data_9MP5
# 
_entry.id   9MP5 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9MP5         pdb_00009mp5 10.2210/pdb9mp5/pdb 
WWPDB D_1000288884 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-05-07 ? 
2 'Structure model' 1 1 2025-05-14 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume'          
2 2 'Structure model' '_citation.page_first'              
3 2 'Structure model' '_citation.page_last'               
4 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9MP5 
_pdbx_database_status.recvd_initial_deposition_date   2024-12-30 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_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_contact_author.id                 2 
_pdbx_contact_author.email              ret6@cornell.edu 
_pdbx_contact_author.name_first         Robert 
_pdbx_contact_author.name_last          Thorne 
_pdbx_contact_author.name_mi            E. 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-7489-8074 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'McLeod, M.J.'     1 0000-0001-5540-916X 
'Indergaard, J.A.' 2 0000-0002-2367-699X 
'Thorne, R.E.'     3 0000-0002-7489-8074 
# 
_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                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Iucrj 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2052-2525 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            12 
_citation.language                  ? 
_citation.page_first                372 
_citation.page_last                 383 
_citation.title                     
;Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution.
;
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1107/S205225252500288X 
_citation.pdbx_database_id_PubMed   40277177 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Indergaard, J.A.' 1 ? 
primary 'Mahmood, K.'      2 ? 
primary 'Gabriel, L.'      3 ? 
primary 'Zhong, G.'        4 ? 
primary 'Lastovka, A.'     5 ? 
primary 'McLeod, M.J.'     6 ? 
primary 'Thorne, R.E.'     7 ? 
# 
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 'Lysozyme C'                              16257.660 1   3.2.1.17 ? ? ? 
2 non-polymer syn 2-acetamido-2-deoxy-alpha-D-glucopyranose 221.208   1   ?        ? ? ? 
3 non-polymer syn 'CHLORIDE ION'                            35.453    4   ?        ? ? ? 
4 non-polymer syn 'SODIUM ION'                              22.990    1   ?        ? ? ? 
5 water       nat water                                     18.015    105 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        '1,4-beta-N-acetylmuramidase C,Allergen Gal d IV' 
# 
_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       
;MRSLLILVLCFLPLAALGKVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRW
WCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MRSLLILVLCFLPLAALGKVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRW
WCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_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 2-acetamido-2-deoxy-alpha-D-glucopyranose NDG 
3 'CHLORIDE ION'                            CL  
4 'SODIUM ION'                              NA  
5 water                                     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   ARG n 
1 3   SER n 
1 4   LEU n 
1 5   LEU n 
1 6   ILE n 
1 7   LEU n 
1 8   VAL n 
1 9   LEU n 
1 10  CYS n 
1 11  PHE n 
1 12  LEU n 
1 13  PRO n 
1 14  LEU n 
1 15  ALA n 
1 16  ALA n 
1 17  LEU n 
1 18  GLY n 
1 19  LYS n 
1 20  VAL n 
1 21  PHE n 
1 22  GLY n 
1 23  ARG n 
1 24  CYS n 
1 25  GLU n 
1 26  LEU n 
1 27  ALA n 
1 28  ALA n 
1 29  ALA n 
1 30  MET n 
1 31  LYS n 
1 32  ARG n 
1 33  HIS n 
1 34  GLY n 
1 35  LEU n 
1 36  ASP n 
1 37  ASN n 
1 38  TYR n 
1 39  ARG n 
1 40  GLY n 
1 41  TYR n 
1 42  SER n 
1 43  LEU n 
1 44  GLY n 
1 45  ASN n 
1 46  TRP n 
1 47  VAL n 
1 48  CYS n 
1 49  ALA n 
1 50  ALA n 
1 51  LYS n 
1 52  PHE n 
1 53  GLU n 
1 54  SER n 
1 55  ASN n 
1 56  PHE n 
1 57  ASN n 
1 58  THR n 
1 59  GLN n 
1 60  ALA n 
1 61  THR n 
1 62  ASN n 
1 63  ARG n 
1 64  ASN n 
1 65  THR n 
1 66  ASP n 
1 67  GLY n 
1 68  SER n 
1 69  THR n 
1 70  ASP n 
1 71  TYR n 
1 72  GLY n 
1 73  ILE n 
1 74  LEU n 
1 75  GLN n 
1 76  ILE n 
1 77  ASN n 
1 78  SER n 
1 79  ARG n 
1 80  TRP n 
1 81  TRP n 
1 82  CYS n 
1 83  ASN n 
1 84  ASP n 
1 85  GLY n 
1 86  ARG n 
1 87  THR n 
1 88  PRO n 
1 89  GLY n 
1 90  SER n 
1 91  ARG n 
1 92  ASN n 
1 93  LEU n 
1 94  CYS n 
1 95  ASN n 
1 96  ILE n 
1 97  PRO n 
1 98  CYS n 
1 99  SER n 
1 100 ALA n 
1 101 LEU n 
1 102 LEU n 
1 103 SER n 
1 104 SER n 
1 105 ASP n 
1 106 ILE n 
1 107 THR n 
1 108 ALA n 
1 109 SER n 
1 110 VAL n 
1 111 ASN n 
1 112 CYS n 
1 113 ALA n 
1 114 LYS n 
1 115 LYS n 
1 116 ILE n 
1 117 VAL n 
1 118 SER n 
1 119 ASP n 
1 120 GLY n 
1 121 ASN n 
1 122 GLY n 
1 123 MET n 
1 124 ASN n 
1 125 ALA n 
1 126 TRP n 
1 127 VAL n 
1 128 ALA n 
1 129 TRP n 
1 130 ARG n 
1 131 ASN n 
1 132 ARG n 
1 133 CYS n 
1 134 LYS n 
1 135 GLY n 
1 136 THR n 
1 137 ASP n 
1 138 VAL n 
1 139 GLN n 
1 140 ALA n 
1 141 TRP n 
1 142 ILE n 
1 143 ARG n 
1 144 GLY n 
1 145 CYS n 
1 146 ARG n 
1 147 LEU 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                   147 
_entity_src_gen.gene_src_common_name               chicken 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 LYZ 
_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      'Gallus gallus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9031 
_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      'Gallus gallus' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     9031 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking'           y ALANINE                                   ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking'           y ARGININE                                  ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking'           y ASPARAGINE                                ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking'           y 'ASPARTIC ACID'                           ? 'C4 H7 N O4'     133.103 
CL  non-polymer                   . 'CHLORIDE ION'                            ? 'Cl -1'          35.453  
CYS 'L-peptide linking'           y CYSTEINE                                  ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking'           y GLUTAMINE                                 ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking'           y 'GLUTAMIC ACID'                           ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'             y GLYCINE                                   ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking'           y HISTIDINE                                 ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer                   . WATER                                     ? 'H2 O'           18.015  
ILE 'L-peptide linking'           y ISOLEUCINE                                ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking'           y LEUCINE                                   ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking'           y LYSINE                                    ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking'           y METHIONINE                                ? 'C5 H11 N O2 S'  149.211 
NA  non-polymer                   . 'SODIUM ION'                              ? 'Na 1'           22.990  
NDG 'D-saccharide, alpha linking' . 2-acetamido-2-deoxy-alpha-D-glucopyranose 
;N-acetyl-alpha-D-glucosamine; 2-acetamido-2-deoxy-alpha-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
;
'C8 H15 N O6'    221.208 
PHE 'L-peptide linking'           y PHENYLALANINE                             ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking'           y PROLINE                                   ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking'           y SERINE                                    ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking'           y THREONINE                                 ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking'           y TRYPTOPHAN                                ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking'           y TYROSINE                                  ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking'           y VALINE                                    ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
NDG 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DGlcpNAca                      
NDG 'COMMON NAME'                         GMML     1.0 N-acetyl-a-D-glucopyranosamine 
NDG 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 a-D-GlcpNAc                    
NDG 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 GlcNAc                         
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   1   ?   ?   ?   A . n 
A 1 2   ARG 2   2   ?   ?   ?   A . n 
A 1 3   SER 3   3   ?   ?   ?   A . n 
A 1 4   LEU 4   4   ?   ?   ?   A . n 
A 1 5   LEU 5   5   ?   ?   ?   A . n 
A 1 6   ILE 6   6   ?   ?   ?   A . n 
A 1 7   LEU 7   7   ?   ?   ?   A . n 
A 1 8   VAL 8   8   ?   ?   ?   A . n 
A 1 9   LEU 9   9   ?   ?   ?   A . n 
A 1 10  CYS 10  10  ?   ?   ?   A . n 
A 1 11  PHE 11  11  ?   ?   ?   A . n 
A 1 12  LEU 12  12  ?   ?   ?   A . n 
A 1 13  PRO 13  13  ?   ?   ?   A . n 
A 1 14  LEU 14  14  ?   ?   ?   A . n 
A 1 15  ALA 15  15  ?   ?   ?   A . n 
A 1 16  ALA 16  16  ?   ?   ?   A . n 
A 1 17  LEU 17  17  ?   ?   ?   A . n 
A 1 18  GLY 18  18  ?   ?   ?   A . n 
A 1 19  LYS 19  19  19  LYS LYS A . n 
A 1 20  VAL 20  20  20  VAL VAL A . n 
A 1 21  PHE 21  21  21  PHE PHE A . n 
A 1 22  GLY 22  22  22  GLY GLY A . n 
A 1 23  ARG 23  23  23  ARG ARG A . n 
A 1 24  CYS 24  24  24  CYS CYS A . n 
A 1 25  GLU 25  25  25  GLU GLU A . n 
A 1 26  LEU 26  26  26  LEU LEU A . n 
A 1 27  ALA 27  27  27  ALA ALA A . n 
A 1 28  ALA 28  28  28  ALA ALA A . n 
A 1 29  ALA 29  29  29  ALA ALA A . n 
A 1 30  MET 30  30  30  MET MET A . n 
A 1 31  LYS 31  31  31  LYS LYS A . n 
A 1 32  ARG 32  32  32  ARG ARG A . n 
A 1 33  HIS 33  33  33  HIS HIS A . n 
A 1 34  GLY 34  34  34  GLY GLY A . n 
A 1 35  LEU 35  35  35  LEU LEU A . n 
A 1 36  ASP 36  36  36  ASP ASP A . n 
A 1 37  ASN 37  37  37  ASN ASN A . n 
A 1 38  TYR 38  38  38  TYR TYR A . n 
A 1 39  ARG 39  39  39  ARG ARG A . n 
A 1 40  GLY 40  40  40  GLY GLY A . n 
A 1 41  TYR 41  41  41  TYR TYR A . n 
A 1 42  SER 42  42  42  SER SER A . n 
A 1 43  LEU 43  43  43  LEU LEU A . n 
A 1 44  GLY 44  44  44  GLY GLY A . n 
A 1 45  ASN 45  45  45  ASN ASN A . n 
A 1 46  TRP 46  46  46  TRP TRP A . n 
A 1 47  VAL 47  47  47  VAL VAL A . n 
A 1 48  CYS 48  48  48  CYS CYS A . n 
A 1 49  ALA 49  49  49  ALA ALA A . n 
A 1 50  ALA 50  50  50  ALA ALA A . n 
A 1 51  LYS 51  51  51  LYS LYS A . n 
A 1 52  PHE 52  52  52  PHE PHE A . n 
A 1 53  GLU 53  53  53  GLU GLU A . n 
A 1 54  SER 54  54  54  SER SER A . n 
A 1 55  ASN 55  55  55  ASN ASN A . n 
A 1 56  PHE 56  56  56  PHE PHE A . n 
A 1 57  ASN 57  57  57  ASN ASN A . n 
A 1 58  THR 58  58  58  THR THR A . n 
A 1 59  GLN 59  59  59  GLN GLN A . n 
A 1 60  ALA 60  60  60  ALA ALA A . n 
A 1 61  THR 61  61  61  THR THR A . n 
A 1 62  ASN 62  62  62  ASN ASN A . n 
A 1 63  ARG 63  63  63  ARG ARG A . n 
A 1 64  ASN 64  64  64  ASN ASN A . n 
A 1 65  THR 65  65  65  THR THR A . n 
A 1 66  ASP 66  66  66  ASP ASP A . n 
A 1 67  GLY 67  67  67  GLY GLY A . n 
A 1 68  SER 68  68  68  SER SER A . n 
A 1 69  THR 69  69  69  THR THR A . n 
A 1 70  ASP 70  70  70  ASP ASP A . n 
A 1 71  TYR 71  71  71  TYR TYR A . n 
A 1 72  GLY 72  72  72  GLY GLY A . n 
A 1 73  ILE 73  73  73  ILE ILE A . n 
A 1 74  LEU 74  74  74  LEU LEU A . n 
A 1 75  GLN 75  75  75  GLN GLN A . n 
A 1 76  ILE 76  76  76  ILE ILE A . n 
A 1 77  ASN 77  77  77  ASN ASN A . n 
A 1 78  SER 78  78  78  SER SER A . n 
A 1 79  ARG 79  79  79  ARG ARG A . n 
A 1 80  TRP 80  80  80  TRP TRP A . n 
A 1 81  TRP 81  81  81  TRP TRP A . n 
A 1 82  CYS 82  82  82  CYS CYS A . n 
A 1 83  ASN 83  83  83  ASN ASN A . n 
A 1 84  ASP 84  84  84  ASP ASP A . n 
A 1 85  GLY 85  85  85  GLY GLY A . n 
A 1 86  ARG 86  86  86  ARG ARG A . n 
A 1 87  THR 87  87  87  THR THR A . n 
A 1 88  PRO 88  88  88  PRO PRO A . n 
A 1 89  GLY 89  89  89  GLY GLY A . n 
A 1 90  SER 90  90  90  SER SER A . n 
A 1 91  ARG 91  91  91  ARG ARG A . n 
A 1 92  ASN 92  92  92  ASN ASN A . n 
A 1 93  LEU 93  93  93  LEU LEU A . n 
A 1 94  CYS 94  94  94  CYS CYS A . n 
A 1 95  ASN 95  95  95  ASN ASN A . n 
A 1 96  ILE 96  96  96  ILE ILE A . n 
A 1 97  PRO 97  97  97  PRO PRO A . n 
A 1 98  CYS 98  98  98  CYS CYS A . n 
A 1 99  SER 99  99  99  SER SER A . n 
A 1 100 ALA 100 100 100 ALA ALA A . n 
A 1 101 LEU 101 101 101 LEU LEU A . n 
A 1 102 LEU 102 102 102 LEU LEU A . n 
A 1 103 SER 103 103 103 SER SER A . n 
A 1 104 SER 104 104 104 SER SER A . n 
A 1 105 ASP 105 105 105 ASP ASP A . n 
A 1 106 ILE 106 106 106 ILE ILE A . n 
A 1 107 THR 107 107 107 THR THR A . n 
A 1 108 ALA 108 108 108 ALA ALA A . n 
A 1 109 SER 109 109 109 SER SER A . n 
A 1 110 VAL 110 110 110 VAL VAL A . n 
A 1 111 ASN 111 111 111 ASN ASN A . n 
A 1 112 CYS 112 112 112 CYS CYS A . n 
A 1 113 ALA 113 113 113 ALA ALA A . n 
A 1 114 LYS 114 114 114 LYS LYS A . n 
A 1 115 LYS 115 115 115 LYS LYS A . n 
A 1 116 ILE 116 116 116 ILE ILE A . n 
A 1 117 VAL 117 117 117 VAL VAL A . n 
A 1 118 SER 118 118 118 SER SER A . n 
A 1 119 ASP 119 119 119 ASP ASP A . n 
A 1 120 GLY 120 120 120 GLY GLY A . n 
A 1 121 ASN 121 121 121 ASN ASN A . n 
A 1 122 GLY 122 122 122 GLY GLY A . n 
A 1 123 MET 123 123 123 MET MET A . n 
A 1 124 ASN 124 124 124 ASN ASN A . n 
A 1 125 ALA 125 125 125 ALA ALA A . n 
A 1 126 TRP 126 126 126 TRP TRP A . n 
A 1 127 VAL 127 127 127 VAL VAL A . n 
A 1 128 ALA 128 128 128 ALA ALA A . n 
A 1 129 TRP 129 129 129 TRP TRP A . n 
A 1 130 ARG 130 130 130 ARG ARG A . n 
A 1 131 ASN 131 131 131 ASN ASN A . n 
A 1 132 ARG 132 132 132 ARG ARG A . n 
A 1 133 CYS 133 133 133 CYS CYS A . n 
A 1 134 LYS 134 134 134 LYS LYS A . n 
A 1 135 GLY 135 135 135 GLY GLY A . n 
A 1 136 THR 136 136 136 THR THR A . n 
A 1 137 ASP 137 137 137 ASP ASP A . n 
A 1 138 VAL 138 138 138 VAL VAL A . n 
A 1 139 GLN 139 139 139 GLN GLN A . n 
A 1 140 ALA 140 140 140 ALA ALA A . n 
A 1 141 TRP 141 141 141 TRP TRP A . n 
A 1 142 ILE 142 142 142 ILE ILE A . n 
A 1 143 ARG 143 143 143 ARG ARG A . n 
A 1 144 GLY 144 144 144 GLY GLY A . n 
A 1 145 CYS 145 145 145 CYS CYS A . n 
A 1 146 ARG 146 146 146 ARG ARG A . n 
A 1 147 LEU 147 147 147 LEU LEU A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        NDG 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   NDG 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 NDG 1   201 201 NDG NDG A . 
C 3 CL  1   202 202 CL  CL  A . 
D 3 CL  1   203 203 CL  CL  A . 
E 3 CL  1   204 204 CL  CL  A . 
F 3 CL  1   205 205 CL  CL  A . 
G 4 NA  1   206 206 NA  NA  A . 
H 5 HOH 1   301 4   HOH HOH A . 
H 5 HOH 2   302 3   HOH HOH A . 
H 5 HOH 3   303 5   HOH HOH A . 
H 5 HOH 4   304 7   HOH HOH A . 
H 5 HOH 5   305 2   HOH HOH A . 
H 5 HOH 6   306 1   HOH HOH A . 
H 5 HOH 7   307 6   HOH HOH A . 
H 5 HOH 8   308 34  HOH HOH A . 
H 5 HOH 9   309 29  HOH HOH A . 
H 5 HOH 10  310 15  HOH HOH A . 
H 5 HOH 11  311 51  HOH HOH A . 
H 5 HOH 12  312 13  HOH HOH A . 
H 5 HOH 13  313 57  HOH HOH A . 
H 5 HOH 14  314 27  HOH HOH A . 
H 5 HOH 15  315 64  HOH HOH A . 
H 5 HOH 16  316 25  HOH HOH A . 
H 5 HOH 17  317 54  HOH HOH A . 
H 5 HOH 18  318 48  HOH HOH A . 
H 5 HOH 19  319 44  HOH HOH A . 
H 5 HOH 20  320 33  HOH HOH A . 
H 5 HOH 21  321 10  HOH HOH A . 
H 5 HOH 22  322 75  HOH HOH A . 
H 5 HOH 23  323 101 HOH HOH A . 
H 5 HOH 24  324 21  HOH HOH A . 
H 5 HOH 25  325 82  HOH HOH A . 
H 5 HOH 26  326 23  HOH HOH A . 
H 5 HOH 27  327 62  HOH HOH A . 
H 5 HOH 28  328 12  HOH HOH A . 
H 5 HOH 29  329 99  HOH HOH A . 
H 5 HOH 30  330 67  HOH HOH A . 
H 5 HOH 31  331 20  HOH HOH A . 
H 5 HOH 32  332 14  HOH HOH A . 
H 5 HOH 33  333 8   HOH HOH A . 
H 5 HOH 34  334 60  HOH HOH A . 
H 5 HOH 35  335 72  HOH HOH A . 
H 5 HOH 36  336 28  HOH HOH A . 
H 5 HOH 37  337 91  HOH HOH A . 
H 5 HOH 38  338 63  HOH HOH A . 
H 5 HOH 39  339 31  HOH HOH A . 
H 5 HOH 40  340 84  HOH HOH A . 
H 5 HOH 41  341 24  HOH HOH A . 
H 5 HOH 42  342 30  HOH HOH A . 
H 5 HOH 43  343 70  HOH HOH A . 
H 5 HOH 44  344 53  HOH HOH A . 
H 5 HOH 45  345 45  HOH HOH A . 
H 5 HOH 46  346 17  HOH HOH A . 
H 5 HOH 47  347 80  HOH HOH A . 
H 5 HOH 48  348 41  HOH HOH A . 
H 5 HOH 49  349 19  HOH HOH A . 
H 5 HOH 50  350 35  HOH HOH A . 
H 5 HOH 51  351 102 HOH HOH A . 
H 5 HOH 52  352 22  HOH HOH A . 
H 5 HOH 53  353 59  HOH HOH A . 
H 5 HOH 54  354 32  HOH HOH A . 
H 5 HOH 55  355 37  HOH HOH A . 
H 5 HOH 56  356 56  HOH HOH A . 
H 5 HOH 57  357 16  HOH HOH A . 
H 5 HOH 58  358 103 HOH HOH A . 
H 5 HOH 59  359 26  HOH HOH A . 
H 5 HOH 60  360 39  HOH HOH A . 
H 5 HOH 61  361 47  HOH HOH A . 
H 5 HOH 62  362 81  HOH HOH A . 
H 5 HOH 63  363 76  HOH HOH A . 
H 5 HOH 64  364 104 HOH HOH A . 
H 5 HOH 65  365 90  HOH HOH A . 
H 5 HOH 66  366 46  HOH HOH A . 
H 5 HOH 67  367 65  HOH HOH A . 
H 5 HOH 68  368 105 HOH HOH A . 
H 5 HOH 69  369 73  HOH HOH A . 
H 5 HOH 70  370 18  HOH HOH A . 
H 5 HOH 71  371 100 HOH HOH A . 
H 5 HOH 72  372 11  HOH HOH A . 
H 5 HOH 73  373 42  HOH HOH A . 
H 5 HOH 74  374 38  HOH HOH A . 
H 5 HOH 75  375 66  HOH HOH A . 
H 5 HOH 76  376 9   HOH HOH A . 
H 5 HOH 77  377 93  HOH HOH A . 
H 5 HOH 78  378 88  HOH HOH A . 
H 5 HOH 79  379 85  HOH HOH A . 
H 5 HOH 80  380 92  HOH HOH A . 
H 5 HOH 81  381 40  HOH HOH A . 
H 5 HOH 82  382 58  HOH HOH A . 
H 5 HOH 83  383 50  HOH HOH A . 
H 5 HOH 84  384 69  HOH HOH A . 
H 5 HOH 85  385 61  HOH HOH A . 
H 5 HOH 86  386 79  HOH HOH A . 
H 5 HOH 87  387 36  HOH HOH A . 
H 5 HOH 88  388 89  HOH HOH A . 
H 5 HOH 89  389 52  HOH HOH A . 
H 5 HOH 90  390 87  HOH HOH A . 
H 5 HOH 91  391 68  HOH HOH A . 
H 5 HOH 92  392 98  HOH HOH A . 
H 5 HOH 93  393 86  HOH HOH A . 
H 5 HOH 94  394 49  HOH HOH A . 
H 5 HOH 95  395 97  HOH HOH A . 
H 5 HOH 96  396 74  HOH HOH A . 
H 5 HOH 97  397 83  HOH HOH A . 
H 5 HOH 98  398 71  HOH HOH A . 
H 5 HOH 99  399 78  HOH HOH A . 
H 5 HOH 100 400 77  HOH HOH A . 
H 5 HOH 101 401 55  HOH HOH A . 
H 5 HOH 102 402 96  HOH HOH A . 
H 5 HOH 103 403 95  HOH HOH A . 
H 5 HOH 104 404 43  HOH HOH A . 
H 5 HOH 105 405 94  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       ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? '(1.21rc1_5170: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? DIALS  ? ? ? .                     2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? DIALS  ? ? ? .                     3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? .                     4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9MP5 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     78.270 
_cell.length_a_esd                 ? 
_cell.length_b                     78.270 
_cell.length_b_esd                 ? 
_cell.length_c                     37.516 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9MP5 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                96 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 43 21 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                   9MP5 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             1.77 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          30.39 
_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          'SMALL TUBES' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              4.6 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;0.1 M sodium acetate pH 4.6, 20 % (w/v) sodium chloride, 5 % PEG 4000. NAG1 soaked at 226 mM in 0.1 M sodium acetate pH 4.6 and 17.5 % (w/v) sodium chloride, 5 % (w/v) PEG 4000, and 10 % (w/v) PEG 400
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 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         2024-04-07 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9793 
_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                        'NSLS-II BEAMLINE 17-ID-2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9793 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   17-ID-2 
_diffrn_source.pdbx_synchrotron_site       NSLS-II 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9MP5 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.97 
_reflns.d_resolution_low                               37.52 
_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                                     8501 
_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                           98.12 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.53 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          6.6 
_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                                0.217 
_reflns.pdbx_Rpim_I_all                                0.081 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.986 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.200 
_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                                    1.97 
_reflns_shell.d_res_low                                     2.00 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.1 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             421 
_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                               3.4 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               1.136 
_reflns_shell.pdbx_Rpim_I_all                               0.421 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.558 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.048 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9MP5 
_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                            1.97 
_refine.ls_d_res_low                             33.83 
_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                     8451 
_refine.ls_number_reflns_R_free                  414 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    97.56 
_refine.ls_percent_reflns_R_free                 4.90 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1941 
_refine.ls_R_factor_R_free                       0.2572 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1909 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 26.71 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.22 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.97 
_refine_hist.d_res_low                        33.83 
_refine_hist.number_atoms_solvent             105 
_refine_hist.number_atoms_total               1125 
_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        1000 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         20 
_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' ? 0.006  ? ?   ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.851  ? ?   ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 14.630 ? 388 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.049  ? 149 ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.008  ? 181 ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.97 2.25  . . 133 2643 99.00 . . . . 0.2192 . . . . . . . . . . . 0.3124 
'X-RAY DIFFRACTION' 2.26 2.84  . . 145 2676 99.00 . . . . 0.2125 . . . . . . . . . . . 0.2689 
'X-RAY DIFFRACTION' 2.84 33.83 . . 136 2718 95.00 . . . . 0.1720 . . . . . . . . . . . 0.2349 
# 
_struct.entry_id                     9MP5 
_struct.title                        'Mix & Quench Time Resolved Lysozyme - NAG1 Complex (50 ms)' 
_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        9MP5 
_struct_keywords.text            'Time resolved, inhibitor, complex, HYDROLASE' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
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 3 ? 
G N N 4 ? 
H N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    LYSC_CHICK 
_struct_ref.pdbx_db_accession          P00698 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MRSLLILVLCFLPLAALGKVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRW
WCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9MP5 
_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                 147 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00698 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  147 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       147 
# 
_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   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 22  ? HIS A 33  ? GLY A 22  HIS A 33  1 ? 12 
HELX_P HELX_P2 AA2 ASN A 37  ? TYR A 41  ? ASN A 37  TYR A 41  5 ? 5  
HELX_P HELX_P3 AA3 SER A 42  ? ASN A 55  ? SER A 42  ASN A 55  1 ? 14 
HELX_P HELX_P4 AA4 PRO A 97  ? SER A 103 ? PRO A 97  SER A 103 5 ? 7  
HELX_P HELX_P5 AA5 ILE A 106 ? SER A 118 ? ILE A 106 SER A 118 1 ? 13 
HELX_P HELX_P6 AA6 ASN A 121 ? ALA A 125 ? ASN A 121 ALA A 125 5 ? 5  
HELX_P HELX_P7 AA7 TRP A 126 ? CYS A 133 ? TRP A 126 CYS A 133 1 ? 8  
HELX_P HELX_P8 AA8 ASP A 137 ? ARG A 143 ? ASP A 137 ARG A 143 5 ? 7  
# 
_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 
disulf1 disulf ? ? A CYS 24 SG ? ? ? 1_555 A CYS 145 SG ? ? A CYS 24  A CYS 145 1_555 ? ? ? ? ? ? ? 2.045 ? ? 
disulf2 disulf ? ? A CYS 48 SG ? ? ? 1_555 A CYS 133 SG ? ? A CYS 48  A CYS 133 1_555 ? ? ? ? ? ? ? 2.047 ? ? 
disulf3 disulf ? ? A CYS 82 SG ? ? ? 1_555 A CYS 98  SG ? ? A CYS 82  A CYS 98  1_555 ? ? ? ? ? ? ? 2.066 ? ? 
disulf4 disulf ? ? A CYS 94 SG ? ? ? 1_555 A CYS 112 SG ? ? A CYS 94  A CYS 112 1_555 ? ? ? ? ? ? ? 2.040 ? ? 
metalc1 metalc ? ? A SER 78 O  ? ? ? 1_555 G NA  .   NA ? ? A SER 78  A NA  206 1_555 ? ? ? ? ? ? ? 2.238 ? ? 
metalc2 metalc ? ? A CYS 82 O  ? ? ? 1_555 G NA  .   NA ? ? A CYS 82  A NA  206 1_555 ? ? ? ? ? ? ? 2.367 ? ? 
metalc3 metalc ? ? A SER 90 OG ? ? ? 1_555 G NA  .   NA ? ? A SER 90  A NA  206 1_555 ? ? ? ? ? ? ? 2.632 ? ? 
metalc4 metalc ? ? A ARG 91 O  ? ? ? 1_555 G NA  .   NA ? ? A ARG 91  A NA  206 1_555 ? ? ? ? ? ? ? 2.449 ? ? 
metalc5 metalc ? ? G NA  .  NA ? ? ? 1_555 H HOH .   O  ? ? A NA  206 A HOH 351 1_555 ? ? ? ? ? ? ? 2.437 ? ? 
metalc6 metalc ? ? G NA  .  NA ? ? ? 1_555 H HOH .   O  ? ? A NA  206 A HOH 358 1_555 ? ? ? ? ? ? ? 2.427 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  O  ? A SER 78 ? A SER 78  ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 O  ? A CYS 82 ? A CYS 82  ? 1_555 90.9  ? 
2  O  ? A SER 78 ? A SER 78  ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 OG ? A SER 90 ? A SER 90  ? 1_555 91.5  ? 
3  O  ? A CYS 82 ? A CYS 82  ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 OG ? A SER 90 ? A SER 90  ? 1_555 166.1 ? 
4  O  ? A SER 78 ? A SER 78  ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 O  ? A ARG 91 ? A ARG 91  ? 1_555 99.4  ? 
5  O  ? A CYS 82 ? A CYS 82  ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 O  ? A ARG 91 ? A ARG 91  ? 1_555 91.9  ? 
6  OG ? A SER 90 ? A SER 90  ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 O  ? A ARG 91 ? A ARG 91  ? 1_555 101.2 ? 
7  O  ? A SER 78 ? A SER 78  ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 O  ? H HOH .  ? A HOH 351 ? 1_555 97.1  ? 
8  O  ? A CYS 82 ? A CYS 82  ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 O  ? H HOH .  ? A HOH 351 ? 1_555 89.2  ? 
9  OG ? A SER 90 ? A SER 90  ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 O  ? H HOH .  ? A HOH 351 ? 1_555 76.9  ? 
10 O  ? A ARG 91 ? A ARG 91  ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 O  ? H HOH .  ? A HOH 351 ? 1_555 163.4 ? 
11 O  ? A SER 78 ? A SER 78  ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 O  ? H HOH .  ? A HOH 358 ? 1_555 169.5 ? 
12 O  ? A CYS 82 ? A CYS 82  ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 O  ? H HOH .  ? A HOH 358 ? 1_555 98.3  ? 
13 OG ? A SER 90 ? A SER 90  ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 O  ? H HOH .  ? A HOH 358 ? 1_555 78.4  ? 
14 O  ? A ARG 91 ? A ARG 91  ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 O  ? H HOH .  ? A HOH 358 ? 1_555 85.4  ? 
15 O  ? H HOH .  ? A HOH 351 ? 1_555 NA ? G NA . ? A NA 206 ? 1_555 O  ? H HOH .  ? A HOH 358 ? 1_555 78.0  ? 
# 
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 CYS A 24 ? CYS A 145 ? CYS A 24 ? 1_555 CYS A 145 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 48 ? CYS A 133 ? CYS A 48 ? 1_555 CYS A 133 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 82 ? CYS A 98  ? CYS A 82 ? 1_555 CYS A 98  ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 94 ? CYS A 112 ? CYS A 94 ? 1_555 CYS A 112 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   3 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 THR A 61 ? ARG A 63 ? THR A 61 ARG A 63 
AA1 2 THR A 69 ? TYR A 71 ? THR A 69 TYR A 71 
AA1 3 ILE A 76 ? ASN A 77 ? ILE A 76 ASN A 77 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ASN A 62 ? N ASN A 62 O ASP A 70 ? O ASP A 70 
AA1 2 3 N TYR A 71 ? N TYR A 71 O ILE A 76 ? O ILE A 76 
# 
_pdbx_entry_details.entry_id                   9MP5 
_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_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    381 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    389 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.06 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    TRP 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     80 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -131.44 
_pdbx_validate_torsion.psi             -34.77 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 356 ? H HOH . 
2 1 A HOH 401 ? H HOH . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET 1  ? A MET 1  
2  1 Y 1 A ARG 2  ? A ARG 2  
3  1 Y 1 A SER 3  ? A SER 3  
4  1 Y 1 A LEU 4  ? A LEU 4  
5  1 Y 1 A LEU 5  ? A LEU 5  
6  1 Y 1 A ILE 6  ? A ILE 6  
7  1 Y 1 A LEU 7  ? A LEU 7  
8  1 Y 1 A VAL 8  ? A VAL 8  
9  1 Y 1 A LEU 9  ? A LEU 9  
10 1 Y 1 A CYS 10 ? A CYS 10 
11 1 Y 1 A PHE 11 ? A PHE 11 
12 1 Y 1 A LEU 12 ? A LEU 12 
13 1 Y 1 A PRO 13 ? A PRO 13 
14 1 Y 1 A LEU 14 ? A LEU 14 
15 1 Y 1 A ALA 15 ? A ALA 15 
16 1 Y 1 A ALA 16 ? A ALA 16 
17 1 Y 1 A LEU 17 ? A LEU 17 
18 1 Y 1 A GLY 18 ? A GLY 18 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N  N N 1   
ALA CA   C  N S 2   
ALA C    C  N N 3   
ALA O    O  N N 4   
ALA CB   C  N N 5   
ALA OXT  O  N N 6   
ALA H    H  N N 7   
ALA H2   H  N N 8   
ALA HA   H  N N 9   
ALA HB1  H  N N 10  
ALA HB2  H  N N 11  
ALA HB3  H  N N 12  
ALA HXT  H  N N 13  
ARG N    N  N N 14  
ARG CA   C  N S 15  
ARG C    C  N N 16  
ARG O    O  N N 17  
ARG CB   C  N N 18  
ARG CG   C  N N 19  
ARG CD   C  N N 20  
ARG NE   N  N N 21  
ARG CZ   C  N N 22  
ARG NH1  N  N N 23  
ARG NH2  N  N N 24  
ARG OXT  O  N N 25  
ARG H    H  N N 26  
ARG H2   H  N N 27  
ARG HA   H  N N 28  
ARG HB2  H  N N 29  
ARG HB3  H  N N 30  
ARG HG2  H  N N 31  
ARG HG3  H  N N 32  
ARG HD2  H  N N 33  
ARG HD3  H  N N 34  
ARG HE   H  N N 35  
ARG HH11 H  N N 36  
ARG HH12 H  N N 37  
ARG HH21 H  N N 38  
ARG HH22 H  N N 39  
ARG HXT  H  N N 40  
ASN N    N  N N 41  
ASN CA   C  N S 42  
ASN C    C  N N 43  
ASN O    O  N N 44  
ASN CB   C  N N 45  
ASN CG   C  N N 46  
ASN OD1  O  N N 47  
ASN ND2  N  N N 48  
ASN OXT  O  N N 49  
ASN H    H  N N 50  
ASN H2   H  N N 51  
ASN HA   H  N N 52  
ASN HB2  H  N N 53  
ASN HB3  H  N N 54  
ASN HD21 H  N N 55  
ASN HD22 H  N N 56  
ASN HXT  H  N N 57  
ASP N    N  N N 58  
ASP CA   C  N S 59  
ASP C    C  N N 60  
ASP O    O  N N 61  
ASP CB   C  N N 62  
ASP CG   C  N N 63  
ASP OD1  O  N N 64  
ASP OD2  O  N N 65  
ASP OXT  O  N N 66  
ASP H    H  N N 67  
ASP H2   H  N N 68  
ASP HA   H  N N 69  
ASP HB2  H  N N 70  
ASP HB3  H  N N 71  
ASP HD2  H  N N 72  
ASP HXT  H  N N 73  
CL  CL   CL N N 74  
CYS N    N  N N 75  
CYS CA   C  N R 76  
CYS C    C  N N 77  
CYS O    O  N N 78  
CYS CB   C  N N 79  
CYS SG   S  N N 80  
CYS OXT  O  N N 81  
CYS H    H  N N 82  
CYS H2   H  N N 83  
CYS HA   H  N N 84  
CYS HB2  H  N N 85  
CYS HB3  H  N N 86  
CYS HG   H  N N 87  
CYS HXT  H  N N 88  
GLN N    N  N N 89  
GLN CA   C  N S 90  
GLN C    C  N N 91  
GLN O    O  N N 92  
GLN CB   C  N N 93  
GLN CG   C  N N 94  
GLN CD   C  N N 95  
GLN OE1  O  N N 96  
GLN NE2  N  N N 97  
GLN OXT  O  N N 98  
GLN H    H  N N 99  
GLN H2   H  N N 100 
GLN HA   H  N N 101 
GLN HB2  H  N N 102 
GLN HB3  H  N N 103 
GLN HG2  H  N N 104 
GLN HG3  H  N N 105 
GLN HE21 H  N N 106 
GLN HE22 H  N N 107 
GLN HXT  H  N N 108 
GLU N    N  N N 109 
GLU CA   C  N S 110 
GLU C    C  N N 111 
GLU O    O  N N 112 
GLU CB   C  N N 113 
GLU CG   C  N N 114 
GLU CD   C  N N 115 
GLU OE1  O  N N 116 
GLU OE2  O  N N 117 
GLU OXT  O  N N 118 
GLU H    H  N N 119 
GLU H2   H  N N 120 
GLU HA   H  N N 121 
GLU HB2  H  N N 122 
GLU HB3  H  N N 123 
GLU HG2  H  N N 124 
GLU HG3  H  N N 125 
GLU HE2  H  N N 126 
GLU HXT  H  N N 127 
GLY N    N  N N 128 
GLY CA   C  N N 129 
GLY C    C  N N 130 
GLY O    O  N N 131 
GLY OXT  O  N N 132 
GLY H    H  N N 133 
GLY H2   H  N N 134 
GLY HA2  H  N N 135 
GLY HA3  H  N N 136 
GLY HXT  H  N N 137 
HIS N    N  N N 138 
HIS CA   C  N S 139 
HIS C    C  N N 140 
HIS O    O  N N 141 
HIS CB   C  N N 142 
HIS CG   C  Y N 143 
HIS ND1  N  Y N 144 
HIS CD2  C  Y N 145 
HIS CE1  C  Y N 146 
HIS NE2  N  Y N 147 
HIS OXT  O  N N 148 
HIS H    H  N N 149 
HIS H2   H  N N 150 
HIS HA   H  N N 151 
HIS HB2  H  N N 152 
HIS HB3  H  N N 153 
HIS HD1  H  N N 154 
HIS HD2  H  N N 155 
HIS HE1  H  N N 156 
HIS HE2  H  N N 157 
HIS HXT  H  N N 158 
HOH O    O  N N 159 
HOH H1   H  N N 160 
HOH H2   H  N N 161 
ILE N    N  N N 162 
ILE CA   C  N S 163 
ILE C    C  N N 164 
ILE O    O  N N 165 
ILE CB   C  N S 166 
ILE CG1  C  N N 167 
ILE CG2  C  N N 168 
ILE CD1  C  N N 169 
ILE OXT  O  N N 170 
ILE H    H  N N 171 
ILE H2   H  N N 172 
ILE HA   H  N N 173 
ILE HB   H  N N 174 
ILE HG12 H  N N 175 
ILE HG13 H  N N 176 
ILE HG21 H  N N 177 
ILE HG22 H  N N 178 
ILE HG23 H  N N 179 
ILE HD11 H  N N 180 
ILE HD12 H  N N 181 
ILE HD13 H  N N 182 
ILE HXT  H  N N 183 
LEU N    N  N N 184 
LEU CA   C  N S 185 
LEU C    C  N N 186 
LEU O    O  N N 187 
LEU CB   C  N N 188 
LEU CG   C  N N 189 
LEU CD1  C  N N 190 
LEU CD2  C  N N 191 
LEU OXT  O  N N 192 
LEU H    H  N N 193 
LEU H2   H  N N 194 
LEU HA   H  N N 195 
LEU HB2  H  N N 196 
LEU HB3  H  N N 197 
LEU HG   H  N N 198 
LEU HD11 H  N N 199 
LEU HD12 H  N N 200 
LEU HD13 H  N N 201 
LEU HD21 H  N N 202 
LEU HD22 H  N N 203 
LEU HD23 H  N N 204 
LEU HXT  H  N N 205 
LYS N    N  N N 206 
LYS CA   C  N S 207 
LYS C    C  N N 208 
LYS O    O  N N 209 
LYS CB   C  N N 210 
LYS CG   C  N N 211 
LYS CD   C  N N 212 
LYS CE   C  N N 213 
LYS NZ   N  N N 214 
LYS OXT  O  N N 215 
LYS H    H  N N 216 
LYS H2   H  N N 217 
LYS HA   H  N N 218 
LYS HB2  H  N N 219 
LYS HB3  H  N N 220 
LYS HG2  H  N N 221 
LYS HG3  H  N N 222 
LYS HD2  H  N N 223 
LYS HD3  H  N N 224 
LYS HE2  H  N N 225 
LYS HE3  H  N N 226 
LYS HZ1  H  N N 227 
LYS HZ2  H  N N 228 
LYS HZ3  H  N N 229 
LYS HXT  H  N N 230 
MET N    N  N N 231 
MET CA   C  N S 232 
MET C    C  N N 233 
MET O    O  N N 234 
MET CB   C  N N 235 
MET CG   C  N N 236 
MET SD   S  N N 237 
MET CE   C  N N 238 
MET OXT  O  N N 239 
MET H    H  N N 240 
MET H2   H  N N 241 
MET HA   H  N N 242 
MET HB2  H  N N 243 
MET HB3  H  N N 244 
MET HG2  H  N N 245 
MET HG3  H  N N 246 
MET HE1  H  N N 247 
MET HE2  H  N N 248 
MET HE3  H  N N 249 
MET HXT  H  N N 250 
NA  NA   NA N N 251 
NDG C1   C  N S 252 
NDG C2   C  N R 253 
NDG C3   C  N R 254 
NDG C4   C  N S 255 
NDG C5   C  N R 256 
NDG C6   C  N N 257 
NDG C7   C  N N 258 
NDG C8   C  N N 259 
NDG O5   O  N N 260 
NDG O3   O  N N 261 
NDG O4   O  N N 262 
NDG O6   O  N N 263 
NDG O7   O  N N 264 
NDG N2   N  N N 265 
NDG O1   O  N N 266 
NDG H1   H  N N 267 
NDG H2   H  N N 268 
NDG H3   H  N N 269 
NDG H4   H  N N 270 
NDG H5   H  N N 271 
NDG H61  H  N N 272 
NDG H62  H  N N 273 
NDG H81  H  N N 274 
NDG H82  H  N N 275 
NDG H83  H  N N 276 
NDG HO3  H  N N 277 
NDG HO4  H  N N 278 
NDG HO6  H  N N 279 
NDG HN2  H  N N 280 
NDG HO1  H  N N 281 
PHE N    N  N N 282 
PHE CA   C  N S 283 
PHE C    C  N N 284 
PHE O    O  N N 285 
PHE CB   C  N N 286 
PHE CG   C  Y N 287 
PHE CD1  C  Y N 288 
PHE CD2  C  Y N 289 
PHE CE1  C  Y N 290 
PHE CE2  C  Y N 291 
PHE CZ   C  Y N 292 
PHE OXT  O  N N 293 
PHE H    H  N N 294 
PHE H2   H  N N 295 
PHE HA   H  N N 296 
PHE HB2  H  N N 297 
PHE HB3  H  N N 298 
PHE HD1  H  N N 299 
PHE HD2  H  N N 300 
PHE HE1  H  N N 301 
PHE HE2  H  N N 302 
PHE HZ   H  N N 303 
PHE HXT  H  N N 304 
PRO N    N  N N 305 
PRO CA   C  N S 306 
PRO C    C  N N 307 
PRO O    O  N N 308 
PRO CB   C  N N 309 
PRO CG   C  N N 310 
PRO CD   C  N N 311 
PRO OXT  O  N N 312 
PRO H    H  N N 313 
PRO HA   H  N N 314 
PRO HB2  H  N N 315 
PRO HB3  H  N N 316 
PRO HG2  H  N N 317 
PRO HG3  H  N N 318 
PRO HD2  H  N N 319 
PRO HD3  H  N N 320 
PRO HXT  H  N N 321 
SER N    N  N N 322 
SER CA   C  N S 323 
SER C    C  N N 324 
SER O    O  N N 325 
SER CB   C  N N 326 
SER OG   O  N N 327 
SER OXT  O  N N 328 
SER H    H  N N 329 
SER H2   H  N N 330 
SER HA   H  N N 331 
SER HB2  H  N N 332 
SER HB3  H  N N 333 
SER HG   H  N N 334 
SER HXT  H  N N 335 
THR N    N  N N 336 
THR CA   C  N S 337 
THR C    C  N N 338 
THR O    O  N N 339 
THR CB   C  N R 340 
THR OG1  O  N N 341 
THR CG2  C  N N 342 
THR OXT  O  N N 343 
THR H    H  N N 344 
THR H2   H  N N 345 
THR HA   H  N N 346 
THR HB   H  N N 347 
THR HG1  H  N N 348 
THR HG21 H  N N 349 
THR HG22 H  N N 350 
THR HG23 H  N N 351 
THR HXT  H  N N 352 
TRP N    N  N N 353 
TRP CA   C  N S 354 
TRP C    C  N N 355 
TRP O    O  N N 356 
TRP CB   C  N N 357 
TRP CG   C  Y N 358 
TRP CD1  C  Y N 359 
TRP CD2  C  Y N 360 
TRP NE1  N  Y N 361 
TRP CE2  C  Y N 362 
TRP CE3  C  Y N 363 
TRP CZ2  C  Y N 364 
TRP CZ3  C  Y N 365 
TRP CH2  C  Y N 366 
TRP OXT  O  N N 367 
TRP H    H  N N 368 
TRP H2   H  N N 369 
TRP HA   H  N N 370 
TRP HB2  H  N N 371 
TRP HB3  H  N N 372 
TRP HD1  H  N N 373 
TRP HE1  H  N N 374 
TRP HE3  H  N N 375 
TRP HZ2  H  N N 376 
TRP HZ3  H  N N 377 
TRP HH2  H  N N 378 
TRP HXT  H  N N 379 
TYR N    N  N N 380 
TYR CA   C  N S 381 
TYR C    C  N N 382 
TYR O    O  N N 383 
TYR CB   C  N N 384 
TYR CG   C  Y N 385 
TYR CD1  C  Y N 386 
TYR CD2  C  Y N 387 
TYR CE1  C  Y N 388 
TYR CE2  C  Y N 389 
TYR CZ   C  Y N 390 
TYR OH   O  N N 391 
TYR OXT  O  N N 392 
TYR H    H  N N 393 
TYR H2   H  N N 394 
TYR HA   H  N N 395 
TYR HB2  H  N N 396 
TYR HB3  H  N N 397 
TYR HD1  H  N N 398 
TYR HD2  H  N N 399 
TYR HE1  H  N N 400 
TYR HE2  H  N N 401 
TYR HH   H  N N 402 
TYR HXT  H  N N 403 
VAL N    N  N N 404 
VAL CA   C  N S 405 
VAL C    C  N N 406 
VAL O    O  N N 407 
VAL CB   C  N N 408 
VAL CG1  C  N N 409 
VAL CG2  C  N N 410 
VAL OXT  O  N N 411 
VAL H    H  N N 412 
VAL H2   H  N N 413 
VAL HA   H  N N 414 
VAL HB   H  N N 415 
VAL HG11 H  N N 416 
VAL HG12 H  N N 417 
VAL HG13 H  N N 418 
VAL HG21 H  N N 419 
VAL HG22 H  N N 420 
VAL HG23 H  N N 421 
VAL HXT  H  N N 422 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
NDG C1  C2   sing N N 237 
NDG C1  O5   sing N N 238 
NDG C1  O1   sing N N 239 
NDG C1  H1   sing N N 240 
NDG C2  C3   sing N N 241 
NDG C2  N2   sing N N 242 
NDG C2  H2   sing N N 243 
NDG C3  C4   sing N N 244 
NDG C3  O3   sing N N 245 
NDG C3  H3   sing N N 246 
NDG C4  C5   sing N N 247 
NDG C4  O4   sing N N 248 
NDG C4  H4   sing N N 249 
NDG C5  C6   sing N N 250 
NDG C5  O5   sing N N 251 
NDG C5  H5   sing N N 252 
NDG C6  O6   sing N N 253 
NDG C6  H61  sing N N 254 
NDG C6  H62  sing N N 255 
NDG C7  C8   sing N N 256 
NDG C7  O7   doub N N 257 
NDG C7  N2   sing N N 258 
NDG C8  H81  sing N N 259 
NDG C8  H82  sing N N 260 
NDG C8  H83  sing N N 261 
NDG O3  HO3  sing N N 262 
NDG O4  HO4  sing N N 263 
NDG O6  HO6  sing N N 264 
NDG N2  HN2  sing N N 265 
NDG O1  HO1  sing N N 266 
PHE N   CA   sing N N 267 
PHE N   H    sing N N 268 
PHE N   H2   sing N N 269 
PHE CA  C    sing N N 270 
PHE CA  CB   sing N N 271 
PHE CA  HA   sing N N 272 
PHE C   O    doub N N 273 
PHE C   OXT  sing N N 274 
PHE CB  CG   sing N N 275 
PHE CB  HB2  sing N N 276 
PHE CB  HB3  sing N N 277 
PHE CG  CD1  doub Y N 278 
PHE CG  CD2  sing Y N 279 
PHE CD1 CE1  sing Y N 280 
PHE CD1 HD1  sing N N 281 
PHE CD2 CE2  doub Y N 282 
PHE CD2 HD2  sing N N 283 
PHE CE1 CZ   doub Y N 284 
PHE CE1 HE1  sing N N 285 
PHE CE2 CZ   sing Y N 286 
PHE CE2 HE2  sing N N 287 
PHE CZ  HZ   sing N N 288 
PHE OXT HXT  sing N N 289 
PRO N   CA   sing N N 290 
PRO N   CD   sing N N 291 
PRO N   H    sing N N 292 
PRO CA  C    sing N N 293 
PRO CA  CB   sing N N 294 
PRO CA  HA   sing N N 295 
PRO C   O    doub N N 296 
PRO C   OXT  sing N N 297 
PRO CB  CG   sing N N 298 
PRO CB  HB2  sing N N 299 
PRO CB  HB3  sing N N 300 
PRO CG  CD   sing N N 301 
PRO CG  HG2  sing N N 302 
PRO CG  HG3  sing N N 303 
PRO CD  HD2  sing N N 304 
PRO CD  HD3  sing N N 305 
PRO OXT HXT  sing N N 306 
SER N   CA   sing N N 307 
SER N   H    sing N N 308 
SER N   H2   sing N N 309 
SER CA  C    sing N N 310 
SER CA  CB   sing N N 311 
SER CA  HA   sing N N 312 
SER C   O    doub N N 313 
SER C   OXT  sing N N 314 
SER CB  OG   sing N N 315 
SER CB  HB2  sing N N 316 
SER CB  HB3  sing N N 317 
SER OG  HG   sing N N 318 
SER OXT HXT  sing N N 319 
THR N   CA   sing N N 320 
THR N   H    sing N N 321 
THR N   H2   sing N N 322 
THR CA  C    sing N N 323 
THR CA  CB   sing N N 324 
THR CA  HA   sing N N 325 
THR C   O    doub N N 326 
THR C   OXT  sing N N 327 
THR CB  OG1  sing N N 328 
THR CB  CG2  sing N N 329 
THR CB  HB   sing N N 330 
THR OG1 HG1  sing N N 331 
THR CG2 HG21 sing N N 332 
THR CG2 HG22 sing N N 333 
THR CG2 HG23 sing N N 334 
THR OXT HXT  sing N N 335 
TRP N   CA   sing N N 336 
TRP N   H    sing N N 337 
TRP N   H2   sing N N 338 
TRP CA  C    sing N N 339 
TRP CA  CB   sing N N 340 
TRP CA  HA   sing N N 341 
TRP C   O    doub N N 342 
TRP C   OXT  sing N N 343 
TRP CB  CG   sing N N 344 
TRP CB  HB2  sing N N 345 
TRP CB  HB3  sing N N 346 
TRP CG  CD1  doub Y N 347 
TRP CG  CD2  sing Y N 348 
TRP CD1 NE1  sing Y N 349 
TRP CD1 HD1  sing N N 350 
TRP CD2 CE2  doub Y N 351 
TRP CD2 CE3  sing Y N 352 
TRP NE1 CE2  sing Y N 353 
TRP NE1 HE1  sing N N 354 
TRP CE2 CZ2  sing Y N 355 
TRP CE3 CZ3  doub Y N 356 
TRP CE3 HE3  sing N N 357 
TRP CZ2 CH2  doub Y N 358 
TRP CZ2 HZ2  sing N N 359 
TRP CZ3 CH2  sing Y N 360 
TRP CZ3 HZ3  sing N N 361 
TRP CH2 HH2  sing N N 362 
TRP OXT HXT  sing N N 363 
TYR N   CA   sing N N 364 
TYR N   H    sing N N 365 
TYR N   H2   sing N N 366 
TYR CA  C    sing N N 367 
TYR CA  CB   sing N N 368 
TYR CA  HA   sing N N 369 
TYR C   O    doub N N 370 
TYR C   OXT  sing N N 371 
TYR CB  CG   sing N N 372 
TYR CB  HB2  sing N N 373 
TYR CB  HB3  sing N N 374 
TYR CG  CD1  doub Y N 375 
TYR CG  CD2  sing Y N 376 
TYR CD1 CE1  sing Y N 377 
TYR CD1 HD1  sing N N 378 
TYR CD2 CE2  doub Y N 379 
TYR CD2 HD2  sing N N 380 
TYR CE1 CZ   doub Y N 381 
TYR CE1 HE1  sing N N 382 
TYR CE2 CZ   sing Y N 383 
TYR CE2 HE2  sing N N 384 
TYR CZ  OH   sing N N 385 
TYR OH  HH   sing N N 386 
TYR OXT HXT  sing N N 387 
VAL N   CA   sing N N 388 
VAL N   H    sing N N 389 
VAL N   H2   sing N N 390 
VAL CA  C    sing N N 391 
VAL CA  CB   sing N N 392 
VAL CA  HA   sing N N 393 
VAL C   O    doub N N 394 
VAL C   OXT  sing N N 395 
VAL CB  CG1  sing N N 396 
VAL CB  CG2  sing N N 397 
VAL CB  HB   sing N N 398 
VAL CG1 HG11 sing N N 399 
VAL CG1 HG12 sing N N 400 
VAL CG1 HG13 sing N N 401 
VAL CG2 HG21 sing N N 402 
VAL CG2 HG22 sing N N 403 
VAL CG2 HG23 sing N N 404 
VAL OXT HXT  sing N N 405 
# 
_pdbx_audit_support.funding_organization   'National Science Foundation (NSF, United States)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           DBI-2210041 
_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   7BHN 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9MP5 
_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]   0.012776 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.012776 
_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]   0.026655 
_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  
CL 
N  
NA 
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . LYS A 1 19  ? 9.694  -2.819  -18.215 1.00 19.20 ? 19  LYS A N   1 
ATOM   2    C  CA  . LYS A 1 19  ? 10.131 -1.864  -19.227 1.00 20.11 ? 19  LYS A CA  1 
ATOM   3    C  C   . LYS A 1 19  ? 11.635 -1.920  -19.408 1.00 19.88 ? 19  LYS A C   1 
ATOM   4    O  O   . LYS A 1 19  ? 12.389 -1.909  -18.441 1.00 21.72 ? 19  LYS A O   1 
ATOM   5    C  CB  . LYS A 1 19  ? 9.717  -0.441  -18.844 1.00 22.70 ? 19  LYS A CB  1 
ATOM   6    C  CG  . LYS A 1 19  ? 10.137 0.620   -19.850 1.00 23.25 ? 19  LYS A CG  1 
ATOM   7    C  CD  . LYS A 1 19  ? 9.575  1.971   -19.452 1.00 23.30 ? 19  LYS A CD  1 
ATOM   8    C  CE  . LYS A 1 19  ? 9.943  3.045   -20.460 1.00 28.79 ? 19  LYS A CE  1 
ATOM   9    N  NZ  . LYS A 1 19  ? 9.441  4.384   -20.019 1.00 32.00 ? 19  LYS A NZ  1 
ATOM   10   N  N   . VAL A 1 20  ? 12.071 -1.970  -20.654 1.00 21.19 ? 20  VAL A N   1 
ATOM   11   C  CA  . VAL A 1 20  ? 13.483 -1.885  -20.986 1.00 22.42 ? 20  VAL A CA  1 
ATOM   12   C  C   . VAL A 1 20  ? 13.726 -0.453  -21.449 1.00 24.04 ? 20  VAL A C   1 
ATOM   13   O  O   . VAL A 1 20  ? 13.207 -0.026  -22.487 1.00 22.93 ? 20  VAL A O   1 
ATOM   14   C  CB  . VAL A 1 20  ? 13.880 -2.918  -22.046 1.00 20.21 ? 20  VAL A CB  1 
ATOM   15   C  CG1 . VAL A 1 20  ? 15.375 -2.859  -22.309 1.00 23.20 ? 20  VAL A CG1 1 
ATOM   16   C  CG2 . VAL A 1 20  ? 13.481 -4.326  -21.594 1.00 19.08 ? 20  VAL A CG2 1 
ATOM   17   N  N   . PHE A 1 21  ? 14.464 0.307   -20.644 1.00 23.85 ? 21  PHE A N   1 
ATOM   18   C  CA  . PHE A 1 21  ? 14.719 1.711   -20.937 1.00 22.16 ? 21  PHE A CA  1 
ATOM   19   C  C   . PHE A 1 21  ? 15.761 1.838   -22.034 1.00 24.11 ? 21  PHE A C   1 
ATOM   20   O  O   . PHE A 1 21  ? 16.649 0.990   -22.177 1.00 19.33 ? 21  PHE A O   1 
ATOM   21   C  CB  . PHE A 1 21  ? 15.245 2.459   -19.705 1.00 23.92 ? 21  PHE A CB  1 
ATOM   22   C  CG  . PHE A 1 21  ? 14.182 3.048   -18.837 1.00 21.40 ? 21  PHE A CG  1 
ATOM   23   C  CD1 . PHE A 1 21  ? 13.549 2.279   -17.886 1.00 21.39 ? 21  PHE A CD1 1 
ATOM   24   C  CD2 . PHE A 1 21  ? 13.841 4.382   -18.954 1.00 21.59 ? 21  PHE A CD2 1 
ATOM   25   C  CE1 . PHE A 1 21  ? 12.583 2.821   -17.070 1.00 21.41 ? 21  PHE A CE1 1 
ATOM   26   C  CE2 . PHE A 1 21  ? 12.880 4.923   -18.150 1.00 20.93 ? 21  PHE A CE2 1 
ATOM   27   C  CZ  . PHE A 1 21  ? 12.247 4.140   -17.201 1.00 22.19 ? 21  PHE A CZ  1 
ATOM   28   N  N   . GLY A 1 22  ? 15.644 2.915   -22.806 1.00 27.10 ? 22  GLY A N   1 
ATOM   29   C  CA  . GLY A 1 22  ? 16.756 3.369   -23.591 1.00 22.71 ? 22  GLY A CA  1 
ATOM   30   C  C   . GLY A 1 22  ? 17.748 4.100   -22.710 1.00 24.29 ? 22  GLY A C   1 
ATOM   31   O  O   . GLY A 1 22  ? 17.407 4.618   -21.647 1.00 26.62 ? 22  GLY A O   1 
ATOM   32   N  N   . ARG A 1 23  ? 19.001 4.100   -23.152 1.00 25.21 ? 23  ARG A N   1 
ATOM   33   C  CA  . ARG A 1 23  ? 20.073 4.763   -22.417 1.00 22.86 ? 23  ARG A CA  1 
ATOM   34   C  C   . ARG A 1 23  ? 19.705 6.209   -22.086 1.00 23.92 ? 23  ARG A C   1 
ATOM   35   O  O   . ARG A 1 23  ? 19.657 6.602   -20.913 1.00 23.34 ? 23  ARG A O   1 
ATOM   36   C  CB  . ARG A 1 23  ? 21.356 4.674   -23.249 1.00 26.07 ? 23  ARG A CB  1 
ATOM   37   C  CG  . ARG A 1 23  ? 22.577 5.243   -22.623 1.00 25.81 ? 23  ARG A CG  1 
ATOM   38   C  CD  . ARG A 1 23  ? 23.797 4.952   -23.486 1.00 27.49 ? 23  ARG A CD  1 
ATOM   39   N  NE  . ARG A 1 23  ? 23.710 5.561   -24.807 1.00 26.96 ? 23  ARG A NE  1 
ATOM   40   C  CZ  . ARG A 1 23  ? 24.117 6.792   -25.098 1.00 26.64 ? 23  ARG A CZ  1 
ATOM   41   N  NH1 . ARG A 1 23  ? 24.604 7.600   -24.172 1.00 23.18 ? 23  ARG A NH1 1 
ATOM   42   N  NH2 . ARG A 1 23  ? 24.032 7.224   -26.352 1.00 27.91 ? 23  ARG A NH2 1 
ATOM   43   N  N   . CYS A 1 24  ? 19.395 7.013   -23.108 1.00 23.76 ? 24  CYS A N   1 
ATOM   44   C  CA  . CYS A 1 24  ? 19.135 8.429   -22.849 1.00 26.56 ? 24  CYS A CA  1 
ATOM   45   C  C   . CYS A 1 24  ? 17.805 8.639   -22.136 1.00 23.32 ? 24  CYS A C   1 
ATOM   46   O  O   . CYS A 1 24  ? 17.683 9.563   -21.326 1.00 23.46 ? 24  CYS A O   1 
ATOM   47   C  CB  . CYS A 1 24  ? 19.194 9.229   -24.152 1.00 26.82 ? 24  CYS A CB  1 
ATOM   48   S  SG  . CYS A 1 24  ? 20.855 9.211   -24.909 1.00 33.21 ? 24  CYS A SG  1 
ATOM   49   N  N   . GLU A 1 25  ? 16.818 7.777   -22.396 1.00 22.24 ? 25  GLU A N   1 
ATOM   50   C  CA  . GLU A 1 25  ? 15.563 7.849   -21.658 1.00 21.40 ? 25  GLU A CA  1 
ATOM   51   C  C   . GLU A 1 25  ? 15.779 7.618   -20.166 1.00 22.75 ? 25  GLU A C   1 
ATOM   52   O  O   . GLU A 1 25  ? 15.186 8.311   -19.333 1.00 20.92 ? 25  GLU A O   1 
ATOM   53   C  CB  . GLU A 1 25  ? 14.568 6.827   -22.217 1.00 25.14 ? 25  GLU A CB  1 
ATOM   54   C  CG  . GLU A 1 25  ? 13.174 6.903   -21.593 1.00 23.38 ? 25  GLU A CG  1 
ATOM   55   C  CD  . GLU A 1 25  ? 12.311 5.703   -21.969 1.00 27.78 ? 25  GLU A CD  1 
ATOM   56   O  OE1 . GLU A 1 25  ? 12.860 4.700   -22.474 1.00 30.84 ? 25  GLU A OE1 1 
ATOM   57   O  OE2 . GLU A 1 25  ? 11.079 5.762   -21.767 1.00 37.25 ? 25  GLU A OE2 1 
ATOM   58   N  N   . LEU A 1 26  ? 16.617 6.643   -19.802 1.00 20.01 ? 26  LEU A N   1 
ATOM   59   C  CA  . LEU A 1 26  ? 16.872 6.409   -18.383 1.00 20.64 ? 26  LEU A CA  1 
ATOM   60   C  C   . LEU A 1 26  ? 17.665 7.558   -17.780 1.00 20.17 ? 26  LEU A C   1 
ATOM   61   O  O   . LEU A 1 26  ? 17.372 8.003   -16.667 1.00 22.46 ? 26  LEU A O   1 
ATOM   62   C  CB  . LEU A 1 26  ? 17.611 5.075   -18.178 1.00 19.70 ? 26  LEU A CB  1 
ATOM   63   C  CG  . LEU A 1 26  ? 17.879 4.663   -16.730 1.00 18.85 ? 26  LEU A CG  1 
ATOM   64   C  CD1 . LEU A 1 26  ? 16.567 4.448   -15.967 1.00 21.18 ? 26  LEU A CD1 1 
ATOM   65   C  CD2 . LEU A 1 26  ? 18.747 3.412   -16.678 1.00 20.16 ? 26  LEU A CD2 1 
ATOM   66   N  N   . ALA A 1 27  ? 18.677 8.047   -18.498 1.00 20.63 ? 27  ALA A N   1 
ATOM   67   C  CA  . ALA A 1 27  ? 19.444 9.188   -18.010 1.00 22.27 ? 27  ALA A CA  1 
ATOM   68   C  C   . ALA A 1 27  ? 18.527 10.358  -17.704 1.00 22.24 ? 27  ALA A C   1 
ATOM   69   O  O   . ALA A 1 27  ? 18.671 11.019  -16.669 1.00 20.01 ? 27  ALA A O   1 
ATOM   70   C  CB  . ALA A 1 27  ? 20.503 9.582   -19.034 1.00 24.32 ? 27  ALA A CB  1 
ATOM   71   N  N   . ALA A 1 28  ? 17.539 10.591  -18.566 1.00 22.61 ? 28  ALA A N   1 
ATOM   72   C  CA  . ALA A 1 28  ? 16.630 11.707  -18.362 1.00 17.36 ? 28  ALA A CA  1 
ATOM   73   C  C   . ALA A 1 28  ? 15.729 11.476  -17.156 1.00 20.90 ? 28  ALA A C   1 
ATOM   74   O  O   . ALA A 1 28  ? 15.432 12.416  -16.410 1.00 21.90 ? 28  ALA A O   1 
ATOM   75   C  CB  . ALA A 1 28  ? 15.810 11.936  -19.627 1.00 19.76 ? 28  ALA A CB  1 
ATOM   76   N  N   . ALA A 1 29  ? 15.282 10.236  -16.939 1.00 21.72 ? 29  ALA A N   1 
ATOM   77   C  CA  . ALA A 1 29  ? 14.433 9.974   -15.780 1.00 21.31 ? 29  ALA A CA  1 
ATOM   78   C  C   . ALA A 1 29  ? 15.247 10.023  -14.498 1.00 21.46 ? 29  ALA A C   1 
ATOM   79   O  O   . ALA A 1 29  ? 14.774 10.512  -13.465 1.00 23.30 ? 29  ALA A O   1 
ATOM   80   C  CB  . ALA A 1 29  ? 13.737 8.619   -15.926 1.00 21.45 ? 29  ALA A CB  1 
ATOM   81   N  N   . MET A 1 30  ? 16.480 9.525   -14.553 1.00 20.29 ? 30  MET A N   1 
ATOM   82   C  CA  . MET A 1 30  ? 17.360 9.594   -13.393 1.00 22.69 ? 30  MET A CA  1 
ATOM   83   C  C   . MET A 1 30  ? 17.677 11.034  -13.012 1.00 20.54 ? 30  MET A C   1 
ATOM   84   O  O   . MET A 1 30  ? 17.740 11.365  -11.822 1.00 23.66 ? 30  MET A O   1 
ATOM   85   C  CB  . MET A 1 30  ? 18.641 8.826   -13.676 1.00 19.18 ? 30  MET A CB  1 
ATOM   86   C  CG  . MET A 1 30  ? 18.489 7.328   -13.519 1.00 20.06 ? 30  MET A CG  1 
ATOM   87   S  SD  . MET A 1 30  ? 20.074 6.611   -13.847 1.00 20.43 ? 30  MET A SD  1 
ATOM   88   C  CE  . MET A 1 30  ? 19.919 5.020   -13.046 1.00 17.59 ? 30  MET A CE  1 
ATOM   89   N  N   . LYS A 1 31  ? 17.899 11.894  -14.006 1.00 18.54 ? 31  LYS A N   1 
ATOM   90   C  CA  . LYS A 1 31  ? 18.158 13.310  -13.738 1.00 22.36 ? 31  LYS A CA  1 
ATOM   91   C  C   . LYS A 1 31  ? 16.961 13.979  -13.076 1.00 24.99 ? 31  LYS A C   1 
ATOM   92   O  O   . LYS A 1 31  ? 17.114 14.713  -12.092 1.00 26.99 ? 31  LYS A O   1 
ATOM   93   C  CB  . LYS A 1 31  ? 18.508 14.030  -15.037 1.00 23.13 ? 31  LYS A CB  1 
ATOM   94   C  CG  . LYS A 1 31  ? 18.896 15.493  -14.863 1.00 27.35 ? 31  LYS A CG  1 
ATOM   95   C  CD  . LYS A 1 31  ? 19.122 16.121  -16.228 1.00 35.13 ? 31  LYS A CD  1 
ATOM   96   C  CE  . LYS A 1 31  ? 19.624 17.549  -16.151 1.00 36.62 ? 31  LYS A CE  1 
ATOM   97   N  NZ  . LYS A 1 31  ? 21.035 17.588  -15.712 1.00 37.77 ? 31  LYS A NZ  1 
ATOM   98   N  N   . ARG A 1 32  ? 15.753 13.721  -13.597 1.00 23.56 ? 32  ARG A N   1 
ATOM   99   C  CA  . ARG A 1 32  ? 14.552 14.381  -13.083 1.00 24.44 ? 32  ARG A CA  1 
ATOM   100  C  C   . ARG A 1 32  ? 14.263 13.965  -11.647 1.00 25.82 ? 32  ARG A C   1 
ATOM   101  O  O   . ARG A 1 32  ? 13.823 14.785  -10.831 1.00 25.20 ? 32  ARG A O   1 
ATOM   102  C  CB  . ARG A 1 32  ? 13.354 14.072  -13.989 1.00 28.82 ? 32  ARG A CB  1 
ATOM   103  C  CG  . ARG A 1 32  ? 12.002 14.452  -13.381 1.00 28.12 ? 32  ARG A CG  1 
ATOM   104  C  CD  . ARG A 1 32  ? 10.850 14.317  -14.367 1.00 28.95 ? 32  ARG A CD  1 
ATOM   105  N  NE  . ARG A 1 32  ? 10.788 12.993  -14.973 1.00 31.06 ? 32  ARG A NE  1 
ATOM   106  C  CZ  . ARG A 1 32  ? 10.064 11.985  -14.505 1.00 32.99 ? 32  ARG A CZ  1 
ATOM   107  N  NH1 . ARG A 1 32  ? 9.282  12.126  -13.447 1.00 29.23 ? 32  ARG A NH1 1 
ATOM   108  N  NH2 . ARG A 1 32  ? 10.140 10.800  -15.106 1.00 34.52 ? 32  ARG A NH2 1 
ATOM   109  N  N   . HIS A 1 33  ? 14.530 12.704  -11.308 1.00 23.39 ? 33  HIS A N   1 
ATOM   110  C  CA  . HIS A 1 33  ? 14.407 12.262  -9.929  1.00 23.92 ? 33  HIS A CA  1 
ATOM   111  C  C   . HIS A 1 33  ? 15.618 12.631  -9.080  1.00 25.39 ? 33  HIS A C   1 
ATOM   112  O  O   . HIS A 1 33  ? 15.706 12.180  -7.930  1.00 27.83 ? 33  HIS A O   1 
ATOM   113  C  CB  . HIS A 1 33  ? 14.146 10.757  -9.880  1.00 21.56 ? 33  HIS A CB  1 
ATOM   114  C  CG  . HIS A 1 33  ? 12.752 10.383  -10.285 1.00 25.74 ? 33  HIS A CG  1 
ATOM   115  N  ND1 . HIS A 1 33  ? 12.463 9.778   -11.491 1.00 24.83 ? 33  HIS A ND1 1 
ATOM   116  C  CD2 . HIS A 1 33  ? 11.566 10.552  -9.654  1.00 23.59 ? 33  HIS A CD2 1 
ATOM   117  C  CE1 . HIS A 1 33  ? 11.159 9.581   -11.580 1.00 29.27 ? 33  HIS A CE1 1 
ATOM   118  N  NE2 . HIS A 1 33  ? 10.593 10.038  -10.477 1.00 31.18 ? 33  HIS A NE2 1 
ATOM   119  N  N   . GLY A 1 34  ? 16.534 13.437  -9.618  1.00 25.33 ? 34  GLY A N   1 
ATOM   120  C  CA  . GLY A 1 34  ? 17.580 14.048  -8.819  1.00 25.33 ? 34  GLY A CA  1 
ATOM   121  C  C   . GLY A 1 34  ? 18.788 13.190  -8.531  1.00 25.46 ? 34  GLY A C   1 
ATOM   122  O  O   . GLY A 1 34  ? 19.427 13.374  -7.493  1.00 26.86 ? 34  GLY A O   1 
ATOM   123  N  N   . LEU A 1 35  ? 19.136 12.268  -9.424  1.00 20.41 ? 35  LEU A N   1 
ATOM   124  C  CA  . LEU A 1 35  ? 20.285 11.399  -9.184  1.00 24.72 ? 35  LEU A CA  1 
ATOM   125  C  C   . LEU A 1 35  ? 21.603 11.998  -9.669  1.00 26.02 ? 35  LEU A C   1 
ATOM   126  O  O   . LEU A 1 35  ? 22.663 11.648  -9.126  1.00 23.63 ? 35  LEU A O   1 
ATOM   127  C  CB  . LEU A 1 35  ? 20.072 10.041  -9.857  1.00 20.94 ? 35  LEU A CB  1 
ATOM   128  C  CG  . LEU A 1 35  ? 19.571 8.831   -9.079  1.00 23.02 ? 35  LEU A CG  1 
ATOM   129  C  CD1 . LEU A 1 35  ? 19.783 7.606   -9.955  1.00 18.38 ? 35  LEU A CD1 1 
ATOM   130  C  CD2 . LEU A 1 35  ? 20.256 8.638   -7.724  1.00 17.96 ? 35  LEU A CD2 1 
ATOM   131  N  N   . ASP A 1 36  ? 21.560 12.860  -10.693 1.00 23.60 ? 36  ASP A N   1 
ATOM   132  C  CA  . ASP A 1 36  ? 22.740 13.549  -11.207 1.00 27.87 ? 36  ASP A CA  1 
ATOM   133  C  C   . ASP A 1 36  ? 23.490 14.232  -10.070 1.00 31.59 ? 36  ASP A C   1 
ATOM   134  O  O   . ASP A 1 36  ? 22.943 15.100  -9.384  1.00 29.45 ? 36  ASP A O   1 
ATOM   135  C  CB  . ASP A 1 36  ? 22.327 14.577  -12.276 1.00 25.29 ? 36  ASP A CB  1 
ATOM   136  C  CG  . ASP A 1 36  ? 23.517 15.110  -13.104 1.00 39.57 ? 36  ASP A CG  1 
ATOM   137  O  OD1 . ASP A 1 36  ? 24.683 14.669  -12.897 1.00 33.34 ? 36  ASP A OD1 1 
ATOM   138  O  OD2 . ASP A 1 36  ? 23.276 15.980  -13.986 1.00 36.77 ? 36  ASP A OD2 1 
ATOM   139  N  N   . ASN A 1 37  ? 24.737 13.804  -9.865  1.00 27.49 ? 37  ASN A N   1 
ATOM   140  C  CA  . ASN A 1 37  ? 25.624 14.254  -8.789  1.00 26.68 ? 37  ASN A CA  1 
ATOM   141  C  C   . ASN A 1 37  ? 25.063 13.997  -7.390  1.00 23.31 ? 37  ASN A C   1 
ATOM   142  O  O   . ASN A 1 37  ? 25.485 14.637  -6.423  1.00 22.78 ? 37  ASN A O   1 
ATOM   143  C  CB  . ASN A 1 37  ? 26.008 15.729  -8.939  1.00 29.42 ? 37  ASN A CB  1 
ATOM   144  C  CG  . ASN A 1 37  ? 27.511 15.952  -8.738  1.00 37.95 ? 37  ASN A CG  1 
ATOM   145  O  OD1 . ASN A 1 37  ? 28.342 15.230  -9.311  1.00 37.81 ? 37  ASN A OD1 1 
ATOM   146  N  ND2 . ASN A 1 37  ? 27.865 16.930  -7.899  1.00 40.51 ? 37  ASN A ND2 1 
ATOM   147  N  N   . TYR A 1 38  ? 24.160 13.037  -7.224  1.00 22.86 ? 38  TYR A N   1 
ATOM   148  C  CA  . TYR A 1 38  ? 23.744 12.683  -5.876  1.00 19.39 ? 38  TYR A CA  1 
ATOM   149  C  C   . TYR A 1 38  ? 24.918 12.037  -5.145  1.00 23.84 ? 38  TYR A C   1 
ATOM   150  O  O   . TYR A 1 38  ? 25.529 11.087  -5.649  1.00 20.48 ? 38  TYR A O   1 
ATOM   151  C  CB  . TYR A 1 38  ? 22.540 11.739  -5.888  1.00 21.21 ? 38  TYR A CB  1 
ATOM   152  C  CG  . TYR A 1 38  ? 21.909 11.634  -4.515  1.00 20.67 ? 38  TYR A CG  1 
ATOM   153  C  CD1 . TYR A 1 38  ? 20.940 12.544  -4.103  1.00 22.78 ? 38  TYR A CD1 1 
ATOM   154  C  CD2 . TYR A 1 38  ? 22.309 10.654  -3.616  1.00 19.74 ? 38  TYR A CD2 1 
ATOM   155  C  CE1 . TYR A 1 38  ? 20.376 12.461  -2.840  1.00 23.64 ? 38  TYR A CE1 1 
ATOM   156  C  CE2 . TYR A 1 38  ? 21.758 10.567  -2.354  1.00 21.21 ? 38  TYR A CE2 1 
ATOM   157  C  CZ  . TYR A 1 38  ? 20.798 11.474  -1.972  1.00 23.62 ? 38  TYR A CZ  1 
ATOM   158  O  OH  . TYR A 1 38  ? 20.252 11.378  -0.725  1.00 23.22 ? 38  TYR A OH  1 
ATOM   159  N  N   . ARG A 1 39  ? 25.230 12.562  -3.956  1.00 22.48 ? 39  ARG A N   1 
ATOM   160  C  CA  . ARG A 1 39  ? 26.401 12.154  -3.180  1.00 20.89 ? 39  ARG A CA  1 
ATOM   161  C  C   . ARG A 1 39  ? 27.684 12.269  -3.994  1.00 20.29 ? 39  ARG A C   1 
ATOM   162  O  O   . ARG A 1 39  ? 28.641 11.511  -3.783  1.00 23.25 ? 39  ARG A O   1 
ATOM   163  C  CB  . ARG A 1 39  ? 26.238 10.736  -2.631  1.00 17.52 ? 39  ARG A CB  1 
ATOM   164  C  CG  . ARG A 1 39  ? 25.495 10.687  -1.336  1.00 22.58 ? 39  ARG A CG  1 
ATOM   165  C  CD  . ARG A 1 39  ? 26.460 10.684  -0.185  1.00 25.40 ? 39  ARG A CD  1 
ATOM   166  N  NE  . ARG A 1 39  ? 25.810 11.082  1.054   1.00 30.97 ? 39  ARG A NE  1 
ATOM   167  C  CZ  . ARG A 1 39  ? 26.188 10.658  2.251   1.00 36.15 ? 39  ARG A CZ  1 
ATOM   168  N  NH1 . ARG A 1 39  ? 27.201 9.811   2.397   1.00 36.08 ? 39  ARG A NH1 1 
ATOM   169  N  NH2 . ARG A 1 39  ? 25.526 11.080  3.325   1.00 34.75 ? 39  ARG A NH2 1 
ATOM   170  N  N   . GLY A 1 40  ? 27.723 13.222  -4.924  1.00 22.22 ? 40  GLY A N   1 
ATOM   171  C  CA  . GLY A 1 40  ? 28.906 13.442  -5.738  1.00 23.00 ? 40  GLY A CA  1 
ATOM   172  C  C   . GLY A 1 40  ? 29.075 12.514  -6.926  1.00 20.79 ? 40  GLY A C   1 
ATOM   173  O  O   . GLY A 1 40  ? 30.090 12.623  -7.634  1.00 19.50 ? 40  GLY A O   1 
ATOM   174  N  N   . TYR A 1 41  ? 28.116 11.618  -7.179  1.00 19.85 ? 41  TYR A N   1 
ATOM   175  C  CA  . TYR A 1 41  ? 28.198 10.664  -8.287  1.00 19.95 ? 41  TYR A CA  1 
ATOM   176  C  C   . TYR A 1 41  ? 27.489 11.235  -9.513  1.00 20.49 ? 41  TYR A C   1 
ATOM   177  O  O   . TYR A 1 41  ? 26.259 11.360  -9.529  1.00 19.38 ? 41  TYR A O   1 
ATOM   178  C  CB  . TYR A 1 41  ? 27.602 9.316   -7.882  1.00 19.18 ? 41  TYR A CB  1 
ATOM   179  C  CG  . TYR A 1 41  ? 28.475 8.591   -6.892  1.00 16.73 ? 41  TYR A CG  1 
ATOM   180  C  CD1 . TYR A 1 41  ? 29.546 7.814   -7.325  1.00 16.70 ? 41  TYR A CD1 1 
ATOM   181  C  CD2 . TYR A 1 41  ? 28.242 8.699   -5.524  1.00 16.96 ? 41  TYR A CD2 1 
ATOM   182  C  CE1 . TYR A 1 41  ? 30.360 7.160   -6.425  1.00 18.08 ? 41  TYR A CE1 1 
ATOM   183  C  CE2 . TYR A 1 41  ? 29.050 8.043   -4.605  1.00 17.61 ? 41  TYR A CE2 1 
ATOM   184  C  CZ  . TYR A 1 41  ? 30.115 7.274   -5.066  1.00 17.22 ? 41  TYR A CZ  1 
ATOM   185  O  OH  . TYR A 1 41  ? 30.931 6.632   -4.170  1.00 14.86 ? 41  TYR A OH  1 
ATOM   186  N  N   . SER A 1 42  ? 28.271 11.568  -10.538 1.00 20.89 ? 42  SER A N   1 
ATOM   187  C  CA  . SER A 1 42  ? 27.746 12.092  -11.791 1.00 18.58 ? 42  SER A CA  1 
ATOM   188  C  C   . SER A 1 42  ? 26.748 11.120  -12.420 1.00 23.35 ? 42  SER A C   1 
ATOM   189  O  O   . SER A 1 42  ? 26.762 9.918   -12.152 1.00 20.22 ? 42  SER A O   1 
ATOM   190  C  CB  . SER A 1 42  ? 28.884 12.345  -12.768 1.00 19.39 ? 42  SER A CB  1 
ATOM   191  O  OG  . SER A 1 42  ? 29.402 11.106  -13.220 1.00 22.00 ? 42  SER A OG  1 
ATOM   192  N  N   . LEU A 1 43  ? 25.912 11.658  -13.316 1.00 22.73 ? 43  LEU A N   1 
ATOM   193  C  CA  . LEU A 1 43  ? 24.829 10.881  -13.912 1.00 20.27 ? 43  LEU A CA  1 
ATOM   194  C  C   . LEU A 1 43  ? 25.336 9.652   -14.661 1.00 17.95 ? 43  LEU A C   1 
ATOM   195  O  O   . LEU A 1 43  ? 24.673 8.608   -14.678 1.00 18.52 ? 43  LEU A O   1 
ATOM   196  C  CB  . LEU A 1 43  ? 24.016 11.772  -14.847 1.00 24.91 ? 43  LEU A CB  1 
ATOM   197  C  CG  . LEU A 1 43  ? 22.794 11.137  -15.517 1.00 23.65 ? 43  LEU A CG  1 
ATOM   198  C  CD1 . LEU A 1 43  ? 21.819 10.602  -14.481 1.00 24.95 ? 43  LEU A CD1 1 
ATOM   199  C  CD2 . LEU A 1 43  ? 22.112 12.169  -16.398 1.00 25.00 ? 43  LEU A CD2 1 
ATOM   200  N  N   . GLY A 1 44  ? 26.479 9.759   -15.326 1.00 16.62 ? 44  GLY A N   1 
ATOM   201  C  CA  . GLY A 1 44  ? 27.000 8.608   -16.040 1.00 18.17 ? 44  GLY A CA  1 
ATOM   202  C  C   . GLY A 1 44  ? 27.272 7.411   -15.146 1.00 18.52 ? 44  GLY A C   1 
ATOM   203  O  O   . GLY A 1 44  ? 27.200 6.270   -15.600 1.00 18.00 ? 44  GLY A O   1 
ATOM   204  N  N   . ASN A 1 45  ? 27.612 7.650   -13.873 1.00 16.11 ? 45  ASN A N   1 
ATOM   205  C  CA  . ASN A 1 45  ? 27.827 6.548   -12.939 1.00 18.81 ? 45  ASN A CA  1 
ATOM   206  C  C   . ASN A 1 45  ? 26.556 5.746   -12.732 1.00 17.05 ? 45  ASN A C   1 
ATOM   207  O  O   . ASN A 1 45  ? 26.586 4.511   -12.704 1.00 18.23 ? 45  ASN A O   1 
ATOM   208  C  CB  . ASN A 1 45  ? 28.310 7.073   -11.588 1.00 17.09 ? 45  ASN A CB  1 
ATOM   209  C  CG  . ASN A 1 45  ? 29.773 7.437   -11.598 1.00 19.27 ? 45  ASN A CG  1 
ATOM   210  O  OD1 . ASN A 1 45  ? 30.633 6.563   -11.485 1.00 16.88 ? 45  ASN A OD1 1 
ATOM   211  N  ND2 . ASN A 1 45  ? 30.068 8.736   -11.724 1.00 19.57 ? 45  ASN A ND2 1 
ATOM   212  N  N   . TRP A 1 46  ? 25.430 6.439   -12.573 1.00 16.96 ? 46  TRP A N   1 
ATOM   213  C  CA  . TRP A 1 46  ? 24.166 5.767   -12.312 1.00 19.66 ? 46  TRP A CA  1 
ATOM   214  C  C   . TRP A 1 46  ? 23.682 5.011   -13.540 1.00 17.15 ? 46  TRP A C   1 
ATOM   215  O  O   . TRP A 1 46  ? 23.126 3.914   -13.417 1.00 17.12 ? 46  TRP A O   1 
ATOM   216  C  CB  . TRP A 1 46  ? 23.124 6.791   -11.864 1.00 14.25 ? 46  TRP A CB  1 
ATOM   217  C  CG  . TRP A 1 46  ? 23.481 7.451   -10.584 1.00 18.77 ? 46  TRP A CG  1 
ATOM   218  C  CD1 . TRP A 1 46  ? 23.959 8.721   -10.409 1.00 16.73 ? 46  TRP A CD1 1 
ATOM   219  C  CD2 . TRP A 1 46  ? 23.400 6.868   -9.285  1.00 20.40 ? 46  TRP A CD2 1 
ATOM   220  N  NE1 . TRP A 1 46  ? 24.181 8.957   -9.075  1.00 16.45 ? 46  TRP A NE1 1 
ATOM   221  C  CE2 . TRP A 1 46  ? 23.836 7.839   -8.363  1.00 19.28 ? 46  TRP A CE2 1 
ATOM   222  C  CE3 . TRP A 1 46  ? 22.989 5.612   -8.808  1.00 19.95 ? 46  TRP A CE3 1 
ATOM   223  C  CZ2 . TRP A 1 46  ? 23.885 7.593   -6.990  1.00 20.14 ? 46  TRP A CZ2 1 
ATOM   224  C  CZ3 . TRP A 1 46  ? 23.031 5.373   -7.442  1.00 22.01 ? 46  TRP A CZ3 1 
ATOM   225  C  CH2 . TRP A 1 46  ? 23.477 6.355   -6.552  1.00 21.18 ? 46  TRP A CH2 1 
ATOM   226  N  N   . VAL A 1 47  ? 23.854 5.596   -14.727 1.00 16.66 ? 47  VAL A N   1 
ATOM   227  C  CA  . VAL A 1 47  ? 23.477 4.900   -15.958 1.00 18.40 ? 47  VAL A CA  1 
ATOM   228  C  C   . VAL A 1 47  ? 24.341 3.660   -16.151 1.00 15.54 ? 47  VAL A C   1 
ATOM   229  O  O   . VAL A 1 47  ? 23.834 2.562   -16.415 1.00 19.80 ? 47  VAL A O   1 
ATOM   230  C  CB  . VAL A 1 47  ? 23.565 5.844   -17.169 1.00 22.33 ? 47  VAL A CB  1 
ATOM   231  C  CG1 . VAL A 1 47  ? 23.418 5.029   -18.462 1.00 19.07 ? 47  VAL A CG1 1 
ATOM   232  C  CG2 . VAL A 1 47  ? 22.486 6.952   -17.076 1.00 15.88 ? 47  VAL A CG2 1 
ATOM   233  N  N   . CYS A 1 48  ? 25.663 3.815   -16.017 1.00 17.13 ? 48  CYS A N   1 
ATOM   234  C  CA  . CYS A 1 48  ? 26.560 2.661   -16.102 1.00 17.03 ? 48  CYS A CA  1 
ATOM   235  C  C   . CYS A 1 48  ? 26.140 1.561   -15.131 1.00 17.34 ? 48  CYS A C   1 
ATOM   236  O  O   . CYS A 1 48  ? 26.080 0.382   -15.504 1.00 18.48 ? 48  CYS A O   1 
ATOM   237  C  CB  . CYS A 1 48  ? 28.009 3.090   -15.841 1.00 17.76 ? 48  CYS A CB  1 
ATOM   238  S  SG  . CYS A 1 48  ? 29.204 1.758   -16.040 1.00 20.98 ? 48  CYS A SG  1 
ATOM   239  N  N   . ALA A 1 49  ? 25.853 1.927   -13.876 1.00 16.58 ? 49  ALA A N   1 
ATOM   240  C  CA  . ALA A 1 49  ? 25.452 0.930   -12.885 1.00 17.34 ? 49  ALA A CA  1 
ATOM   241  C  C   . ALA A 1 49  ? 24.205 0.190   -13.341 1.00 16.61 ? 49  ALA A C   1 
ATOM   242  O  O   . ALA A 1 49  ? 24.174 -1.044  -13.348 1.00 18.31 ? 49  ALA A O   1 
ATOM   243  C  CB  . ALA A 1 49  ? 25.199 1.589   -11.531 1.00 17.81 ? 49  ALA A CB  1 
ATOM   244  N  N   . ALA A 1 50  ? 23.177 0.941   -13.749 1.00 16.10 ? 50  ALA A N   1 
ATOM   245  C  CA  . ALA A 1 50  ? 21.945 0.339   -14.240 1.00 17.70 ? 50  ALA A CA  1 
ATOM   246  C  C   . ALA A 1 50  ? 22.203 -0.546  -15.449 1.00 18.50 ? 50  ALA A C   1 
ATOM   247  O  O   . ALA A 1 50  ? 21.627 -1.635  -15.564 1.00 16.00 ? 50  ALA A O   1 
ATOM   248  C  CB  . ALA A 1 50  ? 20.932 1.424   -14.582 1.00 18.45 ? 50  ALA A CB  1 
ATOM   249  N  N   . LYS A 1 51  ? 23.061 -0.095  -16.365 1.00 14.56 ? 51  LYS A N   1 
ATOM   250  C  CA  . LYS A 1 51  ? 23.419 -0.928  -17.506 1.00 17.94 ? 51  LYS A CA  1 
ATOM   251  C  C   . LYS A 1 51  ? 23.902 -2.300  -17.062 1.00 18.55 ? 51  LYS A C   1 
ATOM   252  O  O   . LYS A 1 51  ? 23.396 -3.330  -17.517 1.00 17.99 ? 51  LYS A O   1 
ATOM   253  C  CB  . LYS A 1 51  ? 24.494 -0.244  -18.350 1.00 20.49 ? 51  LYS A CB  1 
ATOM   254  C  CG  . LYS A 1 51  ? 25.105 -1.163  -19.387 1.00 22.44 ? 51  LYS A CG  1 
ATOM   255  C  CD  . LYS A 1 51  ? 24.084 -1.587  -20.394 1.00 19.86 ? 51  LYS A CD  1 
ATOM   256  C  CE  . LYS A 1 51  ? 24.734 -2.267  -21.557 1.00 23.71 ? 51  LYS A CE  1 
ATOM   257  N  NZ  . LYS A 1 51  ? 23.699 -2.717  -22.521 1.00 31.24 ? 51  LYS A NZ  1 
ATOM   258  N  N   . PHE A 1 52  ? 24.875 -2.341  -16.163 1.00 20.10 ? 52  PHE A N   1 
ATOM   259  C  CA  . PHE A 1 52  ? 25.467 -3.626  -15.827 1.00 18.56 ? 52  PHE A CA  1 
ATOM   260  C  C   . PHE A 1 52  ? 24.715 -4.369  -14.730 1.00 21.54 ? 52  PHE A C   1 
ATOM   261  O  O   . PHE A 1 52  ? 24.818 -5.594  -14.648 1.00 23.77 ? 52  PHE A O   1 
ATOM   262  C  CB  . PHE A 1 52  ? 26.937 -3.432  -15.460 1.00 19.19 ? 52  PHE A CB  1 
ATOM   263  C  CG  . PHE A 1 52  ? 27.773 -3.010  -16.630 1.00 19.41 ? 52  PHE A CG  1 
ATOM   264  C  CD1 . PHE A 1 52  ? 27.898 -3.837  -17.732 1.00 19.19 ? 52  PHE A CD1 1 
ATOM   265  C  CD2 . PHE A 1 52  ? 28.389 -1.777  -16.656 1.00 21.13 ? 52  PHE A CD2 1 
ATOM   266  C  CE1 . PHE A 1 52  ? 28.656 -3.451  -18.841 1.00 20.15 ? 52  PHE A CE1 1 
ATOM   267  C  CE2 . PHE A 1 52  ? 29.147 -1.382  -17.760 1.00 23.10 ? 52  PHE A CE2 1 
ATOM   268  C  CZ  . PHE A 1 52  ? 29.275 -2.224  -18.853 1.00 24.10 ? 52  PHE A CZ  1 
ATOM   269  N  N   . GLU A 1 53  ? 23.930 -3.683  -13.909 1.00 20.73 ? 53  GLU A N   1 
ATOM   270  C  CA  . GLU A 1 53  ? 23.109 -4.413  -12.949 1.00 17.83 ? 53  GLU A CA  1 
ATOM   271  C  C   . GLU A 1 53  ? 21.937 -5.095  -13.641 1.00 20.39 ? 53  GLU A C   1 
ATOM   272  O  O   . GLU A 1 53  ? 21.727 -6.304  -13.484 1.00 16.78 ? 53  GLU A O   1 
ATOM   273  C  CB  . GLU A 1 53  ? 22.616 -3.474  -11.859 1.00 19.74 ? 53  GLU A CB  1 
ATOM   274  C  CG  . GLU A 1 53  ? 23.709 -3.037  -10.884 1.00 23.23 ? 53  GLU A CG  1 
ATOM   275  C  CD  . GLU A 1 53  ? 24.132 -4.146  -9.936  1.00 22.66 ? 53  GLU A CD  1 
ATOM   276  O  OE1 . GLU A 1 53  ? 23.583 -5.258  -10.028 1.00 24.54 ? 53  GLU A OE1 1 
ATOM   277  O  OE2 . GLU A 1 53  ? 25.008 -3.901  -9.083  1.00 22.31 ? 53  GLU A OE2 1 
ATOM   278  N  N   . SER A 1 54  ? 21.184 -4.348  -14.443 1.00 16.42 ? 54  SER A N   1 
ATOM   279  C  CA  . SER A 1 54  ? 19.910 -4.824  -14.955 1.00 20.91 ? 54  SER A CA  1 
ATOM   280  C  C   . SER A 1 54  ? 19.790 -4.818  -16.463 1.00 19.84 ? 54  SER A C   1 
ATOM   281  O  O   . SER A 1 54  ? 18.764 -5.285  -16.974 1.00 21.40 ? 54  SER A O   1 
ATOM   282  C  CB  . SER A 1 54  ? 18.763 -3.960  -14.420 1.00 21.45 ? 54  SER A CB  1 
ATOM   283  O  OG  . SER A 1 54  ? 18.807 -2.701  -15.071 1.00 17.79 ? 54  SER A OG  1 
ATOM   284  N  N   . ASN A 1 55  ? 20.765 -4.266  -17.185 1.00 18.19 ? 55  ASN A N   1 
ATOM   285  C  CA  . ASN A 1 55  ? 20.654 -4.069  -18.628 1.00 19.36 ? 55  ASN A CA  1 
ATOM   286  C  C   . ASN A 1 55  ? 19.457 -3.178  -18.976 1.00 22.33 ? 55  ASN A C   1 
ATOM   287  O  O   . ASN A 1 55  ? 18.800 -3.371  -20.007 1.00 21.79 ? 55  ASN A O   1 
ATOM   288  C  CB  . ASN A 1 55  ? 20.575 -5.413  -19.369 1.00 25.32 ? 55  ASN A CB  1 
ATOM   289  C  CG  . ASN A 1 55  ? 20.861 -5.274  -20.843 1.00 24.47 ? 55  ASN A CG  1 
ATOM   290  O  OD1 . ASN A 1 55  ? 21.606 -4.389  -21.253 1.00 31.08 ? 55  ASN A OD1 1 
ATOM   291  N  ND2 . ASN A 1 55  ? 20.239 -6.120  -21.654 1.00 28.57 ? 55  ASN A ND2 1 
ATOM   292  N  N   . PHE A 1 56  ? 19.167 -2.205  -18.102 1.00 18.63 ? 56  PHE A N   1 
ATOM   293  C  CA  . PHE A 1 56  ? 18.106 -1.208  -18.273 1.00 19.63 ? 56  PHE A CA  1 
ATOM   294  C  C   . PHE A 1 56  ? 16.695 -1.800  -18.173 1.00 21.00 ? 56  PHE A C   1 
ATOM   295  O  O   . PHE A 1 56  ? 15.708 -1.148  -18.556 1.00 18.00 ? 56  PHE A O   1 
ATOM   296  C  CB  . PHE A 1 56  ? 18.249 -0.453  -19.595 1.00 17.57 ? 56  PHE A CB  1 
ATOM   297  C  CG  . PHE A 1 56  ? 19.556 0.290   -19.749 1.00 16.87 ? 56  PHE A CG  1 
ATOM   298  C  CD1 . PHE A 1 56  ? 20.196 0.845   -18.653 1.00 15.38 ? 56  PHE A CD1 1 
ATOM   299  C  CD2 . PHE A 1 56  ? 20.118 0.451   -20.999 1.00 18.70 ? 56  PHE A CD2 1 
ATOM   300  C  CE1 . PHE A 1 56  ? 21.382 1.550   -18.797 1.00 16.38 ? 56  PHE A CE1 1 
ATOM   301  C  CE2 . PHE A 1 56  ? 21.301 1.146   -21.159 1.00 22.59 ? 56  PHE A CE2 1 
ATOM   302  C  CZ  . PHE A 1 56  ? 21.941 1.693   -20.047 1.00 18.03 ? 56  PHE A CZ  1 
ATOM   303  N  N   . ASN A 1 57  ? 16.564 -3.011  -17.654 1.00 16.16 ? 57  ASN A N   1 
ATOM   304  C  CA  . ASN A 1 57  ? 15.275 -3.683  -17.558 1.00 18.46 ? 57  ASN A CA  1 
ATOM   305  C  C   . ASN A 1 57  ? 14.738 -3.519  -16.140 1.00 18.41 ? 57  ASN A C   1 
ATOM   306  O  O   . ASN A 1 57  ? 15.335 -4.020  -15.182 1.00 17.79 ? 57  ASN A O   1 
ATOM   307  C  CB  . ASN A 1 57  ? 15.443 -5.154  -17.930 1.00 19.39 ? 57  ASN A CB  1 
ATOM   308  C  CG  . ASN A 1 57  ? 14.136 -5.935  -17.936 1.00 16.40 ? 57  ASN A CG  1 
ATOM   309  O  OD1 . ASN A 1 57  ? 13.056 -5.420  -17.660 1.00 15.01 ? 57  ASN A OD1 1 
ATOM   310  N  ND2 . ASN A 1 57  ? 14.246 -7.202  -18.277 1.00 19.58 ? 57  ASN A ND2 1 
ATOM   311  N  N   . THR A 1 58  ? 13.611 -2.828  -16.001 1.00 16.38 ? 58  THR A N   1 
ATOM   312  C  CA  . THR A 1 58  ? 13.069 -2.620  -14.664 1.00 16.18 ? 58  THR A CA  1 
ATOM   313  C  C   . THR A 1 58  ? 12.524 -3.901  -14.044 1.00 17.94 ? 58  THR A C   1 
ATOM   314  O  O   . THR A 1 58  ? 12.321 -3.935  -12.825 1.00 20.12 ? 58  THR A O   1 
ATOM   315  C  CB  . THR A 1 58  ? 11.961 -1.564  -14.672 1.00 20.52 ? 58  THR A CB  1 
ATOM   316  O  OG1 . THR A 1 58  ? 10.846 -2.047  -15.421 1.00 22.29 ? 58  THR A OG1 1 
ATOM   317  C  CG2 . THR A 1 58  ? 12.449 -0.275  -15.280 1.00 20.14 ? 58  THR A CG2 1 
ATOM   318  N  N   . GLN A 1 59  ? 12.282 -4.948  -14.837 1.00 19.37 ? 59  GLN A N   1 
ATOM   319  C  CA  . GLN A 1 59  ? 11.771 -6.220  -14.317 1.00 19.31 ? 59  GLN A CA  1 
ATOM   320  C  C   . GLN A 1 59  ? 12.863 -7.217  -13.966 1.00 15.93 ? 59  GLN A C   1 
ATOM   321  O  O   . GLN A 1 59  ? 12.546 -8.354  -13.625 1.00 21.04 ? 59  GLN A O   1 
ATOM   322  C  CB  . GLN A 1 59  ? 10.795 -6.864  -15.314 1.00 18.64 ? 59  GLN A CB  1 
ATOM   323  C  CG  . GLN A 1 59  ? 9.576  -6.006  -15.567 1.00 17.40 ? 59  GLN A CG  1 
ATOM   324  C  CD  . GLN A 1 59  ? 8.468  -6.716  -16.303 1.00 20.71 ? 59  GLN A CD  1 
ATOM   325  O  OE1 . GLN A 1 59  ? 8.285  -6.517  -17.501 1.00 23.45 ? 59  GLN A OE1 1 
ATOM   326  N  NE2 . GLN A 1 59  ? 7.701  -7.527  -15.588 1.00 20.81 ? 59  GLN A NE2 1 
ATOM   327  N  N   . ALA A 1 60  ? 14.125 -6.820  -14.007 1.00 15.15 ? 60  ALA A N   1 
ATOM   328  C  CA  . ALA A 1 60  ? 15.216 -7.752  -13.738 1.00 20.50 ? 60  ALA A CA  1 
ATOM   329  C  C   . ALA A 1 60  ? 15.196 -8.251  -12.292 1.00 19.65 ? 60  ALA A C   1 
ATOM   330  O  O   . ALA A 1 60  ? 14.949 -7.489  -11.354 1.00 16.05 ? 60  ALA A O   1 
ATOM   331  C  CB  . ALA A 1 60  ? 16.559 -7.086  -14.038 1.00 17.29 ? 60  ALA A CB  1 
ATOM   332  N  N   . THR A 1 61  ? 15.449 -9.549  -12.117 1.00 19.52 ? 61  THR A N   1 
ATOM   333  C  CA  . THR A 1 61  ? 15.605 -10.131 -10.789 1.00 21.11 ? 61  THR A CA  1 
ATOM   334  C  C   . THR A 1 61  ? 16.804 -11.061 -10.803 1.00 24.60 ? 61  THR A C   1 
ATOM   335  O  O   . THR A 1 61  ? 17.084 -11.718 -11.812 1.00 22.93 ? 61  THR A O   1 
ATOM   336  C  CB  . THR A 1 61  ? 14.394 -10.948 -10.326 1.00 17.90 ? 61  THR A CB  1 
ATOM   337  O  OG1 . THR A 1 61  ? 14.145 -11.992 -11.273 1.00 22.42 ? 61  THR A OG1 1 
ATOM   338  C  CG2 . THR A 1 61  ? 13.155 -10.081 -10.177 1.00 19.00 ? 61  THR A CG2 1 
ATOM   339  N  N   . ASN A 1 62  ? 17.483 -11.136 -9.661  1.00 18.42 ? 62  ASN A N   1 
ATOM   340  C  CA  . ASN A 1 62  ? 18.576 -12.072 -9.469  1.00 20.13 ? 62  ASN A CA  1 
ATOM   341  C  C   . ASN A 1 62  ? 18.535 -12.659 -8.072  1.00 17.87 ? 62  ASN A C   1 
ATOM   342  O  O   . ASN A 1 62  ? 18.577 -11.918 -7.088  1.00 17.33 ? 62  ASN A O   1 
ATOM   343  C  CB  . ASN A 1 62  ? 19.930 -11.406 -9.666  1.00 20.16 ? 62  ASN A CB  1 
ATOM   344  C  CG  . ASN A 1 62  ? 21.057 -12.411 -9.561  1.00 25.99 ? 62  ASN A CG  1 
ATOM   345  O  OD1 . ASN A 1 62  ? 21.226 -13.247 -10.445 1.00 28.89 ? 62  ASN A OD1 1 
ATOM   346  N  ND2 . ASN A 1 62  ? 21.815 -12.356 -8.467  1.00 32.44 ? 62  ASN A ND2 1 
ATOM   347  N  N   . ARG A 1 63  ? 18.535 -13.978 -7.984  1.00 18.31 ? 63  ARG A N   1 
ATOM   348  C  CA  . ARG A 1 63  ? 18.530 -14.656 -6.699  1.00 18.36 ? 63  ARG A CA  1 
ATOM   349  C  C   . ARG A 1 63  ? 19.963 -14.918 -6.251  1.00 22.82 ? 63  ARG A C   1 
ATOM   350  O  O   . ARG A 1 63  ? 20.787 -15.403 -7.037  1.00 19.50 ? 63  ARG A O   1 
ATOM   351  C  CB  . ARG A 1 63  ? 17.742 -15.961 -6.812  1.00 21.92 ? 63  ARG A CB  1 
ATOM   352  C  CG  . ARG A 1 63  ? 17.774 -16.875 -5.612  1.00 24.03 ? 63  ARG A CG  1 
ATOM   353  C  CD  . ARG A 1 63  ? 17.080 -16.276 -4.405  1.00 21.00 ? 63  ARG A CD  1 
ATOM   354  N  NE  . ARG A 1 63  ? 15.827 -15.585 -4.701  1.00 26.81 ? 63  ARG A NE  1 
ATOM   355  C  CZ  . ARG A 1 63  ? 14.673 -16.185 -4.972  1.00 29.52 ? 63  ARG A CZ  1 
ATOM   356  N  NH1 . ARG A 1 63  ? 14.601 -17.499 -5.143  1.00 31.54 ? 63  ARG A NH1 1 
ATOM   357  N  NH2 . ARG A 1 63  ? 13.561 -15.450 -5.067  1.00 24.78 ? 63  ARG A NH2 1 
ATOM   358  N  N   . ASN A 1 64  ? 20.256 -14.620 -4.986  1.00 18.88 ? 64  ASN A N   1 
ATOM   359  C  CA  . ASN A 1 64  ? 21.607 -14.805 -4.470  1.00 21.71 ? 64  ASN A CA  1 
ATOM   360  C  C   . ASN A 1 64  ? 21.708 -16.072 -3.624  1.00 25.13 ? 64  ASN A C   1 
ATOM   361  O  O   . ASN A 1 64  ? 20.705 -16.637 -3.170  1.00 23.56 ? 64  ASN A O   1 
ATOM   362  C  CB  . ASN A 1 64  ? 22.043 -13.587 -3.651  1.00 22.54 ? 64  ASN A CB  1 
ATOM   363  C  CG  . ASN A 1 64  ? 21.851 -12.293 -4.406  1.00 24.13 ? 64  ASN A CG  1 
ATOM   364  O  OD1 . ASN A 1 64  ? 21.003 -11.491 -4.053  1.00 29.31 ? 64  ASN A OD1 1 
ATOM   365  N  ND2 . ASN A 1 64  ? 22.621 -12.097 -5.465  1.00 25.71 ? 64  ASN A ND2 1 
ATOM   366  N  N   . THR A 1 65  ? 22.955 -16.502 -3.400  1.00 29.05 ? 65  THR A N   1 
ATOM   367  C  CA  . THR A 1 65  ? 23.207 -17.733 -2.658  1.00 26.67 ? 65  THR A CA  1 
ATOM   368  C  C   . THR A 1 65  ? 22.679 -17.659 -1.230  1.00 28.22 ? 65  THR A C   1 
ATOM   369  O  O   . THR A 1 65  ? 22.319 -18.687 -0.648  1.00 31.01 ? 65  THR A O   1 
ATOM   370  C  CB  . THR A 1 65  ? 24.707 -18.045 -2.642  1.00 30.54 ? 65  THR A CB  1 
ATOM   371  O  OG1 . THR A 1 65  ? 25.411 -16.998 -1.959  1.00 34.07 ? 65  THR A OG1 1 
ATOM   372  C  CG2 . THR A 1 65  ? 25.243 -18.149 -4.056  1.00 31.77 ? 65  THR A CG2 1 
ATOM   373  N  N   . ASP A 1 66  ? 22.627 -16.472 -0.645  1.00 24.13 ? 66  ASP A N   1 
ATOM   374  C  CA  . ASP A 1 66  ? 22.149 -16.351 0.724   1.00 26.24 ? 66  ASP A CA  1 
ATOM   375  C  C   . ASP A 1 66  ? 20.622 -16.342 0.825   1.00 24.42 ? 66  ASP A C   1 
ATOM   376  O  O   . ASP A 1 66  ? 20.091 -16.071 1.907   1.00 30.00 ? 66  ASP A O   1 
ATOM   377  C  CB  . ASP A 1 66  ? 22.731 -15.089 1.372   1.00 28.17 ? 66  ASP A CB  1 
ATOM   378  C  CG  . ASP A 1 66  ? 22.044 -13.806 0.896   1.00 27.96 ? 66  ASP A CG  1 
ATOM   379  O  OD1 . ASP A 1 66  ? 21.495 -13.787 -0.220  1.00 27.14 ? 66  ASP A OD1 1 
ATOM   380  O  OD2 . ASP A 1 66  ? 22.040 -12.812 1.644   1.00 33.25 ? 66  ASP A OD2 1 
ATOM   381  N  N   . GLY A 1 67  ? 19.904 -16.616 -0.260  1.00 21.45 ? 67  GLY A N   1 
ATOM   382  C  CA  . GLY A 1 67  ? 18.455 -16.587 -0.245  1.00 25.61 ? 67  GLY A CA  1 
ATOM   383  C  C   . GLY A 1 67  ? 17.819 -15.242 -0.554  1.00 24.56 ? 67  GLY A C   1 
ATOM   384  O  O   . GLY A 1 67  ? 16.610 -15.195 -0.826  1.00 23.19 ? 67  GLY A O   1 
ATOM   385  N  N   . SER A 1 68  ? 18.584 -14.149 -0.512  1.00 21.35 ? 68  SER A N   1 
ATOM   386  C  CA  . SER A 1 68  ? 18.039 -12.844 -0.855  1.00 18.02 ? 68  SER A CA  1 
ATOM   387  C  C   . SER A 1 68  ? 17.913 -12.703 -2.376  1.00 19.06 ? 68  SER A C   1 
ATOM   388  O  O   . SER A 1 68  ? 18.377 -13.542 -3.152  1.00 18.23 ? 68  SER A O   1 
ATOM   389  C  CB  . SER A 1 68  ? 18.911 -11.725 -0.285  1.00 18.70 ? 68  SER A CB  1 
ATOM   390  O  OG  . SER A 1 68  ? 20.187 -11.727 -0.911  1.00 24.13 ? 68  SER A OG  1 
ATOM   391  N  N   . THR A 1 69  ? 17.265 -11.620 -2.802  1.00 17.86 ? 69  THR A N   1 
ATOM   392  C  CA  . THR A 1 69  ? 16.998 -11.387 -4.214  1.00 19.13 ? 69  THR A CA  1 
ATOM   393  C  C   . THR A 1 69  ? 17.211 -9.913  -4.517  1.00 18.69 ? 69  THR A C   1 
ATOM   394  O  O   . THR A 1 69  ? 16.800 -9.057  -3.728  1.00 17.83 ? 69  THR A O   1 
ATOM   395  C  CB  . THR A 1 69  ? 15.561 -11.808 -4.589  1.00 18.17 ? 69  THR A CB  1 
ATOM   396  O  OG1 . THR A 1 69  ? 15.359 -13.195 -4.272  1.00 21.91 ? 69  THR A OG1 1 
ATOM   397  C  CG2 . THR A 1 69  ? 15.301 -11.609 -6.071  1.00 20.40 ? 69  THR A CG2 1 
ATOM   398  N  N   . ASP A 1 70  ? 17.877 -9.632  -5.645  1.00 15.55 ? 70  ASP A N   1 
ATOM   399  C  CA  . ASP A 1 70  ? 18.067 -8.276  -6.162  1.00 18.93 ? 70  ASP A CA  1 
ATOM   400  C  C   . ASP A 1 70  ? 16.952 -7.928  -7.145  1.00 17.10 ? 70  ASP A C   1 
ATOM   401  O  O   . ASP A 1 70  ? 16.597 -8.736  -8.003  1.00 14.99 ? 70  ASP A O   1 
ATOM   402  C  CB  . ASP A 1 70  ? 19.416 -8.148  -6.880  1.00 20.14 ? 70  ASP A CB  1 
ATOM   403  C  CG  . ASP A 1 70  ? 20.580 -8.694  -6.064  1.00 22.73 ? 70  ASP A CG  1 
ATOM   404  O  OD1 . ASP A 1 70  ? 20.704 -8.348  -4.868  1.00 24.70 ? 70  ASP A OD1 1 
ATOM   405  O  OD2 . ASP A 1 70  ? 21.377 -9.477  -6.624  1.00 28.57 ? 70  ASP A OD2 1 
ATOM   406  N  N   . TYR A 1 71  ? 16.419 -6.715  -7.036  1.00 17.08 ? 71  TYR A N   1 
ATOM   407  C  CA  . TYR A 1 71  ? 15.225 -6.333  -7.779  1.00 14.61 ? 71  TYR A CA  1 
ATOM   408  C  C   . TYR A 1 71  ? 15.442 -5.023  -8.525  1.00 18.59 ? 71  TYR A C   1 
ATOM   409  O  O   . TYR A 1 71  ? 15.902 -4.042  -7.936  1.00 18.80 ? 71  TYR A O   1 
ATOM   410  C  CB  . TYR A 1 71  ? 14.029 -6.157  -6.850  1.00 13.89 ? 71  TYR A CB  1 
ATOM   411  C  CG  . TYR A 1 71  ? 13.528 -7.386  -6.147  1.00 19.03 ? 71  TYR A CG  1 
ATOM   412  C  CD1 . TYR A 1 71  ? 14.050 -7.755  -4.917  1.00 19.43 ? 71  TYR A CD1 1 
ATOM   413  C  CD2 . TYR A 1 71  ? 12.494 -8.150  -6.684  1.00 19.25 ? 71  TYR A CD2 1 
ATOM   414  C  CE1 . TYR A 1 71  ? 13.592 -8.865  -4.256  1.00 18.93 ? 71  TYR A CE1 1 
ATOM   415  C  CE2 . TYR A 1 71  ? 12.028 -9.277  -6.032  1.00 20.43 ? 71  TYR A CE2 1 
ATOM   416  C  CZ  . TYR A 1 71  ? 12.587 -9.624  -4.814  1.00 19.47 ? 71  TYR A CZ  1 
ATOM   417  O  OH  . TYR A 1 71  ? 12.143 -10.720 -4.136  1.00 17.48 ? 71  TYR A OH  1 
ATOM   418  N  N   . GLY A 1 72  ? 15.066 -4.994  -9.802  1.00 16.81 ? 72  GLY A N   1 
ATOM   419  C  CA  . GLY A 1 72  ? 14.868 -3.737  -10.497 1.00 17.05 ? 72  GLY A CA  1 
ATOM   420  C  C   . GLY A 1 72  ? 16.080 -3.222  -11.251 1.00 18.29 ? 72  GLY A C   1 
ATOM   421  O  O   . GLY A 1 72  ? 17.161 -3.822  -11.298 1.00 15.76 ? 72  GLY A O   1 
ATOM   422  N  N   . ILE A 1 73  ? 15.870 -2.051  -11.854 1.00 18.80 ? 73  ILE A N   1 
ATOM   423  C  CA  . ILE A 1 73  ? 16.866 -1.458  -12.726 1.00 18.57 ? 73  ILE A CA  1 
ATOM   424  C  C   . ILE A 1 73  ? 18.189 -1.240  -12.007 1.00 17.26 ? 73  ILE A C   1 
ATOM   425  O  O   . ILE A 1 73  ? 19.236 -1.185  -12.655 1.00 20.31 ? 73  ILE A O   1 
ATOM   426  C  CB  . ILE A 1 73  ? 16.310 -0.142  -13.311 1.00 21.19 ? 73  ILE A CB  1 
ATOM   427  C  CG1 . ILE A 1 73  ? 16.906 0.112   -14.692 1.00 22.55 ? 73  ILE A CG1 1 
ATOM   428  C  CG2 . ILE A 1 73  ? 16.559 1.032   -12.347 1.00 18.28 ? 73  ILE A CG2 1 
ATOM   429  C  CD1 . ILE A 1 73  ? 16.014 0.934   -15.596 1.00 25.38 ? 73  ILE A CD1 1 
ATOM   430  N  N   . LEU A 1 74  ? 18.178 -1.133  -10.676 1.00 18.23 ? 74  LEU A N   1 
ATOM   431  C  CA  . LEU A 1 74  ? 19.411 -0.995  -9.911  1.00 18.43 ? 74  LEU A CA  1 
ATOM   432  C  C   . LEU A 1 74  ? 19.631 -2.161  -8.950  1.00 19.04 ? 74  LEU A C   1 
ATOM   433  O  O   . LEU A 1 74  ? 20.532 -2.095  -8.097  1.00 20.08 ? 74  LEU A O   1 
ATOM   434  C  CB  . LEU A 1 74  ? 19.430 0.357   -9.175  1.00 21.16 ? 74  LEU A CB  1 
ATOM   435  C  CG  . LEU A 1 74  ? 19.726 1.586   -10.059 1.00 18.29 ? 74  LEU A CG  1 
ATOM   436  C  CD1 . LEU A 1 74  ? 19.606 2.894   -9.264  1.00 17.91 ? 74  LEU A CD1 1 
ATOM   437  C  CD2 . LEU A 1 74  ? 21.119 1.487   -10.690 1.00 18.04 ? 74  LEU A CD2 1 
ATOM   438  N  N   . GLN A 1 75  ? 18.865 -3.243  -9.094  1.00 16.51 ? 75  GLN A N   1 
ATOM   439  C  CA  . GLN A 1 75  ? 19.161 -4.519  -8.445  1.00 17.70 ? 75  GLN A CA  1 
ATOM   440  C  C   . GLN A 1 75  ? 19.309 -4.346  -6.936  1.00 20.78 ? 75  GLN A C   1 
ATOM   441  O  O   . GLN A 1 75  ? 20.332 -4.690  -6.334  1.00 17.35 ? 75  GLN A O   1 
ATOM   442  C  CB  . GLN A 1 75  ? 20.411 -5.162  -9.054  1.00 17.88 ? 75  GLN A CB  1 
ATOM   443  C  CG  . GLN A 1 75  ? 20.189 -5.758  -10.425 1.00 19.66 ? 75  GLN A CG  1 
ATOM   444  C  CD  . GLN A 1 75  ? 19.174 -6.875  -10.404 1.00 18.60 ? 75  GLN A CD  1 
ATOM   445  O  OE1 . GLN A 1 75  ? 19.532 -8.046  -10.279 1.00 18.90 ? 75  GLN A OE1 1 
ATOM   446  N  NE2 . GLN A 1 75  ? 17.896 -6.523  -10.526 1.00 16.20 ? 75  GLN A NE2 1 
ATOM   447  N  N   . ILE A 1 76  ? 18.285 -3.771  -6.335  1.00 17.92 ? 76  ILE A N   1 
ATOM   448  C  CA  . ILE A 1 76  ? 18.304 -3.486  -4.911  1.00 19.39 ? 76  ILE A CA  1 
ATOM   449  C  C   . ILE A 1 76  ? 17.922 -4.754  -4.158  1.00 21.39 ? 76  ILE A C   1 
ATOM   450  O  O   . ILE A 1 76  ? 17.001 -5.482  -4.556  1.00 17.46 ? 76  ILE A O   1 
ATOM   451  C  CB  . ILE A 1 76  ? 17.378 -2.290  -4.614  1.00 20.06 ? 76  ILE A CB  1 
ATOM   452  C  CG1 . ILE A 1 76  ? 18.050 -0.999  -5.126  1.00 19.98 ? 76  ILE A CG1 1 
ATOM   453  C  CG2 . ILE A 1 76  ? 17.032 -2.204  -3.146  1.00 17.32 ? 76  ILE A CG2 1 
ATOM   454  C  CD1 . ILE A 1 76  ? 17.152 0.225   -5.144  1.00 21.62 ? 76  ILE A CD1 1 
ATOM   455  N  N   . ASN A 1 77  ? 18.657 -5.032  -3.081  1.00 18.15 ? 77  ASN A N   1 
ATOM   456  C  CA  . ASN A 1 77  ? 18.696 -6.333  -2.431  1.00 16.02 ? 77  ASN A CA  1 
ATOM   457  C  C   . ASN A 1 77  ? 17.735 -6.405  -1.249  1.00 22.55 ? 77  ASN A C   1 
ATOM   458  O  O   . ASN A 1 77  ? 17.663 -5.480  -0.431  1.00 20.28 ? 77  ASN A O   1 
ATOM   459  C  CB  . ASN A 1 77  ? 20.119 -6.644  -1.963  1.00 21.19 ? 77  ASN A CB  1 
ATOM   460  C  CG  . ASN A 1 77  ? 20.292 -8.078  -1.553  1.00 21.24 ? 77  ASN A CG  1 
ATOM   461  O  OD1 . ASN A 1 77  ? 20.008 -8.443  -0.419  1.00 27.26 ? 77  ASN A OD1 1 
ATOM   462  N  ND2 . ASN A 1 77  ? 20.743 -8.906  -2.475  1.00 24.86 ? 77  ASN A ND2 1 
ATOM   463  N  N   . SER A 1 78  ? 17.017 -7.536  -1.156  1.00 17.71 ? 78  SER A N   1 
ATOM   464  C  CA  . SER A 1 78  ? 16.003 -7.773  -0.136  1.00 19.02 ? 78  SER A CA  1 
ATOM   465  C  C   . SER A 1 78  ? 16.586 -8.039  1.242   1.00 22.35 ? 78  SER A C   1 
ATOM   466  O  O   . SER A 1 78  ? 15.830 -8.044  2.219   1.00 23.43 ? 78  SER A O   1 
ATOM   467  C  CB  . SER A 1 78  ? 15.119 -8.961  -0.531  1.00 19.32 ? 78  SER A CB  1 
ATOM   468  O  OG  . SER A 1 78  ? 15.887 -10.154 -0.655  1.00 19.06 ? 78  SER A OG  1 
ATOM   469  N  N   . ARG A 1 79  ? 17.894 -8.266  1.352   1.00 21.08 ? 79  ARG A N   1 
ATOM   470  C  CA  . ARG A 1 79  ? 18.476 -8.510  2.669   1.00 24.58 ? 79  ARG A CA  1 
ATOM   471  C  C   . ARG A 1 79  ? 18.360 -7.279  3.568   1.00 25.22 ? 79  ARG A C   1 
ATOM   472  O  O   . ARG A 1 79  ? 18.266 -7.422  4.793   1.00 23.92 ? 79  ARG A O   1 
ATOM   473  C  CB  . ARG A 1 79  ? 19.934 -8.958  2.511   1.00 22.23 ? 79  ARG A CB  1 
ATOM   474  C  CG  . ARG A 1 79  ? 20.763 -8.989  3.784   1.00 31.10 ? 79  ARG A CG  1 
ATOM   475  C  CD  . ARG A 1 79  ? 20.314 -10.062 4.751   1.00 38.47 ? 79  ARG A CD  1 
ATOM   476  N  NE  . ARG A 1 79  ? 20.431 -11.395 4.171   1.00 44.11 ? 79  ARG A NE  1 
ATOM   477  C  CZ  . ARG A 1 79  ? 19.981 -12.506 4.743   1.00 45.70 ? 79  ARG A CZ  1 
ATOM   478  N  NH1 . ARG A 1 79  ? 19.418 -12.488 5.942   1.00 43.79 ? 79  ARG A NH1 1 
ATOM   479  N  NH2 . ARG A 1 79  ? 20.087 -13.661 4.089   1.00 38.90 ? 79  ARG A NH2 1 
ATOM   480  N  N   . TRP A 1 80  ? 18.317 -6.073  2.987   1.00 22.24 ? 80  TRP A N   1 
ATOM   481  C  CA  . TRP A 1 80  ? 18.355 -4.845  3.783   1.00 20.95 ? 80  TRP A CA  1 
ATOM   482  C  C   . TRP A 1 80  ? 17.281 -3.826  3.414   1.00 22.00 ? 80  TRP A C   1 
ATOM   483  O  O   . TRP A 1 80  ? 16.784 -3.090  4.275   1.00 25.87 ? 80  TRP A O   1 
ATOM   484  C  CB  . TRP A 1 80  ? 19.722 -4.170  3.633   1.00 22.31 ? 80  TRP A CB  1 
ATOM   485  C  CG  . TRP A 1 80  ? 20.875 -5.044  3.996   1.00 27.64 ? 80  TRP A CG  1 
ATOM   486  C  CD1 . TRP A 1 80  ? 21.761 -5.630  3.143   1.00 27.19 ? 80  TRP A CD1 1 
ATOM   487  C  CD2 . TRP A 1 80  ? 21.268 -5.434  5.315   1.00 28.60 ? 80  TRP A CD2 1 
ATOM   488  N  NE1 . TRP A 1 80  ? 22.678 -6.365  3.848   1.00 33.31 ? 80  TRP A NE1 1 
ATOM   489  C  CE2 . TRP A 1 80  ? 22.399 -6.257  5.185   1.00 32.09 ? 80  TRP A CE2 1 
ATOM   490  C  CE3 . TRP A 1 80  ? 20.771 -5.167  6.594   1.00 28.82 ? 80  TRP A CE3 1 
ATOM   491  C  CZ2 . TRP A 1 80  ? 23.044 -6.812  6.280   1.00 38.94 ? 80  TRP A CZ2 1 
ATOM   492  C  CZ3 . TRP A 1 80  ? 21.413 -5.717  7.681   1.00 31.47 ? 80  TRP A CZ3 1 
ATOM   493  C  CH2 . TRP A 1 80  ? 22.535 -6.530  7.520   1.00 40.83 ? 80  TRP A CH2 1 
ATOM   494  N  N   . TRP A 1 81  ? 16.940 -3.747  2.133   1.00 21.01 ? 81  TRP A N   1 
ATOM   495  C  CA  . TRP A 1 81  ? 16.315 -2.549  1.593   1.00 20.01 ? 81  TRP A CA  1 
ATOM   496  C  C   . TRP A 1 81  ? 14.834 -2.692  1.289   1.00 20.75 ? 81  TRP A C   1 
ATOM   497  O  O   . TRP A 1 81  ? 14.127 -1.685  1.292   1.00 22.24 ? 81  TRP A O   1 
ATOM   498  C  CB  . TRP A 1 81  ? 17.052 -2.111  0.322   1.00 20.15 ? 81  TRP A CB  1 
ATOM   499  C  CG  . TRP A 1 81  ? 18.536 -1.975  0.557   1.00 20.28 ? 81  TRP A CG  1 
ATOM   500  C  CD1 . TRP A 1 81  ? 19.526 -2.781  0.077   1.00 22.13 ? 81  TRP A CD1 1 
ATOM   501  C  CD2 . TRP A 1 81  ? 19.179 -0.991  1.369   1.00 21.26 ? 81  TRP A CD2 1 
ATOM   502  N  NE1 . TRP A 1 81  ? 20.751 -2.354  0.535   1.00 24.39 ? 81  TRP A NE1 1 
ATOM   503  C  CE2 . TRP A 1 81  ? 20.565 -1.254  1.329   1.00 22.88 ? 81  TRP A CE2 1 
ATOM   504  C  CE3 . TRP A 1 81  ? 18.719 0.099   2.112   1.00 24.06 ? 81  TRP A CE3 1 
ATOM   505  C  CZ2 . TRP A 1 81  ? 21.499 -0.466  2.003   1.00 24.97 ? 81  TRP A CZ2 1 
ATOM   506  C  CZ3 . TRP A 1 81  ? 19.648 0.875   2.793   1.00 26.27 ? 81  TRP A CZ3 1 
ATOM   507  C  CH2 . TRP A 1 81  ? 21.023 0.584   2.734   1.00 24.22 ? 81  TRP A CH2 1 
ATOM   508  N  N   . CYS A 1 82  ? 14.340 -3.896  1.033   1.00 19.09 ? 82  CYS A N   1 
ATOM   509  C  CA  . CYS A 1 82  ? 12.936 -4.027  0.672   1.00 18.75 ? 82  CYS A CA  1 
ATOM   510  C  C   . CYS A 1 82  ? 12.403 -5.327  1.245   1.00 20.59 ? 82  CYS A C   1 
ATOM   511  O  O   . CYS A 1 82  ? 13.167 -6.226  1.605   1.00 23.34 ? 82  CYS A O   1 
ATOM   512  C  CB  . CYS A 1 82  ? 12.751 -3.968  -0.846  1.00 17.05 ? 82  CYS A CB  1 
ATOM   513  S  SG  . CYS A 1 82  ? 13.604 -5.289  -1.758  1.00 22.16 ? 82  CYS A SG  1 
ATOM   514  N  N   . ASN A 1 83  ? 11.079 -5.430  1.337   1.00 19.77 ? 83  ASN A N   1 
ATOM   515  C  CA  . ASN A 1 83  ? 10.469 -6.654  1.829   1.00 18.08 ? 83  ASN A CA  1 
ATOM   516  C  C   . ASN A 1 83  ? 9.888  -7.484  0.691   1.00 17.99 ? 83  ASN A C   1 
ATOM   517  O  O   . ASN A 1 83  ? 9.074  -6.990  -0.100  1.00 20.94 ? 83  ASN A O   1 
ATOM   518  C  CB  . ASN A 1 83  ? 9.371  -6.363  2.846   1.00 21.27 ? 83  ASN A CB  1 
ATOM   519  C  CG  . ASN A 1 83  ? 8.679  -7.626  3.285   1.00 24.14 ? 83  ASN A CG  1 
ATOM   520  O  OD1 . ASN A 1 83  ? 9.287  -8.488  3.915   1.00 22.34 ? 83  ASN A OD1 1 
ATOM   521  N  ND2 . ASN A 1 83  ? 7.413  -7.763  2.919   1.00 28.68 ? 83  ASN A ND2 1 
ATOM   522  N  N   . ASP A 1 84  ? 10.282 -8.752  0.633   1.00 16.84 ? 84  ASP A N   1 
ATOM   523  C  CA  . ASP A 1 84  ? 9.659  -9.691  -0.287  1.00 22.24 ? 84  ASP A CA  1 
ATOM   524  C  C   . ASP A 1 84  ? 9.114  -10.916 0.441   1.00 19.68 ? 84  ASP A C   1 
ATOM   525  O  O   . ASP A 1 84  ? 8.652  -11.860 -0.207  1.00 21.42 ? 84  ASP A O   1 
ATOM   526  C  CB  . ASP A 1 84  ? 10.631 -10.087 -1.412  1.00 17.41 ? 84  ASP A CB  1 
ATOM   527  C  CG  . ASP A 1 84  ? 11.829 -10.898 -0.927  1.00 23.09 ? 84  ASP A CG  1 
ATOM   528  O  OD1 . ASP A 1 84  ? 11.911 -11.250 0.268   1.00 22.20 ? 84  ASP A OD1 1 
ATOM   529  O  OD2 . ASP A 1 84  ? 12.709 -11.186 -1.767  1.00 20.44 ? 84  ASP A OD2 1 
ATOM   530  N  N   . GLY A 1 85  ? 9.129  -10.914 1.767   1.00 21.83 ? 85  GLY A N   1 
ATOM   531  C  CA  . GLY A 1 85  ? 8.523  -11.990 2.520   1.00 22.61 ? 85  GLY A CA  1 
ATOM   532  C  C   . GLY A 1 85  ? 9.214  -13.326 2.429   1.00 28.53 ? 85  GLY A C   1 
ATOM   533  O  O   . GLY A 1 85  ? 8.697  -14.305 2.975   1.00 30.68 ? 85  GLY A O   1 
ATOM   534  N  N   . ARG A 1 86  ? 10.375 -13.411 1.768   1.00 25.14 ? 86  ARG A N   1 
ATOM   535  C  CA  . ARG A 1 86  ? 11.083 -14.681 1.681   1.00 24.86 ? 86  ARG A CA  1 
ATOM   536  C  C   . ARG A 1 86  ? 12.579 -14.525 1.942   1.00 25.78 ? 86  ARG A C   1 
ATOM   537  O  O   . ARG A 1 86  ? 13.376 -15.330 1.452   1.00 29.44 ? 86  ARG A O   1 
ATOM   538  C  CB  . ARG A 1 86  ? 10.870 -15.345 0.312   1.00 26.40 ? 86  ARG A CB  1 
ATOM   539  C  CG  . ARG A 1 86  ? 11.213 -14.457 -0.885  1.00 22.61 ? 86  ARG A CG  1 
ATOM   540  C  CD  . ARG A 1 86  ? 11.606 -15.246 -2.131  1.00 26.33 ? 86  ARG A CD  1 
ATOM   541  N  NE  . ARG A 1 86  ? 12.982 -15.734 -2.062  1.00 32.68 ? 86  ARG A NE  1 
ATOM   542  C  CZ  . ARG A 1 86  ? 13.337 -17.013 -2.116  1.00 34.92 ? 86  ARG A CZ  1 
ATOM   543  N  NH1 . ARG A 1 86  ? 12.439 -17.973 -2.293  1.00 35.14 ? 86  ARG A NH1 1 
ATOM   544  N  NH2 . ARG A 1 86  ? 14.628 -17.338 -2.001  1.00 32.48 ? 86  ARG A NH2 1 
ATOM   545  N  N   . THR A 1 87  ? 12.988 -13.506 2.700   1.00 27.28 ? 87  THR A N   1 
ATOM   546  C  CA  . THR A 1 87  ? 14.392 -13.317 3.081   1.00 28.12 ? 87  THR A CA  1 
ATOM   547  C  C   . THR A 1 87  ? 14.480 -13.277 4.602   1.00 28.94 ? 87  THR A C   1 
ATOM   548  O  O   . THR A 1 87  ? 14.461 -12.197 5.214   1.00 26.05 ? 87  THR A O   1 
ATOM   549  C  CB  . THR A 1 87  ? 14.979 -12.057 2.446   1.00 29.60 ? 87  THR A CB  1 
ATOM   550  O  OG1 . THR A 1 87  ? 14.642 -12.038 1.050   1.00 20.30 ? 87  THR A OG1 1 
ATOM   551  C  CG2 . THR A 1 87  ? 16.506 -12.049 2.591   1.00 23.62 ? 87  THR A CG2 1 
ATOM   552  N  N   . PRO A 1 88  ? 14.588 -14.435 5.251   1.00 30.64 ? 88  PRO A N   1 
ATOM   553  C  CA  . PRO A 1 88  ? 14.495 -14.477 6.715   1.00 30.65 ? 88  PRO A CA  1 
ATOM   554  C  C   . PRO A 1 88  ? 15.594 -13.666 7.383   1.00 31.64 ? 88  PRO A C   1 
ATOM   555  O  O   . PRO A 1 88  ? 16.750 -13.675 6.953   1.00 33.83 ? 88  PRO A O   1 
ATOM   556  C  CB  . PRO A 1 88  ? 14.625 -15.972 7.032   1.00 30.88 ? 88  PRO A CB  1 
ATOM   557  C  CG  . PRO A 1 88  ? 14.229 -16.663 5.752   1.00 33.81 ? 88  PRO A CG  1 
ATOM   558  C  CD  . PRO A 1 88  ? 14.762 -15.776 4.674   1.00 27.43 ? 88  PRO A CD  1 
ATOM   559  N  N   . GLY A 1 89  ? 15.216 -12.960 8.446   1.00 30.48 ? 89  GLY A N   1 
ATOM   560  C  CA  . GLY A 1 89  ? 16.162 -12.150 9.186   1.00 32.19 ? 89  GLY A CA  1 
ATOM   561  C  C   . GLY A 1 89  ? 16.654 -10.940 8.429   1.00 34.95 ? 89  GLY A C   1 
ATOM   562  O  O   . GLY A 1 89  ? 17.762 -10.454 8.697   1.00 32.97 ? 89  GLY A O   1 
ATOM   563  N  N   . SER A 1 90  ? 15.869 -10.457 7.468   1.00 31.82 ? 90  SER A N   1 
ATOM   564  C  CA  . SER A 1 90  ? 16.232 -9.310  6.652   1.00 29.09 ? 90  SER A CA  1 
ATOM   565  C  C   . SER A 1 90  ? 15.547 -8.062  7.170   1.00 28.16 ? 90  SER A C   1 
ATOM   566  O  O   . SER A 1 90  ? 14.643 -8.115  8.004   1.00 27.69 ? 90  SER A O   1 
ATOM   567  C  CB  . SER A 1 90  ? 15.848 -9.523  5.187   1.00 29.93 ? 90  SER A CB  1 
ATOM   568  O  OG  . SER A 1 90  ? 14.441 -9.567  5.046   1.00 26.68 ? 90  SER A OG  1 
ATOM   569  N  N   . ARG A 1 91  ? 15.983 -6.930  6.637   1.00 24.42 ? 91  ARG A N   1 
ATOM   570  C  CA  . ARG A 1 91  ? 15.432 -5.627  6.950   1.00 31.04 ? 91  ARG A CA  1 
ATOM   571  C  C   . ARG A 1 91  ? 14.672 -5.095  5.741   1.00 28.43 ? 91  ARG A C   1 
ATOM   572  O  O   . ARG A 1 91  ? 14.714 -5.669  4.651   1.00 23.57 ? 91  ARG A O   1 
ATOM   573  C  CB  . ARG A 1 91  ? 16.552 -4.660  7.367   1.00 30.56 ? 91  ARG A CB  1 
ATOM   574  C  CG  . ARG A 1 91  ? 17.004 -4.797  8.827   1.00 32.34 ? 91  ARG A CG  1 
ATOM   575  C  CD  . ARG A 1 91  ? 15.914 -4.296  9.784   1.00 37.88 ? 91  ARG A CD  1 
ATOM   576  N  NE  . ARG A 1 91  ? 15.354 -3.009  9.356   1.00 45.32 ? 91  ARG A NE  1 
ATOM   577  C  CZ  . ARG A 1 91  ? 14.105 -2.810  8.940   1.00 36.09 ? 91  ARG A CZ  1 
ATOM   578  N  NH1 . ARG A 1 91  ? 13.214 -3.792  8.910   1.00 37.44 ? 91  ARG A NH1 1 
ATOM   579  N  NH2 . ARG A 1 91  ? 13.735 -1.593  8.552   1.00 34.97 ? 91  ARG A NH2 1 
ATOM   580  N  N   . ASN A 1 92  ? 13.972 -3.980  5.949   1.00 25.27 ? 92  ASN A N   1 
ATOM   581  C  CA  . ASN A 1 92  ? 13.253 -3.282  4.896   1.00 22.94 ? 92  ASN A CA  1 
ATOM   582  C  C   . ASN A 1 92  ? 13.531 -1.781  5.035   1.00 24.00 ? 92  ASN A C   1 
ATOM   583  O  O   . ASN A 1 92  ? 12.639 -0.963  5.234   1.00 26.12 ? 92  ASN A O   1 
ATOM   584  C  CB  . ASN A 1 92  ? 11.760 -3.607  4.979   1.00 23.25 ? 92  ASN A CB  1 
ATOM   585  C  CG  . ASN A 1 92  ? 10.941 -2.933  3.896   1.00 22.93 ? 92  ASN A CG  1 
ATOM   586  O  OD1 . ASN A 1 92  ? 11.482 -2.360  2.958   1.00 21.15 ? 92  ASN A OD1 1 
ATOM   587  N  ND2 . ASN A 1 92  ? 9.606  -3.007  4.023   1.00 21.93 ? 92  ASN A ND2 1 
ATOM   588  N  N   . LEU A 1 93  ? 14.803 -1.393  4.896   1.00 28.82 ? 93  LEU A N   1 
ATOM   589  C  CA  . LEU A 1 93  ? 15.183 -0.020  5.238   1.00 24.49 ? 93  LEU A CA  1 
ATOM   590  C  C   . LEU A 1 93  ? 14.532 1.013   4.324   1.00 24.26 ? 93  LEU A C   1 
ATOM   591  O  O   . LEU A 1 93  ? 14.270 2.136   4.761   1.00 26.92 ? 93  LEU A O   1 
ATOM   592  C  CB  . LEU A 1 93  ? 16.709 0.125   5.230   1.00 22.93 ? 93  LEU A CB  1 
ATOM   593  C  CG  . LEU A 1 93  ? 17.387 -0.574  6.409   1.00 25.11 ? 93  LEU A CG  1 
ATOM   594  C  CD1 . LEU A 1 93  ? 18.899 -0.506  6.303   1.00 26.88 ? 93  LEU A CD1 1 
ATOM   595  C  CD2 . LEU A 1 93  ? 16.901 0.012   7.739   1.00 29.26 ? 93  LEU A CD2 1 
ATOM   596  N  N   . CYS A 1 94  ? 14.238 0.666   3.072   1.00 23.77 ? 94  CYS A N   1 
ATOM   597  C  CA  . CYS A 1 94  ? 13.543 1.611   2.208   1.00 24.82 ? 94  CYS A CA  1 
ATOM   598  C  C   . CYS A 1 94  ? 12.033 1.581   2.419   1.00 29.43 ? 94  CYS A C   1 
ATOM   599  O  O   . CYS A 1 94  ? 11.320 2.393   1.815   1.00 23.08 ? 94  CYS A O   1 
ATOM   600  C  CB  . CYS A 1 94  ? 13.891 1.349   0.736   1.00 23.82 ? 94  CYS A CB  1 
ATOM   601  S  SG  . CYS A 1 94  ? 15.628 1.747   0.316   1.00 27.01 ? 94  CYS A SG  1 
ATOM   602  N  N   . ASN A 1 95  ? 11.543 0.670   3.269   1.00 26.34 ? 95  ASN A N   1 
ATOM   603  C  CA  . ASN A 1 95  ? 10.129 0.585   3.649   1.00 25.51 ? 95  ASN A CA  1 
ATOM   604  C  C   . ASN A 1 95  ? 9.217  0.401   2.435   1.00 28.62 ? 95  ASN A C   1 
ATOM   605  O  O   . ASN A 1 95  ? 8.216  1.104   2.280   1.00 27.41 ? 95  ASN A O   1 
ATOM   606  C  CB  . ASN A 1 95  ? 9.698  1.814   4.462   1.00 32.10 ? 95  ASN A CB  1 
ATOM   607  C  CG  . ASN A 1 95  ? 10.572 2.050   5.679   1.00 33.19 ? 95  ASN A CG  1 
ATOM   608  O  OD1 . ASN A 1 95  ? 10.542 1.284   6.639   1.00 38.14 ? 95  ASN A OD1 1 
ATOM   609  N  ND2 . ASN A 1 95  ? 11.349 3.125   5.648   1.00 39.36 ? 95  ASN A ND2 1 
ATOM   610  N  N   . ILE A 1 96  ? 9.552  -0.566  1.585   1.00 23.70 ? 96  ILE A N   1 
ATOM   611  C  CA  . ILE A 1 96  ? 8.769  -0.830  0.374   1.00 23.31 ? 96  ILE A CA  1 
ATOM   612  C  C   . ILE A 1 96  ? 8.659  -2.326  0.167   1.00 23.30 ? 96  ILE A C   1 
ATOM   613  O  O   . ILE A 1 96  ? 9.506  -3.102  0.629   1.00 23.79 ? 96  ILE A O   1 
ATOM   614  C  CB  . ILE A 1 96  ? 9.398  -0.197  -0.881  1.00 21.28 ? 96  ILE A CB  1 
ATOM   615  C  CG1 . ILE A 1 96  ? 10.912 -0.397  -0.843  1.00 25.28 ? 96  ILE A CG1 1 
ATOM   616  C  CG2 . ILE A 1 96  ? 8.949  1.257   -1.078  1.00 24.67 ? 96  ILE A CG2 1 
ATOM   617  C  CD1 . ILE A 1 96  ? 11.577 -0.138  -2.153  1.00 28.91 ? 96  ILE A CD1 1 
ATOM   618  N  N   . PRO A 1 97  ? 7.635  -2.763  -0.563  1.00 24.43 ? 97  PRO A N   1 
ATOM   619  C  CA  . PRO A 1 97  ? 7.674  -4.119  -1.108  1.00 20.78 ? 97  PRO A CA  1 
ATOM   620  C  C   . PRO A 1 97  ? 8.672  -4.163  -2.250  1.00 20.27 ? 97  PRO A C   1 
ATOM   621  O  O   . PRO A 1 97  ? 8.741  -3.246  -3.073  1.00 19.02 ? 97  PRO A O   1 
ATOM   622  C  CB  . PRO A 1 97  ? 6.242  -4.358  -1.602  1.00 18.93 ? 97  PRO A CB  1 
ATOM   623  C  CG  . PRO A 1 97  ? 5.449  -3.163  -1.169  1.00 24.97 ? 97  PRO A CG  1 
ATOM   624  C  CD  . PRO A 1 97  ? 6.422  -2.047  -0.982  1.00 24.18 ? 97  PRO A CD  1 
ATOM   625  N  N   . CYS A 1 98  ? 9.452  -5.240  -2.303  1.00 20.62 ? 98  CYS A N   1 
ATOM   626  C  CA  . CYS A 1 98  ? 10.449 -5.320  -3.359  1.00 19.47 ? 98  CYS A CA  1 
ATOM   627  C  C   . CYS A 1 98  ? 9.809  -5.192  -4.734  1.00 18.23 ? 98  CYS A C   1 
ATOM   628  O  O   . CYS A 1 98  ? 10.444 -4.696  -5.668  1.00 18.54 ? 98  CYS A O   1 
ATOM   629  C  CB  . CYS A 1 98  ? 11.242 -6.616  -3.241  1.00 21.60 ? 98  CYS A CB  1 
ATOM   630  S  SG  . CYS A 1 98  ? 12.197 -6.800  -1.696  1.00 20.71 ? 98  CYS A SG  1 
ATOM   631  N  N   . SER A 1 99  ? 8.535  -5.573  -4.862  1.00 20.81 ? 99  SER A N   1 
ATOM   632  C  CA  . SER A 1 99  ? 7.868  -5.522  -6.158  1.00 22.26 ? 99  SER A CA  1 
ATOM   633  C  C   . SER A 1 99  ? 7.715  -4.100  -6.668  1.00 19.39 ? 99  SER A C   1 
ATOM   634  O  O   . SER A 1 99  ? 7.624  -3.895  -7.878  1.00 21.42 ? 99  SER A O   1 
ATOM   635  C  CB  . SER A 1 99  ? 6.500  -6.197  -6.076  1.00 20.15 ? 99  SER A CB  1 
ATOM   636  O  OG  . SER A 1 99  ? 5.630  -5.470  -5.234  1.00 23.07 ? 99  SER A OG  1 
ATOM   637  N  N   . ALA A 1 100 ? 7.680  -3.107  -5.774  1.00 23.47 ? 100 ALA A N   1 
ATOM   638  C  CA  . ALA A 1 100 ? 7.639  -1.723  -6.226  1.00 21.32 ? 100 ALA A CA  1 
ATOM   639  C  C   . ALA A 1 100 ? 8.893  -1.343  -7.003  1.00 23.52 ? 100 ALA A C   1 
ATOM   640  O  O   . ALA A 1 100 ? 8.877  -0.368  -7.772  1.00 22.25 ? 100 ALA A O   1 
ATOM   641  C  CB  . ALA A 1 100 ? 7.458  -0.785  -5.034  1.00 22.95 ? 100 ALA A CB  1 
ATOM   642  N  N   . LEU A 1 101 ? 9.974  -2.092  -6.821  1.00 19.86 ? 101 LEU A N   1 
ATOM   643  C  CA  . LEU A 1 101 ? 11.221 -1.837  -7.528  1.00 20.10 ? 101 LEU A CA  1 
ATOM   644  C  C   . LEU A 1 101 ? 11.224 -2.397  -8.942  1.00 23.53 ? 101 LEU A C   1 
ATOM   645  O  O   . LEU A 1 101 ? 12.189 -2.166  -9.682  1.00 20.27 ? 101 LEU A O   1 
ATOM   646  C  CB  . LEU A 1 101 ? 12.391 -2.431  -6.745  1.00 20.42 ? 101 LEU A CB  1 
ATOM   647  C  CG  . LEU A 1 101 ? 12.522 -1.891  -5.328  1.00 21.25 ? 101 LEU A CG  1 
ATOM   648  C  CD1 . LEU A 1 101 ? 13.628 -2.633  -4.558  1.00 21.07 ? 101 LEU A CD1 1 
ATOM   649  C  CD2 . LEU A 1 101 ? 12.775 -0.402  -5.378  1.00 21.88 ? 101 LEU A CD2 1 
ATOM   650  N  N   . LEU A 1 102 ? 10.184 -3.124  -9.334  1.00 18.25 ? 102 LEU A N   1 
ATOM   651  C  CA  . LEU A 1 102 ? 10.096 -3.669  -10.675 1.00 21.75 ? 102 LEU A CA  1 
ATOM   652  C  C   . LEU A 1 102 ? 9.225  -2.829  -11.604 1.00 21.94 ? 102 LEU A C   1 
ATOM   653  O  O   . LEU A 1 102 ? 9.053  -3.200  -12.771 1.00 26.76 ? 102 LEU A O   1 
ATOM   654  C  CB  . LEU A 1 102 ? 9.554  -5.102  -10.614 1.00 16.17 ? 102 LEU A CB  1 
ATOM   655  C  CG  . LEU A 1 102 ? 10.363 -6.078  -9.768  1.00 18.77 ? 102 LEU A CG  1 
ATOM   656  C  CD1 . LEU A 1 102 ? 9.809  -7.497  -9.899  1.00 16.22 ? 102 LEU A CD1 1 
ATOM   657  C  CD2 . LEU A 1 102 ? 11.835 -6.051  -10.180 1.00 17.62 ? 102 LEU A CD2 1 
ATOM   658  N  N   . SER A 1 103 ? 8.686  -1.711  -11.121 1.00 24.91 ? 103 SER A N   1 
ATOM   659  C  CA  . SER A 1 103 ? 7.725  -0.912  -11.866 1.00 25.73 ? 103 SER A CA  1 
ATOM   660  C  C   . SER A 1 103 ? 8.383  -0.201  -13.046 1.00 24.33 ? 103 SER A C   1 
ATOM   661  O  O   . SER A 1 103 ? 9.592  0.068   -13.062 1.00 21.23 ? 103 SER A O   1 
ATOM   662  C  CB  . SER A 1 103 ? 7.073  0.117   -10.945 1.00 28.71 ? 103 SER A CB  1 
ATOM   663  O  OG  . SER A 1 103 ? 6.156  0.928   -11.660 1.00 30.79 ? 103 SER A OG  1 
ATOM   664  N  N   . SER A 1 104 ? 7.558  0.112   -14.050 1.00 26.98 ? 104 SER A N   1 
ATOM   665  C  CA  . SER A 1 104 ? 8.037  0.882   -15.196 1.00 25.50 ? 104 SER A CA  1 
ATOM   666  C  C   . SER A 1 104 ? 8.414  2.303   -14.810 1.00 23.80 ? 104 SER A C   1 
ATOM   667  O  O   . SER A 1 104 ? 9.143  2.961   -15.560 1.00 27.76 ? 104 SER A O   1 
ATOM   668  C  CB  . SER A 1 104 ? 6.980  0.916   -16.313 1.00 25.83 ? 104 SER A CB  1 
ATOM   669  O  OG  . SER A 1 104 ? 5.704  1.242   -15.794 1.00 34.86 ? 104 SER A OG  1 
ATOM   670  N  N   . ASP A 1 105 ? 7.924  2.793   -13.679 1.00 20.53 ? 105 ASP A N   1 
ATOM   671  C  CA  . ASP A 1 105 ? 8.326  4.087   -13.149 1.00 24.51 ? 105 ASP A CA  1 
ATOM   672  C  C   . ASP A 1 105 ? 9.364  3.839   -12.066 1.00 22.12 ? 105 ASP A C   1 
ATOM   673  O  O   . ASP A 1 105 ? 9.150  3.015   -11.170 1.00 24.73 ? 105 ASP A O   1 
ATOM   674  C  CB  . ASP A 1 105 ? 7.124  4.865   -12.603 1.00 25.19 ? 105 ASP A CB  1 
ATOM   675  C  CG  . ASP A 1 105 ? 7.520  5.914   -11.571 1.00 36.08 ? 105 ASP A CG  1 
ATOM   676  O  OD1 . ASP A 1 105 ? 6.948  5.908   -10.462 1.00 40.38 ? 105 ASP A OD1 1 
ATOM   677  O  OD2 . ASP A 1 105 ? 8.421  6.737   -11.851 1.00 43.62 ? 105 ASP A OD2 1 
ATOM   678  N  N   . ILE A 1 106 ? 10.494 4.535   -12.166 1.00 25.53 ? 106 ILE A N   1 
ATOM   679  C  CA  . ILE A 1 106 ? 11.673 4.214   -11.378 1.00 23.04 ? 106 ILE A CA  1 
ATOM   680  C  C   . ILE A 1 106 ? 11.734 5.004   -10.080 1.00 25.80 ? 106 ILE A C   1 
ATOM   681  O  O   . ILE A 1 106 ? 12.789 5.035   -9.427  1.00 24.69 ? 106 ILE A O   1 
ATOM   682  C  CB  . ILE A 1 106 ? 12.946 4.433   -12.206 1.00 19.06 ? 106 ILE A CB  1 
ATOM   683  C  CG1 . ILE A 1 106 ? 13.107 5.928   -12.519 1.00 28.28 ? 106 ILE A CG1 1 
ATOM   684  C  CG2 . ILE A 1 106 ? 12.898 3.590   -13.469 1.00 23.82 ? 106 ILE A CG2 1 
ATOM   685  C  CD1 . ILE A 1 106 ? 14.460 6.293   -13.106 1.00 23.95 ? 106 ILE A CD1 1 
ATOM   686  N  N   . THR A 1 107 ? 10.633 5.644   -9.679  1.00 21.65 ? 107 THR A N   1 
ATOM   687  C  CA  . THR A 1 107 ? 10.688 6.527   -8.520  1.00 22.42 ? 107 THR A CA  1 
ATOM   688  C  C   . THR A 1 107 ? 11.138 5.780   -7.267  1.00 22.76 ? 107 THR A C   1 
ATOM   689  O  O   . THR A 1 107 ? 12.053 6.224   -6.560  1.00 19.83 ? 107 THR A O   1 
ATOM   690  C  CB  . THR A 1 107 ? 9.336  7.201   -8.293  1.00 23.34 ? 107 THR A CB  1 
ATOM   691  O  OG1 . THR A 1 107 ? 9.068  8.092   -9.377  1.00 28.76 ? 107 THR A OG1 1 
ATOM   692  C  CG2 . THR A 1 107 ? 9.367  7.986   -6.998  1.00 25.40 ? 107 THR A CG2 1 
ATOM   693  N  N   . ALA A 1 108 ? 10.518 4.634   -6.982  1.00 22.09 ? 108 ALA A N   1 
ATOM   694  C  CA  . ALA A 1 108 ? 10.895 3.902   -5.778  1.00 24.78 ? 108 ALA A CA  1 
ATOM   695  C  C   . ALA A 1 108 ? 12.351 3.464   -5.846  1.00 19.17 ? 108 ALA A C   1 
ATOM   696  O  O   . ALA A 1 108 ? 13.079 3.562   -4.855  1.00 20.53 ? 108 ALA A O   1 
ATOM   697  C  CB  . ALA A 1 108 ? 9.978  2.697   -5.572  1.00 21.11 ? 108 ALA A CB  1 
ATOM   698  N  N   . SER A 1 109 ? 12.804 3.014   -7.018  1.00 20.91 ? 109 SER A N   1 
ATOM   699  C  CA  . SER A 1 109 ? 14.190 2.573   -7.148  1.00 18.27 ? 109 SER A CA  1 
ATOM   700  C  C   . SER A 1 109 ? 15.150 3.718   -6.876  1.00 19.12 ? 109 SER A C   1 
ATOM   701  O  O   . SER A 1 109 ? 16.134 3.555   -6.142  1.00 19.28 ? 109 SER A O   1 
ATOM   702  C  CB  . SER A 1 109 ? 14.436 1.984   -8.534  1.00 16.75 ? 109 SER A CB  1 
ATOM   703  O  OG  . SER A 1 109 ? 13.973 0.642   -8.638  1.00 19.90 ? 109 SER A OG  1 
ATOM   704  N  N   . VAL A 1 110 ? 14.857 4.895   -7.428  1.00 20.56 ? 110 VAL A N   1 
ATOM   705  C  CA  . VAL A 1 110 ? 15.735 6.048   -7.243  1.00 21.87 ? 110 VAL A CA  1 
ATOM   706  C  C   . VAL A 1 110 ? 15.761 6.474   -5.782  1.00 19.79 ? 110 VAL A C   1 
ATOM   707  O  O   . VAL A 1 110 ? 16.829 6.736   -5.221  1.00 19.89 ? 110 VAL A O   1 
ATOM   708  C  CB  . VAL A 1 110 ? 15.303 7.209   -8.155  1.00 20.15 ? 110 VAL A CB  1 
ATOM   709  C  CG1 . VAL A 1 110 ? 16.107 8.464   -7.811  1.00 21.56 ? 110 VAL A CG1 1 
ATOM   710  C  CG2 . VAL A 1 110 ? 15.496 6.828   -9.611  1.00 25.48 ? 110 VAL A CG2 1 
ATOM   711  N  N   . ASN A 1 111 ? 14.588 6.551   -5.143  1.00 20.48 ? 111 ASN A N   1 
ATOM   712  C  CA  . ASN A 1 111 ? 14.548 6.941   -3.736  1.00 19.96 ? 111 ASN A CA  1 
ATOM   713  C  C   . ASN A 1 111 ? 15.306 5.956   -2.866  1.00 24.72 ? 111 ASN A C   1 
ATOM   714  O  O   . ASN A 1 111 ? 15.967 6.351   -1.899  1.00 25.67 ? 111 ASN A O   1 
ATOM   715  C  CB  . ASN A 1 111 ? 13.107 7.054   -3.244  1.00 26.11 ? 111 ASN A CB  1 
ATOM   716  C  CG  . ASN A 1 111 ? 12.404 8.255   -3.806  1.00 30.18 ? 111 ASN A CG  1 
ATOM   717  O  OD1 . ASN A 1 111 ? 13.046 9.239   -4.183  1.00 29.04 ? 111 ASN A OD1 1 
ATOM   718  N  ND2 . ASN A 1 111 ? 11.072 8.185   -3.878  1.00 30.42 ? 111 ASN A ND2 1 
ATOM   719  N  N   . CYS A 1 112 ? 15.201 4.659   -3.177  1.00 22.84 ? 112 CYS A N   1 
ATOM   720  C  CA  . CYS A 1 112 ? 15.913 3.670   -2.382  1.00 20.51 ? 112 CYS A CA  1 
ATOM   721  C  C   . CYS A 1 112 ? 17.412 3.701   -2.676  1.00 20.56 ? 112 CYS A C   1 
ATOM   722  O  O   . CYS A 1 112 ? 18.227 3.540   -1.760  1.00 22.00 ? 112 CYS A O   1 
ATOM   723  C  CB  . CYS A 1 112 ? 15.315 2.287   -2.634  1.00 17.91 ? 112 CYS A CB  1 
ATOM   724  S  SG  . CYS A 1 112 ? 15.932 1.018   -1.565  1.00 26.00 ? 112 CYS A SG  1 
ATOM   725  N  N   . ALA A 1 113 ? 17.797 3.912   -3.944  1.00 19.18 ? 113 ALA A N   1 
ATOM   726  C  CA  . ALA A 1 113 ? 19.216 4.073   -4.274  1.00 19.02 ? 113 ALA A CA  1 
ATOM   727  C  C   . ALA A 1 113 ? 19.847 5.235   -3.523  1.00 20.97 ? 113 ALA A C   1 
ATOM   728  O  O   . ALA A 1 113 ? 21.040 5.181   -3.191  1.00 20.20 ? 113 ALA A O   1 
ATOM   729  C  CB  . ALA A 1 113 ? 19.413 4.300   -5.772  1.00 17.63 ? 113 ALA A CB  1 
ATOM   730  N  N   . LYS A 1 114 ? 19.087 6.313   -3.302  1.00 19.59 ? 114 LYS A N   1 
ATOM   731  C  CA  . LYS A 1 114 ? 19.618 7.445   -2.556  1.00 19.70 ? 114 LYS A CA  1 
ATOM   732  C  C   . LYS A 1 114 ? 19.949 7.048   -1.126  1.00 23.93 ? 114 LYS A C   1 
ATOM   733  O  O   . LYS A 1 114 ? 20.916 7.559   -0.546  1.00 22.36 ? 114 LYS A O   1 
ATOM   734  C  CB  . LYS A 1 114 ? 18.620 8.608   -2.575  1.00 20.16 ? 114 LYS A CB  1 
ATOM   735  C  CG  . LYS A 1 114 ? 18.601 9.386   -3.880  1.00 19.69 ? 114 LYS A CG  1 
ATOM   736  C  CD  . LYS A 1 114 ? 17.468 10.415  -3.898  1.00 20.62 ? 114 LYS A CD  1 
ATOM   737  C  CE  . LYS A 1 114 ? 17.490 11.241  -5.183  1.00 19.60 ? 114 LYS A CE  1 
ATOM   738  N  NZ  . LYS A 1 114 ? 16.251 12.065  -5.363  1.00 25.99 ? 114 LYS A NZ  1 
ATOM   739  N  N   . LYS A 1 115 ? 19.161 6.143   -0.541  1.00 19.04 ? 115 LYS A N   1 
ATOM   740  C  CA  . LYS A 1 115 ? 19.454 5.686   0.813   1.00 23.30 ? 115 LYS A CA  1 
ATOM   741  C  C   . LYS A 1 115 ? 20.652 4.743   0.827   1.00 23.21 ? 115 LYS A C   1 
ATOM   742  O  O   . LYS A 1 115 ? 21.500 4.817   1.722   1.00 22.58 ? 115 LYS A O   1 
ATOM   743  C  CB  . LYS A 1 115 ? 18.225 5.007   1.418   1.00 25.18 ? 115 LYS A CB  1 
ATOM   744  C  CG  . LYS A 1 115 ? 17.066 5.955   1.688   1.00 28.47 ? 115 LYS A CG  1 
ATOM   745  C  CD  . LYS A 1 115 ? 15.807 5.202   2.139   1.00 36.28 ? 115 LYS A CD  1 
ATOM   746  C  CE  . LYS A 1 115 ? 14.652 6.166   2.514   1.00 36.80 ? 115 LYS A CE  1 
ATOM   747  N  NZ  . LYS A 1 115 ? 13.901 6.711   1.336   1.00 40.35 ? 115 LYS A NZ  1 
ATOM   748  N  N   . ILE A 1 116 ? 20.739 3.850   -0.160  1.00 21.04 ? 116 ILE A N   1 
ATOM   749  C  CA  . ILE A 1 116 ? 21.863 2.917   -0.234  1.00 20.10 ? 116 ILE A CA  1 
ATOM   750  C  C   . ILE A 1 116 ? 23.177 3.677   -0.381  1.00 20.28 ? 116 ILE A C   1 
ATOM   751  O  O   . ILE A 1 116 ? 24.152 3.421   0.336   1.00 20.07 ? 116 ILE A O   1 
ATOM   752  C  CB  . ILE A 1 116 ? 21.656 1.936   -1.403  1.00 19.70 ? 116 ILE A CB  1 
ATOM   753  C  CG1 . ILE A 1 116 ? 20.386 1.121   -1.214  1.00 18.82 ? 116 ILE A CG1 1 
ATOM   754  C  CG2 . ILE A 1 116 ? 22.881 1.045   -1.593  1.00 19.29 ? 116 ILE A CG2 1 
ATOM   755  C  CD1 . ILE A 1 116 ? 20.122 0.177   -2.372  1.00 18.24 ? 116 ILE A CD1 1 
ATOM   756  N  N   . VAL A 1 117 ? 23.231 4.615   -1.328  1.00 17.69 ? 117 VAL A N   1 
ATOM   757  C  CA  . VAL A 1 117 ? 24.500 5.272   -1.623  1.00 21.40 ? 117 VAL A CA  1 
ATOM   758  C  C   . VAL A 1 117 ? 24.925 6.198   -0.492  1.00 22.86 ? 117 VAL A C   1 
ATOM   759  O  O   . VAL A 1 117 ? 26.109 6.535   -0.386  1.00 21.46 ? 117 VAL A O   1 
ATOM   760  C  CB  . VAL A 1 117 ? 24.427 6.026   -2.965  1.00 16.85 ? 117 VAL A CB  1 
ATOM   761  C  CG1 . VAL A 1 117 ? 23.489 7.251   -2.859  1.00 18.99 ? 117 VAL A CG1 1 
ATOM   762  C  CG2 . VAL A 1 117 ? 25.804 6.415   -3.425  1.00 18.34 ? 117 VAL A CG2 1 
ATOM   763  N  N   . SER A 1 118 ? 24.002 6.593   0.376   1.00 22.30 ? 118 SER A N   1 
ATOM   764  C  CA  . SER A 1 118 ? 24.333 7.405   1.540   1.00 25.34 ? 118 SER A CA  1 
ATOM   765  C  C   . SER A 1 118 ? 24.814 6.578   2.723   1.00 22.75 ? 118 SER A C   1 
ATOM   766  O  O   . SER A 1 118 ? 25.084 7.147   3.782   1.00 28.09 ? 118 SER A O   1 
ATOM   767  C  CB  . SER A 1 118 ? 23.116 8.232   1.970   1.00 24.47 ? 118 SER A CB  1 
ATOM   768  O  OG  . SER A 1 118 ? 22.745 9.157   0.971   1.00 27.04 ? 118 SER A OG  1 
ATOM   769  N  N   . ASP A 1 119 ? 24.933 5.261   2.574   1.00 28.59 ? 119 ASP A N   1 
ATOM   770  C  CA  . ASP A 1 119 ? 25.100 4.377   3.721   1.00 27.57 ? 119 ASP A CA  1 
ATOM   771  C  C   . ASP A 1 119 ? 26.533 4.296   4.222   1.00 27.84 ? 119 ASP A C   1 
ATOM   772  O  O   . ASP A 1 119 ? 26.776 3.613   5.222   1.00 32.08 ? 119 ASP A O   1 
ATOM   773  C  CB  . ASP A 1 119 ? 24.600 2.969   3.376   1.00 31.46 ? 119 ASP A CB  1 
ATOM   774  C  CG  . ASP A 1 119 ? 24.334 2.132   4.600   1.00 34.09 ? 119 ASP A CG  1 
ATOM   775  O  OD1 . ASP A 1 119 ? 23.618 2.621   5.502   1.00 38.68 ? 119 ASP A OD1 1 
ATOM   776  O  OD2 . ASP A 1 119 ? 24.825 0.984   4.654   1.00 40.53 ? 119 ASP A OD2 1 
ATOM   777  N  N   . GLY A 1 120 ? 27.484 4.958   3.567   1.00 28.94 ? 120 GLY A N   1 
ATOM   778  C  CA  . GLY A 1 120 ? 28.854 4.953   4.046   1.00 27.02 ? 120 GLY A CA  1 
ATOM   779  C  C   . GLY A 1 120 ? 29.880 4.528   3.014   1.00 27.12 ? 120 GLY A C   1 
ATOM   780  O  O   . GLY A 1 120 ? 31.016 5.006   3.041   1.00 28.43 ? 120 GLY A O   1 
ATOM   781  N  N   . ASN A 1 121 ? 29.498 3.651   2.085   1.00 22.99 ? 121 ASN A N   1 
ATOM   782  C  CA  . ASN A 1 121 ? 30.435 3.135   1.098   1.00 24.91 ? 121 ASN A CA  1 
ATOM   783  C  C   . ASN A 1 121 ? 30.181 3.688   -0.293  1.00 21.12 ? 121 ASN A C   1 
ATOM   784  O  O   . ASN A 1 121 ? 30.805 3.230   -1.249  1.00 22.56 ? 121 ASN A O   1 
ATOM   785  C  CB  . ASN A 1 121 ? 30.400 1.609   1.098   1.00 25.06 ? 121 ASN A CB  1 
ATOM   786  C  CG  . ASN A 1 121 ? 30.877 1.038   2.411   1.00 32.65 ? 121 ASN A CG  1 
ATOM   787  O  OD1 . ASN A 1 121 ? 31.948 1.401   2.905   1.00 33.32 ? 121 ASN A OD1 1 
ATOM   788  N  ND2 . ASN A 1 121 ? 30.068 0.180   3.013   1.00 35.93 ? 121 ASN A ND2 1 
ATOM   789  N  N   . GLY A 1 122 ? 29.311 4.684   -0.418  1.00 16.55 ? 122 GLY A N   1 
ATOM   790  C  CA  . GLY A 1 122 ? 29.048 5.271   -1.718  1.00 23.64 ? 122 GLY A CA  1 
ATOM   791  C  C   . GLY A 1 122 ? 28.485 4.257   -2.692  1.00 18.90 ? 122 GLY A C   1 
ATOM   792  O  O   . GLY A 1 122 ? 27.662 3.408   -2.336  1.00 21.41 ? 122 GLY A O   1 
ATOM   793  N  N   . MET A 1 123 ? 28.924 4.343   -3.951  1.00 19.52 ? 123 MET A N   1 
ATOM   794  C  CA  . MET A 1 123 ? 28.392 3.436   -4.964  1.00 18.19 ? 123 MET A CA  1 
ATOM   795  C  C   . MET A 1 123 ? 29.044 2.058   -4.945  1.00 16.73 ? 123 MET A C   1 
ATOM   796  O  O   . MET A 1 123 ? 28.588 1.175   -5.682  1.00 16.83 ? 123 MET A O   1 
ATOM   797  C  CB  . MET A 1 123 ? 28.504 4.061   -6.352  1.00 15.40 ? 123 MET A CB  1 
ATOM   798  C  CG  . MET A 1 123 ? 27.337 5.021   -6.640  1.00 16.01 ? 123 MET A CG  1 
ATOM   799  S  SD  . MET A 1 123 ? 27.172 5.599   -8.331  1.00 19.23 ? 123 MET A SD  1 
ATOM   800  C  CE  . MET A 1 123 ? 26.362 4.170   -9.038  1.00 20.32 ? 123 MET A CE  1 
ATOM   801  N  N   . ASN A 1 124 ? 30.076 1.836   -4.114  1.00 16.57 ? 124 ASN A N   1 
ATOM   802  C  CA  . ASN A 1 124 ? 30.633 0.488   -3.967  1.00 15.00 ? 124 ASN A CA  1 
ATOM   803  C  C   . ASN A 1 124 ? 29.613 -0.497  -3.427  1.00 15.88 ? 124 ASN A C   1 
ATOM   804  O  O   . ASN A 1 124 ? 29.841 -1.704  -3.505  1.00 15.91 ? 124 ASN A O   1 
ATOM   805  C  CB  . ASN A 1 124 ? 31.857 0.491   -3.053  1.00 15.76 ? 124 ASN A CB  1 
ATOM   806  C  CG  . ASN A 1 124 ? 32.954 1.372   -3.565  1.00 17.78 ? 124 ASN A CG  1 
ATOM   807  O  OD1 . ASN A 1 124 ? 33.629 1.039   -4.542  1.00 17.31 ? 124 ASN A OD1 1 
ATOM   808  N  ND2 . ASN A 1 124 ? 33.143 2.517   -2.911  1.00 13.73 ? 124 ASN A ND2 1 
ATOM   809  N  N   . ALA A 1 125 ? 28.502 -0.007  -2.874  1.00 16.14 ? 125 ALA A N   1 
ATOM   810  C  CA  . ALA A 1 125 ? 27.393 -0.868  -2.518  1.00 16.91 ? 125 ALA A CA  1 
ATOM   811  C  C   . ALA A 1 125 ? 26.884 -1.673  -3.712  1.00 18.70 ? 125 ALA A C   1 
ATOM   812  O  O   . ALA A 1 125 ? 26.265 -2.716  -3.509  1.00 23.38 ? 125 ALA A O   1 
ATOM   813  C  CB  . ALA A 1 125 ? 26.262 -0.027  -1.912  1.00 17.15 ? 125 ALA A CB  1 
ATOM   814  N  N   . TRP A 1 126 ? 27.128 -1.222  -4.949  1.00 17.62 ? 126 TRP A N   1 
ATOM   815  C  CA  . TRP A 1 126 ? 26.821 -2.000  -6.152  1.00 17.05 ? 126 TRP A CA  1 
ATOM   816  C  C   . TRP A 1 126 ? 28.117 -2.602  -6.681  1.00 20.11 ? 126 TRP A C   1 
ATOM   817  O  O   . TRP A 1 126 ? 28.954 -1.887  -7.238  1.00 16.73 ? 126 TRP A O   1 
ATOM   818  C  CB  . TRP A 1 126 ? 26.162 -1.137  -7.226  1.00 19.10 ? 126 TRP A CB  1 
ATOM   819  C  CG  . TRP A 1 126 ? 24.760 -0.687  -6.920  1.00 20.21 ? 126 TRP A CG  1 
ATOM   820  C  CD1 . TRP A 1 126 ? 23.605 -1.327  -7.259  1.00 19.00 ? 126 TRP A CD1 1 
ATOM   821  C  CD2 . TRP A 1 126 ? 24.369 0.519   -6.250  1.00 19.50 ? 126 TRP A CD2 1 
ATOM   822  N  NE1 . TRP A 1 126 ? 22.520 -0.606  -6.824  1.00 20.39 ? 126 TRP A NE1 1 
ATOM   823  C  CE2 . TRP A 1 126 ? 22.961 0.532   -6.203  1.00 20.20 ? 126 TRP A CE2 1 
ATOM   824  C  CE3 . TRP A 1 126 ? 25.076 1.587   -5.678  1.00 17.34 ? 126 TRP A CE3 1 
ATOM   825  C  CZ2 . TRP A 1 126 ? 22.238 1.571   -5.606  1.00 19.99 ? 126 TRP A CZ2 1 
ATOM   826  C  CZ3 . TRP A 1 126 ? 24.363 2.616   -5.085  1.00 17.29 ? 126 TRP A CZ3 1 
ATOM   827  C  CH2 . TRP A 1 126 ? 22.956 2.601   -5.050  1.00 20.45 ? 126 TRP A CH2 1 
ATOM   828  N  N   . VAL A 1 127 ? 28.287 -3.919  -6.524  1.00 22.81 ? 127 VAL A N   1 
ATOM   829  C  CA  . VAL A 1 127 ? 29.569 -4.504  -6.908  1.00 22.77 ? 127 VAL A CA  1 
ATOM   830  C  C   . VAL A 1 127 ? 29.757 -4.455  -8.417  1.00 20.51 ? 127 VAL A C   1 
ATOM   831  O  O   . VAL A 1 127 ? 30.893 -4.377  -8.898  1.00 22.67 ? 127 VAL A O   1 
ATOM   832  C  CB  . VAL A 1 127 ? 29.726 -5.941  -6.369  1.00 24.20 ? 127 VAL A CB  1 
ATOM   833  C  CG1 . VAL A 1 127 ? 29.451 -5.980  -4.869  1.00 26.75 ? 127 VAL A CG1 1 
ATOM   834  C  CG2 . VAL A 1 127 ? 28.837 -6.889  -7.121  1.00 26.25 ? 127 VAL A CG2 1 
ATOM   835  N  N   . ALA A 1 128 ? 28.670 -4.485  -9.191  1.00 19.78 ? 128 ALA A N   1 
ATOM   836  C  CA  . ALA A 1 128 ? 28.805 -4.296  -10.634 1.00 20.51 ? 128 ALA A CA  1 
ATOM   837  C  C   . ALA A 1 128 ? 29.341 -2.908  -10.955 1.00 18.80 ? 128 ALA A C   1 
ATOM   838  O  O   . ALA A 1 128 ? 30.094 -2.730  -11.920 1.00 19.70 ? 128 ALA A O   1 
ATOM   839  C  CB  . ALA A 1 128 ? 27.466 -4.521  -11.332 1.00 22.45 ? 128 ALA A CB  1 
ATOM   840  N  N   . TRP A 1 129 ? 28.959 -1.906  -10.168 1.00 17.85 ? 129 TRP A N   1 
ATOM   841  C  CA  . TRP A 1 129 ? 29.518 -0.579  -10.398 1.00 17.58 ? 129 TRP A CA  1 
ATOM   842  C  C   . TRP A 1 129 ? 30.996 -0.547  -10.061 1.00 14.03 ? 129 TRP A C   1 
ATOM   843  O  O   . TRP A 1 129 ? 31.792 0.019   -10.813 1.00 15.45 ? 129 TRP A O   1 
ATOM   844  C  CB  . TRP A 1 129 ? 28.784 0.486   -9.583  1.00 16.54 ? 129 TRP A CB  1 
ATOM   845  C  CG  . TRP A 1 129 ? 29.443 1.860   -9.736  1.00 15.65 ? 129 TRP A CG  1 
ATOM   846  C  CD1 . TRP A 1 129 ? 29.198 2.768   -10.712 1.00 15.78 ? 129 TRP A CD1 1 
ATOM   847  C  CD2 . TRP A 1 129 ? 30.450 2.447   -8.888  1.00 17.48 ? 129 TRP A CD2 1 
ATOM   848  N  NE1 . TRP A 1 129 ? 29.978 3.880   -10.534 1.00 17.94 ? 129 TRP A NE1 1 
ATOM   849  C  CE2 . TRP A 1 129 ? 30.757 3.711   -9.422  1.00 15.79 ? 129 TRP A CE2 1 
ATOM   850  C  CE3 . TRP A 1 129 ? 31.116 2.028   -7.731  1.00 15.24 ? 129 TRP A CE3 1 
ATOM   851  C  CZ2 . TRP A 1 129 ? 31.695 4.557   -8.843  1.00 18.75 ? 129 TRP A CZ2 1 
ATOM   852  C  CZ3 . TRP A 1 129 ? 32.036 2.870   -7.152  1.00 16.56 ? 129 TRP A CZ3 1 
ATOM   853  C  CH2 . TRP A 1 129 ? 32.325 4.121   -7.712  1.00 17.26 ? 129 TRP A CH2 1 
ATOM   854  N  N   . ARG A 1 130 ? 31.385 -1.136  -8.929  1.00 16.41 ? 130 ARG A N   1 
ATOM   855  C  CA  . ARG A 1 130 ? 32.798 -1.128  -8.562  1.00 16.37 ? 130 ARG A CA  1 
ATOM   856  C  C   . ARG A 1 130 ? 33.622 -1.902  -9.578  1.00 18.79 ? 130 ARG A C   1 
ATOM   857  O  O   . ARG A 1 130 ? 34.724 -1.483  -9.952  1.00 19.65 ? 130 ARG A O   1 
ATOM   858  C  CB  . ARG A 1 130 ? 32.996 -1.714  -7.165  1.00 17.08 ? 130 ARG A CB  1 
ATOM   859  C  CG  . ARG A 1 130 ? 34.478 -1.925  -6.831  1.00 23.95 ? 130 ARG A CG  1 
ATOM   860  C  CD  . ARG A 1 130 ? 34.707 -2.431  -5.414  1.00 26.66 ? 130 ARG A CD  1 
ATOM   861  N  NE  . ARG A 1 130 ? 33.921 -3.627  -5.136  1.00 28.78 ? 130 ARG A NE  1 
ATOM   862  C  CZ  . ARG A 1 130 ? 34.303 -4.864  -5.424  1.00 39.17 ? 130 ARG A CZ  1 
ATOM   863  N  NH1 . ARG A 1 130 ? 35.457 -5.112  -6.039  1.00 30.91 ? 130 ARG A NH1 1 
ATOM   864  N  NH2 . ARG A 1 130 ? 33.507 -5.878  -5.089  1.00 37.18 ? 130 ARG A NH2 1 
ATOM   865  N  N   . ASN A 1 131 ? 33.087 -3.018  -10.064 1.00 18.12 ? 131 ASN A N   1 
ATOM   866  C  CA  . ASN A 1 131 ? 33.859 -3.883  -10.946 1.00 22.63 ? 131 ASN A CA  1 
ATOM   867  C  C   . ASN A 1 131 ? 33.903 -3.380  -12.382 1.00 18.55 ? 131 ASN A C   1 
ATOM   868  O  O   . ASN A 1 131 ? 34.894 -3.620  -13.082 1.00 23.58 ? 131 ASN A O   1 
ATOM   869  C  CB  . ASN A 1 131 ? 33.291 -5.292  -10.893 1.00 21.57 ? 131 ASN A CB  1 
ATOM   870  C  CG  . ASN A 1 131 ? 33.710 -6.011  -9.643  1.00 24.09 ? 131 ASN A CG  1 
ATOM   871  O  OD1 . ASN A 1 131 ? 34.748 -5.685  -9.063  1.00 22.92 ? 131 ASN A OD1 1 
ATOM   872  N  ND2 . ASN A 1 131 ? 32.911 -6.983  -9.208  1.00 22.87 ? 131 ASN A ND2 1 
ATOM   873  N  N   . ARG A 1 132 ? 32.863 -2.691  -12.841 1.00 18.34 ? 132 ARG A N   1 
ATOM   874  C  CA  . ARG A 1 132 ? 32.697 -2.432  -14.267 1.00 16.69 ? 132 ARG A CA  1 
ATOM   875  C  C   . ARG A 1 132 ? 32.555 -0.960  -14.621 1.00 21.56 ? 132 ARG A C   1 
ATOM   876  O  O   . ARG A 1 132 ? 32.654 -0.616  -15.805 1.00 19.02 ? 132 ARG A O   1 
ATOM   877  C  CB  . ARG A 1 132 ? 31.488 -3.217  -14.792 1.00 16.75 ? 132 ARG A CB  1 
ATOM   878  C  CG  . ARG A 1 132 ? 31.617 -4.703  -14.427 1.00 18.84 ? 132 ARG A CG  1 
ATOM   879  C  CD  . ARG A 1 132 ? 30.501 -5.549  -14.955 1.00 18.48 ? 132 ARG A CD  1 
ATOM   880  N  NE  . ARG A 1 132 ? 30.533 -5.691  -16.405 1.00 17.46 ? 132 ARG A NE  1 
ATOM   881  C  CZ  . ARG A 1 132 ? 29.673 -6.438  -17.084 1.00 21.78 ? 132 ARG A CZ  1 
ATOM   882  N  NH1 . ARG A 1 132 ? 28.695 -7.095  -16.472 1.00 18.81 ? 132 ARG A NH1 1 
ATOM   883  N  NH2 . ARG A 1 132 ? 29.796 -6.535  -18.403 1.00 20.72 ? 132 ARG A NH2 1 
ATOM   884  N  N   . CYS A 1 133 ? 32.358 -0.087  -13.647 1.00 14.52 ? 133 CYS A N   1 
ATOM   885  C  CA  . CYS A 1 133 ? 32.144 1.330   -13.919 1.00 17.32 ? 133 CYS A CA  1 
ATOM   886  C  C   . CYS A 1 133 ? 33.170 2.208   -13.242 1.00 17.03 ? 133 CYS A C   1 
ATOM   887  O  O   . CYS A 1 133 ? 33.640 3.177   -13.841 1.00 24.96 ? 133 CYS A O   1 
ATOM   888  C  CB  . CYS A 1 133 ? 30.747 1.772   -13.448 1.00 17.24 ? 133 CYS A CB  1 
ATOM   889  S  SG  . CYS A 1 133 ? 29.346 0.914   -14.180 1.00 20.22 ? 133 CYS A SG  1 
ATOM   890  N  N   . LYS A 1 134 ? 33.506 1.906   -11.996 1.00 15.66 ? 134 LYS A N   1 
ATOM   891  C  CA  . LYS A 1 134 ? 34.446 2.726   -11.252 1.00 17.39 ? 134 LYS A CA  1 
ATOM   892  C  C   . LYS A 1 134 ? 35.758 2.856   -12.010 1.00 18.47 ? 134 LYS A C   1 
ATOM   893  O  O   . LYS A 1 134 ? 36.320 1.860   -12.471 1.00 21.70 ? 134 LYS A O   1 
ATOM   894  C  CB  . LYS A 1 134 ? 34.682 2.097   -9.890  1.00 19.86 ? 134 LYS A CB  1 
ATOM   895  C  CG  . LYS A 1 134 ? 35.501 2.939   -8.923  1.00 20.16 ? 134 LYS A CG  1 
ATOM   896  C  CD  . LYS A 1 134 ? 35.697 2.120   -7.646  1.00 20.96 ? 134 LYS A CD  1 
ATOM   897  C  CE  . LYS A 1 134 ? 36.264 2.940   -6.510  1.00 20.94 ? 134 LYS A CE  1 
ATOM   898  N  NZ  . LYS A 1 134 ? 36.358 2.119   -5.271  1.00 19.90 ? 134 LYS A NZ  1 
ATOM   899  N  N   . GLY A 1 135 ? 36.232 4.089   -12.165 1.00 21.03 ? 135 GLY A N   1 
ATOM   900  C  CA  . GLY A 1 135 ? 37.494 4.323   -12.835 1.00 24.83 ? 135 GLY A CA  1 
ATOM   901  C  C   . GLY A 1 135 ? 37.459 4.269   -14.349 1.00 27.95 ? 135 GLY A C   1 
ATOM   902  O  O   . GLY A 1 135 ? 38.507 4.449   -14.981 1.00 25.31 ? 135 GLY A O   1 
ATOM   903  N  N   . THR A 1 136 ? 36.304 4.036   -14.954 1.00 24.62 ? 136 THR A N   1 
ATOM   904  C  CA  . THR A 1 136 ? 36.172 4.074   -16.400 1.00 23.48 ? 136 THR A CA  1 
ATOM   905  C  C   . THR A 1 136 ? 35.666 5.447   -16.843 1.00 22.53 ? 136 THR A C   1 
ATOM   906  O  O   . THR A 1 136 ? 35.463 6.360   -16.041 1.00 23.11 ? 136 THR A O   1 
ATOM   907  C  CB  . THR A 1 136 ? 35.226 2.975   -16.876 1.00 23.21 ? 136 THR A CB  1 
ATOM   908  O  OG1 . THR A 1 136 ? 33.889 3.295   -16.456 1.00 20.16 ? 136 THR A OG1 1 
ATOM   909  C  CG2 . THR A 1 136 ? 35.641 1.613   -16.300 1.00 22.30 ? 136 THR A CG2 1 
ATOM   910  N  N   . ASP A 1 137 ? 35.436 5.584   -18.148 1.00 23.11 ? 137 ASP A N   1 
ATOM   911  C  CA  . ASP A 1 137 ? 34.903 6.826   -18.714 1.00 26.42 ? 137 ASP A CA  1 
ATOM   912  C  C   . ASP A 1 137 ? 33.375 6.763   -18.658 1.00 24.19 ? 137 ASP A C   1 
ATOM   913  O  O   . ASP A 1 137 ? 32.692 6.522   -19.655 1.00 27.83 ? 137 ASP A O   1 
ATOM   914  C  CB  . ASP A 1 137 ? 35.416 7.019   -20.137 1.00 30.19 ? 137 ASP A CB  1 
ATOM   915  C  CG  . ASP A 1 137 ? 34.953 8.328   -20.768 1.00 30.29 ? 137 ASP A CG  1 
ATOM   916  O  OD1 . ASP A 1 137 ? 34.528 9.240   -20.026 1.00 32.65 ? 137 ASP A OD1 1 
ATOM   917  O  OD2 . ASP A 1 137 ? 35.019 8.441   -22.012 1.00 29.41 ? 137 ASP A OD2 1 
ATOM   918  N  N   . VAL A 1 138 ? 32.832 6.974   -17.455 1.00 27.95 ? 138 VAL A N   1 
ATOM   919  C  CA  . VAL A 1 138 ? 31.393 6.831   -17.260 1.00 22.87 ? 138 VAL A CA  1 
ATOM   920  C  C   . VAL A 1 138 ? 30.602 7.933   -17.950 1.00 28.07 ? 138 VAL A C   1 
ATOM   921  O  O   . VAL A 1 138 ? 29.399 7.767   -18.185 1.00 24.35 ? 138 VAL A O   1 
ATOM   922  C  CB  . VAL A 1 138 ? 31.035 6.807   -15.763 1.00 24.69 ? 138 VAL A CB  1 
ATOM   923  C  CG1 . VAL A 1 138 ? 31.625 5.565   -15.069 1.00 21.92 ? 138 VAL A CG1 1 
ATOM   924  C  CG2 . VAL A 1 138 ? 31.487 8.074   -15.095 1.00 21.43 ? 138 VAL A CG2 1 
ATOM   925  N  N   . GLN A 1 139 ? 31.231 9.066   -18.275 1.00 26.42 ? 139 GLN A N   1 
ATOM   926  C  CA  . GLN A 1 139 ? 30.498 10.103  -18.996 1.00 28.53 ? 139 GLN A CA  1 
ATOM   927  C  C   . GLN A 1 139 ? 30.019 9.591   -20.351 1.00 27.04 ? 139 GLN A C   1 
ATOM   928  O  O   . GLN A 1 139 ? 28.989 10.047  -20.861 1.00 20.91 ? 139 GLN A O   1 
ATOM   929  C  CB  . GLN A 1 139 ? 31.372 11.352  -19.155 1.00 29.49 ? 139 GLN A CB  1 
ATOM   930  C  CG  . GLN A 1 139 ? 30.650 12.602  -19.680 1.00 27.77 ? 139 GLN A CG  1 
ATOM   931  C  CD  . GLN A 1 139 ? 30.441 12.578  -21.190 1.00 33.96 ? 139 GLN A CD  1 
ATOM   932  O  OE1 . GLN A 1 139 ? 31.281 12.071  -21.943 1.00 38.15 ? 139 GLN A OE1 1 
ATOM   933  N  NE2 . GLN A 1 139 ? 29.308 13.110  -21.638 1.00 37.23 ? 139 GLN A NE2 1 
ATOM   934  N  N   . ALA A 1 140 ? 30.746 8.637   -20.944 1.00 24.23 ? 140 ALA A N   1 
ATOM   935  C  CA  . ALA A 1 140 ? 30.317 8.061   -22.218 1.00 25.16 ? 140 ALA A CA  1 
ATOM   936  C  C   . ALA A 1 140 ? 28.893 7.517   -22.158 1.00 25.07 ? 140 ALA A C   1 
ATOM   937  O  O   . ALA A 1 140 ? 28.198 7.482   -23.180 1.00 19.74 ? 140 ALA A O   1 
ATOM   938  C  CB  . ALA A 1 140 ? 31.273 6.951   -22.647 1.00 26.43 ? 140 ALA A CB  1 
ATOM   939  N  N   . TRP A 1 141 ? 28.423 7.123   -20.976 1.00 22.20 ? 141 TRP A N   1 
ATOM   940  C  CA  . TRP A 1 141 ? 27.081 6.551   -20.891 1.00 27.00 ? 141 TRP A CA  1 
ATOM   941  C  C   . TRP A 1 141 ? 25.978 7.584   -21.083 1.00 25.12 ? 141 TRP A C   1 
ATOM   942  O  O   . TRP A 1 141 ? 24.837 7.202   -21.363 1.00 26.21 ? 141 TRP A O   1 
ATOM   943  C  CB  . TRP A 1 141 ? 26.911 5.820   -19.560 1.00 24.04 ? 141 TRP A CB  1 
ATOM   944  C  CG  . TRP A 1 141 ? 27.679 4.558   -19.582 1.00 25.23 ? 141 TRP A CG  1 
ATOM   945  C  CD1 . TRP A 1 141 ? 28.889 4.328   -19.023 1.00 25.42 ? 141 TRP A CD1 1 
ATOM   946  C  CD2 . TRP A 1 141 ? 27.306 3.350   -20.259 1.00 25.42 ? 141 TRP A CD2 1 
ATOM   947  N  NE1 . TRP A 1 141 ? 29.291 3.035   -19.284 1.00 27.99 ? 141 TRP A NE1 1 
ATOM   948  C  CE2 . TRP A 1 141 ? 28.341 2.421   -20.053 1.00 25.94 ? 141 TRP A CE2 1 
ATOM   949  C  CE3 . TRP A 1 141 ? 26.196 2.970   -21.022 1.00 27.76 ? 141 TRP A CE3 1 
ATOM   950  C  CZ2 . TRP A 1 141 ? 28.296 1.126   -20.569 1.00 28.55 ? 141 TRP A CZ2 1 
ATOM   951  C  CZ3 . TRP A 1 141 ? 26.154 1.688   -21.544 1.00 27.95 ? 141 TRP A CZ3 1 
ATOM   952  C  CH2 . TRP A 1 141 ? 27.197 0.782   -21.313 1.00 30.54 ? 141 TRP A CH2 1 
ATOM   953  N  N   . ILE A 1 142 ? 26.280 8.877   -20.959 1.00 25.44 ? 142 ILE A N   1 
ATOM   954  C  CA  . ILE A 1 142 ? 25.296 9.911   -21.249 1.00 27.79 ? 142 ILE A CA  1 
ATOM   955  C  C   . ILE A 1 142 ? 25.695 10.747  -22.456 1.00 29.78 ? 142 ILE A C   1 
ATOM   956  O  O   . ILE A 1 142 ? 25.027 11.740  -22.759 1.00 24.40 ? 142 ILE A O   1 
ATOM   957  C  CB  . ILE A 1 142 ? 25.029 10.812  -20.032 1.00 24.30 ? 142 ILE A CB  1 
ATOM   958  C  CG1 . ILE A 1 142 ? 26.297 11.560  -19.630 1.00 26.42 ? 142 ILE A CG1 1 
ATOM   959  C  CG2 . ILE A 1 142 ? 24.459 9.995   -18.868 1.00 25.60 ? 142 ILE A CG2 1 
ATOM   960  C  CD1 . ILE A 1 142 ? 26.060 12.681  -18.625 1.00 30.84 ? 142 ILE A CD1 1 
ATOM   961  N  N   . ARG A 1 143 ? 26.774 10.383  -23.149 1.00 26.28 ? 143 ARG A N   1 
ATOM   962  C  CA  . ARG A 1 143 ? 27.161 11.129  -24.339 1.00 28.21 ? 143 ARG A CA  1 
ATOM   963  C  C   . ARG A 1 143 ? 26.072 11.029  -25.399 1.00 30.54 ? 143 ARG A C   1 
ATOM   964  O  O   . ARG A 1 143 ? 25.396 10.004  -25.525 1.00 25.91 ? 143 ARG A O   1 
ATOM   965  C  CB  . ARG A 1 143 ? 28.489 10.620  -24.902 1.00 34.78 ? 143 ARG A CB  1 
ATOM   966  C  CG  . ARG A 1 143 ? 29.664 11.490  -24.508 1.00 36.17 ? 143 ARG A CG  1 
ATOM   967  C  CD  . ARG A 1 143 ? 30.789 11.467  -25.533 1.00 32.96 ? 143 ARG A CD  1 
ATOM   968  N  NE  . ARG A 1 143 ? 31.574 10.237  -25.523 1.00 40.12 ? 143 ARG A NE  1 
ATOM   969  C  CZ  . ARG A 1 143 ? 32.458 9.904   -24.589 1.00 35.90 ? 143 ARG A CZ  1 
ATOM   970  N  NH1 . ARG A 1 143 ? 32.631 10.636  -23.498 1.00 31.25 ? 143 ARG A NH1 1 
ATOM   971  N  NH2 . ARG A 1 143 ? 33.182 8.800   -24.748 1.00 39.15 ? 143 ARG A NH2 1 
ATOM   972  N  N   . GLY A 1 144 ? 25.884 12.119  -26.141 1.00 33.39 ? 144 GLY A N   1 
ATOM   973  C  CA  . GLY A 1 144 ? 24.865 12.162  -27.170 1.00 28.22 ? 144 GLY A CA  1 
ATOM   974  C  C   . GLY A 1 144 ? 23.434 12.211  -26.683 1.00 28.00 ? 144 GLY A C   1 
ATOM   975  O  O   . GLY A 1 144 ? 22.515 12.035  -27.491 1.00 34.93 ? 144 GLY A O   1 
ATOM   976  N  N   . CYS A 1 145 ? 23.206 12.422  -25.394 1.00 27.53 ? 145 CYS A N   1 
ATOM   977  C  CA  . CYS A 1 145 ? 21.859 12.492  -24.848 1.00 25.34 ? 145 CYS A CA  1 
ATOM   978  C  C   . CYS A 1 145 ? 21.437 13.945  -24.701 1.00 32.50 ? 145 CYS A C   1 
ATOM   979  O  O   . CYS A 1 145 ? 22.248 14.820  -24.388 1.00 27.58 ? 145 CYS A O   1 
ATOM   980  C  CB  . CYS A 1 145 ? 21.755 11.798  -23.489 1.00 29.74 ? 145 CYS A CB  1 
ATOM   981  S  SG  . CYS A 1 145 ? 22.083 10.004  -23.479 1.00 31.17 ? 145 CYS A SG  1 
ATOM   982  N  N   . ARG A 1 146 ? 20.144 14.187  -24.908 1.00 33.17 ? 146 ARG A N   1 
ATOM   983  C  CA  . ARG A 1 146 ? 19.598 15.541  -24.916 1.00 33.56 ? 146 ARG A CA  1 
ATOM   984  C  C   . ARG A 1 146 ? 19.251 15.912  -23.477 1.00 37.03 ? 146 ARG A C   1 
ATOM   985  O  O   . ARG A 1 146 ? 18.152 15.639  -22.984 1.00 41.73 ? 146 ARG A O   1 
ATOM   986  C  CB  . ARG A 1 146 ? 18.400 15.606  -25.851 1.00 35.56 ? 146 ARG A CB  1 
ATOM   987  C  CG  . ARG A 1 146 ? 17.955 16.986  -26.213 1.00 31.00 ? 146 ARG A CG  1 
ATOM   988  C  CD  . ARG A 1 146 ? 17.608 17.079  -27.693 1.00 37.29 ? 146 ARG A CD  1 
ATOM   989  N  NE  . ARG A 1 146 ? 16.921 15.907  -28.229 1.00 36.23 ? 146 ARG A NE  1 
ATOM   990  C  CZ  . ARG A 1 146 ? 16.696 15.696  -29.524 1.00 35.97 ? 146 ARG A CZ  1 
ATOM   991  N  NH1 . ARG A 1 146 ? 17.125 16.546  -30.451 1.00 35.48 ? 146 ARG A NH1 1 
ATOM   992  N  NH2 . ARG A 1 146 ? 16.022 14.610  -29.898 1.00 39.03 ? 146 ARG A NH2 1 
ATOM   993  N  N   . LEU A 1 147 ? 20.216 16.513  -22.783 1.00 36.44 ? 147 LEU A N   1 
ATOM   994  C  CA  . LEU A 1 147 ? 20.053 16.850  -21.365 1.00 41.64 ? 147 LEU A CA  1 
ATOM   995  C  C   . LEU A 1 147 ? 20.551 18.269  -21.084 1.00 44.87 ? 147 LEU A C   1 
ATOM   996  O  O   . LEU A 1 147 ? 20.679 18.674  -19.922 1.00 46.54 ? 147 LEU A O   1 
ATOM   997  C  CB  . LEU A 1 147 ? 20.808 15.864  -20.459 1.00 36.79 ? 147 LEU A CB  1 
ATOM   998  C  CG  . LEU A 1 147 ? 20.766 14.341  -20.640 1.00 39.53 ? 147 LEU A CG  1 
ATOM   999  C  CD1 . LEU A 1 147 ? 21.795 13.706  -19.727 1.00 35.89 ? 147 LEU A CD1 1 
ATOM   1000 C  CD2 . LEU A 1 147 ? 19.387 13.742  -20.379 1.00 35.01 ? 147 LEU A CD2 1 
HETATM 1001 C  C1  . NDG B 2 .   ? 23.308 -5.880  -6.459  0.34 25.57 ? 201 NDG A C1  1 
HETATM 1002 C  C2  . NDG B 2 .   ? 23.299 -5.664  -4.939  0.34 25.40 ? 201 NDG A C2  1 
HETATM 1003 C  C3  . NDG B 2 .   ? 24.362 -6.459  -4.159  0.34 27.25 ? 201 NDG A C3  1 
HETATM 1004 C  C4  . NDG B 2 .   ? 25.447 -7.065  -5.069  0.34 26.32 ? 201 NDG A C4  1 
HETATM 1005 C  C5  . NDG B 2 .   ? 24.844 -7.804  -6.268  0.34 27.38 ? 201 NDG A C5  1 
HETATM 1006 C  C6  . NDG B 2 .   ? 24.542 -9.267  -5.953  0.34 26.99 ? 201 NDG A C6  1 
HETATM 1007 C  C7  . NDG B 2 .   ? 22.622 -3.625  -3.740  0.34 24.19 ? 201 NDG A C7  1 
HETATM 1008 C  C8  . NDG B 2 .   ? 22.942 -2.163  -3.534  0.34 22.12 ? 201 NDG A C8  1 
HETATM 1009 O  O5  . NDG B 2 .   ? 23.692 -7.168  -6.848  0.34 26.73 ? 201 NDG A O5  1 
HETATM 1010 O  O3  . NDG B 2 .   ? 23.671 -7.420  -3.394  0.34 29.66 ? 201 NDG A O3  1 
HETATM 1011 O  O4  . NDG B 2 .   ? 26.374 -6.065  -5.425  0.34 26.66 ? 201 NDG A O4  1 
HETATM 1012 O  O6  . NDG B 2 .   ? 24.062 -9.973  -7.072  0.34 28.98 ? 201 NDG A O6  1 
HETATM 1013 O  O7  . NDG B 2 .   ? 21.695 -4.172  -3.157  0.34 21.78 ? 201 NDG A O7  1 
HETATM 1014 N  N2  . NDG B 2 .   ? 23.428 -4.268  -4.608  0.34 23.77 ? 201 NDG A N2  1 
HETATM 1015 O  O1  . NDG B 2 .   ? 24.106 -4.875  -7.042  0.34 26.29 ? 201 NDG A O1  1 
HETATM 1016 CL CL  . CL  C 3 .   ? 31.529 8.472   -1.862  1.00 24.59 ? 202 CL  A CL  1 
HETATM 1017 CL CL  . CL  D 3 .   ? 28.815 11.543  -16.176 1.00 29.43 ? 203 CL  A CL  1 
HETATM 1018 CL CL  . CL  E 3 .   ? 11.267 -11.384 4.531   1.00 30.42 ? 204 CL  A CL  1 
HETATM 1019 CL CL  . CL  F 3 .   ? 10.275 6.898   -14.689 1.00 37.67 ? 205 CL  A CL  1 
HETATM 1020 NA NA  . NA  G 4 .   ? 13.955 -7.606  3.359   1.00 23.69 ? 206 NA  A NA  1 
HETATM 1021 O  O   . HOH H 5 .   ? 23.787 -6.584  -3.609  0.66 29.52 ? 301 HOH A O   1 
HETATM 1022 O  O   . HOH H 5 .   ? 25.386 -5.612  -5.805  0.66 23.64 ? 302 HOH A O   1 
HETATM 1023 O  O   . HOH H 5 .   ? 20.981 -3.249  -2.788  0.66 20.83 ? 303 HOH A O   1 
HETATM 1024 O  O   . HOH H 5 .   ? 22.780 -4.943  -6.633  0.66 24.42 ? 304 HOH A O   1 
HETATM 1025 O  O   . HOH H 5 .   ? 22.073 -5.404  -4.849  0.66 23.89 ? 305 HOH A O   1 
HETATM 1026 O  O   . HOH H 5 .   ? 23.834 -9.198  -4.208  0.66 30.35 ? 306 HOH A O   1 
HETATM 1027 O  O   . HOH H 5 .   ? 23.015 -2.157  -4.405  0.66 22.63 ? 307 HOH A O   1 
HETATM 1028 O  O   . HOH H 5 .   ? 14.311 11.330  -4.600  1.00 33.39 ? 308 HOH A O   1 
HETATM 1029 O  O   . HOH H 5 .   ? 25.058 -11.869 -7.878  1.00 36.68 ? 309 HOH A O   1 
HETATM 1030 O  O   . HOH H 5 .   ? 13.263 -0.894  -11.287 1.00 22.20 ? 310 HOH A O   1 
HETATM 1031 O  O   . HOH H 5 .   ? 40.445 3.372   -14.319 1.00 33.65 ? 311 HOH A O   1 
HETATM 1032 O  O   . HOH H 5 .   ? 26.183 -5.553  -7.941  1.00 24.31 ? 312 HOH A O   1 
HETATM 1033 O  O   . HOH H 5 .   ? 20.648 -15.059 -11.814 1.00 29.42 ? 313 HOH A O   1 
HETATM 1034 O  O   . HOH H 5 .   ? 37.315 -4.016  -4.967  1.00 47.47 ? 314 HOH A O   1 
HETATM 1035 O  O   . HOH H 5 .   ? 15.459 8.080   -0.196  1.00 37.64 ? 315 HOH A O   1 
HETATM 1036 O  O   . HOH H 5 .   ? 21.582 5.558   4.111   1.00 34.68 ? 316 HOH A O   1 
HETATM 1037 O  O   . HOH H 5 .   ? 11.685 0.644   -11.677 1.00 22.95 ? 317 HOH A O   1 
HETATM 1038 O  O   . HOH H 5 .   ? 9.128  -9.392  6.337   1.00 31.12 ? 318 HOH A O   1 
HETATM 1039 O  O   . HOH H 5 .   ? 18.274 -0.321  -23.745 1.00 24.54 ? 319 HOH A O   1 
HETATM 1040 O  O   . HOH H 5 .   ? 18.067 12.767  -0.315  1.00 26.62 ? 320 HOH A O   1 
HETATM 1041 O  O   . HOH H 5 .   ? 14.642 -13.484 -1.749  1.00 18.73 ? 321 HOH A O   1 
HETATM 1042 O  O   . HOH H 5 .   ? 11.934 3.762   -2.477  1.00 29.59 ? 322 HOH A O   1 
HETATM 1043 O  O   . HOH H 5 .   ? 12.939 -10.965 -13.438 1.00 19.61 ? 323 HOH A O   1 
HETATM 1044 O  O   . HOH H 5 .   ? 24.823 -7.578  -10.336 1.00 31.30 ? 324 HOH A O   1 
HETATM 1045 O  O   . HOH H 5 .   ? 12.949 0.932   8.366   1.00 42.46 ? 325 HOH A O   1 
HETATM 1046 O  O   . HOH H 5 .   ? 15.544 14.924  -17.271 1.00 21.26 ? 326 HOH A O   1 
HETATM 1047 O  O   . HOH H 5 .   ? 33.094 -1.720  -18.183 1.00 25.16 ? 327 HOH A O   1 
HETATM 1048 O  O   . HOH H 5 .   ? 32.009 14.486  -7.541  1.00 25.34 ? 328 HOH A O   1 
HETATM 1049 O  O   . HOH H 5 .   ? 10.684 -5.354  -18.917 1.00 21.39 ? 329 HOH A O   1 
HETATM 1050 O  O   . HOH H 5 .   ? 8.927  5.068   -17.250 1.00 28.92 ? 330 HOH A O   1 
HETATM 1051 O  O   . HOH H 5 .   ? 10.092 -1.181  7.676   1.00 40.02 ? 331 HOH A O   1 
HETATM 1052 O  O   . HOH H 5 .   ? 28.176 6.462   1.399   1.00 25.00 ? 332 HOH A O   1 
HETATM 1053 O  O   . HOH H 5 .   ? 38.231 3.246   -3.616  1.00 21.85 ? 333 HOH A O   1 
HETATM 1054 O  O   . HOH H 5 .   ? 33.358 6.815   -11.256 1.00 29.72 ? 334 HOH A O   1 
HETATM 1055 O  O   . HOH H 5 .   ? 19.102 -2.876  -22.694 1.00 26.67 ? 335 HOH A O   1 
HETATM 1056 O  O   . HOH H 5 .   ? 16.329 -1.188  -8.640  1.00 18.42 ? 336 HOH A O   1 
HETATM 1057 O  O   . HOH H 5 .   ? 26.814 2.635   0.335   1.00 26.43 ? 337 HOH A O   1 
HETATM 1058 O  O   . HOH H 5 .   ? 11.329 1.921   -23.164 1.00 37.02 ? 338 HOH A O   1 
HETATM 1059 O  O   . HOH H 5 .   ? 25.504 -7.503  -12.720 1.00 19.83 ? 339 HOH A O   1 
HETATM 1060 O  O   . HOH H 5 .   ? 13.935 -20.339 -2.371  1.00 29.32 ? 340 HOH A O   1 
HETATM 1061 O  O   . HOH H 5 .   ? 31.326 10.788  -4.151  1.00 22.41 ? 341 HOH A O   1 
HETATM 1062 O  O   . HOH H 5 .   ? 22.228 -8.524  -9.538  1.00 27.92 ? 342 HOH A O   1 
HETATM 1063 O  O   . HOH H 5 .   ? 22.959 -3.939  -0.626  1.00 31.04 ? 343 HOH A O   1 
HETATM 1064 O  O   . HOH H 5 .   ? 19.933 -12.659 -12.927 1.00 26.31 ? 344 HOH A O   1 
HETATM 1065 O  O   . HOH H 5 .   ? 5.361  -3.519  -9.593  1.00 28.98 ? 345 HOH A O   1 
HETATM 1066 O  O   . HOH H 5 .   ? 33.884 10.221  -17.401 1.00 27.81 ? 346 HOH A O   1 
HETATM 1067 O  O   . HOH H 5 .   ? 22.549 -10.331 0.210   1.00 29.83 ? 347 HOH A O   1 
HETATM 1068 O  O   . HOH H 5 .   ? 6.808  1.671   -7.540  1.00 23.18 ? 348 HOH A O   1 
HETATM 1069 O  O   . HOH H 5 .   ? 8.210  3.681   -8.492  1.00 21.75 ? 349 HOH A O   1 
HETATM 1070 O  O   . HOH H 5 .   ? 10.092 -2.152  -22.807 1.00 27.20 ? 350 HOH A O   1 
HETATM 1071 O  O   . HOH H 5 .   ? 12.623 -9.442  2.468   1.00 22.29 ? 351 HOH A O   1 
HETATM 1072 O  O   . HOH H 5 .   ? 4.497  -2.856  -5.954  1.00 26.66 ? 352 HOH A O   1 
HETATM 1073 O  O   . HOH H 5 .   ? 18.132 -15.362 -10.546 1.00 25.94 ? 353 HOH A O   1 
HETATM 1074 O  O   . HOH H 5 .   ? 9.715  -18.156 -3.399  1.00 27.35 ? 354 HOH A O   1 
HETATM 1075 O  O   . HOH H 5 .   ? 15.540 -14.480 -10.534 1.00 25.09 ? 355 HOH A O   1 
HETATM 1076 O  O   . HOH H 5 .   ? 12.462 -12.462 9.379   0.50 30.66 ? 356 HOH A O   1 
HETATM 1077 O  O   . HOH H 5 .   ? 27.462 -7.786  -19.780 1.00 20.37 ? 357 HOH A O   1 
HETATM 1078 O  O   . HOH H 5 .   ? 11.984 -7.533  4.774   1.00 21.65 ? 358 HOH A O   1 
HETATM 1079 O  O   . HOH H 5 .   ? 38.267 -0.070  -6.073  1.00 25.18 ? 359 HOH A O   1 
HETATM 1080 O  O   . HOH H 5 .   ? 17.656 -8.100  -17.135 1.00 29.02 ? 360 HOH A O   1 
HETATM 1081 O  O   . HOH H 5 .   ? 16.730 -19.522 -2.192  1.00 27.10 ? 361 HOH A O   1 
HETATM 1082 O  O   . HOH H 5 .   ? 19.739 -10.102 -12.520 1.00 30.97 ? 362 HOH A O   1 
HETATM 1083 O  O   . HOH H 5 .   ? 16.877 -7.486  -19.791 1.00 30.66 ? 363 HOH A O   1 
HETATM 1084 O  O   . HOH H 5 .   ? 11.052 1.516   -9.221  1.00 17.47 ? 364 HOH A O   1 
HETATM 1085 O  O   . HOH H 5 .   ? 24.230 -5.786  -19.238 1.00 29.95 ? 365 HOH A O   1 
HETATM 1086 O  O   . HOH H 5 .   ? 19.436 6.041   -26.090 1.00 28.61 ? 366 HOH A O   1 
HETATM 1087 O  O   . HOH H 5 .   ? 10.293 7.688   -19.419 1.00 32.18 ? 367 HOH A O   1 
HETATM 1088 O  O   . HOH H 5 .   ? 32.456 -4.255  -18.448 1.00 25.35 ? 368 HOH A O   1 
HETATM 1089 O  O   . HOH H 5 .   ? 32.886 10.064  -12.425 1.00 23.07 ? 369 HOH A O   1 
HETATM 1090 O  O   . HOH H 5 .   ? 35.126 7.345   -13.015 1.00 26.02 ? 370 HOH A O   1 
HETATM 1091 O  O   . HOH H 5 .   ? 16.839 6.448   -25.315 1.00 25.93 ? 371 HOH A O   1 
HETATM 1092 O  O   . HOH H 5 .   ? 5.491  -10.328 3.094   1.00 17.81 ? 372 HOH A O   1 
HETATM 1093 O  O   . HOH H 5 .   ? 23.541 14.632  -2.170  1.00 27.04 ? 373 HOH A O   1 
HETATM 1094 O  O   . HOH H 5 .   ? 6.643  -2.604  2.821   1.00 23.42 ? 374 HOH A O   1 
HETATM 1095 O  O   . HOH H 5 .   ? 37.457 3.787   -19.910 1.00 32.40 ? 375 HOH A O   1 
HETATM 1096 O  O   . HOH H 5 .   ? 5.904  -4.904  2.336   1.00 20.90 ? 376 HOH A O   1 
HETATM 1097 O  O   . HOH H 5 .   ? 17.069 14.560  -3.379  1.00 25.86 ? 377 HOH A O   1 
HETATM 1098 O  O   . HOH H 5 .   ? 8.495  -5.154  6.281   1.00 27.19 ? 378 HOH A O   1 
HETATM 1099 O  O   . HOH H 5 .   ? 23.607 -11.512 -1.457  1.00 32.90 ? 379 HOH A O   1 
HETATM 1100 O  O   . HOH H 5 .   ? 12.278 -10.449 7.526   1.00 31.78 ? 380 HOH A O   1 
HETATM 1101 O  O   . HOH H 5 .   ? 23.365 -1.812  5.901   1.00 34.57 ? 381 HOH A O   1 
HETATM 1102 O  O   . HOH H 5 .   ? 11.584 -6.806  7.050   1.00 32.62 ? 382 HOH A O   1 
HETATM 1103 O  O   . HOH H 5 .   ? 23.050 13.410  -0.102  1.00 38.14 ? 383 HOH A O   1 
HETATM 1104 O  O   . HOH H 5 .   ? 26.243 -1.336  6.882   1.00 44.23 ? 384 HOH A O   1 
HETATM 1105 O  O   . HOH H 5 .   ? 24.782 -13.523 -1.461  1.00 27.77 ? 385 HOH A O   1 
HETATM 1106 O  O   . HOH H 5 .   ? 39.117 3.534   -10.112 1.00 29.04 ? 386 HOH A O   1 
HETATM 1107 O  O   . HOH H 5 .   ? 11.186 -13.701 6.389   1.00 31.54 ? 387 HOH A O   1 
HETATM 1108 O  O   . HOH H 5 .   ? 20.074 17.566  -9.276  1.00 32.15 ? 388 HOH A O   1 
HETATM 1109 O  O   . HOH H 5 .   ? 24.398 -2.783  4.411   1.00 32.85 ? 389 HOH A O   1 
HETATM 1110 O  O   . HOH H 5 .   ? 28.401 3.780   -24.127 1.00 31.00 ? 390 HOH A O   1 
HETATM 1111 O  O   . HOH H 5 .   ? 9.553  5.113   -2.101  1.00 35.94 ? 391 HOH A O   1 
HETATM 1112 O  O   . HOH H 5 .   ? 35.225 10.518  -27.680 1.00 34.65 ? 392 HOH A O   1 
HETATM 1113 O  O   . HOH H 5 .   ? 23.386 0.982   -24.178 1.00 27.85 ? 393 HOH A O   1 
HETATM 1114 O  O   . HOH H 5 .   ? 6.166  -11.883 5.177   1.00 32.53 ? 394 HOH A O   1 
HETATM 1115 O  O   . HOH H 5 .   ? 5.920  1.092   -19.967 1.00 26.34 ? 395 HOH A O   1 
HETATM 1116 O  O   . HOH H 5 .   ? 37.468 8.104   -12.638 1.00 37.33 ? 396 HOH A O   1 
HETATM 1117 O  O   . HOH H 5 .   ? 19.909 7.438   4.696   1.00 36.25 ? 397 HOH A O   1 
HETATM 1118 O  O   . HOH H 5 .   ? 10.717 -8.475  9.745   1.00 43.04 ? 398 HOH A O   1 
HETATM 1119 O  O   . HOH H 5 .   ? 21.906 15.936  -4.163  1.00 35.27 ? 399 HOH A O   1 
HETATM 1120 O  O   . HOH H 5 .   ? 23.380 -1.488  8.076   1.00 39.92 ? 400 HOH A O   1 
HETATM 1121 O  O   . HOH H 5 .   ? 16.368 16.368  -18.758 0.50 38.38 ? 401 HOH A O   1 
HETATM 1122 O  O   . HOH H 5 .   ? 39.138 0.844   -8.839  1.00 31.46 ? 402 HOH A O   1 
HETATM 1123 O  O   . HOH H 5 .   ? 4.915  0.836   -2.382  1.00 33.89 ? 403 HOH A O   1 
HETATM 1124 O  O   . HOH H 5 .   ? 3.363  -0.861  -4.031  1.00 32.22 ? 404 HOH A O   1 
HETATM 1125 O  O   . HOH H 5 .   ? 3.799  3.408   5.157   1.00 41.45 ? 405 HOH A O   1 
# 
