ? 20  ALA A O   1 
ATOM   152  C  CB  . ALA A 1 19  ? -29.757 38.332 -3.157  1.00 26.76  ? 20  ALA A CB  1 
ATOM   153  N  N   . TRP A 1 20  ? -28.070 40.610 -4.654  1.00 23.85  ? 21  TRP A N   1 
ATOM   154  C  CA  . TRP A 1 20  ? -27.736 42.031 -4.949  1.00 25.06  ? 21  TRP A CA  1 
ATOM   155  C  C   . TRP A 1 20  ? -28.110 42.361 -6.406  1.00 23.07  ? 21  TRP A C   1 
ATOM   156  O  O   . TRP A 1 20  ? -28.807 43.356 -6.655  1.00 23.85  ? 21  TRP A O   1 
ATOM   157  C  CB  . TRP A 1 20  ? -26.255 42.329 -4.657  1.00 24.19  ? 21  TRP A CB  1 
ATOM   158  C  CG  . TRP A 1 20  ? -25.918 43.740 -5.004  1.00 26.91  ? 21  TRP A CG  1 
ATOM   159  C  CD1 . TRP A 1 20  ? -26.628 44.849 -4.650  1.00 28.91  ? 21  TRP A CD1 1 
ATOM   160  C  CD2 . TRP A 1 20  ? -24.829 44.206 -5.812  1.00 24.51  ? 21  TRP A CD2 1 
ATOM   161  N  NE1 . TRP A 1 20  ? -26.046 45.968 -5.177  1.00 27.83  ? 21  TRP A NE1 1 
ATOM   162  C  CE2 . TRP A 1 20  ? -24.922 45.612 -5.856  1.00 27.52  ? 21  TRP A CE2 1 
ATOM   163  C  CE3 . TRP A 1 20  ? -23.742 43.585 -6.422  1.00 28.05  ? 21  TRP A CE3 1 
ATOM   164  C  CZ2 . TRP A 1 20  ? -24.013 46.393 -6.564  1.00 28.82  ? 21  TRP A CZ2 1 
ATOM   165  C  CZ3 . TRP A 1 20  ? -22.853 44.357 -7.139  1.00 28.46  ? 21  TRP A CZ3 1 
ATOM   166  C  CH2 . TRP A 1 20  ? -22.995 45.737 -7.205  1.00 28.29  ? 21  TRP A CH2 1 
ATOM   167  N  N   . ASN A 1 21  ? -27.724 41.510 -7.345  1.00 22.10  ? 22  ASN A N   1 
ATOM   168  C  CA  . ASN A 1 21  ? -27.883 41.725 -8.812  1.00 22.99  ? 22  ASN A CA  1 
ATOM   169  C  C   . ASN A 1 21  ? -29.356 41.582 -9.209  1.00 24.49  ? 22  ASN A C   1 
ATOM   170  O  O   . ASN A 1 21  ? -29.796 42.390 -9.985  1.00 23.63  ? 22  ASN A O   1 
ATOM   171  C  CB  . ASN A 1 21  ? -26.905 40.841 -9.566  1.00 22.47  ? 22  ASN A CB  1 
ATOM   172  C  CG  . ASN A 1 21  ? -25.498 41.415 -9.480  1.00 24.23  ? 22  ASN A CG  1 
ATOM   173  O  OD1 . ASN A 1 21  ? -25.193 42.434 -10.113 1.00 25.89  ? 22  ASN A OD1 1 
ATOM   174  N  ND2 . ASN A 1 21  ? -24.663 40.826 -8.647  1.00 24.77  ? 22  ASN A ND2 1 
ATOM   175  N  N   . MET A 1 22  ? -30.110 40.701 -8.549  1.00 22.92  ? 23  MET A N   1 
ATOM   176  C  CA  . MET A 1 22  ? -31.570 40.545 -8.736  1.00 24.40  ? 23  MET A CA  1 
ATOM   177  C  C   . MET A 1 22  ? -32.282 41.824 -8.281  1.00 25.25  ? 23  MET A C   1 
ATOM   178  O  O   . MET A 1 22  ? -33.163 42.289 -9.006  1.00 25.69  ? 23  MET A O   1 
ATOM   179  C  CB  . MET A 1 22  ? -32.114 39.341 -7.970  1.00 24.40  ? 23  MET A CB  1 
ATOM   180  C  CG  . MET A 1 22  ? -31.739 38.034 -8.582  1.00 25.80  ? 23  MET A CG  1 
ATOM   181  S  SD  . MET A 1 22  ? -32.624 37.572 -10.119 1.00 28.77  ? 23  MET A SD  1 
ATOM   182  C  CE  . MET A 1 22  ? -34.268 37.239 -9.487  1.00 31.72  ? 23  MET A CE  1 
ATOM   183  N  N   . GLY A 1 23  ? -31.865 42.409 -7.161  1.00 29.36  ? 24  GLY A N   1 
ATOM   184  C  CA  . GLY A 1 23  ? -32.461 43.643 -6.634  1.00 26.11  ? 24  GLY A CA  1 
ATOM   185  C  C   . GLY A 1 23  ? -32.252 44.778 -7.600  1.00 25.70  ? 24  GLY A C   1 
ATOM   186  O  O   . GLY A 1 23  ? -33.156 45.630 -7.736  1.00 27.77  ? 24  GLY A O   1 
ATOM   187  N  N   . LYS A 1 24  ? -31.091 44.841 -8.238  1.00 27.03  ? 25  LYS A N   1 
ATOM   188  C  CA  . LYS A 1 24  ? -30.820 45.925 -9.207  1.00 28.74  ? 25  LYS A CA  1 
ATOM   189  C  C   . LYS A 1 24  ? -31.759 45.771 -10.407 1.00 29.56  ? 25  LYS A C   1 
ATOM   190  O  O   . LYS A 1 24  ? -32.260 46.787 -10.909 1.00 29.45  ? 25  LYS A O   1 
ATOM   191  C  CB  . LYS A 1 24  ? -29.365 45.942 -9.660  1.00 30.25  ? 25  LYS A CB  1 
ATOM   192  C  CG  . LYS A 1 24  ? -28.360 46.403 -8.610  1.00 33.69  ? 25  LYS A CG  1 
ATOM   193  C  CD  . LYS A 1 24  ? -26.957 46.576 -9.173  1.00 32.01  ? 25  LYS A CD  1 
ATOM   194  C  CE  . LYS A 1 24  ? -26.182 45.284 -9.267  1.00 34.62  ? 25  LYS A CE  1 
ATOM   195  N  NZ  . LYS A 1 24  ? -24.970 45.352 -10.124 1.00 34.54  ? 25  LYS A NZ  1 
ATOM   196  N  N   . ILE A 1 25  ? -31.954 44.551 -10.893 1.00 26.22  ? 26  ILE A N   1 
ATOM   197  C  CA  . ILE A 1 25  ? -32.883 44.355 -12.034 1.00 26.30  ? 26  ILE A CA  1 
ATOM   198  C  C   . ILE A 1 25  ? -34.294 44.730 -11.573 1.00 27.02  ? 26  ILE A C   1 
ATOM   199  O  O   . ILE A 1 25  ? -34.954 45.446 -12.293 1.00 29.26  ? 26  ILE A O   1 
ATOM   200  C  CB  . ILE A 1 25  ? -32.800 42.938 -12.605 1.00 25.48  ? 26  ILE A CB  1 
ATOM   201  C  CG1 . ILE A 1 25  ? -31.399 42.633 -13.109 1.00 23.97  ? 26  ILE A CG1 1 
ATOM   202  C  CG2 . ILE A 1 25  ? -33.841 42.770 -13.699 1.00 27.13  ? 26  ILE A CG2 1 
ATOM   203  C  CD1 . ILE A 1 25  ? -31.131 41.188 -13.367 1.00 25.09  ? 26  ILE A CD1 1 
ATOM   204  N  N   . LYS A 1 26  ? -34.729 44.281 -10.395 1.00 30.05  ? 27  LYS A N   1 
ATOM   205  C  CA  . LYS A 1 26  ? -36.086 44.574 -9.877  1.00 31.42  ? 27  LYS A CA  1 
ATOM   206  C  C   . LYS A 1 26  ? -36.280 46.087 -9.819  1.00 33.99  ? 27  LYS A C   1 
ATOM   207  O  O   . LYS A 1 26  ? -37.312 46.580 -10.336 1.00 35.66  ? 27  LYS A O   1 
ATOM   208  C  CB  . LYS A 1 26  ? -36.302 43.964 -8.500  1.00 34.68  ? 27  LYS A CB  1 
ATOM   209  C  CG  . LYS A 1 26  ? -37.747 43.959 -8.038  1.00 36.98  ? 27  LYS A CG  1 
ATOM   210  C  CD  . LYS A 1 26  ? -37.898 43.489 -6.615  1.00 46.57  ? 27  LYS A CD  1 
ATOM   211  C  CE  . LYS A 1 26  ? -39.248 43.865 -6.035  1.00 53.75  ? 27  LYS A CE  1 
ATOM   212  N  NZ  . LYS A 1 26  ? -39.697 42.877 -5.029  1.00 60.31  ? 27  LYS A NZ  1 
ATOM   213  N  N   . ALA A 1 27  ? -35.294 46.820 -9.310  1.00 32.03  ? 28  ALA A N   1 
ATOM   214  C  CA  . ALA A 1 27  ? -35.390 48.297 -9.184  1.00 34.07  ? 28  ALA A CA  1 
ATOM   215  C  C   . ALA A 1 27  ? -35.611 48.931 -10.564 1.00 37.96  ? 28  ALA A C   1 
ATOM   216  O  O   . ALA A 1 27  ? -36.372 49.910 -10.652 1.00 40.59  ? 28  ALA A O   1 
ATOM   217  C  CB  . ALA A 1 27  ? -34.152 48.847 -8.519  1.00 33.75  ? 28  ALA A CB  1 
ATOM   218  N  N   . MET A 1 28  ? -34.953 48.425 -11.615 1.00 38.74  ? 29  MET A N   1 
ATOM   219  C  CA  . MET A 1 28  ? -34.952 49.080 -12.949 1.00 37.63  ? 29  MET A CA  1 
ATOM   220  C  C   . MET A 1 28  ? -36.139 48.639 -13.825 1.00 38.94  ? 29  MET A C   1 
ATOM   221  O  O   . MET A 1 28  ? -36.456 49.382 -14.771 1.00 41.09  ? 29  MET A O   1 
ATOM   222  C  CB  . MET A 1 28  ? -33.628 48.807 -13.671 1.00 39.56  ? 29  MET A CB  1 
ATOM   223  C  CG  . MET A 1 28  ? -32.443 49.505 -13.023 1.00 43.91  ? 29  MET A CG  1 
ATOM   224  S  SD  . MET A 1 28  ? -30.900 49.377 -13.986 1.00 50.38  ? 29  MET A SD  1 
ATOM   225  C  CE  . MET A 1 28  ? -30.197 47.881 -13.300 1.00 52.64  ? 29  MET A CE  1 
ATOM   226  N  N   . VAL A 1 29  ? -36.720 47.447 -13.643 1.00 35.70  ? 30  VAL A N   1 
ATOM   227  C  CA  . VAL A 1 29  ? -37.722 46.932 -14.631 1.00 37.16  ? 30  VAL A CA  1 
ATOM   228  C  C   . VAL A 1 29  ? -39.051 46.617 -13.956 1.00 36.00  ? 30  VAL A C   1 
ATOM   229  O  O   . VAL A 1 29  ? -40.003 46.350 -14.699 1.00 36.76  ? 30  VAL A O   1 
ATOM   230  C  CB  . VAL A 1 29  ? -37.259 45.704 -15.445 1.00 35.67  ? 30  VAL A CB  1 
ATOM   231  C  CG1 . VAL A 1 29  ? -35.850 45.863 -15.973 1.00 37.06  ? 30  VAL A CG1 1 
ATOM   232  C  CG2 . VAL A 1 29  ? -37.412 44.403 -14.676 1.00 35.08  ? 30  VAL A CG2 1 
ATOM   233  N  N   . VAL A 1 30  ? -39.104 46.532 -12.633 1.00 38.95  ? 31  VAL A N   1 
ATOM   234  C  CA  . VAL A 1 30  ? -40.374 46.218 -11.916 1.00 41.19  ? 31  VAL A CA  1 
ATOM   235  C  C   . VAL A 1 30  ? -40.838 47.455 -11.134 1.00 43.88  ? 31  VAL A C   1 
ATOM   236  O  O   . VAL A 1 30  ? -41.963 47.844 -11.324 1.00 50.80  ? 31  VAL A O   1 
ATOM   237  C  CB  . VAL A 1 30  ? -40.253 44.977 -11.018 1.00 42.04  ? 31  VAL A CB  1 
ATOM   238  C  CG1 . VAL A 1 30  ? -41.576 44.680 -10.298 1.00 43.67  ? 31  VAL A CG1 1 
ATOM   239  C  CG2 . VAL A 1 30  ? -39.774 43.759 -11.794 1.00 39.02  ? 31  VAL A CG2 1 
ATOM   240  N  N   . ASP A 1 31  ? -39.989 48.075 -10.325 1.00 42.10  ? 32  ASP A N   1 
ATOM   241  C  CA  . ASP A 1 31  ? -40.416 49.084 -9.315  1.00 46.02  ? 32  ASP A CA  1 
ATOM   242  C  C   . ASP A 1 31  ? -40.135 50.506 -9.804  1.00 47.78  ? 32  ASP A C   1 
ATOM   243  O  O   . ASP A 1 31  ? -40.594 51.464 -9.135  1.00 54.63  ? 32  ASP A O   1 
ATOM   244  C  CB  . ASP A 1 31  ? -39.651 48.897 -8.002  1.00 47.43  ? 32  ASP A CB  1 
ATOM   245  C  CG  . ASP A 1 31  ? -39.935 47.599 -7.279  1.00 52.41  ? 32  ASP A CG  1 
ATOM   246  O  OD1 . ASP A 1 31  ? -40.983 46.960 -7.571  1.00 60.95  ? 32  ASP A OD1 1 
ATOM   247  O  OD2 . ASP A 1 31  ? -39.113 47.241 -6.409  1.00 61.73  ? 32  ASP A OD2 1 
ATOM   248  N  N   . GLY A 1 32  ? -39.288 50.643 -10.822 1.00 44.31  ? 33  GLY A N   1 
ATOM   249  C  CA  . GLY A 1 32  ? -38.867 51.936 -11.387 1.00 47.77  ? 33  GLY A CA  1 
ATOM   250  C  C   . GLY A 1 32  ? -38.197 52.831 -10.361 1.00 52.47  ? 33  GLY A C   1 
ATOM   251  O  O   . GLY A 1 32  ? -38.181 54.032 -10.607 1.00 57.25  ? 33  GLY A O   1 
ATOM   252  N  N   . THR A 1 33  ? -37.606 52.273 -9.292  1.00 52.82  ? 34  THR A N   1 
ATOM   253  C  CA  . THR A 1 33  ? -36.874 53.008 -8.215  1.00 56.03  ? 34  THR A CA  1 
ATOM   254  C  C   . THR A 1 33  ? -35.405 53.253 -8.588  1.00 57.87  ? 34  THR A C   1 
ATOM   255  O  O   . THR A 1 33  ? -34.671 53.795 -7.729  1.00 57.23  ? 34  THR A O   1 
ATOM   256  C  CB  . THR A 1 33  ? -36.895 52.246 -6.888  1.00 55.10  ? 34  THR A CB  1 
ATOM   257  O  OG1 . THR A 1 33  ? -36.310 50.975 -7.162  1.00 53.33  ? 34  THR A OG1 1 
ATOM   258  C  CG2 . THR A 1 33  ? -38.286 52.095 -6.314  1.00 59.18  ? 34  THR A CG2 1 
ATOM   259  N  N   . MET A 1 34  ? -34.978 52.828 -9.785  1.00 56.12  ? 35  MET A N   1 
ATOM   260  C  CA  . MET A 1 34  ? -33.649 53.152 -10.380 1.00 58.02  ? 35  MET A CA  1 
ATOM   261  C  C   . MET A 1 34  ? -33.864 53.438 -11.860 1.00 53.30  ? 35  MET A C   1 
ATOM   262  O  O   . MET A 1 34  ? -34.688 52.794 -12.509 1.00 51.37  ? 35  MET A O   1 
ATOM   263  C  CB  . MET A 1 34  ? -32.636 52.006 -10.234 1.00 64.82  ? 35  MET A CB  1 
ATOM   264  C  CG  . MET A 1 34  ? -31.466 52.273 -9.280  1.00 71.35  ? 35  MET A CG  1 
ATOM   265  S  SD  . MET A 1 34  ? -30.477 50.744 -8.943  1.00 84.08  ? 35  MET A SD  1 
ATOM   266  C  CE  . MET A 1 34  ? -29.689 50.423 -10.523 1.00 73.35  ? 35  MET A CE  1 
ATOM   267  N  N   . PRO A 1 35  ? -33.151 54.422 -12.443 1.00 54.65  ? 36  PRO A N   1 
ATOM   268  C  CA  . PRO A 1 35  ? -33.257 54.668 -13.880 1.00 52.18  ? 36  PRO A CA  1 
ATOM   269  C  C   . PRO A 1 35  ? -32.887 53.412 -14.684 1.00 48.50  ? 36  PRO A C   1 
ATOM   270  O  O   . PRO A 1 35  ? -31.873 52.804 -14.403 1.00 47.06  ? 36  PRO A O   1 
ATOM   271  C  CB  . PRO A 1 35  ? -32.259 55.811 -14.130 1.00 55.31  ? 36  PRO A CB  1 
ATOM   272  C  CG  . PRO A 1 35  ? -32.095 56.480 -12.774 1.00 54.65  ? 36  PRO A CG  1 
ATOM   273  C  CD  . PRO A 1 35  ? -32.240 55.360 -11.767 1.00 56.73  ? 36  PRO A CD  1 
ATOM   274  N  N   . PHE A 1 36  ? -33.687 53.061 -15.687 1.00 44.43  ? 37  PHE A N   1 
ATOM   275  C  CA  . PHE A 1 36  ? -33.360 51.939 -16.589 1.00 43.95  ? 37  PHE A CA  1 
ATOM   276  C  C   . PHE A 1 36  ? -32.036 52.217 -17.294 1.00 46.19  ? 37  PHE A C   1 
ATOM   277  O  O   . PHE A 1 36  ? -31.907 53.248 -17.950 1.00 46.90  ? 37  PHE A O   1 
ATOM   278  C  CB  . PHE A 1 36  ? -34.440 51.689 -17.634 1.00 47.04  ? 37  PHE A CB  1 
ATOM   279  C  CG  . PHE A 1 36  ? -34.120 50.497 -18.496 1.00 48.21  ? 37  PHE A CG  1 
ATOM   280  C  CD1 . PHE A 1 36  ? -34.402 49.213 -18.056 1.00 43.96  ? 37  PHE A CD1 1 
ATOM   281  C  CD2 . PHE A 1 36  ? -33.517 50.656 -19.731 1.00 46.80  ? 37  PHE A CD2 1 
ATOM   282  C  CE1 . PHE A 1 36  ? -34.105 48.115 -18.844 1.00 42.08  ? 37  PHE A CE1 1 
ATOM   283  C  CE2 . PHE A 1 36  ? -33.208 49.553 -20.515 1.00 49.02  ? 37  PHE A CE2 1 
ATOM   284  C  CZ  . PHE A 1 36  ? -33.517 48.284 -20.077 1.00 47.59  ? 37  PHE A CZ  1 
ATOM   285  N  N   . SER A 1 37  ? -31.080 51.300 -17.170 1.00 42.84  ? 38  SER A N   1 
ATOM   286  C  CA  . SER A 1 37  ? -29.802 51.311 -17.916 1.00 40.78  ? 38  SER A CA  1 
ATOM   287  C  C   . SER A 1 37  ? -29.573 49.948 -18.566 1.00 38.77  ? 38  SER A C   1 
ATOM   288  O  O   . SER A 1 37  ? -29.450 48.969 -17.796 1.00 37.06  ? 38  SER A O   1 
ATOM   289  C  CB  . SER A 1 37  ? -28.678 51.656 -16.993 1.00 39.77  ? 38  SER A CB  1 
ATOM   290  O  OG  . SER A 1 37  ? -27.447 51.265 -17.566 1.00 34.25  ? 38  SER A OG  1 
ATOM   291  N  N   . GLN A 1 38  ? -29.446 49.898 -19.898 1.00 34.79  ? 39  GLN A N   1 
ATOM   292  C  CA  . GLN A 1 38  ? -29.254 48.636 -20.655 1.00 34.99  ? 39  GLN A CA  1 
ATOM   293  C  C   . GLN A 1 38  ? -27.961 47.944 -20.206 1.00 38.61  ? 39  GLN A C   1 
ATOM   294  O  O   . GLN A 1 38  ? -27.933 46.711 -20.060 1.00 34.87  ? 39  GLN A O   1 
ATOM   295  C  CB  . GLN A 1 38  ? -29.147 48.884 -22.152 1.00 39.86  ? 39  GLN A CB  1 
ATOM   296  C  CG  . GLN A 1 38  ? -29.274 47.593 -22.949 1.00 40.48  ? 39  GLN A CG  1 
ATOM   297  C  CD  . GLN A 1 38  ? -30.730 47.216 -23.103 1.00 41.64  ? 39  GLN A CD  1 
ATOM   298  O  OE1 . GLN A 1 38  ? -31.512 47.967 -23.657 1.00 41.38  ? 39  GLN A OE1 1 
ATOM   299  N  NE2 . GLN A 1 38  ? -31.114 46.037 -22.639 1.00 40.70  ? 39  GLN A NE2 1 
ATOM   300  N  N   . THR A 1 39  ? -26.890 48.718 -20.088 1.00 34.42  ? 40  THR A N   1 
ATOM   301  C  CA  . THR A 1 39  ? -25.559 48.294 -19.601 1.00 33.97  ? 40  THR A CA  1 
ATOM   302  C  C   . THR A 1 39  ? -25.684 47.665 -18.202 1.00 28.66  ? 40  THR A C   1 
ATOM   303  O  O   . THR A 1 39  ? -25.118 46.602 -17.990 1.00 31.62  ? 40  THR A O   1 
ATOM   304  C  CB  . THR A 1 39  ? -24.647 49.533 -19.706 1.00 38.57  ? 40  THR A CB  1 
ATOM   305  O  OG1 . THR A 1 39  ? -24.535 49.699 -21.122 1.00 47.20  ? 40  THR A OG1 1 
ATOM   306  C  CG2 . THR A 1 39  ? -23.289 49.382 -19.084 1.00 46.36  ? 40  THR A CG2 1 
ATOM   307  N  N   . GLN A 1 40  ? -26.273 48.369 -17.249 1.00 31.77  ? 41  GLN A N   1 
ATOM   308  C  CA  . GLN A 1 40  ? -26.339 47.933 -15.834 1.00 33.26  ? 41  GLN A CA  1 
ATOM   309  C  C   . GLN A 1 40  ? -27.265 46.726 -15.720 1.00 32.64  ? 41  GLN A C   1 
ATOM   310  O  O   . GLN A 1 40  ? -26.969 45.853 -14.891 1.00 27.60  ? 41  GLN A O   1 
ATOM   311  C  CB  . GLN A 1 40  ? -26.811 49.057 -14.919 1.00 38.83  ? 41  GLN A CB  1 
ATOM   312  C  CG  . GLN A 1 40  ? -25.746 50.142 -14.746 1.00 45.13  ? 41  GLN A CG  1 
ATOM   313  C  CD  . GLN A 1 40  ? -26.275 51.403 -14.102 1.00 48.91  ? 41  GLN A CD  1 
ATOM   314  O  OE1 . GLN A 1 40  ? -27.225 51.398 -13.324 1.00 57.15  ? 41  GLN A OE1 1 
ATOM   315  N  NE2 . GLN A 1 40  ? -25.660 52.516 -14.438 1.00 55.48  ? 41  GLN A NE2 1 
ATOM   316  N  N   . VAL A 1 41  ? -28.371 46.678 -16.471 1.00 29.13  ? 42  VAL A N   1 
ATOM   317  C  CA  . VAL A 1 41  ? -29.329 45.540 -16.298 1.00 28.64  ? 42  VAL A CA  1 
ATOM   318  C  C   . VAL A 1 41  ? -28.670 44.298 -16.892 1.00 26.82  ? 42  VAL A C   1 
ATOM   319  O  O   . VAL A 1 41  ? -28.777 43.232 -16.320 1.00 24.66  ? 42  VAL A O   1 
ATOM   320  C  CB  . VAL A 1 41  ? -30.718 45.815 -16.907 1.00 31.46  ? 42  VAL A CB  1 
ATOM   321  C  CG1 . VAL A 1 41  ? -30.677 45.903 -18.435 1.00 34.33  ? 42  VAL A CG1 1 
ATOM   322  C  CG2 . VAL A 1 41  ? -31.717 44.767 -16.495 1.00 31.58  ? 42  VAL A CG2 1 
ATOM   323  N  N   . SER A 1 42  ? -27.990 44.438 -18.031 1.00 25.62  ? 43  SER A N   1 
ATOM   324  C  CA  . SER A 1 42  ? -27.252 43.336 -18.679 1.00 25.51  ? 43  SER A CA  1 
ATOM   325  C  C   . SER A 1 42  ? -26.135 42.838 -17.746 1.00 25.74  ? 43  SER A C   1 
ATOM   326  O  O   . SER A 1 42  ? -25.956 41.614 -17.605 1.00 23.07  ? 43  SER A O   1 
ATOM   327  C  CB  . SER A 1 42  ? -26.706 43.800 -19.994 1.00 26.03  ? 43  SER A CB  1 
ATOM   328  O  OG  . SER A 1 42  ? -25.926 42.808 -20.587 1.00 26.96  ? 43  SER A OG  1 
ATOM   329  N  N   . ALA A 1 43  ? -25.328 43.754 -17.213 1.00 24.53  ? 44  ALA A N   1 
ATOM   330  C  CA  . ALA A 1 43  ? -24.252 43.382 -16.260 1.00 25.71  ? 44  ALA A CA  1 
ATOM   331  C  C   . ALA A 1 43  ? -24.838 42.576 -15.087 1.00 21.99  ? 44  ALA A C   1 
ATOM   332  O  O   . ALA A 1 43  ? -24.227 41.559 -14.712 1.00 23.80  ? 44  ALA A O   1 
ATOM   333  C  CB  . ALA A 1 43  ? -23.506 44.615 -15.789 1.00 24.91  ? 44  ALA A CB  1 
ATOM   334  N  N   . ALA A 1 44  ? -25.942 43.018 -14.483 1.00 23.08  ? 45  ALA A N   1 
ATOM   335  C  CA  . ALA A 1 44  ? -26.583 42.310 -13.348 1.00 23.46  ? 45  ALA A CA  1 
ATOM   336  C  C   . ALA A 1 44  ? -27.073 40.917 -13.779 1.00 23.02  ? 45  ALA A C   1 
ATOM   337  O  O   . ALA A 1 44  ? -26.821 39.956 -13.068 1.00 20.82  ? 45  ALA A O   1 
ATOM   338  C  CB  . ALA A 1 44  ? -27.702 43.127 -12.786 1.00 23.92  ? 45  ALA A CB  1 
ATOM   339  N  N   . ALA A 1 45  ? -27.741 40.800 -14.941 1.00 22.95  ? 46  ALA A N   1 
ATOM   340  C  CA  . ALA A 1 45  ? -28.207 39.515 -15.504 1.00 22.88  ? 46  ALA A CA  1 
ATOM   341  C  C   . ALA A 1 45  ? -27.035 38.572 -15.725 1.00 20.52  ? 46  ALA A C   1 
ATOM   342  O  O   . ALA A 1 45  ? -27.124 37.359 -15.475 1.00 21.53  ? 46  ALA A O   1 
ATOM   343  C  CB  . ALA A 1 45  ? -28.966 39.777 -16.793 1.00 24.27  ? 46  ALA A CB  1 
ATOM   344  N  N   . ASN A 1 46  ? -25.929 39.101 -16.225 1.00 22.52  ? 47  ASN A N   1 
ATOM   345  C  CA  . ASN A 1 46  ? -24.731 38.287 -16.526 1.00 22.81  ? 47  ASN A CA  1 
ATOM   346  C  C   . ASN A 1 46  ? -24.144 37.712 -15.236 1.00 21.58  ? 47  ASN A C   1 
ATOM   347  O  O   . ASN A 1 46  ? -23.632 36.597 -15.310 1.00 21.44  ? 47  ASN A O   1 
ATOM   348  C  CB  . ASN A 1 46  ? -23.680 39.095 -17.278 1.00 22.76  ? 47  ASN A CB  1 
ATOM   349  C  CG  . ASN A 1 46  ? -24.097 39.388 -18.703 1.00 27.42  ? 47  ASN A CG  1 
ATOM   350  O  OD1 . ASN A 1 46  ? -25.052 38.805 -19.193 1.00 26.66  ? 47  ASN A OD1 1 
ATOM   351  N  ND2 . ASN A 1 46  ? -23.344 40.257 -19.366 1.00 26.17  ? 47  ASN A ND2 1 
ATOM   352  N  N   . VAL A 1 47  ? -24.224 38.428 -14.108 1.00 22.44  ? 48  VAL A N   1 
ATOM   353  C  CA  . VAL A 1 47  ? -23.728 37.846 -12.816 1.00 20.96  ? 48  VAL A CA  1 
ATOM   354  C  C   . VAL A 1 47  ? -24.596 36.618 -12.462 1.00 20.22  ? 48  VAL A C   1 
ATOM   355  O  O   . VAL A 1 47  ? -24.059 35.545 -12.082 1.00 22.17  ? 48  VAL A O   1 
ATOM   356  C  CB  . VAL A 1 47  ? -23.718 38.875 -11.679 1.00 22.36  ? 48  VAL A CB  1 
ATOM   357  C  CG1 . VAL A 1 47  ? -23.447 38.222 -10.328 1.00 21.95  ? 48  VAL A CG1 1 
ATOM   358  C  CG2 . VAL A 1 47  ? -22.722 40.010 -11.954 1.00 22.51  ? 48  VAL A CG2 1 
ATOM   359  N  N   . ILE A 1 48  ? -25.903 36.766 -12.587 1.00 20.93  ? 49  ILE A N   1 
ATOM   360  C  CA  . ILE A 1 48  ? -26.870 35.700 -12.193 1.00 20.88  ? 49  ILE A CA  1 
ATOM   361  C  C   . ILE A 1 48  ? -26.623 34.473 -13.074 1.00 21.53  ? 49  ILE A C   1 
ATOM   362  O  O   . ILE A 1 48  ? -26.476 33.390 -12.540 1.00 22.36  ? 49  ILE A O   1 
ATOM   363  C  CB  . ILE A 1 48  ? -28.294 36.254 -12.231 1.00 23.98  ? 49  ILE A CB  1 
ATOM   364  C  CG1 . ILE A 1 48  ? -28.437 37.367 -11.189 1.00 23.90  ? 49  ILE A CG1 1 
ATOM   365  C  CG2 . ILE A 1 48  ? -29.322 35.141 -12.044 1.00 23.69  ? 49  ILE A CG2 1 
ATOM   366  C  CD1 . ILE A 1 48  ? -29.462 38.374 -11.525 1.00 24.04  ? 49  ILE A CD1 1 
ATOM   367  N  N   . ALA A 1 49  ? -26.503 34.644 -14.391 1.00 21.86  ? 50  ALA A N   1 
ATOM   368  C  CA  . ALA A 1 49  ? -26.245 33.526 -15.318 1.00 22.22  ? 50  ALA A CA  1 
ATOM   369  C  C   . ALA A 1 49  ? -24.900 32.902 -14.991 1.00 21.54  ? 50  ALA A C   1 
ATOM   370  O  O   . ALA A 1 49  ? -24.778 31.647 -15.011 1.00 21.49  ? 50  ALA A O   1 
ATOM   371  C  CB  . ALA A 1 49  ? -26.333 33.992 -16.752 1.00 22.38  ? 50  ALA A CB  1 
ATOM   372  N  N   . ALA A 1 50  ? -23.879 33.717 -14.752 1.00 20.90  ? 51  ALA A N   1 
ATOM   373  C  CA  . ALA A 1 50  ? -22.535 33.156 -14.542 1.00 21.24  ? 51  ALA A CA  1 
ATOM   374  C  C   . ALA A 1 50  ? -22.570 32.316 -13.275 1.00 19.53  ? 51  ALA A C   1 
ATOM   375  O  O   . ALA A 1 50  ? -22.026 31.207 -13.275 1.00 20.62  ? 51  ALA A O   1 
ATOM   376  C  CB  . ALA A 1 50  ? -21.459 34.230 -14.497 1.00 23.03  ? 51  ALA A CB  1 
ATOM   377  N  N   . ILE A 1 51  ? -23.120 32.848 -12.193 1.00 19.76  ? 52  ILE A N   1 
ATOM   378  C  CA  . ILE A 1 51  ? -23.194 32.058 -10.932 1.00 19.98  ? 52  ILE A CA  1 
ATOM   379  C  C   . ILE A 1 51  ? -24.059 30.791 -11.123 1.00 20.99  ? 52  ILE A C   1 
ATOM   380  O  O   . ILE A 1 51  ? -23.662 29.737 -10.622 1.00 21.16  ? 52  ILE A O   1 
ATOM   381  C  CB  . ILE A 1 51  ? -23.625 32.953 -9.762  1.00 21.00  ? 52  ILE A CB  1 
ATOM   382  C  CG1 . ILE A 1 51  ? -22.506 33.978 -9.520  1.00 22.96  ? 52  ILE A CG1 1 
ATOM   383  C  CG2 . ILE A 1 51  ? -23.930 32.138 -8.518  1.00 21.38  ? 52  ILE A CG2 1 
ATOM   384  C  CD1 . ILE A 1 51  ? -22.788 35.023 -8.476  1.00 21.14  ? 52  ILE A CD1 1 
ATOM   385  N  N   . ALA A 1 52  ? -25.179 30.897 -11.833 1.00 23.46  ? 53  ALA A N   1 
ATOM   386  C  CA  . ALA A 1 52  ? -26.068 29.761 -12.128 1.00 23.87  ? 53  ALA A CA  1 
ATOM   387  C  C   . ALA A 1 52  ? -25.284 28.656 -12.853 1.00 25.42  ? 53  ALA A C   1 
ATOM   388  O  O   . ALA A 1 52  ? -25.492 27.499 -12.548 1.00 24.08  ? 53  ALA A O   1 
ATOM   389  C  CB  . ALA A 1 52  ? -27.264 30.281 -12.883 1.00 23.32  ? 53  ALA A CB  1 
ATOM   390  N  N   . ASN A 1 53  ? -24.315 29.009 -13.696 1.00 25.20  ? 54  ASN A N   1 
ATOM   391  C  CA  . ASN A 1 53  ? -23.467 28.070 -14.469 1.00 24.74  ? 54  ASN A CA  1 
ATOM   392  C  C   . ASN A 1 53  ? -22.181 27.684 -13.736 1.00 26.86  ? 54  ASN A C   1 
ATOM   393  O  O   . ASN A 1 53  ? -21.371 27.003 -14.349 1.00 25.11  ? 54  ASN A O   1 
ATOM   394  C  CB  . ASN A 1 53  ? -23.139 28.672 -15.840 1.00 27.04  ? 54  ASN A CB  1 
ATOM   395  C  CG  . ASN A 1 53  ? -24.357 28.595 -16.735 1.00 27.91  ? 54  ASN A CG  1 
ATOM   396  O  OD1 . ASN A 1 53  ? -24.826 27.518 -17.061 1.00 32.32  ? 54  ASN A OD1 1 
ATOM   397  N  ND2 . ASN A 1 53  ? -24.888 29.719 -17.120 1.00 32.93  ? 54  ASN A ND2 1 
ATOM   398  N  N   . SER A 1 54  ? -21.957 28.128 -12.486 1.00 24.86  ? 55  SER A N   1 
ATOM   399  C  CA  . SER A 1 54  ? -20.645 28.007 -11.775 1.00 26.14  ? 55  SER A CA  1 
ATOM   400  C  C   . SER A 1 54  ? -20.465 26.633 -11.106 1.00 28.22  ? 55  SER A C   1 
ATOM   401  O  O   . SER A 1 54  ? -19.429 26.404 -10.461 1.00 28.54  ? 55  SER A O   1 
ATOM   402  C  CB  . SER A 1 54  ? -20.446 29.141 -10.783 1.00 24.99  ? 55  SER A CB  1 
ATOM   403  O  OG  . SER A 1 54  ? -21.371 29.133 -9.681  1.00 24.36  ? 55  SER A OG  1 
ATOM   404  N  N   . GLY A 1 55  ? -21.422 25.717 -11.231 1.00 28.61  ? 56  GLY A N   1 
ATOM   405  C  CA  . GLY A 1 55  ? -21.278 24.350 -10.666 1.00 29.41  ? 56  GLY A CA  1 
ATOM   406  C  C   . GLY A 1 55  ? -21.355 24.338 -9.140  1.00 26.19  ? 56  GLY A C   1 
ATOM   407  O  O   . GLY A 1 55  ? -20.486 23.757 -8.483  1.00 27.90  ? 56  GLY A O   1 
ATOM   408  N  N   A MET A 1 56  ? -22.394 24.984 -8.601  0.50 28.11  ? 57  MET A N   1 
ATOM   409  N  N   B MET A 1 56  ? -22.337 24.995 -8.546  0.50 27.79  ? 57  MET A N   1 
ATOM   410  C  CA  A MET A 1 56  ? -22.629 25.175 -7.143  0.50 29.23  ? 57  MET A CA  1 
ATOM   411  C  CA  B MET A 1 56  ? -22.359 25.087 -7.067  0.50 28.76  ? 57  MET A CA  1 
ATOM   412  C  C   A MET A 1 56  ? -23.014 23.831 -6.487  0.50 31.02  ? 57  MET A C   1 
ATOM   413  C  C   B MET A 1 56  ? -22.787 23.734 -6.473  0.50 30.37  ? 57  MET A C   1 
ATOM   414  O  O   A MET A 1 56  ? -23.081 23.795 -5.241  0.50 29.02  ? 57  MET A O   1 
ATOM   415  O  O   B MET A 1 56  ? -22.559 23.549 -5.275  0.50 28.35  ? 57  MET A O   1 
ATOM   416  C  CB  A MET A 1 56  ? -23.727 26.218 -6.899  0.50 29.96  ? 57  MET A CB  1 
ATOM   417  C  CB  B MET A 1 56  ? -23.250 26.230 -6.593  0.50 28.48  ? 57  MET A CB  1 
ATOM   418  C  CG  A MET A 1 56  ? -23.338 27.665 -7.301  0.50 30.24  ? 57  MET A CG  1 
ATOM   419  C  CG  B MET A 1 56  ? -22.562 27.576 -6.771  0.50 27.56  ? 57  MET A CG  1 
ATOM   420  S  SD  A MET A 1 56  ? -24.653 28.855 -6.900  0.50 31.12  ? 57  MET A SD  1 
ATOM   421  S  SD  B MET A 1 56  ? -23.718 28.931 -6.645  0.50 29.99  ? 57  MET A SD  1 
ATOM   422  C  CE  A MET A 1 56  ? -24.649 28.639 -5.122  0.50 24.48  ? 57  MET A CE  1 
ATOM   423  C  CE  B MET A 1 56  ? -25.052 28.414 -7.732  0.50 26.16  ? 57  MET A CE  1 
ATOM   424  N  N   . GLY A 1 57  ? -23.272 22.786 -7.292  1.00 33.09  ? 58  GLY A N   1 
ATOM   425  C  CA  . GLY A 1 57  ? -23.466 21.387 -6.849  1.00 32.44  ? 58  GLY A CA  1 
ATOM   426  C  C   . GLY A 1 57  ? -22.259 20.842 -6.108  1.00 33.87  ? 58  GLY A C   1 
ATOM   427  O  O   . GLY A 1 57  ? -22.429 20.071 -5.168  1.00 33.48  ? 58  GLY A O   1 
ATOM   428  N  N   . ALA A 1 58  ? -21.051 21.272 -6.453  1.00 32.57  ? 59  ALA A N   1 
ATOM   429  C  CA  . ALA A 1 58  ? -19.818 20.916 -5.726  1.00 34.32  ? 59  ALA A CA  1 
ATOM   430  C  C   . ALA A 1 58  ? -19.839 21.426 -4.270  1.00 34.22  ? 59  ALA A C   1 
ATOM   431  O  O   . ALA A 1 58  ? -19.022 20.963 -3.479  1.00 35.72  ? 59  ALA A O   1 
ATOM   432  C  CB  . ALA A 1 58  ? -18.637 21.471 -6.494  1.00 37.38  ? 59  ALA A CB  1 
ATOM   433  N  N   . LEU A 1 59  ? -20.709 22.379 -3.916  1.00 30.77  ? 60  LEU A N   1 
ATOM   434  C  CA  . LEU A 1 59  ? -20.736 23.000 -2.557  1.00 30.21  ? 60  LEU A CA  1 
ATOM   435  C  C   . LEU A 1 59  ? -21.773 22.289 -1.680  1.00 30.59  ? 60  LEU A C   1 
ATOM   436  O  O   . LEU A 1 59  ? -21.960 22.726 -0.522  1.00 30.23  ? 60  LEU A O   1 
ATOM   437  C  CB  . LEU A 1 59  ? -21.071 24.493 -2.664  1.00 27.00  ? 60  LEU A CB  1 
ATOM   438  C  CG  . LEU A 1 59  ? -20.095 25.288 -3.544  1.00 27.88  ? 60  LEU A CG  1 
ATOM   439  C  CD1 . LEU A 1 59  ? -20.495 26.739 -3.645  1.00 27.97  ? 60  LEU A CD1 1 
ATOM   440  C  CD2 . LEU A 1 59  ? -18.682 25.154 -3.027  1.00 28.96  ? 60  LEU A CD2 1 
ATOM   441  N  N   . TYR A 1 60  ? -22.445 21.271 -2.208  1.00 29.05  ? 61  TYR A N   1 
ATOM   442  C  CA  . TYR A 1 60  ? -23.529 20.575 -1.477  1.00 31.73  ? 61  TYR A CA  1 
ATOM   443  C  C   . TYR A 1 60  ? -23.088 19.165 -1.113  1.00 37.41  ? 61  TYR A C   1 
ATOM   444  O  O   . TYR A 1 60  ? -22.874 18.320 -1.968  1.00 44.28  ? 61  TYR A O   1 
ATOM   445  C  CB  . TYR A 1 60  ? -24.809 20.568 -2.291  1.00 30.10  ? 61  TYR A CB  1 
ATOM   446  C  CG  . TYR A 1 60  ? -25.513 21.883 -2.219  1.00 31.58  ? 61  TYR A CG  1 
ATOM   447  C  CD1 . TYR A 1 60  ? -26.383 22.149 -1.194  1.00 32.97  ? 61  TYR A CD1 1 
ATOM   448  C  CD2 . TYR A 1 60  ? -25.241 22.903 -3.133  1.00 32.94  ? 61  TYR A CD2 1 
ATOM   449  C  CE1 . TYR A 1 60  ? -27.004 23.382 -1.096  1.00 37.80  ? 61  TYR A CE1 1 
ATOM   450  C  CE2 . TYR A 1 60  ? -25.883 24.127 -3.068  1.00 31.97  ? 61  TYR A CE2 1 
ATOM   451  C  CZ  . TYR A 1 60  ? -26.753 24.375 -2.029  1.00 36.17  ? 61  TYR A CZ  1 
ATOM   452  O  OH  . TYR A 1 60  ? -27.409 25.558 -1.895  1.00 40.06  ? 61  TYR A OH  1 
ATOM   453  N  N   . SER A 1 61  ? -22.846 18.943 0.153   1.00 35.22  ? 62  SER A N   1 
ATOM   454  C  CA  . SER A 1 61  ? -22.566 17.579 0.640   1.00 35.50  ? 62  SER A CA  1 
ATOM   455  C  C   . SER A 1 61  ? -23.124 17.469 2.041   1.00 34.10  ? 62  SER A C   1 
ATOM   456  O  O   . SER A 1 61  ? -23.318 18.476 2.739   1.00 28.96  ? 62  SER A O   1 
ATOM   457  C  CB  . SER A 1 61  ? -21.105 17.216 0.539   1.00 38.79  ? 62  SER A CB  1 
ATOM   458  O  OG  . SER A 1 61  ? -20.286 18.239 1.040   1.00 43.00  ? 62  SER A OG  1 
ATOM   459  N  N   . PRO A 1 62  ? -23.494 16.241 2.441   1.00 32.53  ? 63  PRO A N   1 
ATOM   460  C  CA  . PRO A 1 62  ? -24.085 16.026 3.765   1.00 31.52  ? 63  PRO A CA  1 
ATOM   461  C  C   . PRO A 1 62  ? -23.269 16.609 4.923   1.00 29.40  ? 63  PRO A C   1 
ATOM   462  O  O   . PRO A 1 62  ? -23.846 17.014 5.916   1.00 30.24  ? 63  PRO A O   1 
ATOM   463  C  CB  . PRO A 1 62  ? -24.139 14.490 3.830   1.00 34.15  ? 63  PRO A CB  1 
ATOM   464  C  CG  . PRO A 1 62  ? -24.310 14.088 2.390   1.00 36.82  ? 63  PRO A CG  1 
ATOM   465  C  CD  . PRO A 1 62  ? -23.396 15.018 1.627   1.00 32.66  ? 63  PRO A CD  1 
ATOM   466  N  N   . ASP A 1 63  ? -21.938 16.631 4.829   1.00 30.86  ? 64  ASP A N   1 
ATOM   467  C  CA  . ASP A 1 63  ? -21.113 17.160 5.948   1.00 33.20  ? 64  ASP A CA  1 
ATOM   468  C  C   . ASP A 1 63  ? -21.215 18.685 6.066   1.00 32.88  ? 64  ASP A C   1 
ATOM   469  O  O   . ASP A 1 63  ? -20.603 19.224 7.004   1.00 32.35  ? 64  ASP A O   1 
ATOM   470  C  CB  . ASP A 1 63  ? -19.652 16.736 5.831   1.00 38.14  ? 64  ASP A CB  1 
ATOM   471  C  CG  . ASP A 1 63  ? -18.980 17.239 4.564   1.00 41.89  ? 64  ASP A CG  1 
ATOM   472  O  OD1 . ASP A 1 63  ? -19.623 18.017 3.806   1.00 39.34  ? 64  ASP A OD1 1 
ATOM   473  O  OD2 . ASP A 1 63  ? -17.834 16.829 4.343   1.00 44.66  ? 64  ASP A OD2 1 
ATOM   474  N  N   . THR A 1 64  ? -22.007 19.365 5.226   1.00 29.23  ? 65  THR A N   1 
ATOM   475  C  CA  . THR A 1 64  ? -22.271 20.808 5.386   1.00 30.02  ? 65  THR A CA  1 
ATOM   476  C  C   . THR A 1 64  ? -23.529 21.068 6.200   1.00 30.55  ? 65  THR A C   1 
ATOM   477  O  O   . THR A 1 64  ? -23.807 22.238 6.436   1.00 27.30  ? 65  THR A O   1 
ATOM   478  C  CB  . THR A 1 64  ? -22.391 21.492 4.022   1.00 30.40  ? 65  THR A CB  1 
ATOM   479  O  OG1 . THR A 1 64  ? -23.572 21.086 3.328   1.00 27.36  ? 65  THR A OG1 1 
ATOM   480  C  CG2 . THR A 1 64  ? -21.149 21.213 3.217   1.00 31.53  ? 65  THR A CG2 1 
ATOM   481  N  N   . LEU A 1 65  ? -24.311 20.027 6.535   1.00 30.61  ? 66  LEU A N   1 
ATOM   482  C  CA  . LEU A 1 65  ? -25.563 20.206 7.311   1.00 28.75  ? 66  LEU A CA  1 
ATOM   483  C  C   . LEU A 1 65  ? -25.201 20.755 8.694   1.00 28.59  ? 66  LEU A C   1 
ATOM   484  O  O   . LEU A 1 65  ? -24.250 20.214 9.294   1.00 31.43  ? 66  LEU A O   1 
ATOM   485  C  CB  . LEU A 1 65  ? -26.343 18.889 7.417   1.00 28.85  ? 66  LEU A CB  1 
ATOM   486  C  CG  . LEU A 1 65  ? -27.001 18.406 6.120   1.00 27.27  ? 66  LEU A CG  1 
ATOM   487  C  CD1 . LEU A 1 65  ? -27.495 16.987 6.248   1.00 28.63  ? 66  LEU A CD1 1 
ATOM   488  C  CD2 . LEU A 1 65  ? -28.140 19.310 5.671   1.00 27.16  ? 66  LEU A CD2 1 
ATOM   489  N  N   . GLY A 1 66  ? -25.837 21.853 9.087   1.00 29.09  ? 67  GLY A N   1 
ATOM   490  C  CA  . GLY A 1 66  ? -25.657 22.490 10.409  1.00 31.07  ? 67  GLY A CA  1 
ATOM   491  C  C   . GLY A 1 66  ? -24.342 23.263 10.548  1.00 33.66  ? 67  GLY A C   1 
ATOM   492  O  O   . GLY A 1 66  ? -24.100 23.760 11.612  1.00 32.94  ? 67  GLY A O   1 
ATOM   493  N  N   . VAL A 1 67  ? -23.529 23.399 9.501   1.00 30.42  ? 68  VAL A N   1 
ATOM   494  C  CA  . VAL A 1 67  ? -22.158 23.978 9.588   1.00 29.82  ? 68  VAL A CA  1 
ATOM   495  C  C   . VAL A 1 67  ? -22.231 25.492 9.360   1.00 32.16  ? 68  VAL A C   1 
ATOM   496  O  O   . VAL A 1 67  ? -23.023 25.962 8.501   1.00 26.93  ? 68  VAL A O   1 
ATOM   497  C  CB  . VAL A 1 67  ? -21.194 23.310 8.609   1.00 30.91  ? 68  VAL A CB  1 
ATOM   498  C  CG1 . VAL A 1 67  ? -19.880 24.080 8.452   1.00 32.47  ? 68  VAL A CG1 1 
ATOM   499  C  CG2 . VAL A 1 67  ? -20.920 21.870 9.022   1.00 34.59  ? 68  VAL A CG2 1 
ATOM   500  N  N   . VAL A 1 68  ? -21.398 26.250 10.070  1.00 33.14  ? 69  VAL A N   1 
ATOM   501  C  CA  . VAL A 1 68  ? -21.372 27.737 9.955   1.00 33.25  ? 69  VAL A CA  1 
ATOM   502  C  C   . VAL A 1 68  ? -20.463 28.114 8.790   1.00 33.47  ? 69  VAL A C   1 
ATOM   503  O  O   . VAL A 1 68  ? -19.333 27.622 8.743   1.00 32.29  ? 69  VAL A O   1 
ATOM   504  C  CB  . VAL A 1 68  ? -20.928 28.394 11.277  1.00 39.91  ? 69  VAL A CB  1 
ATOM   505  C  CG1 . VAL A 1 68  ? -20.730 29.905 11.114  1.00 39.73  ? 69  VAL A CG1 1 
ATOM   506  C  CG2 . VAL A 1 68  ? -21.928 28.076 12.388  1.00 36.07  ? 69  VAL A CG2 1 
ATOM   507  N  N   . GLY A 1 69  ? -20.974 28.926 7.862   1.00 31.77  ? 70  GLY A N   1 
ATOM   508  C  CA  . GLY A 1 69  ? -20.162 29.613 6.835   1.00 31.57  ? 70  GLY A CA  1 
ATOM   509  C  C   . GLY A 1 69  ? -19.928 31.034 7.292   1.00 33.75  ? 70  GLY A C   1 
ATOM   510  O  O   . GLY A 1 69  ? -19.164 31.232 8.249   1.00 32.14  ? 70  GLY A O   1 
ATOM   511  N  N   . PHE A 1 70  ? -20.693 31.975 6.753   1.00 35.45  ? 71  PHE A N   1 
ATOM   512  C  CA  . PHE A 1 70  ? -20.897 33.311 7.364   1.00 35.41  ? 71  PHE A CA  1 
ATOM   513  C  C   . PHE A 1 70  ? -21.824 33.162 8.561   1.00 37.24  ? 71  PHE A C   1 
ATOM   514  O  O   . PHE A 1 70  ? -21.684 33.857 9.536   1.00 33.75  ? 71  PHE A O   1 
ATOM   515  C  CB  . PHE A 1 70  ? -21.466 34.270 6.330   1.00 35.46  ? 71  PHE A CB  1 
ATOM   516  C  CG  . PHE A 1 70  ? -20.492 34.553 5.216   1.00 41.83  ? 71  PHE A CG  1 
ATOM   517  C  CD1 . PHE A 1 70  ? -19.192 34.952 5.505   1.00 42.41  ? 71  PHE A CD1 1 
ATOM   518  C  CD2 . PHE A 1 70  ? -20.879 34.445 3.893   1.00 44.24  ? 71  PHE A CD2 1 
ATOM   519  C  CE1 . PHE A 1 70  ? -18.296 35.218 4.485   1.00 43.49  ? 71  PHE A CE1 1 
ATOM   520  C  CE2 . PHE A 1 70  ? -19.988 34.756 2.878   1.00 48.90  ? 71  PHE A CE2 1 
ATOM   521  C  CZ  . PHE A 1 70  ? -18.696 35.122 3.180   1.00 46.16  ? 71  PHE A CZ  1 
ATOM   522  N  N   . LYS A 1 71  ? -22.801 32.273 8.453   1.00 35.58  ? 72  LYS A N   1 
ATOM   523  C  CA  . LYS A 1 71  ? -23.725 31.960 9.566   1.00 35.80  ? 72  LYS A CA  1 
ATOM   524  C  C   . LYS A 1 71  ? -24.125 30.498 9.396   1.00 32.98  ? 72  LYS A C   1 
ATOM   525  O  O   . LYS A 1 71  ? -23.788 29.876 8.354   1.00 28.05  ? 72  LYS A O   1 
ATOM   526  C  CB  . LYS A 1 71  ? -24.907 32.936 9.568   1.00 39.35  ? 72  LYS A CB  1 
ATOM   527  C  CG  . LYS A 1 71  ? -25.905 32.721 8.445   1.00 43.56  ? 72  LYS A CG  1 
ATOM   528  C  CD  . LYS A 1 71  ? -27.095 33.653 8.474   1.00 52.44  ? 72  LYS A CD  1 
ATOM   529  C  CE  . LYS A 1 71  ? -28.073 33.345 7.359   1.00 54.89  ? 72  LYS A CE  1 
ATOM   530  N  NZ  . LYS A 1 71  ? -29.264 34.217 7.463   1.00 59.18  ? 72  LYS A NZ  1 
ATOM   531  N  N   . LYS A 1 72  ? -24.822 29.958 10.373  1.00 29.84  ? 73  LYS A N   1 
ATOM   532  C  CA  . LYS A 1 72  ? -25.237 28.540 10.325  1.00 32.16  ? 73  LYS A CA  1 
ATOM   533  C  C   . LYS A 1 72  ? -26.034 28.273 9.035   1.00 26.49  ? 73  LYS A C   1 
ATOM   534  O  O   . LYS A 1 72  ? -26.893 29.082 8.665   1.00 27.80  ? 73  LYS A O   1 
ATOM   535  C  CB  . LYS A 1 72  ? -26.092 28.184 11.534  1.00 34.76  ? 73  LYS A CB  1 
ATOM   536  C  CG  . LYS A 1 72  ? -26.319 26.689 11.686  1.00 39.71  ? 73  LYS A CG  1 
ATOM   537  C  CD  . LYS A 1 72  ? -27.080 26.388 12.963  1.00 47.68  ? 73  LYS A CD  1 
ATOM   538  C  CE  . LYS A 1 72  ? -26.953 24.956 13.412  1.00 57.00  ? 73  LYS A CE  1 
ATOM   539  N  NZ  . LYS A 1 72  ? -28.050 24.639 14.365  1.00 66.20  ? 73  LYS A NZ  1 
ATOM   540  N  N   . SER A 1 73  ? -25.663 27.210 8.340   1.00 26.50  ? 74  SER A N   1 
ATOM   541  C  CA  . SER A 1 73  ? -26.288 26.802 7.067   1.00 25.12  ? 74  SER A CA  1 
ATOM   542  C  C   . SER A 1 73  ? -27.789 26.686 7.266   1.00 27.41  ? 74  SER A C   1 
ATOM   543  O  O   . SER A 1 73  ? -28.198 26.098 8.286   1.00 26.50  ? 74  SER A O   1 
ATOM   544  C  CB  . SER A 1 73  ? -25.725 25.534 6.558   1.00 28.90  ? 74  SER A CB  1 
ATOM   545  O  OG  . SER A 1 73  ? -26.398 25.157 5.348   1.00 31.53  ? 74  SER A OG  1 
ATOM   546  N  N   . ARG A 1 74  ? -28.570 27.144 6.294   1.00 22.58  ? 75  ARG A N   1 
ATOM   547  C  CA  . ARG A 1 74  ? -30.040 27.004 6.260   1.00 25.50  ? 75  ARG A CA  1 
ATOM   548  C  C   . ARG A 1 74  ? -30.475 25.881 5.313   1.00 25.87  ? 75  ARG A C   1 
ATOM   549  O  O   . ARG A 1 74  ? -31.666 25.785 5.052   1.00 25.28  ? 75  ARG A O   1 
ATOM   550  C  CB  . ARG A 1 74  ? -30.657 28.344 5.891   1.00 28.09  ? 75  ARG A CB  1 
ATOM   551  C  CG  . ARG A 1 74  ? -30.484 29.399 6.981   1.00 33.83  ? 75  ARG A CG  1 
ATOM   552  C  CD  . ARG A 1 74  ? -30.958 30.715 6.433   1.00 41.71  ? 75  ARG A CD  1 
ATOM   553  N  NE  . ARG A 1 74  ? -32.382 30.721 6.126   1.00 44.43  ? 75  ARG A NE  1 
ATOM   554  C  CZ  . ARG A 1 74  ? -32.994 31.634 5.370   1.00 47.22  ? 75  ARG A CZ  1 
ATOM   555  N  NH1 . ARG A 1 74  ? -32.308 32.606 4.788   1.00 50.03  ? 75  ARG A NH1 1 
ATOM   556  N  NH2 . ARG A 1 74  ? -34.295 31.552 5.181   1.00 51.65  ? 75  ARG A NH2 1 
ATOM   557  N  N   . LEU A 1 75  ? -29.555 25.039 4.871   1.00 26.67  ? 76  LEU A N   1 
ATOM   558  C  CA  . LEU A 1 75  ? -29.879 23.862 4.025   1.00 24.67  ? 76  LEU A CA  1 
ATOM   559  C  C   . LEU A 1 75  ? -30.651 22.834 4.846   1.00 26.99  ? 76  LEU A C   1 
ATOM   560  O  O   . LEU A 1 75  ? -30.197 22.474 5.985   1.00 25.43  ? 76  LEU A O   1 
ATOM   561  C  CB  . LEU A 1 75  ? -28.578 23.254 3.503   1.00 24.57  ? 76  LEU A CB  1 
ATOM   562  C  CG  . LEU A 1 75  ? -28.742 22.031 2.593   1.00 25.04  ? 76  LEU A CG  1 
ATOM   563  C  CD1 . LEU A 1 75  ? -29.487 22.395 1.303   1.00 27.35  ? 76  LEU A CD1 1 
ATOM   564  C  CD2 . LEU A 1 75  ? -27.394 21.418 2.294   1.00 27.23  ? 76  LEU A CD2 1 
ATOM   565  N  N   . LYS A 1 76  ? -31.752 22.365 4.279   1.00 26.44  ? 77  LYS A N   1 
ATOM   566  C  CA  . LYS A 1 76  ? -32.541 21.308 4.947   1.00 28.92  ? 77  LYS A CA  1 
ATOM   567  C  C   . LYS A 1 76  ? -32.028 19.947 4.477   1.00 29.08  ? 77  LYS A C   1 
ATOM   568  O  O   . LYS A 1 76  ? -31.604 19.835 3.329   1.00 26.81  ? 77  LYS A O   1 
ATOM   569  C  CB  . LYS A 1 76  ? -34.034 21.500 4.677   1.00 31.13  ? 77  LYS A CB  1 
ATOM   570  C  CG  . LYS A 1 76  ? -34.589 22.856 5.084   1.00 34.92  ? 77  LYS A CG  1 
ATOM   571  C  CD  . LYS A 1 76  ? -35.989 23.090 4.586   1.00 39.70  ? 77  LYS A CD  1 
ATOM   572  C  CE  . LYS A 1 76  ? -36.968 22.068 5.115   1.00 50.05  ? 77  LYS A CE  1 
ATOM   573  N  NZ  . LYS A 1 76  ? -37.947 21.652 4.084   1.00 53.09  ? 77  LYS A NZ  1 
ATOM   574  N  N   . GLU A 1 77  ? -32.076 18.963 5.368   1.00 25.51  ? 78  GLU A N   1 
ATOM   575  C  CA  . GLU A 1 77  ? -31.604 17.616 5.019   1.00 27.39  ? 78  GLU A CA  1 
ATOM   576  C  C   . GLU A 1 77  ? -32.436 17.020 3.867   1.00 25.57  ? 78  GLU A C   1 
ATOM   577  O  O   . GLU A 1 77  ? -31.926 16.165 3.171   1.00 25.60  ? 78  GLU A O   1 
ATOM   578  C  CB  . GLU A 1 77  ? -31.692 16.712 6.226   1.00 30.13  ? 78  GLU A CB  1 
ATOM   579  C  CG  . GLU A 1 77  ? -30.943 15.408 6.030   1.00 31.13  ? 78  GLU A CG  1 
ATOM   580  C  CD  . GLU A 1 77  ? -31.680 14.386 5.209   1.00 29.21  ? 78  GLU A CD  1 
ATOM   581  O  OE1 . GLU A 1 77  ? -32.940 14.403 5.242   1.00 33.13  ? 78  GLU A OE1 1 
ATOM   582  O  OE2 . GLU A 1 77  ? -31.001 13.598 4.532   1.00 30.75  ? 78  GLU A OE2 1 
ATOM   583  N  N   . ASN A 1 78  ? -33.693 17.402 3.712   1.00 26.34  ? 79  ASN A N   1 
ATOM   584  C  CA  . ASN A 1 78  ? -34.543 16.794 2.653   1.00 31.09  ? 79  ASN A CA  1 
ATOM   585  C  C   . ASN A 1 78  ? -33.944 17.085 1.259   1.00 30.63  ? 79  ASN A C   1 
ATOM   586  O  O   . ASN A 1 78  ? -34.198 16.293 0.380   1.00 29.07  ? 79  ASN A O   1 
ATOM   587  C  CB  . ASN A 1 78  ? -36.014 17.166 2.772   1.00 37.28  ? 79  ASN A CB  1 
ATOM   588  C  CG  . ASN A 1 78  ? -36.263 18.528 2.200   1.00 44.72  ? 79  ASN A CG  1 
ATOM   589  O  OD1 . ASN A 1 78  ? -35.385 19.389 2.282   1.00 50.15  ? 79  ASN A OD1 1 
ATOM   590  N  ND2 . ASN A 1 78  ? -37.414 18.700 1.569   1.00 50.38  ? 79  ASN A ND2 1 
ATOM   591  N  N   . PHE A 1 79  ? -33.019 18.037 1.107   1.00 31.65  ? 80  PHE A N   1 
ATOM   592  C  CA  . PHE A 1 79  ? -32.237 18.227 -0.146  1.00 28.94  ? 80  PHE A CA  1 
ATOM   593  C  C   . PHE A 1 79  ? -31.607 16.898 -0.583  1.00 31.74  ? 80  PHE A C   1 
ATOM   594  O  O   . PHE A 1 79  ? -31.586 16.570 -1.787  1.00 29.95  ? 80  PHE A O   1 
ATOM   595  C  CB  . PHE A 1 79  ? -31.199 19.334 0.036   1.00 29.77  ? 80  PHE A CB  1 
ATOM   596  C  CG  . PHE A 1 79  ? -30.250 19.556 -1.120  1.00 29.22  ? 80  PHE A CG  1 
ATOM   597  C  CD1 . PHE A 1 79  ? -29.118 18.775 -1.277  1.00 29.65  ? 80  PHE A CD1 1 
ATOM   598  C  CD2 . PHE A 1 79  ? -30.478 20.574 -2.034  1.00 29.32  ? 80  PHE A CD2 1 
ATOM   599  C  CE1 . PHE A 1 79  ? -28.232 19.011 -2.329  1.00 31.07  ? 80  PHE A CE1 1 
ATOM   600  C  CE2 . PHE A 1 79  ? -29.585 20.809 -3.067  1.00 28.32  ? 80  PHE A CE2 1 
ATOM   601  C  CZ  . PHE A 1 79  ? -28.481 20.017 -3.229  1.00 28.28  ? 80  PHE A CZ  1 
ATOM   602  N  N   . PHE A 1 80  ? -31.126 16.096 0.356   1.00 31.60  ? 81  PHE A N   1 
ATOM   603  C  CA  . PHE A 1 80  ? -30.435 14.822 0.043   1.00 30.74  ? 81  PHE A CA  1 
ATOM   604  C  C   . PHE A 1 80  ? -31.465 13.707 -0.165  1.00 31.46  ? 81  PHE A C   1 
ATOM   605  O  O   . PHE A 1 80  ? -31.065 12.678 -0.697  1.00 33.98  ? 81  PHE A O   1 
ATOM   606  C  CB  . PHE A 1 80  ? -29.386 14.493 1.107   1.00 30.10  ? 81  PHE A CB  1 
ATOM   607  C  CG  . PHE A 1 80  ? -28.316 15.538 1.164   1.00 29.57  ? 81  PHE A CG  1 
ATOM   608  C  CD1 . PHE A 1 80  ? -27.374 15.622 0.147   1.00 31.32  ? 81  PHE A CD1 1 
ATOM   609  C  CD2 . PHE A 1 80  ? -28.333 16.515 2.145   1.00 31.01  ? 81  PHE A CD2 1 
ATOM   610  C  CE1 . PHE A 1 80  ? -26.418 16.626 0.154   1.00 33.24  ? 81  PHE A CE1 1 
ATOM   611  C  CE2 . PHE A 1 80  ? -27.386 17.530 2.135   1.00 32.40  ? 81  PHE A CE2 1 
ATOM   612  C  CZ  . PHE A 1 80  ? -26.427 17.582 1.145   1.00 30.01  ? 81  PHE A CZ  1 
ATOM   613  N  N   . GLN A 1 81  ? -32.728 13.907 0.213   1.00 28.91  ? 82  GLN A N   1 
ATOM   614  C  CA  . GLN A 1 81  ? -33.761 12.848 0.070   1.00 34.57  ? 82  GLN A CA  1 
ATOM   615  C  C   . GLN A 1 81  ? -34.530 13.038 -1.233  1.00 36.80  ? 82  GLN A C   1 
ATOM   616  O  O   . GLN A 1 81  ? -35.284 12.136 -1.554  1.00 32.79  ? 82  GLN A O   1 
ATOM   617  C  CB  . GLN A 1 81  ? -34.786 12.905 1.210   1.00 35.76  ? 82  GLN A CB  1 
ATOM   618  C  CG  . GLN A 1 81  ? -34.162 12.789 2.594   1.00 35.08  ? 82  GLN A CG  1 
ATOM   619  C  CD  . GLN A 1 81  ? -33.354 11.523 2.673   1.00 38.95  ? 82  GLN A CD  1 
ATOM   620  O  OE1 . GLN A 1 81  ? -33.769 10.484 2.147   1.00 45.12  ? 82  GLN A OE1 1 
ATOM   621  N  NE2 . GLN A 1 81  ? -32.157 11.623 3.232   1.00 34.05  ? 82  GLN A NE2 1 
ATOM   622  N  N   . GLU A 1 82  ? -34.430 14.201 -1.886  1.00 33.26  ? 83  GLU A N   1 
ATOM   623  C  CA  . GLU A 1 82  ? -35.356 14.573 -3.000  1.00 30.38  ? 83  GLU A CA  1 
ATOM   624  C  C   . GLU A 1 82  ? -34.532 14.939 -4.230  1.00 27.69  ? 83  GLU A C   1 
ATOM   625  O  O   . GLU A 1 82  ? -34.758 16.000 -4.776  1.00 28.36  ? 83  GLU A O   1 
ATOM   626  C  CB  . GLU A 1 82  ? -36.271 15.710 -2.564  1.00 31.94  ? 83  GLU A CB  1 
ATOM   627  C  CG  . GLU A 1 82  ? -37.281 15.292 -1.512  1.00 36.91  ? 83  GLU A CG  1 
ATOM   628  C  CD  . GLU A 1 82  ? -38.101 16.421 -0.917  1.00 45.56  ? 83  GLU A CD  1 
ATOM   629  O  OE1 . GLU A 1 82  ? -38.803 17.107 -1.667  1.00 48.69  ? 83  GLU A OE1 1 
ATOM   630  O  OE2 . GLU A 1 82  ? -38.030 16.609 0.315   1.00 68.99  ? 83  GLU A OE2 1 
ATOM   631  N  N   . GLN A 1 83  ? -33.597 14.101 -4.638  1.00 31.07  ? 84  GLN A N   1 
ATOM   632  C  CA  . GLN A 1 83  ? -32.613 14.503 -5.676  1.00 34.08  ? 84  GLN A CA  1 
ATOM   633  C  C   . GLN A 1 83  ? -33.357 14.713 -7.009  1.00 33.29  ? 84  GLN A C   1 
ATOM   634  O  O   . GLN A 1 83  ? -32.952 15.594 -7.745  1.00 28.22  ? 84  GLN A O   1 
ATOM   635  C  CB  . GLN A 1 83  ? -31.440 13.522 -5.753  1.00 42.45  ? 84  GLN A CB  1 
ATOM   636  C  CG  . GLN A 1 83  ? -30.076 14.225 -5.759  1.00 55.58  ? 84  GLN A CG  1 
ATOM   637  C  CD  . GLN A 1 83  ? -29.592 14.751 -4.423  1.00 57.66  ? 84  GLN A CD  1 
ATOM   638  O  OE1 . GLN A 1 83  ? -28.961 14.029 -3.657  1.00 86.22  ? 84  GLN A OE1 1 
ATOM   639  N  NE2 . GLN A 1 83  ? -29.812 16.030 -4.143  1.00 51.12  ? 84  GLN A NE2 1 
ATOM   640  N  N   . ASP A 1 84  ? -34.427 13.983 -7.298  1.00 29.55  ? 85  ASP A N   1 
ATOM   641  C  CA  . ASP A 1 84  ? -35.192 14.236 -8.552  1.00 31.44  ? 85  ASP A CA  1 
ATOM   642  C  C   . ASP A 1 84  ? -35.768 15.656 -8.551  1.00 30.37  ? 85  ASP A C   1 
ATOM   643  O  O   . ASP A 1 84  ? -35.721 16.310 -9.590  1.00 25.70  ? 85  ASP A O   1 
ATOM   644  C  CB  . ASP A 1 84  ? -36.284 13.183 -8.745  1.00 34.28  ? 85  ASP A CB  1 
ATOM   645  C  CG  . ASP A 1 84  ? -37.330 13.143 -7.641  1.00 44.71  ? 85  ASP A CG  1 
ATOM   646  O  OD1 . ASP A 1 84  ? -36.988 13.449 -6.477  1.00 46.78  ? 85  ASP A OD1 1 
ATOM   647  O  OD2 . ASP A 1 84  ? -38.485 12.793 -7.952  1.00 57.88  ? 85  ASP A OD2 1 
ATOM   648  N  N   . GLU A 1 85  ? -36.294 16.083 -7.408  1.00 26.86  ? 86  GLU A N   1 
ATOM   649  C  CA  . GLU A 1 85  ? -36.912 17.423 -7.260  1.00 29.14  ? 86  GLU A CA  1 
ATOM   650  C  C   . GLU A 1 85  ? -35.801 18.481 -7.333  1.00 26.97  ? 86  GLU A C   1 
ATOM   651  O  O   . GLU A 1 85  ? -35.998 19.510 -8.002  1.00 24.20  ? 86  GLU A O   1 
ATOM   652  C  CB  . GLU A 1 85  ? -37.764 17.452 -5.991  1.00 31.53  ? 86  GLU A CB  1 
ATOM   653  C  CG  . GLU A 1 85  ? -38.475 18.773 -5.777  1.00 38.35  ? 86  GLU A CG  1 
ATOM   654  C  CD  . GLU A 1 85  ? -39.568 19.201 -6.762  1.00 46.36  ? 86  GLU A CD  1 
ATOM   655  O  OE1 . GLU A 1 85  ? -39.960 18.422 -7.675  1.00 45.60  ? 86  GLU A OE1 1 
ATOM   656  O  OE2 . GLU A 1 85  ? -40.037 20.345 -6.620  1.00 51.54  ? 86  GLU A OE2 1 
ATOM   657  N  N   . VAL A 1 86  ? -34.639 18.220 -6.739  1.00 27.43  ? 87  VAL A N   1 
ATOM   658  C  CA  . VAL A 1 86  ? -33.484 19.154 -6.799  1.00 27.03  ? 87  VAL A CA  1 
ATOM   659  C  C   . VAL A 1 86  ? -33.027 19.308 -8.250  1.00 28.52  ? 87  VAL A C   1 
ATOM   660  O  O   . VAL A 1 86  ? -32.871 20.433 -8.694  1.00 26.23  ? 87  VAL A O   1 
ATOM   661  C  CB  . VAL A 1 86  ? -32.306 18.682 -5.935  1.00 31.59  ? 87  VAL A CB  1 
ATOM   662  C  CG1 . VAL A 1 86  ? -31.055 19.527 -6.223  1.00 31.55  ? 87  VAL A CG1 1 
ATOM   663  C  CG2 . VAL A 1 86  ? -32.715 18.731 -4.458  1.00 33.17  ? 87  VAL A CG2 1 
ATOM   664  N  N   . ARG A 1 87  ? -32.833 18.206 -8.962  1.00 26.69  ? 88  ARG A N   1 
ATOM   665  C  CA  . ARG A 1 87  ? -32.454 18.257 -10.402 1.00 27.13  ? 88  ARG A CA  1 
ATOM   666  C  C   . ARG A 1 87  ? -33.478 19.069 -11.207 1.00 24.42  ? 88  ARG A C   1 
ATOM   667  O  O   . ARG A 1 87  ? -33.053 19.926 -11.997 1.00 25.11  ? 88  ARG A O   1 
ATOM   668  C  CB  . ARG A 1 87  ? -32.261 16.865 -10.992 1.00 28.97  ? 88  ARG A CB  1 
ATOM   669  C  CG  . ARG A 1 87  ? -30.987 16.182 -10.509 1.00 35.24  ? 88  ARG A CG  1 
ATOM   670  C  CD  . ARG A 1 87  ? -30.826 14.871 -11.266 1.00 41.79  ? 88  ARG A CD  1 
ATOM   671  N  NE  . ARG A 1 87  ? -30.203 13.889 -10.400 1.00 53.26  ? 88  ARG A NE  1 
ATOM   672  C  CZ  . ARG A 1 87  ? -30.842 12.962 -9.689  1.00 66.24  ? 88  ARG A CZ  1 
ATOM   673  N  NH1 . ARG A 1 87  ? -32.160 12.851 -9.750  1.00 74.84  ? 88  ARG A NH1 1 
ATOM   674  N  NH2 . ARG A 1 87  ? -30.152 12.127 -8.926  1.00 67.80  ? 88  ARG A NH2 1 
ATOM   675  N  N   . LYS A 1 88  ? -34.766 18.841 -11.006 1.00 22.48  ? 89  LYS A N   1 
ATOM   676  C  CA  . LYS A 1 88  ? -35.809 19.619 -11.719 1.00 23.87  ? 89  LYS A CA  1 
ATOM   677  C  C   . LYS A 1 88  ? -35.644 21.114 -11.448 1.00 23.84  ? 89  LYS A C   1 
ATOM   678  O  O   . LYS A 1 88  ? -35.628 21.886 -12.403 1.00 22.17  ? 89  LYS A O   1 
ATOM   679  C  CB  . LYS A 1 88  ? -37.201 19.184 -11.261 1.00 25.94  ? 89  LYS A CB  1 
ATOM   680  C  CG  . LYS A 1 88  ? -38.353 20.091 -11.657 1.00 30.41  ? 89  LYS A CG  1 
ATOM   681  C  CD  . LYS A 1 88  ? -39.670 19.602 -11.109 1.00 40.79  ? 89  LYS A CD  1 
ATOM   682  C  CE  . LYS A 1 88  ? -40.798 20.594 -11.281 1.00 44.19  ? 89  LYS A CE  1 
ATOM   683  N  NZ  . LYS A 1 88  ? -40.287 21.979 -11.375 1.00 57.36  ? 89  LYS A NZ  1 
ATOM   684  N  N   . ILE A 1 89  ? -35.528 21.481 -10.177 1.00 24.35  ? 90  ILE A N   1 
ATOM   685  C  CA  . ILE A 1 89  ? -35.477 22.917 -9.803  1.00 24.96  ? 90  ILE A CA  1 
ATOM   686  C  C   . ILE A 1 89  ? -34.153 23.540 -10.272 1.00 23.15  ? 90  ILE A C   1 
ATOM   687  O  O   . ILE A 1 89  ? -34.191 24.648 -10.807 1.00 25.92  ? 90  ILE A O   1 
ATOM   688  C  CB  . ILE A 1 89  ? -35.732 23.046 -8.288  1.00 26.37  ? 90  ILE A CB  1 
ATOM   689  C  CG1 . ILE A 1 89  ? -37.214 22.848 -7.976  1.00 29.46  ? 90  ILE A CG1 1 
ATOM   690  C  CG2 . ILE A 1 89  ? -35.229 24.370 -7.750  1.00 28.98  ? 90  ILE A CG2 1 
ATOM   691  C  CD1 . ILE A 1 89  ? -37.483 22.617 -6.503  1.00 31.86  ? 90  ILE A CD1 1 
ATOM   692  N  N   . ALA A 1 90  ? -33.030 22.861 -10.132 1.00 23.20  ? 91  ALA A N   1 
ATOM   693  C  CA  . ALA A 1 90  ? -31.698 23.391 -10.494 1.00 24.85  ? 91  ALA A CA  1 
ATOM   694  C  C   . ALA A 1 90  ? -31.601 23.596 -12.014 1.00 25.76  ? 91  ALA A C   1 
ATOM   695  O  O   . ALA A 1 90  ? -31.142 24.665 -12.445 1.00 25.77  ? 91  ALA A O   1 
ATOM   696  C  CB  . ALA A 1 90  ? -30.580 22.497 -9.993  1.00 26.04  ? 91  ALA A CB  1 
ATOM   697  N  N   . THR A 1 91  ? -32.011 22.615 -12.807 1.00 25.89  ? 92  THR A N   1 
ATOM   698  C  CA  . THR A 1 91  ? -31.893 22.712 -14.286 1.00 22.92  ? 92  THR A CA  1 
ATOM   699  C  C   . THR A 1 91  ? -32.820 23.813 -14.752 1.00 22.03  ? 92  THR A C   1 
ATOM   700  O  O   . THR A 1 91  ? -32.450 24.546 -15.694 1.00 23.46  ? 92  THR A O   1 
ATOM   701  C  CB  . THR A 1 91  ? -32.165 21.363 -14.963 1.00 23.33  ? 92  THR A CB  1 
ATOM   702  O  OG1 . THR A 1 91  ? -33.490 20.943 -14.638 1.00 22.88  ? 92  THR A OG1 1 
ATOM   703  C  CG2 . THR A 1 91  ? -31.163 20.309 -14.564 1.00 26.57  ? 92  THR A CG2 1 
ATOM   704  N  N   . ASN A 1 92  ? -33.995 23.943 -14.122 1.00 21.43  ? 93  ASN A N   1 
ATOM   705  C  CA  . ASN A 1 92  ? -34.943 25.029 -14.447 1.00 20.34  ? 93  ASN A CA  1 
ATOM   706  C  C   . ASN A 1 92  ? -34.254 26.372 -14.188 1.00 22.17  ? 93  ASN A C   1 
ATOM   707  O  O   . ASN A 1 92  ? -34.349 27.273 -14.995 1.00 20.41  ? 93  ASN A O   1 
ATOM   708  C  CB  . ASN A 1 92  ? -36.276 24.906 -13.706 1.00 21.69  ? 93  ASN A CB  1 
ATOM   709  C  CG  . ASN A 1 92  ? -37.165 26.058 -14.087 1.00 24.71  ? 93  ASN A CG  1 
ATOM   710  O  OD1 . ASN A 1 92  ? -37.477 26.246 -15.257 1.00 26.47  ? 93  ASN A OD1 1 
ATOM   711  N  ND2 . ASN A 1 92  ? -37.487 26.902 -13.139 1.00 26.68  ? 93  ASN A ND2 1 
ATOM   712  N  N   . PHE A 1 93  ? -33.589 26.515 -13.056 1.00 22.07  ? 94  PHE A N   1 
ATOM   713  C  CA  . PHE A 1 93  ? -32.983 27.806 -12.656 1.00 23.44  ? 94  PHE A CA  1 
ATOM   714  C  C   . PHE A 1 93  ? -31.891 28.179 -13.673 1.00 20.18  ? 94  PHE A C   1 
ATOM   715  O  O   . PHE A 1 93  ? -31.905 29.282 -14.163 1.00 24.07  ? 94  PHE A O   1 
ATOM   716  C  CB  . PHE A 1 93  ? -32.432 27.699 -11.234 1.00 23.85  ? 94  PHE A CB  1 
ATOM   717  C  CG  . PHE A 1 93  ? -31.595 28.887 -10.839 1.00 22.15  ? 94  PHE A CG  1 
ATOM   718  C  CD1 . PHE A 1 93  ? -32.126 30.159 -10.875 1.00 25.63  ? 94  PHE A CD1 1 
ATOM   719  C  CD2 . PHE A 1 93  ? -30.271 28.731 -10.502 1.00 24.52  ? 94  PHE A CD2 1 
ATOM   720  C  CE1 . PHE A 1 93  ? -31.340 31.267 -10.583 1.00 28.55  ? 94  PHE A CE1 1 
ATOM   721  C  CE2 . PHE A 1 93  ? -29.487 29.839 -10.237 1.00 25.71  ? 94  PHE A CE2 1 
ATOM   722  C  CZ  . PHE A 1 93  ? -30.015 31.099 -10.279 1.00 23.57  ? 94  PHE A CZ  1 
ATOM   723  N  N   . VAL A 1 94  ? -31.033 27.248 -14.044 1.00 22.57  ? 95  VAL A N   1 
ATOM   724  C  CA  . VAL A 1 94  ? -29.935 27.511 -15.014 1.00 24.22  ? 95  VAL A CA  1 
ATOM   725  C  C   . VAL A 1 94  ? -30.533 27.982 -16.359 1.00 23.97  ? 95  VAL A C   1 
ATOM   726  O  O   . VAL A 1 94  ? -30.101 29.021 -16.914 1.00 22.10  ? 95  VAL A O   1 
ATOM   727  C  CB  . VAL A 1 94  ? -29.048 26.267 -15.161 1.00 27.44  ? 95  VAL A CB  1 
ATOM   728  C  CG1 . VAL A 1 94  ? -28.072 26.401 -16.322 1.00 29.98  ? 95  VAL A CG1 1 
ATOM   729  C  CG2 . VAL A 1 94  ? -28.330 25.933 -13.851 1.00 31.66  ? 95  VAL A CG2 1 
ATOM   730  N  N   . GLU A 1 95  ? -31.550 27.284 -16.848 1.00 23.98  ? 96  GLU A N   1 
ATOM   731  C  CA  . GLU A 1 95  ? -32.272 27.625 -18.095 1.00 25.38  ? 96  GLU A CA  1 
ATOM   732  C  C   . GLU A 1 95  ? -32.841 29.035 -18.005 1.00 22.63  ? 96  GLU A C   1 
ATOM   733  O  O   . GLU A 1 95  ? -32.618 29.823 -18.939 1.00 23.84  ? 96  GLU A O   1 
ATOM   734  C  CB  . GLU A 1 95  ? -33.386 26.601 -18.337 1.00 29.31  ? 96  GLU A CB  1 
ATOM   735  C  CG  . GLU A 1 95  ? -34.507 27.148 -19.218 1.00 37.99  ? 96  GLU A CG  1 
ATOM   736  C  CD  . GLU A 1 95  ? -34.004 27.341 -20.607 1.00 45.85  ? 96  GLU A CD  1 
ATOM   737  O  OE1 . GLU A 1 95  ? -32.910 26.776 -20.899 1.00 48.58  ? 96  GLU A OE1 1 
ATOM   738  O  OE2 . GLU A 1 95  ? -34.696 28.043 -21.388 1.00 53.09  ? 96  GLU A OE2 1 
ATOM   739  N  N   . GLN A 1 96  ? -33.525 29.384 -16.906 1.00 23.01  ? 97  GLN A N   1 
ATOM   740  C  CA  . GLN A 1 96  ? -34.190 30.716 -16.778 1.00 24.09  ? 97  GLN A CA  1 
ATOM   741  C  C   . GLN A 1 96  ? -33.114 31.810 -16.639 1.00 23.13  ? 97  GLN A C   1 
ATOM   742  O  O   . GLN A 1 96  ? -33.252 32.876 -17.257 1.00 23.60  ? 97  GLN A O   1 
ATOM   743  C  CB  . GLN A 1 96  ? -35.190 30.725 -15.630 1.00 26.56  ? 97  GLN A CB  1 
ATOM   744  C  CG  . GLN A 1 96  ? -36.253 29.641 -15.678 1.00 26.84  ? 97  GLN A CG  1 
ATOM   745  C  CD  . GLN A 1 96  ? -37.131 29.678 -16.910 1.00 32.98  ? 97  GLN A CD  1 
ATOM   746  O  OE1 . GLN A 1 96  ? -37.176 30.652 -17.652 1.00 28.45  ? 97  GLN A OE1 1 
ATOM   747  N  NE2 . GLN A 1 96  ? -37.876 28.594 -17.116 1.00 34.14  ? 97  GLN A NE2 1 
ATOM   748  N  N   . ALA A 1 97  ? -32.051 31.534 -15.899 1.00 23.29  ? 98  ALA A N   1 
ATOM   749  C  CA  . ALA A 1 97  ? -30.953 32.517 -15.717 1.00 21.67  ? 98  ALA A CA  1 
ATOM   750  C  C   . ALA A 1 97  ? -30.282 32.800 -17.077 1.00 22.99  ? 98  ALA A C   1 
ATOM   751  O  O   . ALA A 1 97  ? -30.000 33.978 -17.359 1.00 24.50  ? 98  ALA A O   1 
ATOM   752  C  CB  . ALA A 1 97  ? -29.988 31.992 -14.716 1.00 20.79  ? 98  ALA A CB  1 
ATOM   753  N  N   . ASN A 1 98  ? -29.975 31.757 -17.857 1.00 23.96  ? 99  ASN A N   1 
ATOM   754  C  CA  . ASN A 1 98  ? -29.388 31.885 -19.217 1.00 24.80  ? 99  ASN A CA  1 
ATOM   755  C  C   . ASN A 1 98  ? -30.293 32.768 -20.069 1.00 24.83  ? 99  ASN A C   1 
ATOM   756  O  O   . ASN A 1 98  ? -29.808 33.663 -20.783 1.00 23.20  ? 99  ASN A O   1 
ATOM   757  C  CB  . ASN A 1 98  ? -29.234 30.530 -19.893 1.00 27.37  ? 99  ASN A CB  1 
ATOM   758  C  CG  . ASN A 1 98  ? -28.089 29.713 -19.354 1.00 34.61  ? 99  ASN A CG  1 
ATOM   759  O  OD1 . ASN A 1 98  ? -27.160 30.234 -18.754 1.00 27.97  ? 99  ASN A OD1 1 
ATOM   760  N  ND2 . ASN A 1 98  ? -28.100 28.438 -19.699 1.00 34.52  ? 99  ASN A ND2 1 
ATOM   761  N  N   . LYS A 1 99  ? -31.595 32.535 -20.005 1.00 25.46  ? 100 LYS A N   1 
ATOM   762  C  CA  . LYS A 1 99  ? -32.578 33.298 -20.805 1.00 26.77  ? 100 LYS A CA  1 
ATOM   763  C  C   . LYS A 1 99  ? -32.586 34.742 -20.351 1.00 24.67  ? 100 LYS A C   1 
ATOM   764  O  O   . LYS A 1 99  ? -32.647 35.608 -21.206 1.00 23.02  ? 100 LYS A O   1 
ATOM   765  C  CB  . LYS A 1 99  ? -33.991 32.718 -20.715 1.00 30.39  ? 100 LYS A CB  1 
ATOM   766  C  CG  . LYS A 1 99  ? -34.403 31.987 -21.977 1.00 44.90  ? 100 LYS A CG  1 
ATOM   767  C  CD  . LYS A 1 99  ? -35.190 30.762 -21.694 1.00 52.74  ? 100 LYS A CD  1 
ATOM   768  C  CE  . LYS A 1 99  ? -36.484 31.049 -20.978 1.00 53.68  ? 100 LYS A CE  1 
ATOM   769  N  NZ  . LYS A 1 99  ? -37.318 29.830 -20.926 1.00 58.41  ? 100 LYS A NZ  1 
ATOM   770  N  N   . LEU A 1 100 ? -32.569 35.005 -19.046 1.00 22.64  ? 101 LEU A N   1 
ATOM   771  C  CA  . LEU A 1 100 ? -32.530 36.401 -18.562 1.00 24.39  ? 101 LEU A CA  1 
ATOM   772  C  C   . LEU A 1 100 ? -31.307 37.141 -19.158 1.00 21.66  ? 101 LEU A C   1 
ATOM   773  O  O   . LEU A 1 100 ? -31.489 38.289 -19.573 1.00 24.05  ? 101 LEU A O   1 
ATOM   774  C  CB  . LEU A 1 100 ? -32.492 36.403 -17.038 1.00 22.44  ? 101 LEU A CB  1 
ATOM   775  C  CG  . LEU A 1 100 ? -32.419 37.781 -16.386 1.00 25.11  ? 101 LEU A CG  1 
ATOM   776  C  CD1 . LEU A 1 100 ? -33.563 38.685 -16.831 1.00 28.20  ? 101 LEU A CD1 1 
ATOM   777  C  CD2 . LEU A 1 100 ? -32.407 37.628 -14.893 1.00 24.80  ? 101 LEU A CD2 1 
ATOM   778  N  N   . ALA A 1 101 ? -30.104 36.562 -19.095 1.00 21.55  ? 102 ALA A N   1 
ATOM   779  C  CA  . ALA A 1 101 ? -28.889 37.222 -19.626 1.00 22.24  ? 102 ALA A CA  1 
ATOM   780  C  C   . ALA A 1 101 ? -29.041 37.439 -21.152 1.00 25.63  ? 102 ALA A C   1 
ATOM   781  O  O   . ALA A 1 101 ? -28.709 38.539 -21.621 1.00 23.89  ? 102 ALA A O   1 
ATOM   782  C  CB  . ALA A 1 101 ? -27.667 36.418 -19.297 1.00 24.60  ? 102 ALA A CB  1 
ATOM   783  N  N   . GLU A 1 102 ? -29.553 36.453 -21.890 1.00 27.09  ? 103 GLU A N   1 
ATOM   784  C  CA  . GLU A 1 102 ? -29.848 36.602 -23.351 1.00 28.71  ? 103 GLU A CA  1 
ATOM   785  C  C   . GLU A 1 102 ? -30.782 37.796 -23.575 1.00 25.89  ? 103 GLU A C   1 
ATOM   786  O  O   . GLU A 1 102 ? -30.474 38.667 -24.406 1.00 29.25  ? 103 GLU A O   1 
ATOM   787  C  CB  . GLU A 1 102 ? -30.515 35.368 -23.947 1.00 35.86  ? 103 GLU A CB  1 
ATOM   788  C  CG  . GLU A 1 102 ? -29.647 34.140 -24.050 1.00 49.22  ? 103 GLU A CG  1 
ATOM   789  C  CD  . GLU A 1 102 ? -30.422 32.923 -24.571 1.00 59.29  ? 103 GLU A CD  1 
ATOM   790  O  OE1 . GLU A 1 102 ? -31.337 33.119 -25.408 1.00 65.92  ? 103 GLU A OE1 1 
ATOM   791  O  OE2 . GLU A 1 102 ? -30.143 31.786 -24.123 1.00 63.42  ? 103 GLU A OE2 1 
ATOM   792  N  N   . VAL A 1 103 ? -31.908 37.879 -22.868 1.00 25.73  ? 104 VAL A N   1 
ATOM   793  C  CA  . VAL A 1 103 ? -32.922 38.965 -23.061 1.00 26.03  ? 104 VAL A CA  1 
ATOM   794  C  C   . VAL A 1 103 ? -32.342 40.324 -22.635 1.00 25.43  ? 104 VAL A C   1 
ATOM   795  O  O   . VAL A 1 103 ? -32.644 41.360 -23.264 1.00 25.95  ? 104 VAL A O   1 
ATOM   796  C  CB  . VAL A 1 103 ? -34.238 38.633 -22.323 1.00 26.67  ? 104 VAL A CB  1 
ATOM   797  C  CG1 . VAL A 1 103 ? -35.256 39.764 -22.437 1.00 27.90  ? 104 VAL A CG1 1 
ATOM   798  C  CG2 . VAL A 1 103 ? -34.821 37.328 -22.831 1.00 28.72  ? 104 VAL A CG2 1 
ATOM   799  N  N   . ALA A 1 104 ? -31.610 40.388 -21.528 1.00 25.11  ? 105 ALA A N   1 
ATOM   800  C  CA  . ALA A 1 104 ? -31.156 41.664 -20.934 1.00 25.78  ? 105 ALA A CA  1 
ATOM   801  C  C   . ALA A 1 104 ? -30.081 42.328 -21.796 1.00 27.17  ? 105 ALA A C   1 
ATOM   802  O  O   . ALA A 1 104 ? -29.933 43.535 -21.668 1.00 28.83  ? 105 ALA A O   1 
ATOM   803  C  CB  . ALA A 1 104 ? -30.669 41.433 -19.535 1.00 25.62  ? 105 ALA A CB  1 
ATOM   804  N  N   . ALA A 1 105 ? -29.419 41.616 -22.711 1.00 29.02  ? 106 ALA A N   1 
ATOM   805  C  CA  . ALA A 1 105 ? -28.330 42.204 -23.523 1.00 32.07  ? 106 ALA A CA  1 
ATOM   806  C  C   . ALA A 1 105 ? -28.874 43.356 -24.394 1.00 38.44  ? 106 ALA A C   1 
ATOM   807  O  O   . ALA A 1 105 ? -28.333 44.481 -24.301 1.00 36.08  ? 106 ALA A O   1 
ATOM   808  C  CB  . ALA A 1 105 ? -27.647 41.111 -24.302 1.00 35.64  ? 106 ALA A CB  1 
ATOM   809  N  N   . MET A 1 106 ? -29.982 43.157 -25.110 1.00 40.69  ? 107 MET A N   1 
ATOM   810  C  CA  . MET A 1 106 ? -30.600 44.239 -25.936 1.00 46.07  ? 107 MET A CA  1 
ATOM   811  C  C   . MET A 1 106 ? -32.116 44.377 -25.718 1.00 41.02  ? 107 MET A C   1 
ATOM   812  O  O   . MET A 1 106 ? -32.700 45.282 -26.321 1.00 40.05  ? 107 MET A O   1 
ATOM   813  C  CB  . MET A 1 106 ? -30.352 43.967 -27.420 1.00 56.95  ? 107 MET A CB  1 
ATOM   814  C  CG  . MET A 1 106 ? -28.879 43.953 -27.792 1.00 64.23  ? 107 MET A CG  1 
ATOM   815  S  SD  . MET A 1 106 ? -28.609 43.826 -29.591 1.00 74.15  ? 107 MET A SD  1 
ATOM   816  C  CE  . MET A 1 106 ? -29.997 42.831 -30.152 1.00 71.30  ? 107 MET A CE  1 
ATOM   817  N  N   . GLY A 1 107 ? -32.745 43.536 -24.901 1.00 36.33  ? 108 GLY A N   1 
ATOM   818  C  CA  . GLY A 1 107 ? -34.199 43.566 -24.641 1.00 34.72  ? 108 GLY A CA  1 
ATOM   819  C  C   . GLY A 1 107 ? -34.666 44.868 -24.013 1.00 35.10  ? 108 GLY A C   1 
ATOM   820  O  O   . GLY A 1 107 ? -33.893 45.571 -23.342 1.00 37.36  ? 108 GLY A O   1 
ATOM   821  N  N   . ASP A 1 108 ? -35.938 45.180 -24.204 1.00 34.10  ? 109 ASP A N   1 
ATOM   822  C  CA  . ASP A 1 108 ? -36.599 46.332 -23.573 1.00 33.39  ? 109 ASP A CA  1 
ATOM   823  C  C   . ASP A 1 108 ? -37.083 45.900 -22.190 1.00 29.75  ? 109 ASP A C   1 
ATOM   824  O  O   . ASP A 1 108 ? -36.993 44.717 -21.844 1.00 29.60  ? 109 ASP A O   1 
ATOM   825  C  CB  . ASP A 1 108 ? -37.682 46.904 -24.493 1.00 38.69  ? 109 ASP A CB  1 
ATOM   826  C  CG  . ASP A 1 108 ? -38.951 46.073 -24.640 1.00 38.05  ? 109 ASP A CG  1 
ATOM   827  O  OD1 . ASP A 1 108 ? -39.220 45.235 -23.782 1.00 33.91  ? 109 ASP A OD1 1 
ATOM   828  O  OD2 . ASP A 1 108 ? -39.691 46.312 -25.616 1.00 40.79  ? 109 ASP A OD2 1 
ATOM   829  N  N   . LYS A 1 109 ? -37.533 46.870 -21.420 1.00 31.38  ? 110 LYS A N   1 
ATOM   830  C  CA  . LYS A 1 109 ? -37.954 46.734 -20.018 1.00 34.64  ? 110 LYS A CA  1 
ATOM   831  C  C   . LYS A 1 109 ? -39.004 45.628 -19.888 1.00 34.94  ? 110 LYS A C   1 
ATOM   832  O  O   . LYS A 1 109 ? -38.932 44.854 -18.932 1.00 28.85  ? 110 LYS A O   1 
ATOM   833  C  CB  . LYS A 1 109 ? -38.475 48.081 -19.516 1.00 41.58  ? 110 LYS A CB  1 
ATOM   834  C  CG  . LYS A 1 109 ? -38.850 48.092 -18.044 1.00 49.47  ? 110 LYS A CG  1 
ATOM   835  C  CD  . LYS A 1 109 ? -38.993 49.492 -17.433 1.00 61.45  ? 110 LYS A CD  1 
ATOM   836  C  CE  . LYS A 1 109 ? -40.269 50.206 -17.827 1.00 73.71  ? 110 LYS A CE  1 
ATOM   837  N  NZ  . LYS A 1 109 ? -41.462 49.319 -17.770 1.00 74.00  ? 110 LYS A NZ  1 
ATOM   838  N  N   . ASP A 1 110 ? -39.969 45.549 -20.791 1.00 31.05  ? 111 ASP A N   1 
ATOM   839  C  CA  . ASP A 1 110 ? -41.081 44.582 -20.635 1.00 29.29  ? 111 ASP A CA  1 
ATOM   840  C  C   . ASP A 1 110 ? -40.578 43.178 -20.943 1.00 27.29  ? 111 ASP A C   1 
ATOM   841  O  O   . ASP A 1 110 ? -41.009 42.252 -20.247 1.00 26.63  ? 111 ASP A O   1 
ATOM   842  C  CB  . ASP A 1 110 ? -42.281 45.003 -21.465 1.00 31.68  ? 111 ASP A CB  1 
ATOM   843  C  CG  . ASP A 1 110 ? -43.069 46.147 -20.833 1.00 37.26  ? 111 ASP A CG  1 
ATOM   844  O  OD1 . ASP A 1 110 ? -43.006 46.311 -19.590 1.00 37.64  ? 111 ASP A OD1 1 
ATOM   845  O  OD2 . ASP A 1 110 ? -43.762 46.838 -21.579 1.00 39.63  ? 111 ASP A OD2 1 
ATOM   846  N  N   . GLU A 1 111 ? -39.717 43.024 -21.940 1.00 24.00  ? 112 GLU A N   1 
ATOM   847  C  CA  . GLU A 1 111 ? -39.109 41.696 -22.237 1.00 25.74  ? 112 GLU A CA  1 
ATOM   848  C  C   . GLU A 1 111 ? -38.287 41.245 -21.020 1.00 26.07  ? 112 GLU A C   1 
ATOM   849  O  O   . GLU A 1 111 ? -38.391 40.070 -20.571 1.00 24.33  ? 112 GLU A O   1 
ATOM   850  C  CB  . GLU A 1 111 ? -38.246 41.787 -23.477 1.00 26.11  ? 112 GLU A CB  1 
ATOM   851  C  CG  . GLU A 1 111 ? -39.102 41.946 -24.727 1.00 30.97  ? 112 GLU A CG  1 
ATOM   852  C  CD  . GLU A 1 111 ? -38.415 42.596 -25.916 1.00 35.80  ? 112 GLU A CD  1 
ATOM   853  O  OE1 . GLU A 1 111 ? -39.058 42.672 -26.981 1.00 38.41  ? 112 GLU A OE1 1 
ATOM   854  O  OE2 . GLU A 1 111 ? -37.305 43.104 -25.759 1.00 36.31  ? 112 GLU A OE2 1 
ATOM   855  N  N   . ILE A 1 112 ? -37.467 42.146 -20.502 1.00 25.89  ? 113 ILE A N   1 
ATOM   856  C  CA  . ILE A 1 112 ? -36.635 41.804 -19.312 1.00 26.89  ? 113 ILE A CA  1 
ATOM   857  C  C   . ILE A 1 112 ? -37.518 41.471 -18.103 1.00 27.06  ? 113 ILE A C   1 
ATOM   858  O  O   . ILE A 1 112 ? -37.175 40.531 -17.365 1.00 27.41  ? 113 ILE A O   1 
ATOM   859  C  CB  . ILE A 1 112 ? -35.605 42.898 -18.999 1.00 27.95  ? 113 ILE A CB  1 
ATOM   860  C  CG1 . ILE A 1 112 ? -34.605 43.042 -20.154 1.00 26.58  ? 113 ILE A CG1 1 
ATOM   861  C  CG2 . ILE A 1 112 ? -34.906 42.518 -17.692 1.00 29.00  ? 113 ILE A CG2 1 
ATOM   862  C  CD1 . ILE A 1 112 ? -33.728 44.278 -20.089 1.00 29.40  ? 113 ILE A CD1 1 
ATOM   863  N  N   . LYS A 1 113 ? -38.570 42.233 -17.857 1.00 27.30  ? 114 LYS A N   1 
ATOM   864  C  CA  . LYS A 1 113 ? -39.484 41.998 -16.723 1.00 26.68  ? 114 LYS A CA  1 
ATOM   865  C  C   . LYS A 1 113 ? -40.024 40.572 -16.811 1.00 26.73  ? 114 LYS A C   1 
ATOM   866  O  O   . LYS A 1 113 ? -40.077 39.883 -15.798 1.00 24.74  ? 114 LYS A O   1 
ATOM   867  C  CB  . LYS A 1 113 ? -40.604 43.040 -16.719 1.00 30.31  ? 114 LYS A CB  1 
ATOM   868  C  CG  . LYS A 1 113 ? -41.670 42.876 -15.633 1.00 36.06  ? 114 LYS A CG  1 
ATOM   869  C  CD  . LYS A 1 113 ? -42.736 43.982 -15.639 1.00 40.44  ? 114 LYS A CD  1 
ATOM   870  C  CE  . LYS A 1 113 ? -43.767 43.769 -14.546 1.00 51.96  ? 114 LYS A CE  1 
ATOM   871  N  NZ  . LYS A 1 113 ? -44.903 44.728 -14.625 1.00 58.81  ? 114 LYS A NZ  1 
ATOM   872  N  N   . ALA A 1 114 ? -40.416 40.118 -17.996 1.00 26.16  ? 115 ALA A N   1 
ATOM   873  C  CA  . ALA A 1 114 ? -40.968 38.753 -18.175 1.00 27.67  ? 115 ALA A CA  1 
ATOM   874  C  C   . ALA A 1 114 ? -39.903 37.696 -17.832 1.00 29.17  ? 115 ALA A C   1 
ATOM   875  O  O   . ALA A 1 114 ? -40.172 36.697 -17.074 1.00 26.47  ? 115 ALA A O   1 
ATOM   876  C  CB  . ALA A 1 114 ? -41.447 38.630 -19.589 1.00 27.05  ? 115 ALA A CB  1 
ATOM   877  N  N   . GLN A 1 115 ? -38.682 37.880 -18.339 1.00 26.02  ? 116 GLN A N   1 
ATOM   878  C  CA  . GLN A 1 115 ? -37.637 36.865 -18.121 1.00 28.97  ? 116 GLN A CA  1 
ATOM   879  C  C   . GLN A 1 115 ? -37.210 36.872 -16.646 1.00 25.73  ? 116 GLN A C   1 
ATOM   880  O  O   . GLN A 1 115 ? -36.943 35.789 -16.119 1.00 28.05  ? 116 GLN A O   1 
ATOM   881  C  CB  . GLN A 1 115 ? -36.443 37.044 -19.038 1.00 31.91  ? 116 GLN A CB  1 
ATOM   882  C  CG  . GLN A 1 115 ? -36.016 35.722 -19.695 1.00 52.44  ? 116 GLN A CG  1 
ATOM   883  C  CD  . GLN A 1 115 ? -36.538 34.418 -19.096 1.00 59.57  ? 116 GLN A CD  1 
ATOM   884  O  OE1 . GLN A 1 115 ? -37.446 33.773 -19.689 1.00 50.45  ? 116 GLN A OE1 1 
ATOM   885  N  NE2 . GLN A 1 115 ? -35.923 34.005 -17.968 1.00 33.32  ? 116 GLN A NE2 1 
ATOM   886  N  N   . PHE A 1 116 ? -37.182 38.043 -16.025 1.00 26.04  ? 117 PHE A N   1 
ATOM   887  C  CA  . PHE A 1 116 ? -36.787 38.251 -14.620 1.00 26.72  ? 117 PHE A CA  1 
ATOM   888  C  C   . PHE A 1 116 ? -37.796 37.530 -13.717 1.00 28.58  ? 117 PHE A C   1 
ATOM   889  O  O   . PHE A 1 116 ? -37.353 36.892 -12.760 1.00 26.70  ? 117 PHE A O   1 
ATOM   890  C  CB  . PHE A 1 116 ? -36.747 39.750 -14.337 1.00 26.91  ? 117 PHE A CB  1 
ATOM   891  C  CG  . PHE A 1 116 ? -36.483 40.066 -12.894 1.00 27.84  ? 117 PHE A CG  1 
ATOM   892  C  CD1 . PHE A 1 116 ? -35.228 39.838 -12.352 1.00 28.34  ? 117 PHE A CD1 1 
ATOM   893  C  CD2 . PHE A 1 116 ? -37.487 40.551 -12.080 1.00 31.91  ? 117 PHE A CD2 1 
ATOM   894  C  CE1 . PHE A 1 116 ? -34.977 40.149 -11.032 1.00 28.98  ? 117 PHE A CE1 1 
ATOM   895  C  CE2 . PHE A 1 116 ? -37.234 40.842 -10.748 1.00 34.64  ? 117 PHE A CE2 1 
ATOM   896  C  CZ  . PHE A 1 116 ? -35.982 40.626 -10.234 1.00 32.17  ? 117 PHE A CZ  1 
ATOM   897  N  N   . GLY A 1 117 ? -39.091 37.635 -14.030 1.00 26.96  ? 118 GLY A N   1 
ATOM   898  C  CA  . GLY A 1 117 ? -40.181 36.955 -13.272 1.00 28.98  ? 118 GLY A CA  1 
ATOM   899  C  C   . GLY A 1 117 ? -39.977 35.454 -13.255 1.00 26.96  ? 118 GLY A C   1 
ATOM   900  O  O   . GLY A 1 117 ? -40.133 34.845 -12.195 1.00 26.34  ? 118 GLY A O   1 
ATOM   901  N  N   . GLU A 1 118 ? -39.529 34.851 -14.358 1.00 25.40  ? 119 GLU A N   1 
ATOM   902  C  CA  . GLU A 1 118 ? -39.259 33.386 -14.421 1.00 26.89  ? 119 GLU A CA  1 
ATOM   903  C  C   . GLU A 1 118 ? -38.067 33.013 -13.520 1.00 25.02  ? 119 GLU A C   1 
ATOM   904  O  O   . GLU A 1 118 ? -38.030 31.910 -12.913 1.00 23.85  ? 119 GLU A O   1 
ATOM   905  C  CB  . GLU A 1 118 ? -38.945 32.938 -15.849 1.00 29.48  ? 119 GLU A CB  1 
ATOM   906  C  CG  . GLU A 1 118 ? -40.054 33.210 -16.861 1.00 38.63  ? 119 GLU A CG  1 
ATOM   907  C  CD  . GLU A 1 118 ? -41.355 32.553 -16.451 1.00 51.17  ? 119 GLU A CD  1 
ATOM   908  O  OE1 . GLU A 1 118 ? -41.322 31.344 -16.205 1.00 60.57  ? 119 GLU A OE1 1 
ATOM   909  O  OE2 . GLU A 1 118 ? -42.370 33.267 -16.304 1.00 70.07  ? 119 GLU A OE2 1 
ATOM   910  N  N   . VAL A 1 119 ? -37.048 33.856 -13.509 1.00 22.20  ? 120 VAL A N   1 
ATOM   911  C  CA  . VAL A 1 119 ? -35.872 33.619 -12.640 1.00 23.18  ? 120 VAL A CA  1 
ATOM   912  C  C   . VAL A 1 119 ? -36.317 33.739 -11.173 1.00 23.44  ? 120 VAL A C   1 
ATOM   913  O  O   . VAL A 1 119 ? -35.936 32.867 -10.407 1.00 25.00  ? 120 VAL A O   1 
ATOM   914  C  CB  . VAL A 1 119 ? -34.697 34.544 -12.961 1.00 22.99  ? 120 VAL A CB  1 
ATOM   915  C  CG1 . VAL A 1 119 ? -33.585 34.316 -11.940 1.00 25.10  ? 120 VAL A CG1 1 
ATOM   916  C  CG2 . VAL A 1 119 ? -34.186 34.281 -14.375 1.00 23.59  ? 120 VAL A CG2 1 
ATOM   917  N  N   . GLY A 1 120 ? -37.045 34.795 -10.794 1.00 25.53  ? 121 GLY A N   1 
ATOM   918  C  CA  . GLY A 1 120 ? -37.573 34.952 -9.418  1.00 26.22  ? 121 GLY A CA  1 
ATOM   919  C  C   . GLY A 1 120 ? -38.352 33.713 -8.963  1.00 30.17  ? 121 GLY A C   1 
ATOM   920  O  O   . GLY A 1 120 ? -38.135 33.217 -7.830  1.00 27.92  ? 121 GLY A O   1 
ATOM   921  N  N   . LYS A 1 121 ? -39.199 33.169 -9.822  1.00 25.73  ? 122 LYS A N   1 
ATOM   922  C  CA  . LYS A 1 121 ? -39.942 31.922 -9.496  1.00 27.13  ? 122 LYS A CA  1 
ATOM   923  C  C   . LYS A 1 121 ? -38.976 30.773 -9.258  1.00 24.75  ? 122 LYS A C   1 
ATOM   924  O  O   . LYS A 1 121 ? -39.256 29.941 -8.402  1.00 26.80  ? 122 LYS A O   1 
ATOM   925  C  CB  . LYS A 1 121 ? -40.917 31.541 -10.614 1.00 29.85  ? 122 LYS A CB  1 
ATOM   926  C  CG  . LYS A 1 121 ? -42.146 32.424 -10.645 1.00 43.09  ? 122 LYS A CG  1 
ATOM   927  C  CD  . LYS A 1 121 ? -42.890 32.373 -11.964 1.00 58.64  ? 122 LYS A CD  1 
ATOM   928  C  CE  . LYS A 1 121 ? -43.390 30.993 -12.339 1.00 64.16  ? 122 LYS A CE  1 
ATOM   929  N  NZ  . LYS A 1 121 ? -43.974 31.011 -13.705 1.00 74.86  ? 122 LYS A NZ  1 
ATOM   930  N  N   . ALA A 1 122 ? -37.904 30.669 -10.039 1.00 22.71  ? 123 ALA A N   1 
ATOM   931  C  CA  . ALA A 1 122 ? -36.934 29.568 -9.940  1.00 23.52  ? 123 ALA A CA  1 
ATOM   932  C  C   . ALA A 1 122 ? -36.167 29.672 -8.614  1.00 25.64  ? 123 ALA A C   1 
ATOM   933  O  O   . ALA A 1 122 ? -35.937 28.634 -7.973  1.00 26.37  ? 123 ALA A O   1 
ATOM   934  C  CB  . ALA A 1 122 ? -36.002 29.618 -11.127 1.00 25.02  ? 123 ALA A CB  1 
ATOM   935  N  N   . CYS A 1 123 ? -35.801 30.886 -8.212  1.00 24.69  ? 124 CYS A N   1 
ATOM   936  C  CA  . CYS A 1 123 ? -35.110 31.127 -6.920  1.00 24.56  ? 124 CYS A CA  1 
ATOM   937  C  C   . CYS A 1 123 ? -36.058 30.633 -5.796  1.00 27.75  ? 124 CYS A C   1 
ATOM   938  O  O   . CYS A 1 123 ? -35.607 29.861 -4.888  1.00 29.99  ? 124 CYS A O   1 
ATOM   939  C  CB  . CYS A 1 123 ? -34.808 32.605 -6.699  1.00 26.19  ? 124 CYS A CB  1 
ATOM   940  S  SG  . CYS A 1 123 ? -33.770 33.441 -7.902  1.00 26.91  ? 124 CYS A SG  1 
ATOM   941  N  N   . LYS A 1 124 ? -37.320 31.081 -5.849  1.00 26.32  ? 125 LYS A N   1 
ATOM   942  C  CA  . LYS A 1 124 ? -38.345 30.819 -4.791  1.00 29.33  ? 125 LYS A CA  1 
ATOM   943  C  C   . LYS A 1 124 ? -38.653 29.326 -4.672  1.00 27.20  ? 125 LYS A C   1 
ATOM   944  O  O   . LYS A 1 124 ? -38.934 28.893 -3.535  1.00 27.64  ? 125 LYS A O   1 
ATOM   945  C  CB  . LYS A 1 124 ? -39.625 31.619 -5.011  1.00 34.99  ? 125 LYS A CB  1 
ATOM   946  C  CG  . LYS A 1 124 ? -39.871 32.671 -3.940  1.00 52.40  ? 125 LYS A CG  1 
ATOM   947  C  CD  . LYS A 1 124 ? -40.705 33.859 -4.392  1.00 56.89  ? 125 LYS A CD  1 
ATOM   948  C  CE  . LYS A 1 124 ? -42.036 33.431 -4.962  1.00 62.15  ? 125 LYS A CE  1 
ATOM   949  N  NZ  . LYS A 1 124 ? -42.882 34.601 -5.299  1.00 62.67  ? 125 LYS A NZ  1 
ATOM   950  N  N   . ALA A 1 125 ? -38.593 28.566 -5.758  1.00 27.04  ? 126 ALA A N   1 
ATOM   951  C  CA  . ALA A 1 125 ? -38.875 27.116 -5.754  1.00 30.79  ? 126 ALA A CA  1 
ATOM   952  C  C   . ALA A 1 125 ? -37.983 26.376 -4.727  1.00 31.98  ? 126 ALA A C   1 
ATOM   953  O  O   . ALA A 1 125 ? -38.469 25.362 -4.219  1.00 29.70  ? 126 ALA A O   1 
ATOM   954  C  CB  . ALA A 1 125 ? -38.758 26.538 -7.152  1.00 31.94  ? 126 ALA A CB  1 
ATOM   955  N  N   . CYS A 1 126 ? -36.761 26.804 -4.380  1.00 39.37  ? 127 CYS A N   1 
ATOM   956  C  CA  . CYS A 1 126 ? -35.970 26.208 -3.224  1.00 38.76  ? 127 CYS A CA  1 
ATOM   957  C  C   . CYS A 1 126 ? -36.486 26.604 -1.812  1.00 51.28  ? 127 CYS A C   1 
ATOM   958  O  O   . CYS A 1 126 ? -36.172 25.893 -0.846  1.00 52.16  ? 127 CYS A O   1 
ATOM   959  C  CB  . CYS A 1 126 ? -34.483 26.471 -3.393  1.00 48.82  ? 127 CYS A CB  1 
ATOM   960  S  SG  . CYS A 1 126 ? -33.682 25.325 -4.553  1.00 39.53  ? 127 CYS A SG  1 
ATOM   961  N  N   . HIS A 1 127 ? -37.388 27.574 -1.653  1.00 43.88  ? 128 HIS A N   1 
ATOM   962  C  CA  . HIS A 1 127 ? -37.858 28.044 -0.332  1.00 47.67  ? 128 HIS A CA  1 
ATOM   963  C  C   . HIS A 1 127 ? -38.790 27.016 0.313   1.00 52.85  ? 128 HIS A C   1 
ATOM   964  O  O   . HIS A 1 127 ? -39.594 26.318 -0.417  1.00 37.98  ? 128 HIS A O   1 
ATOM   965  C  CB  . HIS A 1 127 ? -38.602 29.397 -0.408  1.00 48.04  ? 128 HIS A CB  1 
ATOM   966  C  CG  . HIS A 1 127 ? -37.764 30.562 -0.824  1.00 51.68  ? 128 HIS A CG  1 
ATOM   967  N  ND1 . HIS A 1 127 ? -36.445 30.417 -1.262  1.00 44.44  ? 128 HIS A ND1 1 
ATOM   968  C  CD2 . HIS A 1 127 ? -38.067 31.885 -0.903  1.00 49.65  ? 128 HIS A CD2 1 
ATOM   969  C  CE1 . HIS A 1 127 ? -35.979 31.620 -1.592  1.00 52.48  ? 128 HIS A CE1 1 
ATOM   970  N  NE2 . HIS A 1 127 ? -36.959 32.537 -1.384  1.00 44.68  ? 128 HIS A NE2 1 
ATOM   971  N  N   . GLU A 1 128 ? -38.680 26.968 1.649   1.00 53.00  ? 129 GLU A N   1 
ATOM   972  C  CA  . GLU A 1 128 ? -39.394 26.055 2.582   1.00 51.36  ? 129 GLU A CA  1 
ATOM   973  C  C   . GLU A 1 128 ? -38.998 24.618 2.248   1.00 50.21  ? 129 GLU A C   1 
ATOM   974  O  O   . GLU A 1 128 ? -38.693 23.887 3.219   1.00 49.38  ? 129 GLU A O   1 
ATOM   975  C  CB  . GLU A 1 128 ? -40.913 26.308 2.554   1.00 54.13  ? 129 GLU A CB  1 
ATOM   976  C  CG  . GLU A 1 128 ? -41.311 27.594 3.289   1.00 54.94  ? 129 GLU A CG  1 
ATOM   977  C  CD  . GLU A 1 128 ? -41.480 28.794 2.386   1.00 53.33  ? 129 GLU A CD  1 
ATOM   978  O  OE1 . GLU A 1 128 ? -40.935 29.867 2.704   1.00 56.24  ? 129 GLU A OE1 1 
ATOM   979  O  OE2 . GLU A 1 128 ? -42.173 28.649 1.360   1.00 71.35  ? 129 GLU A OE2 1 
ATOM   980  N  N   . LYS A 1 129 ? -38.989 24.257 0.946   1.00 44.90  ? 130 LYS A N   1 
ATOM   981  C  CA  . LYS A 1 129 ? -38.486 22.943 0.433   1.00 43.20  ? 130 LYS A CA  1 
ATOM   982  C  C   . LYS A 1 129 ? -37.059 22.663 0.851   1.00 31.95  ? 130 LYS A C   1 
ATOM   983  O  O   . LYS A 1 129 ? -36.897 21.669 1.515   1.00 34.48  ? 130 LYS A O   1 
ATOM   984  C  CB  . LYS A 1 129 ? -38.537 22.827 -1.092  1.00 43.89  ? 130 LYS A CB  1 
ATOM   985  C  CG  . LYS A 1 129 ? -39.932 22.436 -1.561  1.00 54.12  ? 130 LYS A CG  1 
ATOM   986  C  CD  . LYS A 1 129 ? -40.025 21.914 -2.964  1.00 53.33  ? 130 LYS A CD  1 
ATOM   987  C  CE  . LYS A 1 129 ? -41.472 21.579 -3.280  1.00 59.95  ? 130 LYS A CE  1 
ATOM   988  N  NZ  . LYS A 1 129 ? -41.778 21.797 -4.713  1.00 60.68  ? 130 LYS A NZ  1 
ATOM   989  N  N   . PHE A 1 130 ? -36.058 23.445 0.416   1.00 29.29  ? 131 PHE A N   1 
ATOM   990  C  CA  . PHE A 1 130 ? -34.646 23.077 0.705   1.00 28.17  ? 131 PHE A CA  1 
ATOM   991  C  C   . PHE A 1 130 ? -33.940 24.099 1.589   1.00 26.75  ? 131 PHE A C   1 
ATOM   992  O  O   . PHE A 1 130 ? -32.847 23.795 2.042   1.00 25.91  ? 131 PHE A O   1 
ATOM   993  C  CB  . PHE A 1 130 ? -33.883 22.831 -0.593  1.00 29.23  ? 131 PHE A CB  1 
ATOM   994  C  CG  . PHE A 1 130 ? -34.518 21.744 -1.422  1.00 29.91  ? 131 PHE A CG  1 
ATOM   995  C  CD1 . PHE A 1 130 ? -34.926 20.561 -0.828  1.00 28.92  ? 131 PHE A CD1 1 
ATOM   996  C  CD2 . PHE A 1 130 ? -34.787 21.932 -2.768  1.00 35.45  ? 131 PHE A CD2 1 
ATOM   997  C  CE1 . PHE A 1 130 ? -35.529 19.557 -1.566  1.00 31.56  ? 131 PHE A CE1 1 
ATOM   998  C  CE2 . PHE A 1 130 ? -35.406 20.932 -3.510  1.00 35.94  ? 131 PHE A CE2 1 
ATOM   999  C  CZ  . PHE A 1 130 ? -35.819 19.769 -2.903  1.00 35.07  ? 131 PHE A CZ  1 
ATOM   1000 N  N   . ARG A 1 131 ? -34.537 25.263 1.815   1.00 28.04  ? 132 ARG A N   1 
ATOM   1001 C  CA  . ARG A 1 131 ? -33.939 26.296 2.688   1.00 30.58  ? 132 ARG A CA  1 
ATOM   1002 C  C   . ARG A 1 131 ? -34.836 26.532 3.906   1.00 29.43  ? 132 ARG A C   1 
ATOM   1003 O  O   . ARG A 1 131 ? -36.035 26.819 3.722   1.00 27.40  ? 132 ARG A O   1 
ATOM   1004 C  CB  . ARG A 1 131 ? -33.717 27.576 1.884   1.00 29.01  ? 132 ARG A CB  1 
ATOM   1005 C  CG  . ARG A 1 131 ? -32.980 28.651 2.660   1.00 28.87  ? 132 ARG A CG  1 
ATOM   1006 C  CD  . ARG A 1 131 ? -32.851 29.941 1.872   1.00 31.16  ? 132 ARG A CD  1 
ATOM   1007 N  NE  . ARG A 1 131 ? -34.052 30.748 1.836   1.00 32.04  ? 132 ARG A NE  1 
ATOM   1008 C  CZ  . ARG A 1 131 ? -34.154 31.967 1.278   1.00 36.47  ? 132 ARG A CZ  1 
ATOM   1009 N  NH1 . ARG A 1 131 ? -33.134 32.529 0.646   1.00 31.85  ? 132 ARG A NH1 1 
ATOM   1010 N  NH2 . ARG A 1 131 ? -35.309 32.611 1.320   1.00 36.42  ? 132 ARG A NH2 1 
ATOM   1011 N  N   . GLU A 1 132 ? -34.267 26.446 5.100   1.00 28.88  ? 133 GLU A N   1 
ATOM   1012 C  CA  . GLU A 1 132 ? -35.019 26.756 6.355   1.00 34.38  ? 133 GLU A CA  1 
ATOM   1013 C  C   . GLU A 1 132 ? -35.626 28.167 6.282   1.00 36.91  ? 133 GLU A C   1 
ATOM   1014 O  O   . GLU A 1 132 ? -34.924 29.088 5.827   1.00 34.31  ? 133 GLU A O   1 
ATOM   1015 C  CB  . GLU A 1 132 ? -34.087 26.718 7.565   1.00 42.15  ? 133 GLU A CB  1 
ATOM   1016 C  CG  . GLU A 1 132 ? -33.663 25.333 7.997   1.00 46.74  ? 133 GLU A CG  1 
ATOM   1017 C  CD  . GLU A 1 132 ? -32.418 25.304 8.889   1.00 55.07  ? 133 GLU A CD  1 
ATOM   1018 O  OE1 . GLU A 1 132 ? -31.761 24.240 8.945   1.00 56.06  ? 133 GLU A OE1 1 
ATOM   1019 O  OE2 . GLU A 1 132 ? -32.083 26.345 9.515   1.00 51.76  ? 133 GLU A OE2 1 
ATOM   1020 N  N   . GLU A 1 133 ? -36.886 28.367 6.700   1.00 39.77  ? 134 GLU A N   1 
ATOM   1021 C  CA  . GLU A 1 133 ? -37.520 29.715 6.687   1.00 48.18  ? 134 GLU A CA  1 
ATOM   1022 C  C   . GLU A 1 133 ? -36.962 30.523 7.864   1.00 51.70  ? 134 GLU A C   1 
ATOM   1023 O  O   . GLU A 1 133 ? -36.343 29.912 8.750   1.00 51.28  ? 134 GLU A O   1 
ATOM   1024 C  CB  . GLU A 1 133 ? -39.060 29.655 6.646   1.00 52.00  ? 134 GLU A CB  1 
ATOM   1025 C  CG  . GLU A 1 133 ? -39.689 28.673 7.611   1.00 57.28  ? 134 GLU A CG  1 
ATOM   1026 C  CD  . GLU A 1 133 ? -41.217 28.724 7.734   1.00 59.34  ? 134 GLU A CD  1 
ATOM   1027 O  OE1 . GLU A 1 133 ? -41.859 29.666 7.218   1.00 37.64  ? 134 GLU A OE1 1 
ATOM   1028 O  OE2 . GLU A 1 133 ? -41.761 27.835 8.406   1.00 69.14  ? 134 GLU A OE2 1 
ATOM   1029 N  N   . GLU A 1 134 ? -37.124 31.846 7.822   1.00 64.59  ? 135 GLU A N   1 
ATOM   1030 C  CA  . GLU A 1 134 ? -36.652 32.816 8.853   1.00 79.07  ? 135 GLU A CA  1 
ATOM   1031 C  C   . GLU A 1 134 ? -37.518 34.085 8.809   1.00 76.34  ? 135 GLU A C   1 
ATOM   1032 O  O   . GLU A 1 134 ? -38.643 34.098 9.295   1.00 77.61  ? 135 GLU A O   1 
ATOM   1033 C  CB  . GLU A 1 134 ? -35.190 33.197 8.609   1.00 82.56  ? 135 GLU A CB  1 
ATOM   1034 C  CG  . GLU A 1 134 ? -34.196 32.123 9.017   1.00 92.80  ? 135 GLU A CG  1 
ATOM   1035 C  CD  . GLU A 1 134 ? -32.742 32.537 8.847   1.00 107.12 ? 135 GLU A CD  1 
ATOM   1036 O  OE1 . GLU A 1 134 ? -32.506 33.654 8.325   1.00 98.16  ? 135 GLU A OE1 1 
ATOM   1037 O  OE2 . GLU A 1 134 ? -31.845 31.742 9.227   1.00 110.85 ? 135 GLU A OE2 1 
HETATM 1038 N  N   . NO  B 2 .   ? -32.901 30.970 -2.298  1.00 30.89  ? 201 NO  A N   1 
HETATM 1039 O  O   . NO  B 2 .   ? -33.554 29.920 -1.858  1.00 34.51  ? 201 NO  A O   1 
HETATM 1040 C  C1  . ASC C 3 .   ? -37.022 39.101 -6.946  1.00 65.43  ? 202 ASC A C1  1 
HETATM 1041 C  C2  . ASC C 3 .   ? -35.727 39.420 -6.394  1.00 62.27  ? 202 ASC A C2  1 
HETATM 1042 C  C3  . ASC C 3 .   ? -35.168 38.223 -6.021  1.00 60.42  ? 202 ASC A C3  1 
HETATM 1043 C  C4  . ASC C 3 .   ? -35.890 37.160 -6.802  1.00 71.99  ? 202 ASC A C4  1 
HETATM 1044 C  C5  . ASC C 3 .   ? -35.998 35.774 -6.168  1.00 84.87  ? 202 ASC A C5  1 
HETATM 1045 C  C6  . ASC C 3 .   ? -37.303 35.550 -5.428  1.00 78.12  ? 202 ASC A C6  1 
HETATM 1046 O  O1  . ASC C 3 .   ? -37.886 39.839 -7.367  1.00 60.34  ? 202 ASC A O1  1 
HETATM 1047 O  O2  . ASC C 3 .   ? -35.296 40.710 -6.353  1.00 50.93  ? 202 ASC A O2  1 
HETATM 1048 O  O3  . ASC C 3 .   ? -34.184 37.989 -5.169  1.00 55.42  ? 202 ASC A O3  1 
HETATM 1049 O  O4  . ASC C 3 .   ? -37.196 37.752 -6.954  1.00 77.30  ? 202 ASC A O4  1 
HETATM 1050 O  O5  . ASC C 3 .   ? -34.899 35.534 -5.295  1.00 102.28 ? 202 ASC A O5  1 
HETATM 1051 O  O6  . ASC C 3 .   ? -37.098 34.781 -4.249  1.00 85.41  ? 202 ASC A O6  1 
HETATM 1052 C  C1  . ASC D 3 .   ? -33.887 35.759 0.821   1.00 73.59  ? 203 ASC A C1  1 
HETATM 1053 C  C2  . ASC D 3 .   ? -35.208 36.216 0.516   1.00 80.42  ? 203 ASC A C2  1 
HETATM 1054 C  C3  . ASC D 3 .   ? -35.579 35.591 -0.633  1.00 86.68  ? 203 ASC A C3  1 
HETATM 1055 C  C4  . ASC D 3 .   ? -34.370 34.986 -1.268  1.00 83.33  ? 203 ASC A C4  1 
HETATM 1056 C  C5  . ASC D 3 .   ? -33.980 35.803 -2.492  1.00 83.37  ? 203 ASC A C5  1 
HETATM 1057 C  C6  . ASC D 3 .   ? -32.918 36.839 -2.184  1.00 81.15  ? 203 ASC A C6  1 
HETATM 1058 O  O1  . ASC D 3 .   ? -33.247 35.888 1.842   1.00 73.53  ? 203 ASC A O1  1 
HETATM 1059 O  O2  . ASC D 3 .   ? -35.823 37.118 1.329   1.00 95.48  ? 203 ASC A O2  1 
HETATM 1060 O  O3  . ASC D 3 .   ? -36.773 35.496 -1.201  1.00 95.87  ? 203 ASC A O3  1 
HETATM 1061 O  O4  . ASC D 3 .   ? -33.360 35.102 -0.247  1.00 75.53  ? 203 ASC A O4  1 
HETATM 1062 O  O5  . ASC D 3 .   ? -35.130 36.452 -3.024  1.00 102.89 ? 203 ASC A O5  1 
HETATM 1063 O  O6  . ASC D 3 .   ? -33.372 38.158 -2.460  1.00 74.82  ? 203 ASC A O6  1 
HETATM 1064 C  C1  . ASC E 3 .   ? -36.716 33.774 4.513   1.00 82.82  ? 204 ASC A C1  1 
HETATM 1065 C  C2  . ASC E 3 .   ? -37.560 34.355 3.484   1.00 87.08  ? 204 ASC A C2  1 
HETATM 1066 C  C3  . ASC E 3 .   ? -38.631 33.504 3.319   1.00 80.22  ? 204 ASC A C3  1 
HETATM 1067 C  C4  . ASC E 3 .   ? -38.462 32.329 4.225   1.00 70.08  ? 204 ASC A C4  1 
HETATM 1068 C  C5  . ASC E 3 .   ? -38.271 31.097 3.353   1.00 73.23  ? 204 ASC A C5  1 
HETATM 1069 C  C6  . ASC E 3 .   ? -36.873 30.513 3.434   1.00 68.10  ? 204 ASC A C6  1 
HETATM 1070 O  O1  . ASC E 3 .   ? -35.641 34.150 4.935   1.00 79.59  ? 204 ASC A O1  1 
HETATM 1071 O  O2  . ASC E 3 .   ? -37.206 35.516 2.860   1.00 80.67  ? 204 ASC A O2  1 
HETATM 1072 O  O3  . ASC E 3 .   ? -39.673 33.571 2.488   1.00 89.25  ? 204 ASC A O3  1 
HETATM 1073 O  O4  . ASC E 3 .   ? -37.283 32.634 4.994   1.00 74.42  ? 204 ASC A O4  1 
HETATM 1074 O  O5  . ASC E 3 .   ? -38.576 31.441 2.001   1.00 88.36  ? 204 ASC A O5  1 
HETATM 1075 O  O6  . ASC E 3 .   ? -36.709 29.329 2.657   1.00 43.20  ? 204 ASC A O6  1 
HETATM 1076 FE FE  . HEC F 4 .   ? -31.044 30.661 -2.617  1.00 25.01  ? 205 HEC A FE  1 
HETATM 1077 C  CHA . HEC F 4 .   ? -29.647 30.852 0.531   1.00 23.42  ? 205 HEC A CHA 1 
HETATM 1078 C  CHB . HEC F 4 .   ? -31.039 34.088 -2.787  1.00 23.68  ? 205 HEC A CHB 1 
HETATM 1079 C  CHC . HEC F 4 .   ? -31.584 30.423 -5.944  1.00 24.80  ? 205 HEC A CHC 1 
HETATM 1080 C  CHD . HEC F 4 .   ? -31.184 27.188 -2.303  1.00 26.03  ? 205 HEC A CHD 1 
HETATM 1081 N  NA  . HEC F 4 .   ? -30.427 32.200 -1.326  1.00 23.33  ? 205 HEC A NA  1 
HETATM 1082 C  C1A . HEC F 4 .   ? -29.897 32.108 -0.100  1.00 23.38  ? 205 HEC A C1A 1 
HETATM 1083 C  C2A . HEC F 4 .   ? -29.639 33.378 0.523   1.00 24.05  ? 205 HEC A C2A 1 
HETATM 1084 C  C3A . HEC F 4 .   ? -30.064 34.347 -0.474  1.00 23.01  ? 205 HEC A C3A 1 
HETATM 1085 C  C4A . HEC F 4 .   ? -30.546 33.495 -1.549  1.00 25.68  ? 205 HEC A C4A 1 
HETATM 1086 C  CMA . HEC F 4 .   ? -30.048 35.843 -0.431  1.00 26.30  ? 205 HEC A CMA 1 
HETATM 1087 C  CAA . HEC F 4 .   ? -29.022 33.735 1.878   1.00 25.87  ? 205 HEC A CAA 1 
HETATM 1088 C  CBA . HEC F 4 .   ? -27.535 33.605 1.658   1.00 27.69  ? 205 HEC A CBA 1 
HETATM 1089 C  CGA . HEC F 4 .   ? -26.732 33.948 2.941   1.00 34.22  ? 205 HEC A CGA 1 
HETATM 1090 O  O1A . HEC F 4 .   ? -25.969 34.919 2.958   1.00 38.66  ? 205 HEC A O1A 1 
HETATM 1091 O  O2A . HEC F 4 .   ? -26.825 33.242 3.940   1.00 36.28  ? 205 HEC A O2A 1 
HETATM 1092 N  NB  . HEC F 4 .   ? -31.250 32.049 -4.093  1.00 25.27  ? 205 HEC A NB  1 
HETATM 1093 C  C1B . HEC F 4 .   ? -31.277 33.362 -3.996  1.00 26.57  ? 205 HEC A C1B 1 
HETATM 1094 C  C2B . HEC F 4 .   ? -31.525 34.079 -5.280  1.00 27.24  ? 205 HEC A C2B 1 
HETATM 1095 C  C3B . HEC F 4 .   ? -31.672 32.989 -6.214  1.00 24.93  ? 205 HEC A C3B 1 
HETATM 1096 C  C4B . HEC F 4 .   ? -31.474 31.780 -5.396  1.00 24.79  ? 205 HEC A C4B 1 
HETATM 1097 C  CMB . HEC F 4 .   ? -31.610 35.539 -5.463  1.00 28.80  ? 205 HEC A CMB 1 
HETATM 1098 C  CAB . HEC F 4 .   ? -32.015 33.091 -7.662  1.00 24.28  ? 205 HEC A CAB 1 
HETATM 1099 C  CBB . HEC F 4 .   ? -31.221 34.099 -8.405  1.00 24.73  ? 205 HEC A CBB 1 
HETATM 1100 N  NC  . HEC F 4 .   ? -31.318 29.072 -3.908  1.00 27.54  ? 205 HEC A NC  1 
HETATM 1101 C  C1C . HEC F 4 .   ? -31.510 29.166 -5.239  1.00 28.06  ? 205 HEC A C1C 1 
HETATM 1102 C  C2C . HEC F 4 .   ? -31.788 27.861 -5.905  1.00 30.12  ? 205 HEC A C2C 1 
HETATM 1103 C  C3C . HEC F 4 .   ? -31.635 26.901 -4.804  1.00 30.29  ? 205 HEC A C3C 1 
HETATM 1104 C  C4C . HEC F 4 .   ? -31.410 27.758 -3.617  1.00 28.05  ? 205 HEC A C4C 1 
HETATM 1105 C  CMC . HEC F 4 .   ? -32.111 27.703 -7.373  1.00 30.91  ? 205 HEC A CMC 1 
HETATM 1106 C  CAC . HEC F 4 .   ? -31.932 25.429 -4.773  1.00 32.99  ? 205 HEC A CAC 1 
HETATM 1107 C  CBC . HEC F 4 .   ? -31.502 24.686 -5.998  1.00 33.37  ? 205 HEC A CBC 1 
HETATM 1108 N  ND  . HEC F 4 .   ? -30.536 29.305 -1.183  1.00 25.83  ? 205 HEC A ND  1 
HETATM 1109 C  C1D . HEC F 4 .   ? -30.664 27.962 -1.206  1.00 28.54  ? 205 HEC A C1D 1 
HETATM 1110 C  C2D . HEC F 4 .   ? -30.140 27.248 -0.055  1.00 25.01  ? 205 HEC A C2D 1 
HETATM 1111 C  C3D . HEC F 4 .   ? -29.721 28.326 0.803   1.00 27.98  ? 205 HEC A C3D 1 
HETATM 1112 C  C4D . HEC F 4 .   ? -29.979 29.548 0.018   1.00 24.00  ? 205 HEC A C4D 1 
HETATM 1113 C  CMD . HEC F 4 .   ? -30.215 25.780 0.180   1.00 26.60  ? 205 HEC A CMD 1 
HETATM 1114 C  CAD . HEC F 4 .   ? -29.074 28.173 2.147   1.00 25.75  ? 205 HEC A CAD 1 
HETATM 1115 C  CBD . HEC F 4 .   ? -27.558 28.212 1.946   1.00 24.31  ? 205 HEC A CBD 1 
HETATM 1116 C  CGD . HEC F 4 .   ? -26.867 27.981 3.264   1.00 22.34  ? 205 HEC A CGD 1 
HETATM 1117 O  O1D . HEC F 4 .   ? -27.226 28.677 4.245   1.00 23.71  ? 205 HEC A O1D 1 
HETATM 1118 O  O2D . HEC F 4 .   ? -25.972 27.161 3.331   1.00 24.41  ? 205 HEC A O2D 1 
HETATM 1119 O  O   . HOH G 5 .   ? -37.045 48.236 -6.198  1.00 49.54  ? 301 HOH A O   1 
HETATM 1120 O  O   . HOH G 5 .   ? -30.352 10.641 -7.030  1.00 48.35  ? 302 HOH A O   1 
HETATM 1121 O  O   . HOH G 5 .   ? -25.792 26.495 -19.073 1.00 41.10  ? 303 HOH A O   1 
HETATM 1122 O  O   . HOH G 5 .   ? -23.866 25.205 -16.841 1.00 54.75  ? 304 HOH A O   1 
HETATM 1123 O  O   . HOH G 5 .   ? -23.444 17.818 8.965   1.00 33.78  ? 305 HOH A O   1 
HETATM 1124 O  O   . HOH G 5 .   ? -17.789 26.629 10.535  1.00 43.68  ? 306 HOH A O   1 
HETATM 1125 O  O   . HOH G 5 .   ? -29.521 35.823 -15.616 1.00 40.43  ? 307 HOH A O   1 
HETATM 1126 O  O   . HOH G 5 .   ? -25.201 31.708 -19.610 1.00 45.52  ? 308 HOH A O   1 
HETATM 1127 O  O   . HOH G 5 .   ? -28.105 26.811 -6.632  1.00 38.06  ? 309 HOH A O   1 
HETATM 1128 O  O   . HOH G 5 .   ? -37.133 37.947 -3.810  1.00 57.03  ? 310 HOH A O   1 
HETATM 1129 O  O   . HOH G 5 .   ? -27.095 26.717 -10.625 1.00 39.18  ? 311 HOH A O   1 
HETATM 1130 O  O   . HOH G 5 .   ? -25.249 34.354 5.744   1.00 44.80  ? 312 HOH A O   1 
HETATM 1131 O  O   . HOH G 5 .   ? -28.443 30.649 10.126  1.00 49.97  ? 313 HOH A O   1 
HETATM 1132 O  O   . HOH G 5 .   ? -28.391 31.115 4.127   1.00 28.03  ? 314 HOH A O   1 
HETATM 1133 O  O   . HOH G 5 .   ? -28.123 23.024 7.551   1.00 32.31  ? 315 HOH A O   1 
HETATM 1134 O  O   . HOH G 5 .   ? -20.276 30.744 -15.226 1.00 23.64  ? 316 HOH A O   1 
HETATM 1135 O  O   . HOH G 5 .   ? -18.973 18.694 9.048   1.00 40.61  ? 317 HOH A O   1 
HETATM 1136 O  O   . HOH G 5 .   ? -17.945 23.781 -9.309  1.00 39.02  ? 318 HOH A O   1 
HETATM 1137 O  O   . HOH G 5 .   ? -35.766 14.850 -11.841 1.00 24.34  ? 319 HOH A O   1 
HETATM 1138 O  O   . HOH G 5 .   ? -10.278 27.977 4.883   1.00 57.46  ? 320 HOH A O   1 
HETATM 1139 O  O   . HOH G 5 .   ? -45.321 48.722 -20.433 1.00 50.82  ? 321 HOH A O   1 
HETATM 1140 O  O   . HOH G 5 .   ? -22.974 20.218 11.690  1.00 46.12  ? 322 HOH A O   1 
HETATM 1141 O  O   . HOH G 5 .   ? -30.996 40.852 -26.156 1.00 40.79  ? 323 HOH A O   1 
HETATM 1142 O  O   . HOH G 5 .   ? -27.109 40.277 -20.259 1.00 29.91  ? 324 HOH A O   1 
HETATM 1143 O  O   . HOH G 5 .   ? -42.626 36.243 -15.965 1.00 41.38  ? 325 HOH A O   1 
HETATM 1144 O  O   . HOH G 5 .   ? -40.798 24.358 -5.242  1.00 43.46  ? 326 HOH A O   1 
HETATM 1145 O  O   . HOH G 5 .   ? -15.373 23.131 8.146   1.00 36.49  ? 327 HOH A O   1 
HETATM 1146 O  O   . HOH G 5 .   ? -25.322 46.149 -12.718 1.00 29.86  ? 328 HOH A O   1 
HETATM 1147 O  O   . HOH G 5 .   ? -24.027 25.181 -12.712 1.00 35.99  ? 329 HOH A O   1 
HETATM 1148 O  O   . HOH G 5 .   ? -39.179 29.434 -13.266 1.00 27.56  ? 330 HOH A O   1 
HETATM 1149 O  O   . HOH G 5 .   ? -32.670 11.756 -3.495  1.00 42.50  ? 331 HOH A O   1 
HETATM 1150 O  O   . HOH G 5 .   ? -29.951 45.085 -4.813  1.00 31.73  ? 332 HOH A O   1 
HETATM 1151 O  O   . HOH G 5 .   ? -36.272 26.424 -10.331 1.00 30.91  ? 333 HOH A O   1 
HETATM 1152 O  O   . HOH G 5 .   ? -43.514 42.145 -19.037 1.00 31.60  ? 334 HOH A O   1 
HETATM 1153 O  O   . HOH G 5 .   ? -27.195 33.198 -21.662 1.00 41.80  ? 335 HOH A O   1 
HETATM 1154 O  O   . HOH G 5 .   ? -35.335 15.288 6.389   1.00 40.27  ? 336 HOH A O   1 
HETATM 1155 O  O   . HOH G 5 .   ? -28.574 37.789 -26.293 1.00 48.01  ? 337 HOH A O   1 
HETATM 1156 O  O   . HOH G 5 .   ? -36.913 49.500 -22.243 1.00 47.39  ? 338 HOH A O   1 
HETATM 1157 O  O   . HOH G 5 .   ? -16.314 21.800 -3.557  1.00 46.77  ? 339 HOH A O   1 
HETATM 1158 O  O   . HOH G 5 .   ? -19.219 25.166 -13.931 1.00 36.29  ? 340 HOH A O   1 
HETATM 1159 O  O   . HOH G 5 .   ? -27.841 37.741 1.980   1.00 41.35  ? 341 HOH A O   1 
HETATM 1160 O  O   . HOH G 5 .   ? -22.883 35.458 -17.842 1.00 35.06  ? 342 HOH A O   1 
HETATM 1161 O  O   . HOH G 5 .   ? -20.156 31.133 -7.966  1.00 23.67  ? 343 HOH A O   1 
HETATM 1162 O  O   . HOH G 5 .   ? -26.766 48.780 -5.343  1.00 34.38  ? 344 HOH A O   1 
HETATM 1163 O  O   . HOH G 5 .   ? -26.608 51.740 -21.033 1.00 49.91  ? 345 HOH A O   1 
HETATM 1164 O  O   . HOH G 5 .   ? -24.490 26.614 -9.814  1.00 40.59  ? 346 HOH A O   1 
HETATM 1165 O  O   . HOH G 5 .   ? -19.862 24.797 12.103  1.00 38.67  ? 347 HOH A O   1 
HETATM 1166 O  O   . HOH G 5 .   ? -35.996 54.840 -16.056 1.00 52.05  ? 348 HOH A O   1 
HETATM 1167 O  O   . HOH G 5 .   ? -16.128 34.895 7.356   1.00 58.99  ? 349 HOH A O   1 
HETATM 1168 O  O   . HOH G 5 .   ? -21.050 41.514 -17.803 1.00 26.42  ? 350 HOH A O   1 
HETATM 1169 O  O   . HOH G 5 .   ? -35.407 18.407 6.035   1.00 37.49  ? 351 HOH A O   1 
HETATM 1170 O  O   . HOH G 5 .   ? -40.765 47.982 -22.480 1.00 36.84  ? 352 HOH A O   1 
HETATM 1171 O  O   . HOH G 5 .   ? -25.812 31.653 12.737  1.00 51.68  ? 353 HOH A O   1 
HETATM 1172 O  O   . HOH G 5 .   ? -33.614 13.327 -12.430 1.00 38.68  ? 354 HOH A O   1 
HETATM 1173 O  O   . HOH G 5 .   ? -20.308 14.748 3.001   1.00 42.81  ? 355 HOH A O   1 
HETATM 1174 O  O   . HOH G 5 .   ? -29.768 52.412 -21.744 1.00 48.20  ? 356 HOH A O   1 
HETATM 1175 O  O   . HOH G 5 .   ? -43.705 27.800 10.888  1.00 44.09  ? 357 HOH A O   1 
HETATM 1176 O  O   . HOH G 5 .   ? -24.164 35.706 -19.845 1.00 44.78  ? 358 HOH A O   1 
HETATM 1177 O  O   . HOH G 5 .   ? -26.161 35.578 -22.562 1.00 49.55  ? 359 HOH A O   1 
HETATM 1178 O  O   . HOH G 5 .   ? -23.047 32.674 -18.113 1.00 35.47  ? 360 HOH A O   1 
HETATM 1179 O  O   . HOH G 5 .   ? -28.731 20.429 10.866  1.00 49.55  ? 361 HOH A O   1 
HETATM 1180 O  O   . HOH G 5 .   ? -28.220 22.036 -12.809 1.00 50.50  ? 362 HOH A O   1 
HETATM 1181 O  O   . HOH G 5 .   ? -44.243 40.013 -17.461 1.00 44.74  ? 363 HOH A O   1 
HETATM 1182 O  O   . HOH G 5 .   ? -40.734 39.860 -10.423 1.00 41.29  ? 364 HOH A O   1 
HETATM 1183 O  O   . HOH G 5 .   ? -31.034 44.137 -2.656  1.00 40.98  ? 365 HOH A O   1 
HETATM 1184 O  O   . HOH G 5 .   ? -28.523 19.542 -11.558 1.00 51.50  ? 366 HOH A O   1 
HETATM 1185 O  O   . HOH G 5 .   ? -26.201 49.829 -7.908  1.00 41.91  ? 367 HOH A O   1 
HETATM 1186 O  O   . HOH G 5 .   ? -18.390 22.325 11.726  1.00 51.39  ? 368 HOH A O   1 
# 
