data_9FUE
# 
_entry.id   9FUE 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_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   9FUE         pdb_00009fue 10.2210/pdb9fue/pdb 
WWPDB D_1292139734 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-01-22 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9FUE 
_pdbx_database_status.recvd_initial_deposition_date   2024-06-26 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB 'Same citation'                              9FTU unspecified 
PDB 'Same citation'                              9FTS unspecified 
PDB 'Same citation'                              9FTV unspecified 
PDB 'Same citation'                              9FTX unspecified 
PDB 'Same citation'                              9FTY unspecified 
PDB 'Same citation'                              9FU1 unspecified 
PDB 'Same citation - apo form of this structure' 9FUD unspecified 
# 
_pdbx_contact_author.id                 5 
_pdbx_contact_author.email              daniele.de_sanctis@esrf.fr 
_pdbx_contact_author.name_first         Daniele 
_pdbx_contact_author.name_last          'de Sanctis' 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-0391-8290 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Orlans, J.'     1 0000-0002-6933-2287 
'Rose, S.L.'     2 0000-0003-4824-4066 
'Basu, S.'       3 0000-0001-6484-8236 
'de Sanctis, D.' 4 0000-0003-0391-8290 
# 
_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            'Commun Chem' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2399-3669 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            8 
_citation.language                  ? 
_citation.page_first                6 
_citation.page_last                 6 
_citation.title                     
'Advancing macromolecular structure determination with microsecond X-ray pulses at a 4th generation synchrotron.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s42004-024-01404-y 
_citation.pdbx_database_id_PubMed   39775172 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Orlans, J.'        1  ?                   
primary 'Rose, S.L.'        2  0000-0003-4824-4066 
primary 'Ferguson, G.'      3  0000-0003-2551-5994 
primary 'Oscarsson, M.'     4  ?                   
primary 'Homs Puron, A.'    5  ?                   
primary 'Beteva, A.'        6  ?                   
primary 'Debionne, S.'      7  ?                   
primary 'Theveneau, P.'     8  ?                   
primary 'Coquelle, N.'      9  ?                   
primary 'Kieffer, J.'       10 0000-0002-0730-6577 
primary 'Busca, P.'         11 ?                   
primary 'Sinoir, J.'        12 ?                   
primary 'Armijo, V.'        13 0009-0006-3243-8391 
primary 'Lopez Marrero, M.' 14 ?                   
primary 'Felisaz, F.'       15 ?                   
primary 'Papp, G.'          16 0000-0002-5702-843X 
primary 'Gonzalez, H.'      17 ?                   
primary 'Caserotto, H.'     18 ?                   
primary 'Dobias, F.'        19 ?                   
primary 'Gigmes, J.'        20 ?                   
primary 'Lebon, G.'         21 0000-0003-1162-5148 
primary 'Basu, S.'          22 0000-0001-6484-8236 
primary 'de Sanctis, D.'    23 0000-0003-0391-8290 
# 
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     nat 'Lysozyme C'                              14331.160 1  3.2.1.17 ? ? ? 
2 non-polymer syn 'SODIUM ION'                              22.990    1  ?        ? ? ? 
3 non-polymer syn 'CHLORIDE ION'                            35.453    4  ?        ? ? ? 
4 non-polymer syn 2-acetamido-2-deoxy-alpha-D-glucopyranose 221.208   1  ?        ? ? ? 
5 water       nat water                                     18.015    41 ?        ? ? ? 
# 
_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       
;KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPC
SALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_entity_poly.pdbx_seq_one_letter_code_can   
;KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPC
SALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_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 'SODIUM ION'                              NA  
3 'CHLORIDE ION'                            CL  
4 2-acetamido-2-deoxy-alpha-D-glucopyranose NDG 
5 water                                     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   LYS n 
1 2   VAL n 
1 3   PHE n 
1 4   GLY n 
1 5   ARG n 
1 6   CYS n 
1 7   GLU n 
1 8   LEU n 
1 9   ALA n 
1 10  ALA n 
1 11  ALA n 
1 12  MET n 
1 13  LYS n 
1 14  ARG n 
1 15  HIS n 
1 16  GLY n 
1 17  LEU n 
1 18  ASP n 
1 19  ASN n 
1 20  TYR n 
1 21  ARG n 
1 22  GLY n 
1 23  TYR n 
1 24  SER n 
1 25  LEU n 
1 26  GLY n 
1 27  ASN n 
1 28  TRP n 
1 29  VAL n 
1 30  CYS n 
1 31  ALA n 
1 32  ALA n 
1 33  LYS n 
1 34  PHE n 
1 35  GLU n 
1 36  SER n 
1 37  ASN n 
1 38  PHE n 
1 39  ASN n 
1 40  THR n 
1 41  GLN n 
1 42  ALA n 
1 43  THR n 
1 44  ASN n 
1 45  ARG n 
1 46  ASN n 
1 47  THR n 
1 48  ASP n 
1 49  GLY n 
1 50  SER n 
1 51  THR n 
1 52  ASP n 
1 53  TYR n 
1 54  GLY n 
1 55  ILE n 
1 56  LEU n 
1 57  GLN n 
1 58  ILE n 
1 59  ASN n 
1 60  SER n 
1 61  ARG n 
1 62  TRP n 
1 63  TRP n 
1 64  CYS n 
1 65  ASN n 
1 66  ASP n 
1 67  GLY n 
1 68  ARG n 
1 69  THR n 
1 70  PRO n 
1 71  GLY n 
1 72  SER n 
1 73  ARG n 
1 74  ASN n 
1 75  LEU n 
1 76  CYS n 
1 77  ASN n 
1 78  ILE n 
1 79  PRO n 
1 80  CYS n 
1 81  SER n 
1 82  ALA n 
1 83  LEU n 
1 84  LEU n 
1 85  SER n 
1 86  SER n 
1 87  ASP n 
1 88  ILE n 
1 89  THR n 
1 90  ALA n 
1 91  SER n 
1 92  VAL n 
1 93  ASN n 
1 94  CYS n 
1 95  ALA n 
1 96  LYS n 
1 97  LYS n 
1 98  ILE n 
1 99  VAL n 
1 100 SER n 
1 101 ASP n 
1 102 GLY n 
1 103 ASN n 
1 104 GLY n 
1 105 MET n 
1 106 ASN n 
1 107 ALA n 
1 108 TRP n 
1 109 VAL n 
1 110 ALA n 
1 111 TRP n 
1 112 ARG n 
1 113 ASN n 
1 114 ARG n 
1 115 CYS n 
1 116 LYS n 
1 117 GLY n 
1 118 THR n 
1 119 ASP n 
1 120 VAL n 
1 121 GLN n 
1 122 ALA n 
1 123 TRP n 
1 124 ILE n 
1 125 ARG n 
1 126 GLY n 
1 127 CYS n 
1 128 ARG n 
1 129 LEU n 
# 
_entity_src_nat.entity_id                  1 
_entity_src_nat.pdbx_src_id                1 
_entity_src_nat.pdbx_alt_source_flag       sample 
_entity_src_nat.pdbx_beg_seq_num           1 
_entity_src_nat.pdbx_end_seq_num           129 
_entity_src_nat.common_name                chicken 
_entity_src_nat.pdbx_organism_scientific   'Gallus gallus' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      9031 
_entity_src_nat.genus                      ? 
_entity_src_nat.species                    ? 
_entity_src_nat.strain                     ? 
_entity_src_nat.tissue                     ? 
_entity_src_nat.tissue_fraction            ? 
_entity_src_nat.pdbx_secretion             ? 
_entity_src_nat.pdbx_fragment              ? 
_entity_src_nat.pdbx_variant               ? 
_entity_src_nat.pdbx_cell_line             ? 
_entity_src_nat.pdbx_atcc                  ? 
_entity_src_nat.pdbx_cellular_location     ? 
_entity_src_nat.pdbx_organ                 ? 
_entity_src_nat.pdbx_organelle             ? 
_entity_src_nat.pdbx_cell                  ? 
_entity_src_nat.pdbx_plasmid_name          ? 
_entity_src_nat.pdbx_plasmid_details       ? 
_entity_src_nat.details                    ? 
# 
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   LYS 1   19  19  LYS LYS A . n 
A 1 2   VAL 2   20  20  VAL VAL A . n 
A 1 3   PHE 3   21  21  PHE PHE A . n 
A 1 4   GLY 4   22  22  GLY GLY A . n 
A 1 5   ARG 5   23  23  ARG ARG A . n 
A 1 6   CYS 6   24  24  CYS CYS A . n 
A 1 7   GLU 7   25  25  GLU GLU A . n 
A 1 8   LEU 8   26  26  LEU LEU A . n 
A 1 9   ALA 9   27  27  ALA ALA A . n 
A 1 10  ALA 10  28  28  ALA ALA A . n 
A 1 11  ALA 11  29  29  ALA ALA A . n 
A 1 12  MET 12  30  30  MET MET A . n 
A 1 13  LYS 13  31  31  LYS LYS A . n 
A 1 14  ARG 14  32  32  ARG ARG A . n 
A 1 15  HIS 15  33  33  HIS HIS A . n 
A 1 16  GLY 16  34  34  GLY GLY A . n 
A 1 17  LEU 17  35  35  LEU LEU A . n 
A 1 18  ASP 18  36  36  ASP ASP A . n 
A 1 19  ASN 19  37  37  ASN ASN A . n 
A 1 20  TYR 20  38  38  TYR TYR A . n 
A 1 21  ARG 21  39  39  ARG ARG A . n 
A 1 22  GLY 22  40  40  GLY GLY A . n 
A 1 23  TYR 23  41  41  TYR TYR A . n 
A 1 24  SER 24  42  42  SER SER A . n 
A 1 25  LEU 25  43  43  LEU LEU A . n 
A 1 26  GLY 26  44  44  GLY GLY A . n 
A 1 27  ASN 27  45  45  ASN ASN A . n 
A 1 28  TRP 28  46  46  TRP TRP A . n 
A 1 29  VAL 29  47  47  VAL VAL A . n 
A 1 30  CYS 30  48  48  CYS CYS A . n 
A 1 31  ALA 31  49  49  ALA ALA A . n 
A 1 32  ALA 32  50  50  ALA ALA A . n 
A 1 33  LYS 33  51  51  LYS LYS A . n 
A 1 34  PHE 34  52  52  PHE PHE A . n 
A 1 35  GLU 35  53  53  GLU GLU A . n 
A 1 36  SER 36  54  54  SER SER A . n 
A 1 37  ASN 37  55  55  ASN ASN A . n 
A 1 38  PHE 38  56  56  PHE PHE A . n 
A 1 39  ASN 39  57  57  ASN ASN A . n 
A 1 40  THR 40  58  58  THR THR A . n 
A 1 41  GLN 41  59  59  GLN GLN A . n 
A 1 42  ALA 42  60  60  ALA ALA A . n 
A 1 43  THR 43  61  61  THR THR A . n 
A 1 44  ASN 44  62  62  ASN ASN A . n 
A 1 45  ARG 45  63  63  ARG ARG A . n 
A 1 46  ASN 46  64  64  ASN ASN A . n 
A 1 47  THR 47  65  65  THR THR A . n 
A 1 48  ASP 48  66  66  ASP ASP A . n 
A 1 49  GLY 49  67  67  GLY GLY A . n 
A 1 50  SER 50  68  68  SER SER A . n 
A 1 51  THR 51  69  69  THR THR A . n 
A 1 52  ASP 52  70  70  ASP ASP A . n 
A 1 53  TYR 53  71  71  TYR TYR A . n 
A 1 54  GLY 54  72  72  GLY GLY A . n 
A 1 55  ILE 55  73  73  ILE ILE A . n 
A 1 56  LEU 56  74  74  LEU LEU A . n 
A 1 57  GLN 57  75  75  GLN GLN A . n 
A 1 58  ILE 58  76  76  ILE ILE A . n 
A 1 59  ASN 59  77  77  ASN ASN A . n 
A 1 60  SER 60  78  78  SER SER A . n 
A 1 61  ARG 61  79  79  ARG ARG A . n 
A 1 62  TRP 62  80  80  TRP TRP A . n 
A 1 63  TRP 63  81  81  TRP TRP A . n 
A 1 64  CYS 64  82  82  CYS CYS A . n 
A 1 65  ASN 65  83  83  ASN ASN A . n 
A 1 66  ASP 66  84  84  ASP ASP A . n 
A 1 67  GLY 67  85  85  GLY GLY A . n 
A 1 68  ARG 68  86  86  ARG ARG A . n 
A 1 69  THR 69  87  87  THR THR A . n 
A 1 70  PRO 70  88  88  PRO PRO A . n 
A 1 71  GLY 71  89  89  GLY GLY A . n 
A 1 72  SER 72  90  90  SER SER A . n 
A 1 73  ARG 73  91  91  ARG ARG A . n 
A 1 74  ASN 74  92  92  ASN ASN A . n 
A 1 75  LEU 75  93  93  LEU LEU A . n 
A 1 76  CYS 76  94  94  CYS CYS A . n 
A 1 77  ASN 77  95  95  ASN ASN A . n 
A 1 78  ILE 78  96  96  ILE ILE A . n 
A 1 79  PRO 79  97  97  PRO PRO A . n 
A 1 80  CYS 80  98  98  CYS CYS A . n 
A 1 81  SER 81  99  99  SER SER A . n 
A 1 82  ALA 82  100 100 ALA ALA A . n 
A 1 83  LEU 83  101 101 LEU LEU A . n 
A 1 84  LEU 84  102 102 LEU LEU A . n 
A 1 85  SER 85  103 103 SER SER A . n 
A 1 86  SER 86  104 104 SER SER A . n 
A 1 87  ASP 87  105 105 ASP ASP A . n 
A 1 88  ILE 88  106 106 ILE ILE A . n 
A 1 89  THR 89  107 107 THR THR A . n 
A 1 90  ALA 90  108 108 ALA ALA A . n 
A 1 91  SER 91  109 109 SER SER A . n 
A 1 92  VAL 92  110 110 VAL VAL A . n 
A 1 93  ASN 93  111 111 ASN ASN A . n 
A 1 94  CYS 94  112 112 CYS CYS A . n 
A 1 95  ALA 95  113 113 ALA ALA A . n 
A 1 96  LYS 96  114 114 LYS LYS A . n 
A 1 97  LYS 97  115 115 LYS LYS A . n 
A 1 98  ILE 98  116 116 ILE ILE A . n 
A 1 99  VAL 99  117 117 VAL VAL A . n 
A 1 100 SER 100 118 118 SER SER A . n 
A 1 101 ASP 101 119 119 ASP ASP A . n 
A 1 102 GLY 102 120 120 GLY GLY A . n 
A 1 103 ASN 103 121 121 ASN ASN A . n 
A 1 104 GLY 104 122 122 GLY GLY A . n 
A 1 105 MET 105 123 123 MET MET A . n 
A 1 106 ASN 106 124 124 ASN ASN A . n 
A 1 107 ALA 107 125 125 ALA ALA A . n 
A 1 108 TRP 108 126 126 TRP TRP A . n 
A 1 109 VAL 109 127 127 VAL VAL A . n 
A 1 110 ALA 110 128 128 ALA ALA A . n 
A 1 111 TRP 111 129 129 TRP TRP A . n 
A 1 112 ARG 112 130 130 ARG ARG A . n 
A 1 113 ASN 113 131 131 ASN ASN A . n 
A 1 114 ARG 114 132 132 ARG ARG A . n 
A 1 115 CYS 115 133 133 CYS CYS A . n 
A 1 116 LYS 116 134 134 LYS LYS A . n 
A 1 117 GLY 117 135 135 GLY GLY A . n 
A 1 118 THR 118 136 136 THR THR A . n 
A 1 119 ASP 119 137 137 ASP ASP A . n 
A 1 120 VAL 120 138 138 VAL VAL A . n 
A 1 121 GLN 121 139 139 GLN GLN A . n 
A 1 122 ALA 122 140 140 ALA ALA A . n 
A 1 123 TRP 123 141 141 TRP TRP A . n 
A 1 124 ILE 124 142 142 ILE ILE A . n 
A 1 125 ARG 125 143 143 ARG ARG A . n 
A 1 126 GLY 126 144 144 GLY GLY A . n 
A 1 127 CYS 127 145 145 CYS CYS A . n 
A 1 128 ARG 128 146 146 ARG ARG A . n 
A 1 129 LEU 129 147 147 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 NA  1  201 201 NA  NA  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 NDG 1  206 206 NDG NDG A . 
H 5 HOH 1  301 33  HOH HOH A . 
H 5 HOH 2  302 14  HOH HOH A . 
H 5 HOH 3  303 22  HOH HOH A . 
H 5 HOH 4  304 110 HOH HOH A . 
H 5 HOH 5  305 8   HOH HOH A . 
H 5 HOH 6  306 139 HOH HOH A . 
H 5 HOH 7  307 17  HOH HOH A . 
H 5 HOH 8  308 124 HOH HOH A . 
H 5 HOH 9  309 92  HOH HOH A . 
H 5 HOH 10 310 66  HOH HOH A . 
H 5 HOH 11 311 40  HOH HOH A . 
H 5 HOH 12 312 19  HOH HOH A . 
H 5 HOH 13 313 5   HOH HOH A . 
H 5 HOH 14 314 49  HOH HOH A . 
H 5 HOH 15 315 30  HOH HOH A . 
H 5 HOH 16 316 56  HOH HOH A . 
H 5 HOH 17 317 7   HOH HOH A . 
H 5 HOH 18 318 73  HOH HOH A . 
H 5 HOH 19 319 141 HOH HOH A . 
H 5 HOH 20 320 129 HOH HOH A . 
H 5 HOH 21 321 10  HOH HOH A . 
H 5 HOH 22 322 6   HOH HOH A . 
H 5 HOH 23 323 18  HOH HOH A . 
H 5 HOH 24 324 100 HOH HOH A . 
H 5 HOH 25 325 79  HOH HOH A . 
H 5 HOH 26 326 29  HOH HOH A . 
H 5 HOH 27 327 50  HOH HOH A . 
H 5 HOH 28 328 142 HOH HOH A . 
H 5 HOH 29 329 2   HOH HOH A . 
H 5 HOH 30 330 4   HOH HOH A . 
H 5 HOH 31 331 21  HOH HOH A . 
H 5 HOH 32 332 23  HOH HOH A . 
H 5 HOH 33 333 9   HOH HOH A . 
H 5 HOH 34 334 74  HOH HOH A . 
H 5 HOH 35 335 155 HOH HOH A . 
H 5 HOH 36 336 68  HOH HOH A . 
H 5 HOH 37 337 96  HOH HOH A . 
H 5 HOH 38 338 81  HOH HOH A . 
H 5 HOH 39 339 108 HOH HOH A . 
H 5 HOH 40 340 131 HOH HOH A . 
H 5 HOH 41 341 97  HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A LYS 31  ? CG  ? A LYS 13  CG  
2  1 Y 1 A LYS 31  ? CD  ? A LYS 13  CD  
3  1 Y 1 A LYS 31  ? CE  ? A LYS 13  CE  
4  1 Y 1 A LYS 31  ? NZ  ? A LYS 13  NZ  
5  1 Y 1 A ARG 79  ? CG  ? A ARG 61  CG  
6  1 Y 1 A ARG 79  ? CD  ? A ARG 61  CD  
7  1 Y 1 A ARG 79  ? NE  ? A ARG 61  NE  
8  1 Y 1 A ARG 79  ? CZ  ? A ARG 61  CZ  
9  1 Y 1 A ARG 79  ? NH1 ? A ARG 61  NH1 
10 1 Y 1 A ARG 79  ? NH2 ? A ARG 61  NH2 
11 1 Y 1 A LYS 115 ? CG  ? A LYS 97  CG  
12 1 Y 1 A LYS 115 ? CD  ? A LYS 97  CD  
13 1 Y 1 A LYS 115 ? CE  ? A LYS 97  CE  
14 1 Y 1 A LYS 115 ? NZ  ? A LYS 97  NZ  
15 1 Y 1 A ARG 143 ? CG  ? A ARG 125 CG  
16 1 Y 1 A ARG 143 ? CD  ? A ARG 125 CD  
17 1 Y 1 A ARG 143 ? NE  ? A ARG 125 NE  
18 1 Y 1 A ARG 143 ? CZ  ? A ARG 125 CZ  
19 1 Y 1 A ARG 143 ? NH1 ? A ARG 125 NH1 
20 1 Y 1 A ARG 143 ? NH2 ? A ARG 125 NH2 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.21_5207 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? .         2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? CrystFEL ? ? ? .         3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .         4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9FUE 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     78.560 
_cell.length_a_esd                 ? 
_cell.length_b                     78.560 
_cell.length_b_esd                 ? 
_cell.length_c                     37.790 
_cell.length_c_esd                 ? 
_cell.volume                       233227.545 
_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                         9FUE 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                96 
_symmetry.space_group_name_Hall            'P 4nw 2abw' 
_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                   9FUE 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.03 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          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          'BATCH MODE' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              3 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '1 M sodium acetate pH 3.0, 20% (w/v) NaCl, 5% (w/v) PEG 6000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     293 
_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   Y 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'PSI JUNGFRAU 4M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-03-08 
_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   1.072 
_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                        'ESRF BEAMLINE ID29' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.072 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID29 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          44.24 
_reflns.entry_id                                       9FUE 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.05 
_reflns.d_resolution_low                               78.56 
_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                                     7877 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                123 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          4.64 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   0.9963 
_reflns.pdbx_R_split                                   0.1437 
_reflns.pdbx_Rmerge_I_obs                              ? 
_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                                    2.05 
_reflns_shell.d_res_low                                     2.08 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             365 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  0.4507 
_reflns_shell.pdbx_R_split                                  2.4936 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               47.84 
_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                                 9FUE 
_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                            2.05 
_refine.ls_d_res_low                             55.55 
_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                     7822 
_refine.ls_number_reflns_R_free                  783 
_refine.ls_number_reflns_R_work                  7039 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.72 
_refine.ls_percent_reflns_R_free                 10.01 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2127 
_refine.ls_R_factor_R_free                       0.2654 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2068 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.33 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 31.2122 
_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                            0.3446 
_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                       2.05 
_refine_hist.d_res_low                        55.55 
_refine_hist.number_atoms_solvent             41 
_refine_hist.number_atoms_total               1041 
_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        980 
_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' ? 0.0017  ? 1021 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.4829  ? 1388 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0415  ? 150  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0034  ? 181  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 14.1901 ? 374  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.05 2.18  . . 126 1130 98.28  . . . . 0.3296 . . . . . . . . . . . 0.3960 
'X-RAY DIFFRACTION' 2.18 2.35  . . 127 1146 100.00 . . . . 0.2938 . . . . . . . . . . . 0.3881 
'X-RAY DIFFRACTION' 2.35 2.58  . . 128 1150 100.00 . . . . 0.2681 . . . . . . . . . . . 0.3485 
'X-RAY DIFFRACTION' 2.58 2.96  . . 129 1161 100.00 . . . . 0.2507 . . . . . . . . . . . 0.3053 
'X-RAY DIFFRACTION' 2.96 3.72  . . 132 1192 100.00 . . . . 0.1842 . . . . . . . . . . . 0.2371 
'X-RAY DIFFRACTION' 3.73 55.55 . . 141 1260 100.00 . . . . 0.1718 . . . . . . . . . . . 0.2220 
# 
_struct.entry_id                     9FUE 
_struct.title                        
'Serial microseconds crystallography at ID29 using fixed-target (Si Chip): Lysozyme - with ligand GlcNAc' 
_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        9FUE 
_struct_keywords.text            
;Serial crystallography, serial microsecond crystallography, room temperature, ID29, ESRF-EBS, fixed-target, lysozyme, GlcNAc, 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   
;KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPC
SALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
;
_struct_ref.pdbx_align_begin           19 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9FUE 
_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                 129 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P00698 
_struct_ref_seq.db_align_beg                  19 
_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       19 
_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 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 1130 ? 
1 MORE         -46  ? 
1 'SSA (A^2)'  6290 ? 
# 
_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 4   ? HIS A 15  ? GLY A 22  HIS A 33  1 ? 12 
HELX_P HELX_P2 AA2 ASN A 19  ? TYR A 23  ? ASN A 37  TYR A 41  5 ? 5  
HELX_P HELX_P3 AA3 SER A 24  ? ASN A 37  ? SER A 42  ASN A 55  1 ? 14 
HELX_P HELX_P4 AA4 PRO A 79  ? SER A 85  ? PRO A 97  SER A 103 5 ? 7  
HELX_P HELX_P5 AA5 ILE A 88  ? VAL A 99  ? ILE A 106 VAL A 117 1 ? 12 
HELX_P HELX_P6 AA6 ASN A 103 ? ALA A 107 ? ASN A 121 ALA A 125 5 ? 5  
HELX_P HELX_P7 AA7 TRP A 108 ? CYS A 115 ? TRP A 126 CYS A 133 1 ? 8  
HELX_P HELX_P8 AA8 ASP A 119 ? ILE A 124 ? ASP A 137 ILE A 142 5 ? 6  
# 
_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 6  SG ? ? ? 1_555 A CYS 127 SG ? ? A CYS 24  A CYS 145 1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf2 disulf ? ? A CYS 30 SG ? ? ? 1_555 A CYS 115 SG ? ? A CYS 48  A CYS 133 1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 80  SG ? ? A CYS 82  A CYS 98  1_555 ? ? ? ? ? ? ? 2.031 ? ? 
disulf4 disulf ? ? A CYS 76 SG ? ? ? 1_555 A CYS 94  SG ? ? A CYS 94  A CYS 112 1_555 ? ? ? ? ? ? ? 2.032 ? ? 
metalc1 metalc ? ? A SER 60 O  ? ? ? 1_555 B NA  .   NA ? ? A SER 78  A NA  201 1_555 ? ? ? ? ? ? ? 2.343 ? ? 
metalc2 metalc ? ? A CYS 64 O  ? ? ? 1_555 B NA  .   NA ? ? A CYS 82  A NA  201 1_555 ? ? ? ? ? ? ? 2.412 ? ? 
metalc3 metalc ? ? A SER 72 OG ? ? ? 1_555 B NA  .   NA ? ? A SER 90  A NA  201 1_555 ? ? ? ? ? ? ? 2.567 ? ? 
metalc4 metalc ? ? A ARG 73 O  ? ? ? 1_555 B NA  .   NA ? ? A ARG 91  A NA  201 1_555 ? ? ? ? ? ? ? 2.506 ? ? 
metalc5 metalc ? ? B NA  .  NA ? ? ? 1_555 H HOH .   O  ? ? A NA  201 A HOH 313 1_555 ? ? ? ? ? ? ? 2.559 ? ? 
metalc6 metalc ? ? B NA  .  NA ? ? ? 1_555 H HOH .   O  ? ? A NA  201 A HOH 331 1_555 ? ? ? ? ? ? ? 2.689 ? ? 
# 
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 60 ? A SER 78  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A CYS 64 ? A CYS 82  ? 1_555 76.2  ? 
2  O  ? A SER 60 ? A SER 78  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 OG ? A SER 72 ? A SER 90  ? 1_555 92.0  ? 
3  O  ? A CYS 64 ? A CYS 82  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 OG ? A SER 72 ? A SER 90  ? 1_555 159.8 ? 
4  O  ? A SER 60 ? A SER 78  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A ARG 73 ? A ARG 91  ? 1_555 92.1  ? 
5  O  ? A CYS 64 ? A CYS 82  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A ARG 73 ? A ARG 91  ? 1_555 88.3  ? 
6  OG ? A SER 72 ? A SER 90  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A ARG 73 ? A ARG 91  ? 1_555 108.8 ? 
7  O  ? A SER 60 ? A SER 78  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? H HOH .  ? A HOH 313 ? 1_555 95.2  ? 
8  O  ? A CYS 64 ? A CYS 82  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? H HOH .  ? A HOH 313 ? 1_555 87.9  ? 
9  OG ? A SER 72 ? A SER 90  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? H HOH .  ? A HOH 313 ? 1_555 76.7  ? 
10 O  ? A ARG 73 ? A ARG 91  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? H HOH .  ? A HOH 313 ? 1_555 170.6 ? 
11 O  ? A SER 60 ? A SER 78  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? H HOH .  ? A HOH 331 ? 1_555 175.7 ? 
12 O  ? A CYS 64 ? A CYS 82  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? H HOH .  ? A HOH 331 ? 1_555 99.6  ? 
13 OG ? A SER 72 ? A SER 90  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? H HOH .  ? A HOH 331 ? 1_555 91.9  ? 
14 O  ? A ARG 73 ? A ARG 91  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? H HOH .  ? A HOH 331 ? 1_555 88.3  ? 
15 O  ? H HOH .  ? A HOH 313 ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? H HOH .  ? A HOH 331 ? 1_555 83.9  ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 6  ? CYS A 127 ? CYS A 24 ? 1_555 CYS A 145 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 30 ? CYS A 115 ? CYS A 48 ? 1_555 CYS A 133 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 64 ? CYS A 80  ? CYS A 82 ? 1_555 CYS A 98  ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 76 ? CYS A 94  ? 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 43 ? ARG A 45 ? THR A 61 ARG A 63 
AA1 2 THR A 51 ? TYR A 53 ? THR A 69 TYR A 71 
AA1 3 ILE A 58 ? ASN A 59 ? 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 44 ? N ASN A 62 O ASP A 52 ? O ASP A 70 
AA1 2 3 N TYR A 53 ? N TYR A 71 O ILE A 58 ? O ILE A 76 
# 
_pdbx_entry_details.entry_id                   9FUE 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    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             -132.84 
_pdbx_validate_torsion.psi             -39.63 
# 
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 329 ? H HOH . 
2 1 A HOH 333 ? H HOH . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z               
2 -y+1/2,x+1/2,z+3/4  
3 y+1/2,-x+1/2,z+1/4  
4 x+1/2,-y+1/2,-z+1/4 
5 -x+1/2,y+1/2,-z+3/4 
6 -x,-y,z+1/2         
7 y,x,-z              
8 -y,-x,-z+1/2        
# 
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   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   7BHK 
_pdbx_initial_refinement_model.details          ? 
# 
_pdbx_serial_crystallography_sample_delivery.diffrn_id     1 
_pdbx_serial_crystallography_sample_delivery.description   'Si chip' 
_pdbx_serial_crystallography_sample_delivery.method        'fixed target' 
# 
_space_group.name_H-M_alt     'P 43 21 2' 
_space_group.name_Hall        'P 4nw 2abw' 
_space_group.IT_number        96 
_space_group.crystal_system   tetragonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    9FUE 
_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]   0.012729 
_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]   0.012729 
_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]   0.026462 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C  ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
CL ? ? 9.50761 7.44341 ? ? 1.04373  23.83732 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N  ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
NA ? ? 9.38062 1.54875 ? ? 3.38349  72.32734 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O  ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S  ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . LYS A 1 1   ? 3.49734   9.88940  -8.88239  1.000 46.94182 ? 19  LYS A N   1 
ATOM   2    C  CA  . LYS A 1 1   ? 2.50481   10.26661 -9.88186  1.000 40.88615 ? 19  LYS A CA  1 
ATOM   3    C  C   . LYS A 1 1   ? 2.50165   11.77290 -10.11301 1.000 55.21142 ? 19  LYS A C   1 
ATOM   4    O  O   . LYS A 1 1   ? 2.45124   12.55504 -9.16312  1.000 49.27345 ? 19  LYS A O   1 
ATOM   5    C  CB  . LYS A 1 1   ? 1.10989   9.80268  -9.45790  1.000 44.22267 ? 19  LYS A CB  1 
ATOM   6    C  CG  . LYS A 1 1   ? 0.00103   10.23479 -10.40592 1.000 41.78739 ? 19  LYS A CG  1 
ATOM   7    C  CD  . LYS A 1 1   ? -1.37103  9.93596  -9.82524  1.000 49.45567 ? 19  LYS A CD  1 
ATOM   8    C  CE  . LYS A 1 1   ? -2.48058  10.41953 -10.74587 1.000 50.05448 ? 19  LYS A CE  1 
ATOM   9    N  NZ  . LYS A 1 1   ? -2.49967  9.68344  -12.04011 1.000 57.68282 ? 19  LYS A NZ  1 
ATOM   10   N  N   . VAL A 1 2   ? 2.55701   12.17375 -11.37865 1.000 48.95687 ? 20  VAL A N   1 
ATOM   11   C  CA  . VAL A 1 2   ? 2.49765   13.57782 -11.76648 1.000 48.28926 ? 20  VAL A CA  1 
ATOM   12   C  C   . VAL A 1 2   ? 1.06761   13.87229 -12.19888 1.000 51.84631 ? 20  VAL A C   1 
ATOM   13   O  O   . VAL A 1 2   ? 0.64212   13.47588 -13.28922 1.000 58.22187 ? 20  VAL A O   1 
ATOM   14   C  CB  . VAL A 1 2   ? 3.50073   13.90327 -12.88044 1.000 46.00069 ? 20  VAL A CB  1 
ATOM   15   C  CG1 . VAL A 1 2   ? 3.40392   15.37220 -13.26887 1.000 35.20944 ? 20  VAL A CG1 1 
ATOM   16   C  CG2 . VAL A 1 2   ? 4.91200   13.55750 -12.43417 1.000 49.69897 ? 20  VAL A CG2 1 
ATOM   17   N  N   . PHE A 1 3   ? 0.32355   14.56606 -11.34259 1.000 52.44772 ? 21  PHE A N   1 
ATOM   18   C  CA  . PHE A 1 3   ? -1.07263  14.86230 -11.62416 1.000 46.35140 ? 21  PHE A CA  1 
ATOM   19   C  C   . PHE A 1 3   ? -1.20724  15.88283 -12.74736 1.000 46.40139 ? 21  PHE A C   1 
ATOM   20   O  O   . PHE A 1 3   ? -0.33949  16.73504 -12.95574 1.000 42.50401 ? 21  PHE A O   1 
ATOM   21   C  CB  . PHE A 1 3   ? -1.76958  15.39852 -10.37357 1.000 49.32151 ? 21  PHE A CB  1 
ATOM   22   C  CG  . PHE A 1 3   ? -2.38961  14.33521 -9.51776  1.000 50.28605 ? 21  PHE A CG  1 
ATOM   23   C  CD1 . PHE A 1 3   ? -1.65663  13.71451 -8.52158  1.000 51.30653 ? 21  PHE A CD1 1 
ATOM   24   C  CD2 . PHE A 1 3   ? -3.71091  13.96333 -9.70311  1.000 47.50748 ? 21  PHE A CD2 1 
ATOM   25   C  CE1 . PHE A 1 3   ? -2.22703  12.73787 -7.72925  1.000 47.21906 ? 21  PHE A CE1 1 
ATOM   26   C  CE2 . PHE A 1 3   ? -4.28783  12.98692 -8.91412  1.000 47.14285 ? 21  PHE A CE2 1 
ATOM   27   C  CZ  . PHE A 1 3   ? -3.54444  12.37381 -7.92553  1.000 52.93890 ? 21  PHE A CZ  1 
ATOM   28   N  N   . GLY A 1 4   ? -2.31631  15.78291 -13.47944 1.000 59.05844 ? 22  GLY A N   1 
ATOM   29   C  CA  . GLY A 1 4   ? -2.72223  16.86368 -14.34625 1.000 44.22158 ? 22  GLY A CA  1 
ATOM   30   C  C   . GLY A 1 4   ? -3.44417  17.95024 -13.57363 1.000 46.08030 ? 22  GLY A C   1 
ATOM   31   O  O   . GLY A 1 4   ? -3.90290  17.74338 -12.45019 1.000 52.88937 ? 22  GLY A O   1 
ATOM   32   N  N   . ARG A 1 5   ? -3.53616  19.13216 -14.18681 1.000 39.21138 ? 23  ARG A N   1 
ATOM   33   C  CA  . ARG A 1 5   ? -4.16795  20.26174 -13.50945 1.000 39.60987 ? 23  ARG A CA  1 
ATOM   34   C  C   . ARG A 1 5   ? -5.61931  19.95370 -13.16411 1.000 52.12312 ? 23  ARG A C   1 
ATOM   35   O  O   . ARG A 1 5   ? -6.04724  20.12324 -12.01568 1.000 45.26335 ? 23  ARG A O   1 
ATOM   36   C  CB  . ARG A 1 5   ? -4.07500  21.51901 -14.37442 1.000 61.15783 ? 23  ARG A CB  1 
ATOM   37   C  CG  . ARG A 1 5   ? -4.74504  22.73057 -13.74256 1.000 53.01700 ? 23  ARG A CG  1 
ATOM   38   C  CD  . ARG A 1 5   ? -4.51613  23.99924 -14.54736 1.000 54.85720 ? 23  ARG A CD  1 
ATOM   39   N  NE  . ARG A 1 5   ? -4.93624  23.87201 -15.93780 1.000 52.59026 ? 23  ARG A NE  1 
ATOM   40   C  CZ  . ARG A 1 5   ? -6.15852  24.13630 -16.37885 1.000 67.90911 ? 23  ARG A CZ  1 
ATOM   41   N  NH1 . ARG A 1 5   ? -7.12499  24.50684 -15.55488 1.000 62.38962 ? 23  ARG A NH1 1 
ATOM   42   N  NH2 . ARG A 1 5   ? -6.41514  24.03483 -17.68011 1.000 49.17464 ? 23  ARG A NH2 1 
ATOM   43   N  N   . CYS A 1 6   ? -6.39380  19.48686 -14.14342 1.000 53.45324 ? 24  CYS A N   1 
ATOM   44   C  CA  . CYS A 1 6   ? -7.79415  19.18001 -13.88061 1.000 48.20397 ? 24  CYS A CA  1 
ATOM   45   C  C   . CYS A 1 6   ? -7.95119  17.86784 -13.12595 1.000 39.46061 ? 24  CYS A C   1 
ATOM   46   O  O   . CYS A 1 6   ? -8.90549  17.70868 -12.35677 1.000 48.17835 ? 24  CYS A O   1 
ATOM   47   C  CB  . CYS A 1 6   ? -8.57851  19.13810 -15.19012 1.000 41.35391 ? 24  CYS A CB  1 
ATOM   48   S  SG  . CYS A 1 6   ? -8.73284  20.73889 -16.01030 1.000 51.97115 ? 24  CYS A SG  1 
ATOM   49   N  N   . GLU A 1 7   ? -7.03077  16.92263 -13.32802 1.000 42.03059 ? 25  GLU A N   1 
ATOM   50   C  CA  . GLU A 1 7   ? -7.10986  15.65252 -12.61417 1.000 45.78765 ? 25  GLU A CA  1 
ATOM   51   C  C   . GLU A 1 7   ? -6.94385  15.85228 -11.11334 1.000 44.69188 ? 25  GLU A C   1 
ATOM   52   O  O   . GLU A 1 7   ? -7.65382  15.23090 -10.31347 1.000 39.57205 ? 25  GLU A O   1 
ATOM   53   C  CB  . GLU A 1 7   ? -6.05148  14.68728 -13.14473 1.000 44.47623 ? 25  GLU A CB  1 
ATOM   54   C  CG  . GLU A 1 7   ? -6.08416  13.31594 -12.49763 1.000 46.44638 ? 25  GLU A CG  1 
ATOM   55   C  CD  . GLU A 1 7   ? -4.94987  12.42645 -12.96508 1.000 61.91936 ? 25  GLU A CD  1 
ATOM   56   O  OE1 . GLU A 1 7   ? -4.00392  12.94704 -13.59362 1.000 54.31621 ? 25  GLU A OE1 1 
ATOM   57   O  OE2 . GLU A 1 7   ? -5.00501  11.20617 -12.70466 1.000 65.73455 ? 25  GLU A OE2 1 
ATOM   58   N  N   . LEU A 1 8   ? -6.01009  16.71756 -10.71169 1.000 44.03716 ? 26  LEU A N   1 
ATOM   59   C  CA  . LEU A 1 8   ? -5.81354  16.98548 -9.29098  1.000 37.64008 ? 26  LEU A CA  1 
ATOM   60   C  C   . LEU A 1 8   ? -6.98150  17.77209 -8.70944  1.000 40.84508 ? 26  LEU A C   1 
ATOM   61   O  O   . LEU A 1 8   ? -7.38541  17.53877 -7.56377  1.000 43.52862 ? 26  LEU A O   1 
ATOM   62   C  CB  . LEU A 1 8   ? -4.50158  17.73946 -9.07673  1.000 34.68356 ? 26  LEU A CB  1 
ATOM   63   C  CG  . LEU A 1 8   ? -4.19451  18.16076 -7.63850  1.000 46.20045 ? 26  LEU A CG  1 
ATOM   64   C  CD1 . LEU A 1 8   ? -3.94537  16.94287 -6.76064  1.000 41.90135 ? 26  LEU A CD1 1 
ATOM   65   C  CD2 . LEU A 1 8   ? -3.00919  19.11074 -7.59842  1.000 44.69562 ? 26  LEU A CD2 1 
ATOM   66   N  N   . ALA A 1 9   ? -7.53503  18.70927 -9.48388  1.000 39.03494 ? 27  ALA A N   1 
ATOM   67   C  CA  . ALA A 1 9   ? -8.64194  19.52159 -8.99001  1.000 38.16966 ? 27  ALA A CA  1 
ATOM   68   C  C   . ALA A 1 9   ? -9.86009  18.66395 -8.67354  1.000 45.19328 ? 27  ALA A C   1 
ATOM   69   O  O   . ALA A 1 9   ? -10.55641 18.90380 -7.68060  1.000 41.01658 ? 27  ALA A O   1 
ATOM   70   C  CB  . ALA A 1 9   ? -8.99592  20.60293 -10.01085 1.000 40.12268 ? 27  ALA A CB  1 
ATOM   71   N  N   . ALA A 1 10  ? -10.13179 17.65503 -9.50468  1.000 54.63807 ? 28  ALA A N   1 
ATOM   72   C  CA  . ALA A 1 10  ? -11.26477 16.77370 -9.24420  1.000 43.68530 ? 28  ALA A CA  1 
ATOM   73   C  C   . ALA A 1 10  ? -10.99930 15.87177 -8.04577  1.000 43.37117 ? 28  ALA A C   1 
ATOM   74   O  O   . ALA A 1 10  ? -11.90153 15.62242 -7.23796  1.000 50.15447 ? 28  ALA A O   1 
ATOM   75   C  CB  . ALA A 1 10  ? -11.58005 15.94156 -10.48571 1.000 39.39904 ? 28  ALA A CB  1 
ATOM   76   N  N   . ALA A 1 11  ? -9.76815  15.37075 -7.91460  1.000 39.69677 ? 29  ALA A N   1 
ATOM   77   C  CA  . ALA A 1 11  ? -9.42613  14.54992 -6.75790  1.000 43.02384 ? 29  ALA A CA  1 
ATOM   78   C  C   . ALA A 1 11  ? -9.49468  15.36075 -5.47063  1.000 48.97856 ? 29  ALA A C   1 
ATOM   79   O  O   . ALA A 1 11  ? -9.91156  14.84814 -4.42498  1.000 47.18632 ? 29  ALA A O   1 
ATOM   80   C  CB  . ALA A 1 11  ? -8.03623  13.93991 -6.93868  1.000 46.24133 ? 29  ALA A CB  1 
ATOM   81   N  N   . MET A 1 12  ? -9.09068  16.63215 -5.52721  1.000 47.42179 ? 30  MET A N   1 
ATOM   82   C  CA  . MET A 1 12  ? -9.20019  17.49415 -4.35542  1.000 37.65958 ? 30  MET A CA  1 
ATOM   83   C  C   . MET A 1 12  ? -10.65423 17.83143 -4.05288  1.000 43.41432 ? 30  MET A C   1 
ATOM   84   O  O   . MET A 1 12  ? -11.04873 17.91273 -2.88351  1.000 49.45186 ? 30  MET A O   1 
ATOM   85   C  CB  . MET A 1 12  ? -8.38637  18.77008 -4.56439  1.000 48.18164 ? 30  MET A CB  1 
ATOM   86   C  CG  . MET A 1 12  ? -6.88583  18.58044 -4.43261  1.000 41.54512 ? 30  MET A CG  1 
ATOM   87   S  SD  . MET A 1 12  ? -5.97083  20.09529 -4.77500  1.000 49.02222 ? 30  MET A SD  1 
ATOM   88   C  CE  . MET A 1 12  ? -4.35190  19.66662 -4.13533  1.000 38.06778 ? 30  MET A CE  1 
ATOM   89   N  N   . LYS A 1 13  ? -11.46495 18.03492 -5.09368  1.000 40.64948 ? 31  LYS A N   1 
ATOM   90   C  CA  . LYS A 1 13  ? -12.87819 18.32730 -4.88081  1.000 44.39729 ? 31  LYS A CA  1 
ATOM   91   C  C   . LYS A 1 13  ? -13.60872 17.12268 -4.30209  1.000 44.89655 ? 31  LYS A C   1 
ATOM   92   O  O   . LYS A 1 13  ? -14.50647 17.27740 -3.46618  1.000 55.08693 ? 31  LYS A O   1 
ATOM   93   C  CB  . LYS A 1 13  ? -13.52627 18.76985 -6.19204  1.000 39.26850 ? 31  LYS A CB  1 
ATOM   94   N  N   . ARG A 1 14  ? -13.23674 15.91397 -4.73284  1.000 49.89091 ? 32  ARG A N   1 
ATOM   95   C  CA  . ARG A 1 14  ? -13.86811 14.71201 -4.19848  1.000 56.70836 ? 32  ARG A CA  1 
ATOM   96   C  C   . ARG A 1 14  ? -13.53207 14.50997 -2.72661  1.000 49.65449 ? 32  ARG A C   1 
ATOM   97   O  O   . ARG A 1 14  ? -14.35991 13.99285 -1.96818  1.000 55.88513 ? 32  ARG A O   1 
ATOM   98   C  CB  . ARG A 1 14  ? -13.44805 13.48855 -5.01656  1.000 51.58733 ? 32  ARG A CB  1 
ATOM   99   C  CG  . ARG A 1 14  ? -14.12758 12.19067 -4.59931  1.000 63.78917 ? 32  ARG A CG  1 
ATOM   100  C  CD  . ARG A 1 14  ? -13.81995 11.05621 -5.56951  1.000 70.57168 ? 32  ARG A CD  1 
ATOM   101  N  NE  . ARG A 1 14  ? -12.40840 10.68910 -5.58089  1.000 69.32334 ? 32  ARG A NE  1 
ATOM   102  C  CZ  . ARG A 1 14  ? -11.88881 9.68762  -4.88362  1.000 70.87485 ? 32  ARG A CZ  1 
ATOM   103  N  NH1 . ARG A 1 14  ? -12.63610 8.93482  -4.09250  1.000 70.28339 ? 32  ARG A NH1 1 
ATOM   104  N  NH2 . ARG A 1 14  ? -10.58752 9.43140  -4.98637  1.000 63.91216 ? 32  ARG A NH2 1 
ATOM   105  N  N   . HIS A 1 15  ? -12.33798 14.91527 -2.30271  1.000 54.40785 ? 33  HIS A N   1 
ATOM   106  C  CA  . HIS A 1 15  ? -11.92536 14.79473 -0.91233  1.000 46.53413 ? 33  HIS A CA  1 
ATOM   107  C  C   . HIS A 1 15  ? -12.36190 15.98051 -0.06015  1.000 50.89061 ? 33  HIS A C   1 
ATOM   108  O  O   . HIS A 1 15  ? -11.94611 16.08037 1.09812   1.000 56.37204 ? 33  HIS A O   1 
ATOM   109  C  CB  . HIS A 1 15  ? -10.40810 14.61463 -0.82779  1.000 41.29355 ? 33  HIS A CB  1 
ATOM   110  C  CG  . HIS A 1 15  ? -9.93970  13.25813 -1.24651  1.000 51.22451 ? 33  HIS A CG  1 
ATOM   111  N  ND1 . HIS A 1 15  ? -9.63062  12.94443 -2.55559  1.000 58.14667 ? 33  HIS A ND1 1 
ATOM   112  C  CD2 . HIS A 1 15  ? -9.73467  12.12471 -0.53493  1.000 59.09057 ? 33  HIS A CD2 1 
ATOM   113  C  CE1 . HIS A 1 15  ? -9.25178  11.68394 -2.62707  1.000 58.98086 ? 33  HIS A CE1 1 
ATOM   114  N  NE2 . HIS A 1 15  ? -9.30611  11.16099 -1.41277  1.000 62.11282 ? 33  HIS A NE2 1 
ATOM   115  N  N   . GLY A 1 16  ? -13.18183 16.87689 -0.60381  1.000 60.44382 ? 34  GLY A N   1 
ATOM   116  C  CA  . GLY A 1 16  ? -13.75248 17.94784 0.18945   1.000 49.02236 ? 34  GLY A CA  1 
ATOM   117  C  C   . GLY A 1 16  ? -12.85598 19.14159 0.42344   1.000 56.97833 ? 34  GLY A C   1 
ATOM   118  O  O   . GLY A 1 16  ? -12.99191 19.81410 1.45077   1.000 59.15434 ? 34  GLY A O   1 
ATOM   119  N  N   . LEU A 1 17  ? -11.94199 19.43344 -0.50162  1.000 55.85804 ? 35  LEU A N   1 
ATOM   120  C  CA  . LEU A 1 17  ? -11.07721 20.59821 -0.36595  1.000 50.30857 ? 35  LEU A CA  1 
ATOM   121  C  C   . LEU A 1 17  ? -11.68224 21.86520 -0.95200  1.000 51.20125 ? 35  LEU A C   1 
ATOM   122  O  O   . LEU A 1 17  ? -11.18055 22.96000 -0.67026  1.000 49.13864 ? 35  LEU A O   1 
ATOM   123  C  CB  . LEU A 1 17  ? -9.71967  20.33835 -1.02651  1.000 44.78013 ? 35  LEU A CB  1 
ATOM   124  C  CG  . LEU A 1 17  ? -8.72335  19.50556 -0.21937  1.000 47.27178 ? 35  LEU A CG  1 
ATOM   125  C  CD1 . LEU A 1 17  ? -7.37812  19.45796 -0.92286  1.000 54.11466 ? 35  LEU A CD1 1 
ATOM   126  C  CD2 . LEU A 1 17  ? -8.57526  20.06699 1.18507   1.000 35.04906 ? 35  LEU A CD2 1 
ATOM   127  N  N   . ASP A 1 18  ? -12.73727 21.74662 -1.75463  1.000 50.79112 ? 36  ASP A N   1 
ATOM   128  C  CA  . ASP A 1 18  ? -13.38055 22.91968 -2.33142  1.000 49.62104 ? 36  ASP A CA  1 
ATOM   129  C  C   . ASP A 1 18  ? -14.05788 23.72404 -1.22948  1.000 58.84350 ? 36  ASP A C   1 
ATOM   130  O  O   . ASP A 1 18  ? -14.93969 23.21086 -0.53219  1.000 60.20512 ? 36  ASP A O   1 
ATOM   131  C  CB  . ASP A 1 18  ? -14.39954 22.50403 -3.38910  1.000 58.39852 ? 36  ASP A CB  1 
ATOM   132  C  CG  . ASP A 1 18  ? -14.78826 23.65111 -4.30591  1.000 74.71921 ? 36  ASP A CG  1 
ATOM   133  O  OD1 . ASP A 1 18  ? -15.51388 23.40964 -5.29553  1.000 77.50061 ? 36  ASP A OD1 1 
ATOM   134  O  OD2 . ASP A 1 18  ? -14.36056 24.79584 -4.04021  1.000 57.15789 ? 36  ASP A OD2 1 
ATOM   135  N  N   . ASN A 1 19  ? -13.64142 24.98199 -1.07229  1.000 41.74888 ? 37  ASN A N   1 
ATOM   136  C  CA  . ASN A 1 19  ? -14.21060 25.88986 -0.07589  1.000 38.75898 ? 37  ASN A CA  1 
ATOM   137  C  C   . ASN A 1 19  ? -14.05109 25.35443 1.34419   1.000 49.25333 ? 37  ASN A C   1 
ATOM   138  O  O   . ASN A 1 19  ? -14.87564 25.63400 2.21853   1.000 53.61908 ? 37  ASN A O   1 
ATOM   139  C  CB  . ASN A 1 19  ? -15.68395 26.19085 -0.36976  1.000 43.84630 ? 37  ASN A CB  1 
ATOM   140  C  CG  . ASN A 1 19  ? -15.85974 27.27692 -1.40886  1.000 62.76683 ? 37  ASN A CG  1 
ATOM   141  O  OD1 . ASN A 1 19  ? -16.08017 26.99822 -2.58820  1.000 81.66769 ? 37  ASN A OD1 1 
ATOM   142  N  ND2 . ASN A 1 19  ? -15.75980 28.52843 -0.97456  1.000 77.47507 ? 37  ASN A ND2 1 
ATOM   143  N  N   . TYR A 1 20  ? -12.99584 24.57950 1.58729   1.000 42.05608 ? 38  TYR A N   1 
ATOM   144  C  CA  . TYR A 1 20  ? -12.70330 24.12115 2.93902   1.000 43.57339 ? 38  TYR A CA  1 
ATOM   145  C  C   . TYR A 1 20  ? -12.13771 25.27872 3.75216   1.000 51.62798 ? 38  TYR A C   1 
ATOM   146  O  O   . TYR A 1 20  ? -11.05239 25.78632 3.44893   1.000 47.04833 ? 38  TYR A O   1 
ATOM   147  C  CB  . TYR A 1 20  ? -11.72331 22.95083 2.91139   1.000 48.62769 ? 38  TYR A CB  1 
ATOM   148  C  CG  . TYR A 1 20  ? -11.50304 22.31860 4.26972   1.000 52.96770 ? 38  TYR A CG  1 
ATOM   149  C  CD1 . TYR A 1 20  ? -10.48387 22.75628 5.10617   1.000 49.41102 ? 38  TYR A CD1 1 
ATOM   150  C  CD2 . TYR A 1 20  ? -12.32174 21.29017 4.71964   1.000 53.00361 ? 38  TYR A CD2 1 
ATOM   151  C  CE1 . TYR A 1 20  ? -10.28494 22.18564 6.34972   1.000 54.36620 ? 38  TYR A CE1 1 
ATOM   152  C  CE2 . TYR A 1 20  ? -12.12886 20.71299 5.96208   1.000 53.90797 ? 38  TYR A CE2 1 
ATOM   153  C  CZ  . TYR A 1 20  ? -11.10925 21.16537 6.77169   1.000 55.26059 ? 38  TYR A CZ  1 
ATOM   154  O  OH  . TYR A 1 20  ? -10.91341 20.59528 8.00774   1.000 54.03578 ? 38  TYR A OH  1 
ATOM   155  N  N   . ARG A 1 21  ? -12.87758 25.69266 4.78270   1.000 43.35264 ? 39  ARG A N   1 
ATOM   156  C  CA  . ARG A 1 21  ? -12.52333 26.84945 5.60796   1.000 46.76680 ? 39  ARG A CA  1 
ATOM   157  C  C   . ARG A 1 21  ? -12.36372 28.10828 4.75773   1.000 50.53209 ? 39  ARG A C   1 
ATOM   158  O  O   . ARG A 1 21  ? -11.49550 28.94742 5.00775   1.000 47.35280 ? 39  ARG A O   1 
ATOM   159  C  CB  . ARG A 1 21  ? -11.26721 26.58086 6.44159   1.000 52.75296 ? 39  ARG A CB  1 
ATOM   160  C  CG  . ARG A 1 21  ? -11.47335 25.52138 7.51672   1.000 53.49600 ? 39  ARG A CG  1 
ATOM   161  C  CD  . ARG A 1 21  ? -10.34185 25.49438 8.53905   1.000 67.88257 ? 39  ARG A CD  1 
ATOM   162  N  NE  . ARG A 1 21  ? -10.73484 26.04949 9.83079   1.000 82.80921 ? 39  ARG A NE  1 
ATOM   163  C  CZ  . ARG A 1 21  ? -10.12452 27.06295 10.43205  1.000 89.09742 ? 39  ARG A CZ  1 
ATOM   164  N  NH1 . ARG A 1 21  ? -9.07738  27.66234 9.88720   1.000 92.28880 ? 39  ARG A NH1 1 
ATOM   165  N  NH2 . ARG A 1 21  ? -10.56935 27.47823 11.61546  1.000 63.69995 ? 39  ARG A NH2 1 
ATOM   166  N  N   . GLY A 1 22  ? -13.21410 28.23779 3.74075   1.000 50.87157 ? 40  GLY A N   1 
ATOM   167  C  CA  . GLY A 1 22  ? -13.27512 29.43280 2.92768   1.000 51.65407 ? 40  GLY A CA  1 
ATOM   168  C  C   . GLY A 1 22  ? -12.26791 29.52196 1.80187   1.000 47.17297 ? 40  GLY A C   1 
ATOM   169  O  O   . GLY A 1 22  ? -12.22868 30.55076 1.11526   1.000 52.16205 ? 40  GLY A O   1 
ATOM   170  N  N   . TYR A 1 23  ? -11.45367 28.49085 1.58435   1.000 48.90825 ? 41  TYR A N   1 
ATOM   171  C  CA  . TYR A 1 23  ? -10.45015 28.49014 0.52327   1.000 36.54016 ? 41  TYR A CA  1 
ATOM   172  C  C   . TYR A 1 23  ? -10.99642 27.72083 -0.67324  1.000 44.71349 ? 41  TYR A C   1 
ATOM   173  O  O   . TYR A 1 23  ? -11.14747 26.49646 -0.61563  1.000 44.10741 ? 41  TYR A O   1 
ATOM   174  C  CB  . TYR A 1 23  ? -9.13800  27.87808 1.00816   1.000 40.16052 ? 41  TYR A CB  1 
ATOM   175  C  CG  . TYR A 1 23  ? -8.40369  28.72886 2.01499   1.000 29.71388 ? 41  TYR A CG  1 
ATOM   176  C  CD1 . TYR A 1 23  ? -7.61183  29.79387 1.60583   1.000 42.27077 ? 41  TYR A CD1 1 
ATOM   177  C  CD2 . TYR A 1 23  ? -8.49743  28.46520 3.37438   1.000 29.47860 ? 41  TYR A CD2 1 
ATOM   178  C  CE1 . TYR A 1 23  ? -6.93789  30.57582 2.52376   1.000 38.76017 ? 41  TYR A CE1 1 
ATOM   179  C  CE2 . TYR A 1 23  ? -7.82656  29.23980 4.29944   1.000 36.74018 ? 41  TYR A CE2 1 
ATOM   180  C  CZ  . TYR A 1 23  ? -7.04861  30.29370 3.86951   1.000 42.07329 ? 41  TYR A CZ  1 
ATOM   181  O  OH  . TYR A 1 23  ? -6.37998  31.06821 4.78921   1.000 40.35072 ? 41  TYR A OH  1 
ATOM   182  N  N   . SER A 1 24  ? -11.27599 28.43844 -1.75941  1.000 40.45210 ? 42  SER A N   1 
ATOM   183  C  CA  . SER A 1 24  ? -11.80969 27.81381 -2.95739  1.000 39.71358 ? 42  SER A CA  1 
ATOM   184  C  C   . SER A 1 24  ? -10.80778 26.80865 -3.52848  1.000 46.28618 ? 42  SER A C   1 
ATOM   185  O  O   . SER A 1 24  ? -9.62775  26.78417 -3.16819  1.000 45.01685 ? 42  SER A O   1 
ATOM   186  C  CB  . SER A 1 24  ? -12.15885 28.87481 -3.99887  1.000 39.51775 ? 42  SER A CB  1 
ATOM   187  O  OG  . SER A 1 24  ? -11.00009 29.57428 -4.41668  1.000 46.24463 ? 42  SER A OG  1 
ATOM   188  N  N   . LEU A 1 25  ? -11.30439 25.96945 -4.44137  1.000 40.09383 ? 43  LEU A N   1 
ATOM   189  C  CA  . LEU A 1 25  ? -10.49254 24.88276 -4.97979  1.000 36.49075 ? 43  LEU A CA  1 
ATOM   190  C  C   . LEU A 1 25  ? -9.28723  25.40628 -5.74743  1.000 43.57143 ? 43  LEU A C   1 
ATOM   191  O  O   . LEU A 1 25  ? -8.25303  24.73110 -5.81479  1.000 43.83354 ? 43  LEU A O   1 
ATOM   192  C  CB  . LEU A 1 25  ? -11.35537 23.99185 -5.87311  1.000 41.09602 ? 43  LEU A CB  1 
ATOM   193  C  CG  . LEU A 1 25  ? -10.73536 22.73667 -6.48462  1.000 48.52110 ? 43  LEU A CG  1 
ATOM   194  C  CD1 . LEU A 1 25  ? -10.06628 21.88828 -5.41834  1.000 44.67819 ? 43  LEU A CD1 1 
ATOM   195  C  CD2 . LEU A 1 25  ? -11.80573 21.94348 -7.23013  1.000 52.23756 ? 43  LEU A CD2 1 
ATOM   196  N  N   . GLY A 1 26  ? -9.39320  26.60695 -6.31889  1.000 34.36598 ? 44  GLY A N   1 
ATOM   197  C  CA  . GLY A 1 26  ? -8.26976  27.16821 -7.04639  1.000 38.37137 ? 44  GLY A CA  1 
ATOM   198  C  C   . GLY A 1 26  ? -7.05286  27.40117 -6.17486  1.000 41.45528 ? 44  GLY A C   1 
ATOM   199  O  O   . GLY A 1 26  ? -5.92076  27.37164 -6.66432  1.000 34.34578 ? 44  GLY A O   1 
ATOM   200  N  N   . ASN A 1 27  ? -7.26323  27.62903 -4.87570  1.000 36.31616 ? 45  ASN A N   1 
ATOM   201  C  CA  . ASN A 1 27  ? -6.13973  27.86450 -3.97403  1.000 38.17701 ? 45  ASN A CA  1 
ATOM   202  C  C   . ASN A 1 27  ? -5.31551  26.59904 -3.76683  1.000 38.14692 ? 45  ASN A C   1 
ATOM   203  O  O   . ASN A 1 27  ? -4.08178  26.65824 -3.70483  1.000 41.91871 ? 45  ASN A O   1 
ATOM   204  C  CB  . ASN A 1 27  ? -6.64423  28.39573 -2.63224  1.000 43.27862 ? 45  ASN A CB  1 
ATOM   205  C  CG  . ASN A 1 27  ? -7.20259  29.80155 -2.73182  1.000 48.75924 ? 45  ASN A CG  1 
ATOM   206  O  OD1 . ASN A 1 27  ? -6.45222  30.77725 -2.75482  1.000 39.81614 ? 45  ASN A OD1 1 
ATOM   207  N  ND2 . ASN A 1 27  ? -8.52626  29.91342 -2.78104  1.000 35.19166 ? 45  ASN A ND2 1 
ATOM   208  N  N   . TRP A 1 28  ? -5.97674  25.44587 -3.65574  1.000 38.67558 ? 46  TRP A N   1 
ATOM   209  C  CA  . TRP A 1 28  ? -5.25252  24.20690 -3.39148  1.000 36.14821 ? 46  TRP A CA  1 
ATOM   210  C  C   . TRP A 1 28  ? -4.51026  23.72203 -4.63079  1.000 33.46040 ? 46  TRP A C   1 
ATOM   211  O  O   . TRP A 1 28  ? -3.39737  23.19251 -4.52621  1.000 43.86851 ? 46  TRP A O   1 
ATOM   212  C  CB  . TRP A 1 28  ? -6.21883  23.13931 -2.88264  1.000 35.46852 ? 46  TRP A CB  1 
ATOM   213  C  CG  . TRP A 1 28  ? -6.94585  23.54738 -1.63959  1.000 33.72396 ? 46  TRP A CG  1 
ATOM   214  C  CD1 . TRP A 1 28  ? -8.18708  24.10819 -1.56187  1.000 30.02239 ? 46  TRP A CD1 1 
ATOM   215  C  CD2 . TRP A 1 28  ? -6.47199  23.43322 -0.29327  1.000 36.05970 ? 46  TRP A CD2 1 
ATOM   216  N  NE1 . TRP A 1 28  ? -8.51743  24.34673 -0.25014  1.000 37.02105 ? 46  TRP A NE1 1 
ATOM   217  C  CE2 . TRP A 1 28  ? -7.48102  23.94117 0.54898   1.000 40.71226 ? 46  TRP A CE2 1 
ATOM   218  C  CE3 . TRP A 1 28  ? -5.29311  22.94899 0.28203   1.000 33.59316 ? 46  TRP A CE3 1 
ATOM   219  C  CZ2 . TRP A 1 28  ? -7.34774  23.97851 1.93512   1.000 39.91186 ? 46  TRP A CZ2 1 
ATOM   220  C  CZ3 . TRP A 1 28  ? -5.16228  22.98721 1.65770   1.000 41.36624 ? 46  TRP A CZ3 1 
ATOM   221  C  CH2 . TRP A 1 28  ? -6.18382  23.49843 2.46906   1.000 41.27994 ? 46  TRP A CH2 1 
ATOM   222  N  N   . VAL A 1 29  ? -5.10778  23.89224 -5.81187  1.000 39.24201 ? 47  VAL A N   1 
ATOM   223  C  CA  . VAL A 1 29  ? -4.42645  23.51576 -7.04650  1.000 32.55959 ? 47  VAL A CA  1 
ATOM   224  C  C   . VAL A 1 29  ? -3.24042  24.43756 -7.30197  1.000 42.64273 ? 47  VAL A C   1 
ATOM   225  O  O   . VAL A 1 29  ? -2.17505  23.99281 -7.74687  1.000 33.87028 ? 47  VAL A O   1 
ATOM   226  C  CB  . VAL A 1 29  ? -5.41724  23.51994 -8.22549  1.000 35.31084 ? 47  VAL A CB  1 
ATOM   227  C  CG1 . VAL A 1 29  ? -4.71224  23.14580 -9.52290  1.000 43.21592 ? 47  VAL A CG1 1 
ATOM   228  C  CG2 . VAL A 1 29  ? -6.57163  22.56968 -7.94899  1.000 29.94019 ? 47  VAL A CG2 1 
ATOM   229  N  N   . CYS A 1 30  ? -3.40017  25.73366 -7.01913  1.000 38.51824 ? 48  CYS A N   1 
ATOM   230  C  CA  . CYS A 1 30  ? -2.29193  26.66785 -7.19070  1.000 34.00026 ? 48  CYS A CA  1 
ATOM   231  C  C   . CYS A 1 30  ? -1.16280  26.36850 -6.21438  1.000 41.05486 ? 48  CYS A C   1 
ATOM   232  O  O   . CYS A 1 30  ? 0.01693   26.45164 -6.57640  1.000 38.20405 ? 48  CYS A O   1 
ATOM   233  C  CB  . CYS A 1 30  ? -2.78043  28.10624 -7.01640  1.000 29.44935 ? 48  CYS A CB  1 
ATOM   234  S  SG  . CYS A 1 30  ? -1.50777  29.36905 -7.27905  1.000 38.12430 ? 48  CYS A SG  1 
ATOM   235  N  N   . ALA A 1 31  ? -1.50344  26.02481 -4.97060  1.000 34.26349 ? 49  ALA A N   1 
ATOM   236  C  CA  . ALA A 1 31  ? -0.47722  25.70874 -3.98388  1.000 40.59535 ? 49  ALA A CA  1 
ATOM   237  C  C   . ALA A 1 31  ? 0.29053   24.45417 -4.37953  1.000 38.69125 ? 49  ALA A C   1 
ATOM   238  O  O   . ALA A 1 31  ? 1.52563   24.43675 -4.36089  1.000 39.65622 ? 49  ALA A O   1 
ATOM   239  C  CB  . ALA A 1 31  ? -1.10913  25.54459 -2.60166  1.000 35.90791 ? 49  ALA A CB  1 
ATOM   240  N  N   . ALA A 1 32  ? -0.43000  23.39457 -4.75697  1.000 34.52015 ? 50  ALA A N   1 
ATOM   241  C  CA  . ALA A 1 32  ? 0.22839   22.15576 -5.15765  1.000 43.98478 ? 50  ALA A CA  1 
ATOM   242  C  C   . ALA A 1 32  ? 1.08494   22.34810 -6.40407  1.000 46.43243 ? 50  ALA A C   1 
ATOM   243  O  O   . ALA A 1 32  ? 2.07725   21.63507 -6.58939  1.000 43.29101 ? 50  ALA A O   1 
ATOM   244  C  CB  . ALA A 1 32  ? -0.81170  21.06122 -5.39231  1.000 38.26767 ? 50  ALA A CB  1 
ATOM   245  N  N   . LYS A 1 33  ? 0.72099   23.30509 -7.25920  1.000 38.52673 ? 51  LYS A N   1 
ATOM   246  C  CA  . LYS A 1 33  ? 1.50382   23.55751 -8.46684  1.000 35.66982 ? 51  LYS A CA  1 
ATOM   247  C  C   . LYS A 1 33  ? 2.87024   24.13128 -8.12233  1.000 36.95477 ? 51  LYS A C   1 
ATOM   248  O  O   . LYS A 1 33  ? 3.89148   23.71234 -8.68404  1.000 43.87592 ? 51  LYS A O   1 
ATOM   249  C  CB  . LYS A 1 33  ? 0.73965   24.50392 -9.39471  1.000 42.64066 ? 51  LYS A CB  1 
ATOM   250  C  CG  . LYS A 1 33  ? 1.57808   25.06863 -10.52872 1.000 38.48861 ? 51  LYS A CG  1 
ATOM   251  C  CD  . LYS A 1 33  ? 2.04747   23.98077 -11.48191 1.000 40.82988 ? 51  LYS A CD  1 
ATOM   252  C  CE  . LYS A 1 33  ? 2.91872   24.55411 -12.58649 1.000 45.03090 ? 51  LYS A CE  1 
ATOM   253  N  NZ  . LYS A 1 33  ? 3.37539   23.49836 -13.53157 1.000 58.40583 ? 51  LYS A NZ  1 
ATOM   254  N  N   . PHE A 1 34  ? 2.91486   25.09149 -7.20545  1.000 37.05097 ? 52  PHE A N   1 
ATOM   255  C  CA  . PHE A 1 34  ? 4.15618   25.77182 -6.87082  1.000 44.75760 ? 52  PHE A CA  1 
ATOM   256  C  C   . PHE A 1 34  ? 4.90263   25.12487 -5.71199  1.000 44.11191 ? 52  PHE A C   1 
ATOM   257  O  O   . PHE A 1 34  ? 6.05956   25.48382 -5.46497  1.000 51.56415 ? 52  PHE A O   1 
ATOM   258  C  CB  . PHE A 1 34  ? 3.87108   27.24475 -6.55979  1.000 30.87341 ? 52  PHE A CB  1 
ATOM   259  C  CG  . PHE A 1 34  ? 3.36591   28.02008 -7.74549  1.000 49.27901 ? 52  PHE A CG  1 
ATOM   260  C  CD1 . PHE A 1 34  ? 3.97467   27.88435 -8.98333  1.000 41.77336 ? 52  PHE A CD1 1 
ATOM   261  C  CD2 . PHE A 1 34  ? 2.27448   28.86640 -7.63129  1.000 46.56010 ? 52  PHE A CD2 1 
ATOM   262  C  CE1 . PHE A 1 34  ? 3.51492   28.58864 -10.08142 1.000 47.39703 ? 52  PHE A CE1 1 
ATOM   263  C  CE2 . PHE A 1 34  ? 1.80931   29.57280 -8.72828  1.000 56.71634 ? 52  PHE A CE2 1 
ATOM   264  C  CZ  . PHE A 1 34  ? 2.43018   29.43286 -9.95326  1.000 41.96512 ? 52  PHE A CZ  1 
ATOM   265  N  N   . GLU A 1 35  ? 4.27897   24.18368 -5.00287  1.000 41.94780 ? 53  GLU A N   1 
ATOM   266  C  CA  . GLU A 1 35  ? 4.96985   23.44305 -3.95436  1.000 45.00648 ? 53  GLU A CA  1 
ATOM   267  C  C   . GLU A 1 35  ? 5.66586   22.19969 -4.49416  1.000 38.64074 ? 53  GLU A C   1 
ATOM   268  O  O   . GLU A 1 35  ? 6.82412   21.94021 -4.15071  1.000 39.42536 ? 53  GLU A O   1 
ATOM   269  C  CB  . GLU A 1 35  ? 3.99016   23.04237 -2.84466  1.000 31.85411 ? 53  GLU A CB  1 
ATOM   270  C  CG  . GLU A 1 35  ? 3.51152   24.18872 -1.95849  1.000 45.91534 ? 53  GLU A CG  1 
ATOM   271  C  CD  . GLU A 1 35  ? 4.54354   24.62000 -0.93076  1.000 48.27021 ? 53  GLU A CD  1 
ATOM   272  O  OE1 . GLU A 1 35  ? 5.62270   23.99509 -0.86139  1.000 49.73789 ? 53  GLU A OE1 1 
ATOM   273  O  OE2 . GLU A 1 35  ? 4.27104   25.58589 -0.18700  1.000 48.25721 ? 53  GLU A OE2 1 
ATOM   274  N  N   . SER A 1 36  ? 4.98776   21.42882 -5.34573  1.000 35.96628 ? 54  SER A N   1 
ATOM   275  C  CA  . SER A 1 36  ? 5.51881   20.15673 -5.80789  1.000 35.62680 ? 54  SER A CA  1 
ATOM   276  C  C   . SER A 1 36  ? 5.47043   19.96793 -7.31781  1.000 41.25180 ? 54  SER A C   1 
ATOM   277  O  O   . SER A 1 36  ? 5.91612   18.92097 -7.79969  1.000 43.75087 ? 54  SER A O   1 
ATOM   278  C  CB  . SER A 1 36  ? 4.76415   18.99628 -5.14299  1.000 40.88340 ? 54  SER A CB  1 
ATOM   279  O  OG  . SER A 1 36  ? 3.41265   18.96588 -5.56799  1.000 34.69712 ? 54  SER A OG  1 
ATOM   280  N  N   . ASN A 1 37  ? 4.95428   20.94013 -8.07385  1.000 45.52968 ? 55  ASN A N   1 
ATOM   281  C  CA  . ASN A 1 37  ? 4.75395   20.79843 -9.51909  1.000 43.70971 ? 55  ASN A CA  1 
ATOM   282  C  C   . ASN A 1 37  ? 3.89227   19.57636 -9.83115  1.000 42.07898 ? 55  ASN A C   1 
ATOM   283  O  O   . ASN A 1 37  ? 4.18463   18.80207 -10.74527 1.000 48.13811 ? 55  ASN A O   1 
ATOM   284  C  CB  . ASN A 1 37  ? 6.08790   20.73599 -10.26972 1.000 34.33602 ? 55  ASN A CB  1 
ATOM   285  C  CG  . ASN A 1 37  ? 5.94749   21.08435 -11.74239 1.000 60.81295 ? 55  ASN A CG  1 
ATOM   286  O  OD1 . ASN A 1 37  ? 4.84165   21.11311 -12.28429 1.000 60.04192 ? 55  ASN A OD1 1 
ATOM   287  N  ND2 . ASN A 1 37  ? 7.07285   21.34805 -12.39792 1.000 70.35699 ? 55  ASN A ND2 1 
ATOM   288  N  N   . PHE A 1 38  ? 2.82617   19.40012 -9.04892  1.000 38.05418 ? 56  PHE A N   1 
ATOM   289  C  CA  . PHE A 1 38  ? 1.86324   18.31052 -9.20418  1.000 47.30923 ? 56  PHE A CA  1 
ATOM   290  C  C   . PHE A 1 38  ? 2.50412   16.93316 -9.06941  1.000 42.66660 ? 56  PHE A C   1 
ATOM   291  O  O   . PHE A 1 38  ? 1.95417   15.94181 -9.55839  1.000 43.09912 ? 56  PHE A O   1 
ATOM   292  C  CB  . PHE A 1 38  ? 1.11810   18.41117 -10.53983 1.000 43.36791 ? 56  PHE A CB  1 
ATOM   293  C  CG  . PHE A 1 38  ? 0.27784   19.64512 -10.67195 1.000 38.78403 ? 56  PHE A CG  1 
ATOM   294  C  CD1 . PHE A 1 38  ? -0.27514  20.24535 -9.55403  1.000 37.39617 ? 56  PHE A CD1 1 
ATOM   295  C  CD2 . PHE A 1 38  ? 0.04336   20.20724 -11.91450 1.000 37.18968 ? 56  PHE A CD2 1 
ATOM   296  C  CE1 . PHE A 1 38  ? -1.05059  21.38219 -9.67339  1.000 48.52522 ? 56  PHE A CE1 1 
ATOM   297  C  CE2 . PHE A 1 38  ? -0.72920  21.34385 -12.04115 1.000 43.49662 ? 56  PHE A CE2 1 
ATOM   298  C  CZ  . PHE A 1 38  ? -1.27695  21.93244 -10.91910 1.000 39.69332 ? 56  PHE A CZ  1 
ATOM   299  N  N   . ASN A 1 39  ? 3.65353   16.84366 -8.40695  1.000 45.80278 ? 57  ASN A N   1 
ATOM   300  C  CA  . ASN A 1 39  ? 4.36721   15.58404 -8.24171  1.000 43.44863 ? 57  ASN A CA  1 
ATOM   301  C  C   . ASN A 1 39  ? 4.18451   15.09002 -6.81197  1.000 46.03292 ? 57  ASN A C   1 
ATOM   302  O  O   . ASN A 1 39  ? 4.59557   15.76310 -5.86039  1.000 43.54732 ? 57  ASN A O   1 
ATOM   303  C  CB  . ASN A 1 39  ? 5.85003   15.75140 -8.57238  1.000 37.65910 ? 57  ASN A CB  1 
ATOM   304  C  CG  . ASN A 1 39  ? 6.61731   14.44657 -8.49080  1.000 40.34213 ? 57  ASN A CG  1 
ATOM   305  O  OD1 . ASN A 1 39  ? 6.03001   13.36454 -8.49647  1.000 36.26508 ? 57  ASN A OD1 1 
ATOM   306  N  ND2 . ASN A 1 39  ? 7.93962   14.54290 -8.41773  1.000 44.75019 ? 57  ASN A ND2 1 
ATOM   307  N  N   . THR A 1 40  ? 3.56959   13.91382 -6.66573  1.000 45.57086 ? 58  THR A N   1 
ATOM   308  C  CA  . THR A 1 40  ? 3.33385   13.35384 -5.34054  1.000 45.34892 ? 58  THR A CA  1 
ATOM   309  C  C   . THR A 1 40  ? 4.62050   12.90460 -4.66108  1.000 46.58966 ? 58  THR A C   1 
ATOM   310  O  O   . THR A 1 40  ? 4.66771   12.85351 -3.42801  1.000 47.53795 ? 58  THR A O   1 
ATOM   311  C  CB  . THR A 1 40  ? 2.36133   12.17441 -5.42625  1.000 47.27135 ? 58  THR A CB  1 
ATOM   312  O  OG1 . THR A 1 40  ? 2.91982   11.14896 -6.25763  1.000 50.81133 ? 58  THR A OG1 1 
ATOM   313  C  CG2 . THR A 1 40  ? 1.02731   12.62137 -6.00793  1.000 41.02647 ? 58  THR A CG2 1 
ATOM   314  N  N   . GLN A 1 41  ? 5.65981   12.58470 -5.42844  1.000 40.45093 ? 59  GLN A N   1 
ATOM   315  C  CA  . GLN A 1 41  ? 6.91542   12.09322 -4.87854  1.000 41.57693 ? 59  GLN A CA  1 
ATOM   316  C  C   . GLN A 1 41  ? 7.91182   13.20779 -4.58347  1.000 35.59939 ? 59  GLN A C   1 
ATOM   317  O  O   . GLN A 1 41  ? 9.07831   12.91864 -4.29856  1.000 47.28949 ? 59  GLN A O   1 
ATOM   318  C  CB  . GLN A 1 41  ? 7.54753   11.07998 -5.83614  1.000 39.85537 ? 59  GLN A CB  1 
ATOM   319  C  CG  . GLN A 1 41  ? 6.60524   9.98108  -6.29718  1.000 40.76397 ? 59  GLN A CG  1 
ATOM   320  C  CD  . GLN A 1 41  ? 7.31008   8.93280  -7.13251  1.000 50.63566 ? 59  GLN A CD  1 
ATOM   321  O  OE1 . GLN A 1 41  ? 6.96204   8.70666  -8.29168  1.000 57.33625 ? 59  GLN A OE1 1 
ATOM   322  N  NE2 . GLN A 1 41  ? 8.30998   8.28548  -6.54563  1.000 35.72621 ? 59  GLN A NE2 1 
ATOM   323  N  N   . ALA A 1 42  ? 7.48359   14.46569 -4.64106  1.000 41.34839 ? 60  ALA A N   1 
ATOM   324  C  CA  . ALA A 1 42  ? 8.40140   15.57867 -4.44147  1.000 44.18196 ? 60  ALA A CA  1 
ATOM   325  C  C   . ALA A 1 42  ? 8.81939   15.67561 -2.97987  1.000 43.16090 ? 60  ALA A C   1 
ATOM   326  O  O   . ALA A 1 42  ? 7.97901   15.64205 -2.07555  1.000 33.93263 ? 60  ALA A O   1 
ATOM   327  C  CB  . ALA A 1 42  ? 7.75641   16.88701 -4.89406  1.000 38.48724 ? 60  ALA A CB  1 
ATOM   328  N  N   . THR A 1 43  ? 10.12528  15.78877 -2.75252  1.000 44.62538 ? 61  THR A N   1 
ATOM   329  C  CA  . THR A 1 43  ? 10.68451  15.97928 -1.42398  1.000 33.41361 ? 61  THR A CA  1 
ATOM   330  C  C   . THR A 1 43  ? 11.71768  17.09477 -1.47764  1.000 48.06476 ? 61  THR A C   1 
ATOM   331  O  O   . THR A 1 43  ? 12.40248  17.27783 -2.48782  1.000 46.67316 ? 61  THR A O   1 
ATOM   332  C  CB  . THR A 1 43  ? 11.33273  14.69234 -0.88234  1.000 36.64898 ? 61  THR A CB  1 
ATOM   333  O  OG1 . THR A 1 43  ? 12.35278  14.24865 -1.78629  1.000 40.97830 ? 61  THR A OG1 1 
ATOM   334  C  CG2 . THR A 1 43  ? 10.29171  13.59119 -0.71345  1.000 36.19781 ? 61  THR A CG2 1 
ATOM   335  N  N   . ASN A 1 44  ? 11.81744  17.84807 -0.38404  1.000 35.03745 ? 62  ASN A N   1 
ATOM   336  C  CA  . ASN A 1 44  ? 12.77997  18.93679 -0.29327  1.000 42.36539 ? 62  ASN A CA  1 
ATOM   337  C  C   . ASN A 1 44  ? 13.29148  19.04344 1.13476   1.000 36.51758 ? 62  ASN A C   1 
ATOM   338  O  O   . ASN A 1 44  ? 12.51721  18.94019 2.08979   1.000 41.37369 ? 62  ASN A O   1 
ATOM   339  C  CB  . ASN A 1 44  ? 12.17215  20.27381 -0.73297  1.000 42.90364 ? 62  ASN A CB  1 
ATOM   340  C  CG  . ASN A 1 44  ? 11.97479  20.35869 -2.23228  1.000 46.14027 ? 62  ASN A CG  1 
ATOM   341  O  OD1 . ASN A 1 44  ? 12.91604  20.62432 -2.98008  1.000 53.43901 ? 62  ASN A OD1 1 
ATOM   342  N  ND2 . ASN A 1 44  ? 10.74520  20.13760 -2.68004  1.000 51.65592 ? 62  ASN A ND2 1 
ATOM   343  N  N   . ARG A 1 45  ? 14.59774  19.26368 1.26505   1.000 45.24307 ? 63  ARG A N   1 
ATOM   344  C  CA  . ARG A 1 45  ? 15.25758  19.35978 2.56057   1.000 46.87973 ? 63  ARG A CA  1 
ATOM   345  C  C   . ARG A 1 45  ? 15.20555  20.79361 3.06952   1.000 52.07350 ? 63  ARG A C   1 
ATOM   346  O  O   . ARG A 1 45  ? 15.55649  21.72979 2.34412   1.000 45.30383 ? 63  ARG A O   1 
ATOM   347  C  CB  . ARG A 1 45  ? 16.71444  18.90585 2.45521   1.000 60.85402 ? 63  ARG A CB  1 
ATOM   348  C  CG  . ARG A 1 45  ? 17.32916  18.41764 3.75838   1.000 51.41094 ? 63  ARG A CG  1 
ATOM   349  C  CD  . ARG A 1 45  ? 16.81227  17.01958 4.07112   1.000 61.14921 ? 63  ARG A CD  1 
ATOM   350  N  NE  . ARG A 1 45  ? 17.81890  16.17538 4.70375   1.000 83.40041 ? 63  ARG A NE  1 
ATOM   351  C  CZ  . ARG A 1 45  ? 17.83471  15.85924 5.99175   1.000 86.70859 ? 63  ARG A CZ  1 
ATOM   352  N  NH1 . ARG A 1 45  ? 16.91806  16.31728 6.82804   1.000 81.74368 ? 63  ARG A NH1 1 
ATOM   353  N  NH2 . ARG A 1 45  ? 18.78611  15.05021 6.44878   1.000 78.82128 ? 63  ARG A NH2 1 
ATOM   354  N  N   . ASN A 1 46  ? 14.78373  20.96107 4.31609   1.000 45.91509 ? 64  ASN A N   1 
ATOM   355  C  CA  . ASN A 1 46  ? 14.81550  22.26883 4.94798   1.000 54.17103 ? 64  ASN A CA  1 
ATOM   356  C  C   . ASN A 1 46  ? 16.15751  22.48546 5.63811   1.000 52.26577 ? 64  ASN A C   1 
ATOM   357  O  O   . ASN A 1 46  ? 16.90142  21.54244 5.91860   1.000 47.78338 ? 64  ASN A O   1 
ATOM   358  C  CB  . ASN A 1 46  ? 13.67094  22.41454 5.94925   1.000 41.56978 ? 64  ASN A CB  1 
ATOM   359  C  CG  . ASN A 1 46  ? 12.31073  22.41901 5.27948   1.000 47.43230 ? 64  ASN A CG  1 
ATOM   360  O  OD1 . ASN A 1 46  ? 12.11649  23.05923 4.24512   1.000 46.49718 ? 64  ASN A OD1 1 
ATOM   361  N  ND2 . ASN A 1 46  ? 11.36077  21.69965 5.86552   1.000 50.39126 ? 64  ASN A ND2 1 
ATOM   362  N  N   . THR A 1 47  ? 16.46263  23.75551 5.90834   1.000 49.51331 ? 65  THR A N   1 
ATOM   363  C  CA  . THR A 1 47  ? 17.75012  24.08401 6.50930   1.000 65.27690 ? 65  THR A CA  1 
ATOM   364  C  C   . THR A 1 47  ? 17.87424  23.54114 7.92775   1.000 60.84172 ? 65  THR A C   1 
ATOM   365  O  O   . THR A 1 47  ? 18.98070  23.20027 8.35897   1.000 58.44929 ? 65  THR A O   1 
ATOM   366  C  CB  . THR A 1 47  ? 17.97010  25.59722 6.50094   1.000 57.60102 ? 65  THR A CB  1 
ATOM   367  O  OG1 . THR A 1 47  ? 16.74440  26.26590 6.82522   1.000 72.50099 ? 65  THR A OG1 1 
ATOM   368  C  CG2 . THR A 1 47  ? 18.45661  26.05824 5.13522   1.000 52.90447 ? 65  THR A CG2 1 
ATOM   369  N  N   . ASP A 1 48  ? 16.76685  23.44222 8.66314   1.000 48.25608 ? 66  ASP A N   1 
ATOM   370  C  CA  . ASP A 1 48  ? 16.82139  22.97001 10.04221  1.000 43.54354 ? 66  ASP A CA  1 
ATOM   371  C  C   . ASP A 1 48  ? 16.92629  21.45298 10.15625  1.000 54.24221 ? 66  ASP A C   1 
ATOM   372  O  O   . ASP A 1 48  ? 16.97290  20.93621 11.27791  1.000 63.22719 ? 66  ASP A O   1 
ATOM   373  C  CB  . ASP A 1 48  ? 15.59824  23.47013 10.82369  1.000 51.32022 ? 66  ASP A CB  1 
ATOM   374  C  CG  . ASP A 1 48  ? 14.27623  23.07047 10.18028  1.000 54.44681 ? 66  ASP A CG  1 
ATOM   375  O  OD1 . ASP A 1 48  ? 14.28406  22.27403 9.21800   1.000 65.95422 ? 66  ASP A OD1 1 
ATOM   376  O  OD2 . ASP A 1 48  ? 13.22188  23.56138 10.63929  1.000 68.01391 ? 66  ASP A OD2 1 
ATOM   377  N  N   . GLY A 1 49  ? 16.97878  20.73153 9.03808   1.000 43.47397 ? 67  GLY A N   1 
ATOM   378  C  CA  . GLY A 1 49  ? 17.04017  19.28691 9.05080   1.000 49.56575 ? 67  GLY A CA  1 
ATOM   379  C  C   . GLY A 1 49  ? 15.72764  18.59686 8.75136   1.000 52.43739 ? 67  GLY A C   1 
ATOM   380  O  O   . GLY A 1 49  ? 15.72475  17.38064 8.52372   1.000 50.66158 ? 67  GLY A O   1 
ATOM   381  N  N   . SER A 1 50  ? 14.61834  19.33013 8.74956   1.000 46.41176 ? 68  SER A N   1 
ATOM   382  C  CA  . SER A 1 50  ? 13.32598  18.75172 8.42842   1.000 44.05461 ? 68  SER A CA  1 
ATOM   383  C  C   . SER A 1 50  ? 13.15647  18.64248 6.91382   1.000 37.25132 ? 68  SER A C   1 
ATOM   384  O  O   . SER A 1 50  ? 13.92116  19.21094 6.12996   1.000 39.55116 ? 68  SER A O   1 
ATOM   385  C  CB  . SER A 1 50  ? 12.20273  19.58475 9.04284   1.000 47.74773 ? 68  SER A CB  1 
ATOM   386  O  OG  . SER A 1 50  ? 12.22326  20.91445 8.55302   1.000 48.32437 ? 68  SER A OG  1 
ATOM   387  N  N   . THR A 1 51  ? 12.13354  17.89728 6.50275   1.000 42.29909 ? 69  THR A N   1 
ATOM   388  C  CA  . THR A 1 51  ? 11.89544  17.60907 5.09623   1.000 48.23113 ? 69  THR A CA  1 
ATOM   389  C  C   . THR A 1 51  ? 10.41878  17.78756 4.77302   1.000 44.80145 ? 69  THR A C   1 
ATOM   390  O  O   . THR A 1 51  ? 9.54968   17.40420 5.56190   1.000 38.97117 ? 69  THR A O   1 
ATOM   391  C  CB  . THR A 1 51  ? 12.34582  16.18106 4.74203   1.000 46.41233 ? 69  THR A CB  1 
ATOM   392  O  OG1 . THR A 1 51  ? 13.71855  16.00348 5.11355   1.000 39.25491 ? 69  THR A OG1 1 
ATOM   393  C  CG2 . THR A 1 51  ? 12.19479  15.91790 3.25084   1.000 40.54748 ? 69  THR A CG2 1 
ATOM   394  N  N   . ASP A 1 52  ? 10.14387  18.37952 3.61355   1.000 37.03169 ? 70  ASP A N   1 
ATOM   395  C  CA  . ASP A 1 52  ? 8.78876   18.55334 3.11163   1.000 40.08231 ? 70  ASP A CA  1 
ATOM   396  C  C   . ASP A 1 52  ? 8.45160   17.41206 2.16137   1.000 41.28135 ? 70  ASP A C   1 
ATOM   397  O  O   . ASP A 1 52  ? 9.28204   17.01062 1.34078   1.000 36.70201 ? 70  ASP A O   1 
ATOM   398  C  CB  . ASP A 1 52  ? 8.64692   19.89598 2.39527   1.000 37.96422 ? 70  ASP A CB  1 
ATOM   399  C  CG  . ASP A 1 52  ? 9.33874   21.02142 3.13471   1.000 42.88782 ? 70  ASP A CG  1 
ATOM   400  O  OD1 . ASP A 1 52  ? 8.99166   21.26917 4.30871   1.000 38.49840 ? 70  ASP A OD1 1 
ATOM   401  O  OD2 . ASP A 1 52  ? 10.24782  21.64263 2.54695   1.000 45.36649 ? 70  ASP A OD2 1 
ATOM   402  N  N   . TYR A 1 53  ? 7.22983   16.89284 2.27267   1.000 37.52511 ? 71  TYR A N   1 
ATOM   403  C  CA  . TYR A 1 53  ? 6.83470   15.69087 1.55245   1.000 33.39435 ? 71  TYR A CA  1 
ATOM   404  C  C   . TYR A 1 53  ? 5.52728   15.90094 0.80616   1.000 41.96688 ? 71  TYR A C   1 
ATOM   405  O  O   . TYR A 1 53  ? 4.59350   16.51807 1.32647   1.000 42.07740 ? 71  TYR A O   1 
ATOM   406  C  CB  . TYR A 1 53  ? 6.66652   14.49983 2.50289   1.000 37.18111 ? 71  TYR A CB  1 
ATOM   407  C  CG  . TYR A 1 53  ? 7.92680   14.07842 3.21527   1.000 43.80721 ? 71  TYR A CG  1 
ATOM   408  C  CD1 . TYR A 1 53  ? 8.31231   14.68761 4.40080   1.000 37.68832 ? 71  TYR A CD1 1 
ATOM   409  C  CD2 . TYR A 1 53  ? 8.72473   13.06097 2.70966   1.000 33.87623 ? 71  TYR A CD2 1 
ATOM   410  C  CE1 . TYR A 1 53  ? 9.45995   14.30023 5.05975   1.000 45.97406 ? 71  TYR A CE1 1 
ATOM   411  C  CE2 . TYR A 1 53  ? 9.87524   12.66739 3.36111   1.000 43.34536 ? 71  TYR A CE2 1 
ATOM   412  C  CZ  . TYR A 1 53  ? 10.23805  13.29064 4.53597   1.000 38.92929 ? 71  TYR A CZ  1 
ATOM   413  O  OH  . TYR A 1 53  ? 11.38379  12.90367 5.18933   1.000 46.23491 ? 71  TYR A OH  1 
ATOM   414  N  N   . GLY A 1 54  ? 5.46749   15.37447 -0.40990  1.000 45.62798 ? 72  GLY A N   1 
ATOM   415  C  CA  . GLY A 1 54  ? 4.20153   15.15348 -1.07201  1.000 41.90230 ? 72  GLY A CA  1 
ATOM   416  C  C   . GLY A 1 54  ? 3.76233   16.25999 -2.00539  1.000 48.03491 ? 72  GLY A C   1 
ATOM   417  O  O   . GLY A 1 54  ? 4.50040   17.18439 -2.36163  1.000 40.82731 ? 72  GLY A O   1 
ATOM   418  N  N   . ILE A 1 55  ? 2.49374   16.13857 -2.40566  1.000 44.11329 ? 73  ILE A N   1 
ATOM   419  C  CA  . ILE A 1 55  ? 1.88517   17.06566 -3.35369  1.000 43.13813 ? 73  ILE A CA  1 
ATOM   420  C  C   . ILE A 1 55  ? 1.81891   18.47329 -2.77728  1.000 36.81133 ? 73  ILE A C   1 
ATOM   421  O  O   . ILE A 1 55  ? 1.84809   19.46117 -3.52166  1.000 37.82622 ? 73  ILE A O   1 
ATOM   422  C  CB  . ILE A 1 55  ? 0.48835   16.54360 -3.75473  1.000 37.90318 ? 73  ILE A CB  1 
ATOM   423  C  CG1 . ILE A 1 55  ? -0.12422  17.39351 -4.86790  1.000 44.97362 ? 73  ILE A CG1 1 
ATOM   424  C  CG2 . ILE A 1 55  ? -0.43451  16.47692 -2.54416  1.000 40.47356 ? 73  ILE A CG2 1 
ATOM   425  C  CD1 . ILE A 1 55  ? 0.34476   17.00351 -6.24296  1.000 46.44128 ? 73  ILE A CD1 1 
ATOM   426  N  N   . LEU A 1 56  ? 1.74161   18.59454 -1.45242  1.000 36.13050 ? 74  LEU A N   1 
ATOM   427  C  CA  . LEU A 1 56  ? 1.61886   19.88531 -0.78964  1.000 38.08751 ? 74  LEU A CA  1 
ATOM   428  C  C   . LEU A 1 56  ? 2.83453   20.22859 0.06292   1.000 43.99783 ? 74  LEU A C   1 
ATOM   429  O  O   . LEU A 1 56  ? 2.80535   21.22898 0.78750   1.000 38.36998 ? 74  LEU A O   1 
ATOM   430  C  CB  . LEU A 1 56  ? 0.34752   19.91818 0.06172   1.000 41.97006 ? 74  LEU A CB  1 
ATOM   431  C  CG  . LEU A 1 56  ? -0.96421  19.95696 -0.72482  1.000 36.80893 ? 74  LEU A CG  1 
ATOM   432  C  CD1 . LEU A 1 56  ? -2.15743  19.86993 0.20926   1.000 38.77139 ? 74  LEU A CD1 1 
ATOM   433  C  CD2 . LEU A 1 56  ? -1.03373  21.22131 -1.56442  1.000 40.65933 ? 74  LEU A CD2 1 
ATOM   434  N  N   . GLN A 1 57  ? 3.89656   19.42486 -0.00786  1.000 37.77068 ? 75  GLN A N   1 
ATOM   435  C  CA  . GLN A 1 57  ? 5.15167   19.68871 0.69879   1.000 45.30961 ? 75  GLN A CA  1 
ATOM   436  C  C   . GLN A 1 57  ? 4.91933   19.89221 2.19433   1.000 40.35198 ? 75  GLN A C   1 
ATOM   437  O  O   . GLN A 1 57  ? 5.34480   20.88542 2.78961   1.000 41.77463 ? 75  GLN A O   1 
ATOM   438  C  CB  . GLN A 1 57  ? 5.88082   20.88552 0.08747   1.000 34.84208 ? 75  GLN A CB  1 
ATOM   439  C  CG  . GLN A 1 57  ? 6.47008   20.61123 -1.28492  1.000 44.76531 ? 75  GLN A CG  1 
ATOM   440  C  CD  . GLN A 1 57  ? 7.60448   19.60382 -1.24501  1.000 40.44505 ? 75  GLN A CD  1 
ATOM   441  O  OE1 . GLN A 1 57  ? 8.75651   19.95983 -0.99571  1.000 47.62528 ? 75  GLN A OE1 1 
ATOM   442  N  NE2 . GLN A 1 57  ? 7.28365   18.33840 -1.49358  1.000 34.63234 ? 75  GLN A NE2 1 
ATOM   443  N  N   . ILE A 1 58  ? 4.22993   18.92917 2.80450   1.000 35.65344 ? 76  ILE A N   1 
ATOM   444  C  CA  . ILE A 1 58  ? 3.97586   18.98111 4.23826   1.000 42.43097 ? 76  ILE A CA  1 
ATOM   445  C  C   . ILE A 1 58  ? 5.26353   18.68852 4.98910   1.000 51.89093 ? 76  ILE A C   1 
ATOM   446  O  O   . ILE A 1 58  ? 5.92304   17.66255 4.75521   1.000 46.11484 ? 76  ILE A O   1 
ATOM   447  C  CB  . ILE A 1 58  ? 2.85657   18.00202 4.62020   1.000 39.41545 ? 76  ILE A CB  1 
ATOM   448  C  CG1 . ILE A 1 58  ? 1.52378   18.46611 4.02714   1.000 30.00221 ? 76  ILE A CG1 1 
ATOM   449  C  CG2 . ILE A 1 58  ? 2.76023   17.87575 6.12509   1.000 44.08515 ? 76  ILE A CG2 1 
ATOM   450  C  CD1 . ILE A 1 58  ? 0.35586   17.56907 4.37190   1.000 55.46726 ? 76  ILE A CD1 1 
ATOM   451  N  N   . ASN A 1 59  ? 5.63417   19.58424 5.90195   1.000 38.64429 ? 77  ASN A N   1 
ATOM   452  C  CA  A ASN A 1 59  ? 6.89940   19.49424 6.61409   0.611 35.62407 ? 77  ASN A CA  1 
ATOM   453  C  CA  B ASN A 1 59  ? 6.90555   19.47736 6.59927   0.389 36.08985 ? 77  ASN A CA  1 
ATOM   454  C  C   . ASN A 1 59  ? 6.83852   18.42988 7.70182   1.000 48.56267 ? 77  ASN A C   1 
ATOM   455  O  O   . ASN A 1 59  ? 5.80277   18.24178 8.34811   1.000 37.89289 ? 77  ASN A O   1 
ATOM   456  C  CB  A ASN A 1 59  ? 7.24819   20.84847 7.23095   0.611 41.62439 ? 77  ASN A CB  1 
ATOM   457  C  CB  B ASN A 1 59  ? 7.31528   20.82873 7.18671   0.389 41.69574 ? 77  ASN A CB  1 
ATOM   458  C  CG  A ASN A 1 59  ? 8.69906   20.94744 7.64223   0.611 39.61458 ? 77  ASN A CG  1 
ATOM   459  C  CG  B ASN A 1 59  ? 6.47056   21.22850 8.38018   0.389 38.80078 ? 77  ASN A CG  1 
ATOM   460  O  OD1 A ASN A 1 59  ? 9.42088   19.95181 7.66230   0.611 47.63449 ? 77  ASN A OD1 1 
ATOM   461  O  OD1 B ASN A 1 59  ? 6.78350   20.88192 9.51866   0.389 39.46744 ? 77  ASN A OD1 1 
ATOM   462  N  ND2 A ASN A 1 59  ? 9.13522   22.15500 7.97754   0.611 46.41278 ? 77  ASN A ND2 1 
ATOM   463  N  ND2 B ASN A 1 59  ? 5.39601   21.96567 8.12618   0.389 49.79826 ? 77  ASN A ND2 1 
ATOM   464  N  N   . SER A 1 60  ? 7.96230   17.74183 7.91191   1.000 40.77948 ? 78  SER A N   1 
ATOM   465  C  CA  . SER A 1 60  ? 8.06797   16.71624 8.94054   1.000 40.58417 ? 78  SER A CA  1 
ATOM   466  C  C   . SER A 1 60  ? 8.33267   17.28985 10.32549  1.000 43.14831 ? 78  SER A C   1 
ATOM   467  O  O   . SER A 1 60  ? 8.25432   16.54731 11.31033  1.000 48.30694 ? 78  SER A O   1 
ATOM   468  C  CB  . SER A 1 60  ? 9.17866   15.72697 8.58023   1.000 39.66831 ? 78  SER A CB  1 
ATOM   469  O  OG  . SER A 1 60  ? 10.43724  16.37697 8.52292   1.000 40.64856 ? 78  SER A OG  1 
ATOM   470  N  N   . ARG A 1 61  ? 8.64318   18.58435 10.42446  1.000 40.61289 ? 79  ARG A N   1 
ATOM   471  C  CA  . ARG A 1 61  ? 8.92842   19.19074 11.71839  1.000 49.85804 ? 79  ARG A CA  1 
ATOM   472  C  C   . ARG A 1 61  ? 7.69464   19.27186 12.60614  1.000 51.65162 ? 79  ARG A C   1 
ATOM   473  O  O   . ARG A 1 61  ? 7.83245   19.42989 13.82362  1.000 47.68472 ? 79  ARG A O   1 
ATOM   474  C  CB  . ARG A 1 61  ? 9.51937   20.58818 11.52446  1.000 48.03339 ? 79  ARG A CB  1 
ATOM   475  N  N   . TRP A 1 62  ? 6.50532   19.16282 12.03646  1.000 48.57448 ? 80  TRP A N   1 
ATOM   476  C  CA  . TRP A 1 62  ? 5.28802   19.29240 12.82784  1.000 42.04245 ? 80  TRP A CA  1 
ATOM   477  C  C   . TRP A 1 62  ? 4.26923   18.19871 12.55378  1.000 49.65228 ? 80  TRP A C   1 
ATOM   478  O  O   . TRP A 1 62  ? 3.63651   17.71089 13.49197  1.000 50.25762 ? 80  TRP A O   1 
ATOM   479  C  CB  . TRP A 1 62  ? 4.63165   20.66280 12.57309  1.000 40.32978 ? 80  TRP A CB  1 
ATOM   480  C  CG  . TRP A 1 62  ? 5.51079   21.83624 12.86706  1.000 45.69154 ? 80  TRP A CG  1 
ATOM   481  C  CD1 . TRP A 1 62  ? 6.19666   22.59289 11.96291  1.000 64.28037 ? 80  TRP A CD1 1 
ATOM   482  C  CD2 . TRP A 1 62  ? 5.79470   22.39420 14.15464  1.000 52.57647 ? 80  TRP A CD2 1 
ATOM   483  N  NE1 . TRP A 1 62  ? 6.89226   23.58629 12.60711  1.000 58.09835 ? 80  TRP A NE1 1 
ATOM   484  C  CE2 . TRP A 1 62  ? 6.66266   23.48584 13.95395  1.000 67.26677 ? 80  TRP A CE2 1 
ATOM   485  C  CE3 . TRP A 1 62  ? 5.40124   22.07563 15.45793  1.000 62.12319 ? 80  TRP A CE3 1 
ATOM   486  C  CZ2 . TRP A 1 62  ? 7.14357   24.26026 15.00675  1.000 73.08249 ? 80  TRP A CZ2 1 
ATOM   487  C  CZ3 . TRP A 1 62  ? 5.87978   22.84646 16.50218  1.000 76.94171 ? 80  TRP A CZ3 1 
ATOM   488  C  CH2 . TRP A 1 62  ? 6.74169   23.92593 16.27018  1.000 59.65892 ? 80  TRP A CH2 1 
ATOM   489  N  N   . TRP A 1 63  ? 4.09887   17.79336 11.29733  1.000 40.49976 ? 81  TRP A N   1 
ATOM   490  C  CA  . TRP A 1 63  ? 2.90265   17.06815 10.89541  1.000 48.49272 ? 81  TRP A CA  1 
ATOM   491  C  C   . TRP A 1 63  ? 3.10776   15.58203 10.64723  1.000 39.39133 ? 81  TRP A C   1 
ATOM   492  O  O   . TRP A 1 63  ? 2.18222   14.80670 10.88764  1.000 50.26942 ? 81  TRP A O   1 
ATOM   493  C  CB  . TRP A 1 63  ? 2.30652   17.71163 9.63958   1.000 45.94988 ? 81  TRP A CB  1 
ATOM   494  C  CG  . TRP A 1 63  ? 2.21407   19.20397 9.75488   1.000 43.31650 ? 81  TRP A CG  1 
ATOM   495  C  CD1 . TRP A 1 63  ? 3.02291   20.12657 9.15557   1.000 48.24602 ? 81  TRP A CD1 1 
ATOM   496  C  CD2 . TRP A 1 63  ? 1.27722   19.94528 10.54423  1.000 40.83260 ? 81  TRP A CD2 1 
ATOM   497  N  NE1 . TRP A 1 63  ? 2.63653   21.39712 9.51016   1.000 42.78802 ? 81  TRP A NE1 1 
ATOM   498  C  CE2 . TRP A 1 63  ? 1.56617   21.31304 10.36161  1.000 50.22290 ? 81  TRP A CE2 1 
ATOM   499  C  CE3 . TRP A 1 63  ? 0.21049   19.58599 11.37371  1.000 49.42396 ? 81  TRP A CE3 1 
ATOM   500  C  CZ2 . TRP A 1 63  ? 0.82779   22.32088 10.97869  1.000 45.44625 ? 81  TRP A CZ2 1 
ATOM   501  C  CZ3 . TRP A 1 63  ? -0.51763  20.58751 11.98941  1.000 37.63351 ? 81  TRP A CZ3 1 
ATOM   502  C  CH2 . TRP A 1 63  ? -0.20343  21.93844 11.79160  1.000 40.84540 ? 81  TRP A CH2 1 
ATOM   503  N  N   . CYS A 1 64  ? 4.27752   15.15248 10.18315  1.000 40.56119 ? 82  CYS A N   1 
ATOM   504  C  CA  . CYS A 1 64  ? 4.50537   13.73962 9.91533   1.000 34.05468 ? 82  CYS A CA  1 
ATOM   505  C  C   . CYS A 1 64  ? 5.82385   13.29715 10.53753  1.000 41.54078 ? 82  CYS A C   1 
ATOM   506  O  O   . CYS A 1 64  ? 6.65832   14.11401 10.93681  1.000 45.33152 ? 82  CYS A O   1 
ATOM   507  C  CB  . CYS A 1 64  ? 4.48861   13.44392 8.40763   1.000 30.30167 ? 82  CYS A CB  1 
ATOM   508  S  SG  . CYS A 1 64  ? 5.84294   14.17717 7.46726   1.000 42.97780 ? 82  CYS A SG  1 
ATOM   509  N  N   . ASN A 1 65  ? 6.00104   11.97966 10.61629  1.000 43.89644 ? 83  ASN A N   1 
ATOM   510  C  CA  . ASN A 1 65  ? 7.18465   11.36330 11.20455  1.000 41.50887 ? 83  ASN A CA  1 
ATOM   511  C  C   . ASN A 1 65  ? 7.99841   10.68502 10.11057  1.000 37.39182 ? 83  ASN A C   1 
ATOM   512  O  O   . ASN A 1 65  ? 7.47960   9.82620  9.38912   1.000 46.65052 ? 83  ASN A O   1 
ATOM   513  C  CB  . ASN A 1 65  ? 6.79341   10.35206 12.28198  1.000 51.16408 ? 83  ASN A CB  1 
ATOM   514  C  CG  . ASN A 1 65  ? 7.96006   9.49318  12.72273  1.000 50.67758 ? 83  ASN A CG  1 
ATOM   515  O  OD1 . ASN A 1 65  ? 8.82284   9.93944  13.47824  1.000 47.84820 ? 83  ASN A OD1 1 
ATOM   516  N  ND2 . ASN A 1 65  ? 7.99414   8.25242  12.24922  1.000 47.40374 ? 83  ASN A ND2 1 
ATOM   517  N  N   . ASP A 1 66  ? 9.26919   11.07124 9.98862   1.000 42.64740 ? 84  ASP A N   1 
ATOM   518  C  CA  . ASP A 1 66  ? 10.17253  10.46326 9.02229   1.000 40.89434 ? 84  ASP A CA  1 
ATOM   519  C  C   . ASP A 1 66  ? 11.36853  9.78062  9.66945   1.000 38.07137 ? 84  ASP A C   1 
ATOM   520  O  O   . ASP A 1 66  ? 12.20873  9.22589  8.95143   1.000 48.94237 ? 84  ASP A O   1 
ATOM   521  C  CB  . ASP A 1 66  ? 10.66351  11.50719 8.00749   1.000 37.20477 ? 84  ASP A CB  1 
ATOM   522  C  CG  . ASP A 1 66  ? 11.36134  12.68384 8.66344   1.000 45.26040 ? 84  ASP A CG  1 
ATOM   523  O  OD1 . ASP A 1 66  ? 11.37623  12.75818 9.91013   1.000 47.52299 ? 84  ASP A OD1 1 
ATOM   524  O  OD2 . ASP A 1 66  ? 11.89527  13.54000 7.92734   1.000 40.90729 ? 84  ASP A OD2 1 
ATOM   525  N  N   . GLY A 1 67  ? 11.47783  9.81025  10.99504  1.000 39.99211 ? 85  GLY A N   1 
ATOM   526  C  CA  . GLY A 1 67  ? 12.51881  9.08058  11.68372  1.000 47.67189 ? 85  GLY A CA  1 
ATOM   527  C  C   . GLY A 1 67  ? 13.86648  9.76032  11.75039  1.000 50.45334 ? 85  GLY A C   1 
ATOM   528  O  O   . GLY A 1 67  ? 14.79519  9.19029  12.33906  1.000 60.81091 ? 85  GLY A O   1 
ATOM   529  N  N   . ARG A 1 68  ? 14.01466  10.95631 11.17042  1.000 46.96791 ? 86  ARG A N   1 
ATOM   530  C  CA  . ARG A 1 68  ? 15.28514  11.66497 11.22706  1.000 44.09327 ? 86  ARG A CA  1 
ATOM   531  C  C   . ARG A 1 68  ? 15.11448  13.15905 11.48023  1.000 53.17981 ? 86  ARG A C   1 
ATOM   532  O  O   . ARG A 1 68  ? 16.03912  13.93279 11.19723  1.000 49.75732 ? 86  ARG A O   1 
ATOM   533  C  CB  . ARG A 1 68  ? 16.08799  11.45069 9.93928   1.000 55.38537 ? 86  ARG A CB  1 
ATOM   534  C  CG  . ARG A 1 68  ? 15.68256  12.34352 8.77362   1.000 58.16952 ? 86  ARG A CG  1 
ATOM   535  C  CD  . ARG A 1 68  ? 16.02921  11.67583 7.45290   1.000 68.51305 ? 86  ARG A CD  1 
ATOM   536  N  NE  . ARG A 1 68  ? 16.18594  12.62066 6.35086   1.000 55.43817 ? 86  ARG A NE  1 
ATOM   537  C  CZ  . ARG A 1 68  ? 15.18095  13.15415 5.66751   1.000 84.50006 ? 86  ARG A CZ  1 
ATOM   538  N  NH1 . ARG A 1 68  ? 13.92030  12.90704 5.98351   1.000 86.37678 ? 86  ARG A NH1 1 
ATOM   539  N  NH2 . ARG A 1 68  ? 15.45252  13.96627 4.64526   1.000 59.88445 ? 86  ARG A NH2 1 
ATOM   540  N  N   . THR A 1 69  ? 13.96717  13.59106 11.98194  1.000 43.18839 ? 87  THR A N   1 
ATOM   541  C  CA  . THR A 1 69  ? 13.80124  14.97540 12.39353  1.000 52.85186 ? 87  THR A CA  1 
ATOM   542  C  C   . THR A 1 69  ? 13.67943  14.99062 13.91089  1.000 54.91971 ? 87  THR A C   1 
ATOM   543  O  O   . THR A 1 69  ? 12.56105  14.94184 14.44037  1.000 56.11083 ? 87  THR A O   1 
ATOM   544  C  CB  . THR A 1 69  ? 12.56772  15.60736 11.74577  1.000 48.67587 ? 87  THR A CB  1 
ATOM   545  O  OG1 . THR A 1 69  ? 12.54730  15.31269 10.34448  1.000 45.49881 ? 87  THR A OG1 1 
ATOM   546  C  CG2 . THR A 1 69  ? 12.59180  17.11526 11.92517  1.000 36.12273 ? 87  THR A CG2 1 
ATOM   547  N  N   . PRO A 1 70  ? 14.79960  15.04540 14.63937  1.000 57.22469 ? 88  PRO A N   1 
ATOM   548  C  CA  . PRO A 1 70  ? 14.74253  14.93831 16.10357  1.000 52.01546 ? 88  PRO A CA  1 
ATOM   549  C  C   . PRO A 1 70  ? 14.03823  16.12685 16.73846  1.000 52.53253 ? 88  PRO A C   1 
ATOM   550  O  O   . PRO A 1 70  ? 14.22991  17.27704 16.33519  1.000 55.55611 ? 88  PRO A O   1 
ATOM   551  C  CB  . PRO A 1 70  ? 16.22088  14.88981 16.51826  1.000 47.54099 ? 88  PRO A CB  1 
ATOM   552  C  CG  . PRO A 1 70  ? 16.97450  14.54772 15.27295  1.000 48.57742 ? 88  PRO A CG  1 
ATOM   553  C  CD  . PRO A 1 70  ? 16.18326  15.14950 14.15047  1.000 45.82207 ? 88  PRO A CD  1 
ATOM   554  N  N   . GLY A 1 71  ? 13.22344  15.83616 17.74914  1.000 58.83985 ? 89  GLY A N   1 
ATOM   555  C  CA  . GLY A 1 71  ? 12.51153  16.87111 18.47010  1.000 58.29290 ? 89  GLY A CA  1 
ATOM   556  C  C   . GLY A 1 71  ? 11.32332  17.45341 17.74356  1.000 54.27211 ? 89  GLY A C   1 
ATOM   557  O  O   . GLY A 1 71  ? 10.82813  18.51184 18.14231  1.000 47.22065 ? 89  GLY A O   1 
ATOM   558  N  N   . SER A 1 72  ? 10.84000  16.78911 16.69667  1.000 50.17531 ? 90  SER A N   1 
ATOM   559  C  CA  . SER A 1 72  ? 9.72404   17.26859 15.90026  1.000 52.91370 ? 90  SER A CA  1 
ATOM   560  C  C   . SER A 1 72  ? 8.41957   16.64887 16.39405  1.000 57.04577 ? 90  SER A C   1 
ATOM   561  O  O   . SER A 1 72  ? 8.39767   15.80300 17.29213  1.000 53.11310 ? 90  SER A O   1 
ATOM   562  C  CB  . SER A 1 72  ? 9.95058   16.94897 14.42258  1.000 45.61904 ? 90  SER A CB  1 
ATOM   563  O  OG  . SER A 1 72  ? 10.00992  15.54806 14.21272  1.000 40.79369 ? 90  SER A OG  1 
ATOM   564  N  N   . ARG A 1 73  ? 7.31677   17.07785 15.78686  1.000 60.49510 ? 91  ARG A N   1 
ATOM   565  C  CA  . ARG A 1 73  ? 5.98806   16.57684 16.09950  1.000 56.71968 ? 91  ARG A CA  1 
ATOM   566  C  C   . ARG A 1 73  ? 5.44656   15.74376 14.94338  1.000 50.56926 ? 91  ARG A C   1 
ATOM   567  O  O   . ARG A 1 73  ? 5.91520   15.83257 13.80534  1.000 50.66423 ? 91  ARG A O   1 
ATOM   568  C  CB  . ARG A 1 73  ? 5.01034   17.72352 16.40027  1.000 50.27624 ? 91  ARG A CB  1 
ATOM   569  C  CG  . ARG A 1 73  ? 5.35844   18.61347 17.59911  1.000 55.57908 ? 91  ARG A CG  1 
ATOM   570  C  CD  . ARG A 1 73  ? 5.51897   17.82448 18.89593  1.000 64.70778 ? 91  ARG A CD  1 
ATOM   571  N  NE  . ARG A 1 73  ? 4.60386   16.69139 18.97307  1.000 93.18114 ? 91  ARG A NE  1 
ATOM   572  C  CZ  . ARG A 1 73  ? 3.38857   16.72886 19.50820  1.000 89.41584 ? 91  ARG A CZ  1 
ATOM   573  N  NH1 . ARG A 1 73  ? 2.89265   17.84046 20.03001  1.000 70.70357 ? 91  ARG A NH1 1 
ATOM   574  N  NH2 . ARG A 1 73  ? 2.64836   15.62362 19.50639  1.000 83.72463 ? 91  ARG A NH2 1 
ATOM   575  N  N   . ASN A 1 74  ? 4.43530   14.93024 15.25803  1.000 44.84571 ? 92  ASN A N   1 
ATOM   576  C  CA  . ASN A 1 74  ? 3.70928   14.12513 14.27674  1.000 45.69138 ? 92  ASN A CA  1 
ATOM   577  C  C   . ASN A 1 74  ? 2.21791   14.40859 14.47590  1.000 47.22777 ? 92  ASN A C   1 
ATOM   578  O  O   . ASN A 1 74  ? 1.45163   13.55150 14.92055  1.000 46.42519 ? 92  ASN A O   1 
ATOM   579  C  CB  . ASN A 1 74  ? 4.03898   12.63623 14.42807  1.000 41.11289 ? 92  ASN A CB  1 
ATOM   580  C  CG  . ASN A 1 74  ? 3.38409   11.77392 13.35949  1.000 46.98507 ? 92  ASN A CG  1 
ATOM   581  O  OD1 . ASN A 1 74  ? 2.90626   12.27553 12.34262  1.000 50.07388 ? 92  ASN A OD1 1 
ATOM   582  N  ND2 . ASN A 1 74  ? 3.36752   10.46541 13.58636  1.000 42.37676 ? 92  ASN A ND2 1 
ATOM   583  N  N   . LEU A 1 75  ? 1.81314   15.63923 14.15020  1.000 42.31492 ? 93  LEU A N   1 
ATOM   584  C  CA  . LEU A 1 75  ? 0.45814   16.08232 14.46479  1.000 50.07740 ? 93  LEU A CA  1 
ATOM   585  C  C   . LEU A 1 75  ? -0.58728  15.38612 13.60139  1.000 51.91050 ? 93  LEU A C   1 
ATOM   586  O  O   . LEU A 1 75  ? -1.73779  15.23470 14.02854  1.000 50.48366 ? 93  LEU A O   1 
ATOM   587  C  CB  . LEU A 1 75  ? 0.35805   17.60142 14.31464  1.000 47.06154 ? 93  LEU A CB  1 
ATOM   588  C  CG  . LEU A 1 75  ? 1.15303   18.41401 15.34365  1.000 43.79157 ? 93  LEU A CG  1 
ATOM   589  C  CD1 . LEU A 1 75  ? 1.35198   19.85210 14.88559  1.000 47.86982 ? 93  LEU A CD1 1 
ATOM   590  C  CD2 . LEU A 1 75  ? 0.46461   18.37590 16.70403  1.000 55.59806 ? 93  LEU A CD2 1 
ATOM   591  N  N   . CYS A 1 76  ? -0.21676  14.95777 12.39758  1.000 46.65309 ? 94  CYS A N   1 
ATOM   592  C  CA  . CYS A 1 76  ? -1.12211  14.21647 11.52911  1.000 39.82414 ? 94  CYS A CA  1 
ATOM   593  C  C   . CYS A 1 76  ? -1.05787  12.71087 11.75307  1.000 39.54497 ? 94  CYS A C   1 
ATOM   594  O  O   . CYS A 1 76  ? -1.85287  11.97782 11.15494  1.000 48.23681 ? 94  CYS A O   1 
ATOM   595  C  CB  . CYS A 1 76  ? -0.83063  14.54127 10.05981  1.000 44.87555 ? 94  CYS A CB  1 
ATOM   596  S  SG  . CYS A 1 76  ? -1.39104  16.18746 9.55916   1.000 44.23156 ? 94  CYS A SG  1 
ATOM   597  N  N   . ASN A 1 77  ? -0.13329  12.24049 12.59356  1.000 50.87765 ? 95  ASN A N   1 
ATOM   598  C  CA  . ASN A 1 77  ? -0.06745  10.83905 13.01448  1.000 47.14176 ? 95  ASN A CA  1 
ATOM   599  C  C   . ASN A 1 77  ? 0.06245   9.89605  11.81944  1.000 53.69869 ? 95  ASN A C   1 
ATOM   600  O  O   . ASN A 1 77  ? -0.68520  8.92622  11.67684  1.000 55.84349 ? 95  ASN A O   1 
ATOM   601  C  CB  . ASN A 1 77  ? -1.27955  10.47343 13.87282  1.000 54.86691 ? 95  ASN A CB  1 
ATOM   602  C  CG  . ASN A 1 77  ? -1.35166  11.28569 15.14739  1.000 78.71449 ? 95  ASN A CG  1 
ATOM   603  O  OD1 . ASN A 1 77  ? -0.34950  11.46453 15.84029  1.000 70.03228 ? 95  ASN A OD1 1 
ATOM   604  N  ND2 . ASN A 1 77  ? -2.53876  11.79171 15.46010  1.000 68.47544 ? 95  ASN A ND2 1 
ATOM   605  N  N   . ILE A 1 78  ? 1.03238   10.18573 10.95906  1.000 52.84753 ? 96  ILE A N   1 
ATOM   606  C  CA  . ILE A 1 78  ? 1.26473   9.39827  9.75146   1.000 60.34853 ? 96  ILE A CA  1 
ATOM   607  C  C   . ILE A 1 78  ? 2.75805   9.36888  9.45504   1.000 47.08622 ? 96  ILE A C   1 
ATOM   608  O  O   . ILE A 1 78  ? 3.47829   10.31481 9.80710   1.000 39.41298 ? 96  ILE A O   1 
ATOM   609  C  CB  . ILE A 1 78  ? 0.49407   9.96888  8.54986   1.000 44.82896 ? 96  ILE A CB  1 
ATOM   610  C  CG1 . ILE A 1 78  ? 0.62679   11.49340 8.51944   1.000 53.31828 ? 96  ILE A CG1 1 
ATOM   611  C  CG2 . ILE A 1 78  ? -0.96557  9.53031  8.57323   1.000 47.55917 ? 96  ILE A CG2 1 
ATOM   612  C  CD1 . ILE A 1 78  ? 0.28202   12.10982 7.18223   1.000 60.28858 ? 96  ILE A CD1 1 
ATOM   613  N  N   . PRO A 1 79  ? 3.26806   8.31231  8.82814   1.000 53.26507 ? 97  PRO A N   1 
ATOM   614  C  CA  . PRO A 1 79  ? 4.62135   8.37947  8.26914   1.000 44.13388 ? 97  PRO A CA  1 
ATOM   615  C  C   . PRO A 1 79  ? 4.65825   9.35073  7.10009   1.000 48.27561 ? 97  PRO A C   1 
ATOM   616  O  O   . PRO A 1 79  ? 3.70084   9.45592  6.32912   1.000 44.06197 ? 97  PRO A O   1 
ATOM   617  C  CB  . PRO A 1 79  ? 4.89593   6.94054  7.81358   1.000 50.59771 ? 97  PRO A CB  1 
ATOM   618  C  CG  . PRO A 1 79  ? 3.87377   6.09732  8.52256   1.000 52.17908 ? 97  PRO A CG  1 
ATOM   619  C  CD  . PRO A 1 79  ? 2.67329   6.97400  8.68274   1.000 42.93785 ? 97  PRO A CD  1 
ATOM   620  N  N   . CYS A 1 80  ? 5.77560   10.07352 6.98158   1.000 42.83457 ? 98  CYS A N   1 
ATOM   621  C  CA  . CYS A 1 80  ? 5.91325   11.04323 5.90186   1.000 42.02782 ? 98  CYS A CA  1 
ATOM   622  C  C   . CYS A 1 80  ? 5.88227   10.38087 4.53116   1.000 40.88597 ? 98  CYS A C   1 
ATOM   623  O  O   . CYS A 1 80  ? 5.54514   11.04178 3.54358   1.000 48.49922 ? 98  CYS A O   1 
ATOM   624  C  CB  . CYS A 1 80  ? 7.20778   11.84026 6.06579   1.000 34.69013 ? 98  CYS A CB  1 
ATOM   625  S  SG  . CYS A 1 80  ? 7.32833   12.79737 7.59038   1.000 42.89861 ? 98  CYS A SG  1 
ATOM   626  N  N   . SER A 1 81  ? 6.23017   9.09393  4.44720   1.000 42.58728 ? 99  SER A N   1 
ATOM   627  C  CA  . SER A 1 81  ? 6.17303   8.38906  3.17135   1.000 42.24580 ? 99  SER A CA  1 
ATOM   628  C  C   . SER A 1 81  ? 4.73819   8.21234  2.69171   1.000 40.73605 ? 99  SER A C   1 
ATOM   629  O  O   . SER A 1 81  ? 4.50418   8.06207  1.48714   1.000 47.79735 ? 99  SER A O   1 
ATOM   630  C  CB  . SER A 1 81  ? 6.86742   7.03307  3.29384   1.000 53.40040 ? 99  SER A CB  1 
ATOM   631  O  OG  . SER A 1 81  ? 6.23315   6.23473  4.27422   1.000 48.97889 ? 99  SER A OG  1 
ATOM   632  N  N   . ALA A 1 82  ? 3.76936   8.22266  3.61165   1.000 39.75061 ? 100 ALA A N   1 
ATOM   633  C  CA  . ALA A 1 82  ? 2.37011   8.14009  3.21357   1.000 43.18957 ? 100 ALA A CA  1 
ATOM   634  C  C   . ALA A 1 82  ? 1.92934   9.36735  2.43141   1.000 47.37869 ? 100 ALA A C   1 
ATOM   635  O  O   . ALA A 1 82  ? 0.93705   9.29900  1.69822   1.000 48.02297 ? 100 ALA A O   1 
ATOM   636  C  CB  . ALA A 1 82  ? 1.48207   7.95433  4.44277   1.000 40.57392 ? 100 ALA A CB  1 
ATOM   637  N  N   . LEU A 1 83  ? 2.64680   10.48320 2.56867   1.000 45.46799 ? 101 LEU A N   1 
ATOM   638  C  CA  . LEU A 1 83  ? 2.36648   11.68849 1.80163   1.000 44.46828 ? 101 LEU A CA  1 
ATOM   639  C  C   . LEU A 1 83  ? 2.89378   11.61784 0.37593   1.000 52.24195 ? 101 LEU A C   1 
ATOM   640  O  O   . LEU A 1 83  ? 2.52329   12.46313 -0.44535  1.000 54.91215 ? 101 LEU A O   1 
ATOM   641  C  CB  . LEU A 1 83  ? 2.96456   12.90749 2.50774   1.000 45.20398 ? 101 LEU A CB  1 
ATOM   642  C  CG  . LEU A 1 83  ? 2.43338   13.17661 3.91617   1.000 47.68437 ? 101 LEU A CG  1 
ATOM   643  C  CD1 . LEU A 1 83  ? 3.19723   14.31397 4.57398   1.000 35.33952 ? 101 LEU A CD1 1 
ATOM   644  C  CD2 . LEU A 1 83  ? 0.94661   13.48179 3.86997   1.000 43.22222 ? 101 LEU A CD2 1 
ATOM   645  N  N   . LEU A 1 84  ? 3.74469   10.64327 0.06498   1.000 48.18150 ? 102 LEU A N   1 
ATOM   646  C  CA  . LEU A 1 84  ? 4.29111   10.48318 -1.27479  1.000 45.54851 ? 102 LEU A CA  1 
ATOM   647  C  C   . LEU A 1 84  ? 3.48299   9.52154  -2.13302  1.000 55.27034 ? 102 LEU A C   1 
ATOM   648  O  O   . LEU A 1 84  ? 3.87666   9.25097  -3.27215  1.000 73.60162 ? 102 LEU A O   1 
ATOM   649  C  CB  . LEU A 1 84  ? 5.74291   9.99955  -1.20249  1.000 40.51802 ? 102 LEU A CB  1 
ATOM   650  C  CG  . LEU A 1 84  ? 6.73280   10.87207 -0.43131  1.000 47.96544 ? 102 LEU A CG  1 
ATOM   651  C  CD1 . LEU A 1 84  ? 8.15414   10.43873 -0.72924  1.000 47.09772 ? 102 LEU A CD1 1 
ATOM   652  C  CD2 . LEU A 1 84  ? 6.54149   12.33510 -0.77290  1.000 47.34074 ? 102 LEU A CD2 1 
ATOM   653  N  N   . SER A 1 85  ? 2.37444   8.99930  -1.61893  1.000 47.65420 ? 103 SER A N   1 
ATOM   654  C  CA  . SER A 1 85  ? 1.57601   8.04920  -2.37354  1.000 39.84816 ? 103 SER A CA  1 
ATOM   655  C  C   . SER A 1 85  ? 0.83824   8.74557  -3.51396  1.000 47.08655 ? 103 SER A C   1 
ATOM   656  O  O   . SER A 1 85  ? 0.58114   9.95254  -3.48251  1.000 51.14072 ? 103 SER A O   1 
ATOM   657  C  CB  . SER A 1 85  ? 0.57466   7.34801  -1.45707  1.000 42.95874 ? 103 SER A CB  1 
ATOM   658  O  OG  . SER A 1 85  ? -0.32038  6.54658  -2.20638  1.000 55.46207 ? 103 SER A OG  1 
ATOM   659  N  N   . SER A 1 86  ? 0.50008   7.95963  -4.53991  1.000 48.07091 ? 104 SER A N   1 
ATOM   660  C  CA  . SER A 1 86  ? -0.33161  8.47016  -5.62316  1.000 50.16342 ? 104 SER A CA  1 
ATOM   661  C  C   . SER A 1 86  ? -1.75566  8.75007  -5.16334  1.000 39.07630 ? 104 SER A C   1 
ATOM   662  O  O   . SER A 1 86  ? -2.48050  9.48871  -5.83994  1.000 44.50298 ? 104 SER A O   1 
ATOM   663  C  CB  . SER A 1 86  ? -0.33663  7.48484  -6.79277  1.000 48.56127 ? 104 SER A CB  1 
ATOM   664  O  OG  . SER A 1 86  ? -0.63645  6.17104  -6.35245  1.000 64.17168 ? 104 SER A OG  1 
ATOM   665  N  N   . ASP A 1 87  ? -2.16922  8.16949  -4.03921  1.000 43.55805 ? 105 ASP A N   1 
ATOM   666  C  CA  . ASP A 1 87  ? -3.42880  8.51150  -3.39320  1.000 49.80171 ? 105 ASP A CA  1 
ATOM   667  C  C   . ASP A 1 87  ? -3.18968  9.70743  -2.47846  1.000 53.88948 ? 105 ASP A C   1 
ATOM   668  O  O   . ASP A 1 87  ? -2.40952  9.61739  -1.52390  1.000 52.10172 ? 105 ASP A O   1 
ATOM   669  C  CB  . ASP A 1 87  ? -3.96917  7.31899  -2.60484  1.000 52.27916 ? 105 ASP A CB  1 
ATOM   670  C  CG  . ASP A 1 87  ? -5.36613  7.55651  -2.05886  1.000 53.97440 ? 105 ASP A CG  1 
ATOM   671  O  OD1 . ASP A 1 87  ? -5.95983  8.61655  -2.34984  1.000 73.99015 ? 105 ASP A OD1 1 
ATOM   672  O  OD2 . ASP A 1 87  ? -5.87406  6.67248  -1.33642  1.000 69.40021 ? 105 ASP A OD2 1 
ATOM   673  N  N   . ILE A 1 88  ? -3.85952  10.82193 -2.77093  1.000 49.83953 ? 106 ILE A N   1 
ATOM   674  C  CA  . ILE A 1 88  ? -3.63670  12.07703 -2.05982  1.000 50.10373 ? 106 ILE A CA  1 
ATOM   675  C  C   . ILE A 1 88  ? -4.51534  12.15268 -0.81950  1.000 45.44380 ? 106 ILE A C   1 
ATOM   676  O  O   . ILE A 1 88  ? -4.66786  13.22503 -0.22443  1.000 45.18422 ? 106 ILE A O   1 
ATOM   677  C  CB  . ILE A 1 88  ? -3.90617  13.28726 -2.97106  1.000 43.65831 ? 106 ILE A CB  1 
ATOM   678  C  CG1 . ILE A 1 88  ? -5.38209  13.31689 -3.37677  1.000 53.86476 ? 106 ILE A CG1 1 
ATOM   679  C  CG2 . ILE A 1 88  ? -3.00226  13.25101 -4.19182  1.000 41.05003 ? 106 ILE A CG2 1 
ATOM   680  C  CD1 . ILE A 1 88  ? -5.80486  14.60188 -4.05556  1.000 53.00257 ? 106 ILE A CD1 1 
ATOM   681  N  N   . THR A 1 89  ? -5.10811  11.02380 -0.42563  1.000 42.79320 ? 107 THR A N   1 
ATOM   682  C  CA  . THR A 1 89  ? -6.00053  11.03112 0.72970   1.000 50.81361 ? 107 THR A CA  1 
ATOM   683  C  C   . THR A 1 89  ? -5.25924  11.43817 1.99740   1.000 43.27818 ? 107 THR A C   1 
ATOM   684  O  O   . THR A 1 89  ? -5.76454  12.24112 2.79143   1.000 47.20533 ? 107 THR A O   1 
ATOM   685  C  CB  . THR A 1 89  ? -6.64944  9.65775  0.90280   1.000 54.80212 ? 107 THR A CB  1 
ATOM   686  O  OG1 . THR A 1 89  ? -7.40254  9.33491  -0.27299  1.000 56.09316 ? 107 THR A OG1 1 
ATOM   687  C  CG2 . THR A 1 89  ? -7.57879  9.65588  2.10849   1.000 41.05735 ? 107 THR A CG2 1 
ATOM   688  N  N   . ALA A 1 90  ? -4.05262  10.90507 2.19731   1.000 46.38076 ? 108 ALA A N   1 
ATOM   689  C  CA  . ALA A 1 90  ? -3.28382  11.24562 3.38937   1.000 46.76565 ? 108 ALA A CA  1 
ATOM   690  C  C   . ALA A 1 90  ? -2.85079  12.70577 3.37112   1.000 46.17908 ? 108 ALA A C   1 
ATOM   691  O  O   . ALA A 1 90  ? -2.88317  13.38062 4.40671   1.000 50.87096 ? 108 ALA A O   1 
ATOM   692  C  CB  . ALA A 1 90  ? -2.06916  10.32702 3.51098   1.000 38.08869 ? 108 ALA A CB  1 
ATOM   693  N  N   . SER A 1 91  ? -2.44322  13.21191 2.20441   1.000 44.31431 ? 109 SER A N   1 
ATOM   694  C  CA  . SER A 1 91  ? -2.02866  14.60778 2.11282   1.000 37.54837 ? 109 SER A CA  1 
ATOM   695  C  C   . SER A 1 91  ? -3.20889  15.55642 2.26810   1.000 48.52598 ? 109 SER A C   1 
ATOM   696  O  O   . SER A 1 91  ? -3.05133  16.65412 2.81453   1.000 40.65185 ? 109 SER A O   1 
ATOM   697  C  CB  . SER A 1 91  ? -1.31801  14.86277 0.78349   1.000 43.36347 ? 109 SER A CB  1 
ATOM   698  O  OG  . SER A 1 91  ? -0.13003  14.09687 0.68224   1.000 53.25864 ? 109 SER A OG  1 
ATOM   699  N  N   . VAL A 1 92  ? -4.39147  15.15698 1.79862   1.000 47.42913 ? 110 VAL A N   1 
ATOM   700  C  CA  . VAL A 1 92  ? -5.56252  16.02125 1.90968   1.000 41.24298 ? 110 VAL A CA  1 
ATOM   701  C  C   . VAL A 1 92  ? -6.03574  16.09539 3.35683   1.000 39.68220 ? 110 VAL A C   1 
ATOM   702  O  O   . VAL A 1 92  ? -6.27428  17.18410 3.89299   1.000 48.01372 ? 110 VAL A O   1 
ATOM   703  C  CB  . VAL A 1 92  ? -6.68270  15.53478 0.97289   1.000 39.05203 ? 110 VAL A CB  1 
ATOM   704  C  CG1 . VAL A 1 92  ? -8.00970  16.14842 1.38165   1.000 53.82010 ? 110 VAL A CG1 1 
ATOM   705  C  CG2 . VAL A 1 92  ? -6.35629  15.88343 -0.47783  1.000 43.25880 ? 110 VAL A CG2 1 
ATOM   706  N  N   . ASN A 1 93  ? -6.17973  14.93897 4.01025   1.000 38.94837 ? 111 ASN A N   1 
ATOM   707  C  CA  . ASN A 1 93  ? -6.64486  14.92541 5.39467   1.000 50.96727 ? 111 ASN A CA  1 
ATOM   708  C  C   . ASN A 1 93  ? -5.67870  15.66378 6.31198   1.000 43.25363 ? 111 ASN A C   1 
ATOM   709  O  O   . ASN A 1 93  ? -6.10230  16.34316 7.25436   1.000 46.23110 ? 111 ASN A O   1 
ATOM   710  C  CB  . ASN A 1 93  ? -6.83971  13.48698 5.87324   1.000 51.20447 ? 111 ASN A CB  1 
ATOM   711  C  CG  . ASN A 1 93  ? -7.89074  12.74671 5.07546   1.000 44.44960 ? 111 ASN A CG  1 
ATOM   712  O  OD1 . ASN A 1 93  ? -8.74227  13.35950 4.43105   1.000 56.84258 ? 111 ASN A OD1 1 
ATOM   713  N  ND2 . ASN A 1 93  ? -7.84033  11.42054 5.11698   1.000 67.38873 ? 111 ASN A ND2 1 
ATOM   714  N  N   . CYS A 1 94  ? -4.37545  15.54118 6.05571   1.000 38.46066 ? 112 CYS A N   1 
ATOM   715  C  CA  . CYS A 1 94  ? -3.40035  16.26355 6.86506   1.000 40.84158 ? 112 CYS A CA  1 
ATOM   716  C  C   . CYS A 1 94  ? -3.44385  17.75785 6.57112   1.000 38.35389 ? 112 CYS A C   1 
ATOM   717  O  O   . CYS A 1 94  ? -3.26508  18.58007 7.47730   1.000 37.75881 ? 112 CYS A O   1 
ATOM   718  C  CB  . CYS A 1 94  ? -1.99971  15.70086 6.62230   1.000 35.37496 ? 112 CYS A CB  1 
ATOM   719  S  SG  . CYS A 1 94  ? -0.69754  16.41611 7.66279   1.000 45.69067 ? 112 CYS A SG  1 
ATOM   720  N  N   . ALA A 1 95  ? -3.68673  18.12740 5.31059   1.000 45.10561 ? 113 ALA A N   1 
ATOM   721  C  CA  . ALA A 1 95  ? -3.78877  19.54035 4.96262   1.000 39.64285 ? 113 ALA A CA  1 
ATOM   722  C  C   . ALA A 1 95  ? -5.00601  20.18948 5.60630   1.000 48.12237 ? 113 ALA A C   1 
ATOM   723  O  O   . ALA A 1 95  ? -4.98025  21.38743 5.91050   1.000 45.84491 ? 113 ALA A O   1 
ATOM   724  C  CB  . ALA A 1 95  ? -3.84119  19.70975 3.44513   1.000 32.73297 ? 113 ALA A CB  1 
ATOM   725  N  N   . LYS A 1 96  ? -6.07852  19.42253 5.81647   1.000 42.98140 ? 114 LYS A N   1 
ATOM   726  C  CA  . LYS A 1 96  ? -7.25546  19.96876 6.48544   1.000 42.41861 ? 114 LYS A CA  1 
ATOM   727  C  C   . LYS A 1 96  ? -6.94283  20.34205 7.92838   1.000 41.64532 ? 114 LYS A C   1 
ATOM   728  O  O   . LYS A 1 96  ? -7.47288  21.33051 8.45076   1.000 47.56122 ? 114 LYS A O   1 
ATOM   729  C  CB  . LYS A 1 96  ? -8.40559  18.96443 6.42784   1.000 44.64441 ? 114 LYS A CB  1 
ATOM   730  C  CG  . LYS A 1 96  ? -8.93842  18.71228 5.03120   1.000 37.27312 ? 114 LYS A CG  1 
ATOM   731  C  CD  . LYS A 1 96  ? -10.04818 17.67724 5.05161   1.000 46.54794 ? 114 LYS A CD  1 
ATOM   732  C  CE  . LYS A 1 96  ? -10.62767 17.47122 3.66447   1.000 47.34824 ? 114 LYS A CE  1 
ATOM   733  N  NZ  . LYS A 1 96  ? -11.67748 16.41734 3.65101   1.000 49.64093 ? 114 LYS A NZ  1 
ATOM   734  N  N   . LYS A 1 97  ? -6.08538  19.56279 8.58970   1.000 38.69195 ? 115 LYS A N   1 
ATOM   735  C  CA  . LYS A 1 97  ? -5.69347  19.88472 9.95629   1.000 38.17777 ? 115 LYS A CA  1 
ATOM   736  C  C   . LYS A 1 97  ? -4.70166  21.03998 9.99408   1.000 43.00666 ? 115 LYS A C   1 
ATOM   737  O  O   . LYS A 1 97  ? -4.72924  21.85518 10.92214  1.000 50.26517 ? 115 LYS A O   1 
ATOM   738  C  CB  . LYS A 1 97  ? -5.10248  18.65069 10.63852  1.000 34.48988 ? 115 LYS A CB  1 
ATOM   739  N  N   . ILE A 1 98  ? -3.82208  21.12716 8.99200   1.000 40.55972 ? 116 ILE A N   1 
ATOM   740  C  CA  . ILE A 1 98  ? -2.84771  22.21268 8.94601   1.000 38.30730 ? 116 ILE A CA  1 
ATOM   741  C  C   . ILE A 1 98  ? -3.54289  23.54566 8.70369   1.000 37.72604 ? 116 ILE A C   1 
ATOM   742  O  O   . ILE A 1 98  ? -3.24968  24.54906 9.36189   1.000 40.47352 ? 116 ILE A O   1 
ATOM   743  C  CB  . ILE A 1 98  ? -1.78279  21.93741 7.86920   1.000 39.42755 ? 116 ILE A CB  1 
ATOM   744  C  CG1 . ILE A 1 98  ? -1.05158  20.62466 8.15006   1.000 40.62678 ? 116 ILE A CG1 1 
ATOM   745  C  CG2 . ILE A 1 98  ? -0.79845  23.09685 7.79399   1.000 41.72290 ? 116 ILE A CG2 1 
ATOM   746  C  CD1 . ILE A 1 98  ? 0.00696   20.29737 7.12051   1.000 45.38047 ? 116 ILE A CD1 1 
ATOM   747  N  N   . VAL A 1 99  ? -4.47871  23.57739 7.75009   1.000 39.53019 ? 117 VAL A N   1 
ATOM   748  C  CA  . VAL A 1 99  ? -5.17753  24.81386 7.42146   1.000 41.59827 ? 117 VAL A CA  1 
ATOM   749  C  C   . VAL A 1 99  ? -6.14089  25.24680 8.51560   1.000 54.50152 ? 117 VAL A C   1 
ATOM   750  O  O   . VAL A 1 99  ? -6.68070  26.35691 8.45111   1.000 47.85592 ? 117 VAL A O   1 
ATOM   751  C  CB  . VAL A 1 99  ? -5.92830  24.65571 6.08149   1.000 40.22040 ? 117 VAL A CB  1 
ATOM   752  C  CG1 . VAL A 1 99  ? -7.25538  23.94877 6.29680   1.000 44.02406 ? 117 VAL A CG1 1 
ATOM   753  C  CG2 . VAL A 1 99  ? -6.12173  26.00477 5.39193   1.000 44.40524 ? 117 VAL A CG2 1 
ATOM   754  N  N   . SER A 1 100 ? -6.35842  24.40914 9.52870   1.000 47.85498 ? 118 SER A N   1 
ATOM   755  C  CA  . SER A 1 100 ? -7.31739  24.69273 10.58716  1.000 49.24575 ? 118 SER A CA  1 
ATOM   756  C  C   . SER A 1 100 ? -6.66423  25.13775 11.88975  1.000 51.49268 ? 118 SER A C   1 
ATOM   757  O  O   . SER A 1 100 ? -7.37942  25.43866 12.85051  1.000 55.98241 ? 118 SER A O   1 
ATOM   758  C  CB  . SER A 1 100 ? -8.19002  23.45940 10.84791  1.000 41.35573 ? 118 SER A CB  1 
ATOM   759  O  OG  . SER A 1 100 ? -8.78378  22.99222 9.64914   1.000 54.72772 ? 118 SER A OG  1 
ATOM   760  N  N   . ASP A 1 101 ? -5.33410  25.19220 11.95145  1.000 53.09024 ? 119 ASP A N   1 
ATOM   761  C  CA  . ASP A 1 101 ? -4.64847  25.52264 13.19566  1.000 51.48800 ? 119 ASP A CA  1 
ATOM   762  C  C   . ASP A 1 101 ? -4.53497  27.02454 13.44173  1.000 59.35012 ? 119 ASP A C   1 
ATOM   763  O  O   . ASP A 1 101 ? -3.88418  27.42700 14.41210  1.000 58.83180 ? 119 ASP A O   1 
ATOM   764  C  CB  . ASP A 1 101 ? -3.25579  24.87975 13.22489  1.000 50.98274 ? 119 ASP A CB  1 
ATOM   765  C  CG  . ASP A 1 101 ? -2.31252  25.44936 12.17503  1.000 64.69189 ? 119 ASP A CG  1 
ATOM   766  O  OD1 . ASP A 1 101 ? -2.72862  26.31694 11.37833  1.000 63.31036 ? 119 ASP A OD1 1 
ATOM   767  O  OD2 . ASP A 1 101 ? -1.13936  25.02051 12.14875  1.000 64.90012 ? 119 ASP A OD2 1 
ATOM   768  N  N   . GLY A 1 102 ? -5.13467  27.85646 12.59334  1.000 53.16303 ? 120 GLY A N   1 
ATOM   769  C  CA  . GLY A 1 102 ? -5.11652  29.28794 12.82064  1.000 49.92991 ? 120 GLY A CA  1 
ATOM   770  C  C   . GLY A 1 102 ? -4.55960  30.11521 11.67943  1.000 53.59819 ? 120 GLY A C   1 
ATOM   771  O  O   . GLY A 1 102 ? -5.12580  31.15696 11.33590  1.000 52.84484 ? 120 GLY A O   1 
ATOM   772  N  N   . ASN A 1 103 ? -3.45024  29.67198 11.08452  1.000 43.32113 ? 121 ASN A N   1 
ATOM   773  C  CA  . ASN A 1 103 ? -2.79141  30.44702 10.03908  1.000 50.76708 ? 121 ASN A CA  1 
ATOM   774  C  C   . ASN A 1 103 ? -3.40850  30.25540 8.65997   1.000 38.73333 ? 121 ASN A C   1 
ATOM   775  O  O   . ASN A 1 103 ? -3.02710  30.97368 7.72944   1.000 47.30109 ? 121 ASN A O   1 
ATOM   776  C  CB  . ASN A 1 103 ? -1.30104  30.09816 9.97410   1.000 55.29685 ? 121 ASN A CB  1 
ATOM   777  C  CG  . ASN A 1 103 ? -0.49291  30.78600 11.05599  1.000 61.26519 ? 121 ASN A CG  1 
ATOM   778  O  OD1 . ASN A 1 103 ? -0.94242  30.91681 12.19450  1.000 62.09305 ? 121 ASN A OD1 1 
ATOM   779  N  ND2 . ASN A 1 103 ? 0.70489   31.24060 10.70131  1.000 78.55768 ? 121 ASN A ND2 1 
ATOM   780  N  N   . GLY A 1 104 ? -4.34337  29.32016 8.50099   1.000 35.48982 ? 122 GLY A N   1 
ATOM   781  C  CA  . GLY A 1 104 ? -4.91070  29.09194 7.18629   1.000 38.39274 ? 122 GLY A CA  1 
ATOM   782  C  C   . GLY A 1 104 ? -3.88505  28.51343 6.22489   1.000 33.41877 ? 122 GLY A C   1 
ATOM   783  O  O   . GLY A 1 104 ? -2.99506  27.74638 6.60458   1.000 41.61067 ? 122 GLY A O   1 
ATOM   784  N  N   . MET A 1 105 ? -4.01136  28.89574 4.95335   1.000 40.71602 ? 123 MET A N   1 
ATOM   785  C  CA  . MET A 1 105 ? -3.08489  28.44085 3.92353   1.000 37.16241 ? 123 MET A CA  1 
ATOM   786  C  C   . MET A 1 105 ? -1.76757  29.20606 3.92582   1.000 43.94130 ? 123 MET A C   1 
ATOM   787  O  O   . MET A 1 105 ? -0.90944  28.92561 3.08201   1.000 38.52059 ? 123 MET A O   1 
ATOM   788  C  CB  . MET A 1 105 ? -3.73636  28.53432 2.53836   1.000 39.57732 ? 123 MET A CB  1 
ATOM   789  C  CG  . MET A 1 105 ? -4.88466  27.54989 2.32564   1.000 39.53273 ? 123 MET A CG  1 
ATOM   790  S  SD  . MET A 1 105 ? -5.36626  27.34655 0.59693   1.000 45.13332 ? 123 MET A SD  1 
ATOM   791  C  CE  . MET A 1 105 ? -3.89648  26.57148 -0.07424  1.000 35.32015 ? 123 MET A CE  1 
ATOM   792  N  N   . ASN A 1 106 ? -1.58034  30.15579 4.84589   1.000 33.42476 ? 124 ASN A N   1 
ATOM   793  C  CA  . ASN A 1 106 ? -0.28987  30.82158 4.97427   1.000 46.52888 ? 124 ASN A CA  1 
ATOM   794  C  C   . ASN A 1 106 ? 0.80709   29.87842 5.44798   1.000 40.72204 ? 124 ASN A C   1 
ATOM   795  O  O   . ASN A 1 106 ? 1.98783   30.23066 5.35003   1.000 37.36070 ? 124 ASN A O   1 
ATOM   796  C  CB  . ASN A 1 106 ? -0.39920  32.01240 5.92885   1.000 38.37488 ? 124 ASN A CB  1 
ATOM   797  C  CG  . ASN A 1 106 ? -1.28980  33.11337 5.38663   1.000 42.95329 ? 124 ASN A CG  1 
ATOM   798  O  OD1 . ASN A 1 106 ? -0.89585  33.86237 4.49258   1.000 41.82490 ? 124 ASN A OD1 1 
ATOM   799  N  ND2 . ASN A 1 106 ? -2.49595  33.22025 5.92969   1.000 43.87056 ? 124 ASN A ND2 1 
ATOM   800  N  N   . ALA A 1 107 ? 0.44731   28.69660 5.95703   1.000 33.25899 ? 125 ALA A N   1 
ATOM   801  C  CA  . ALA A 1 107 ? 1.44573   27.69506 6.30717   1.000 32.72913 ? 125 ALA A CA  1 
ATOM   802  C  C   . ALA A 1 107 ? 2.22057   27.21288 5.08958   1.000 37.63721 ? 125 ALA A C   1 
ATOM   803  O  O   . ALA A 1 107 ? 3.35242   26.74078 5.23402   1.000 44.24478 ? 125 ALA A O   1 
ATOM   804  C  CB  . ALA A 1 107 ? 0.78049   26.50847 7.00438   1.000 37.86620 ? 125 ALA A CB  1 
ATOM   805  N  N   . TRP A 1 108 ? 1.63510   27.31528 3.89991   1.000 35.65594 ? 126 TRP A N   1 
ATOM   806  C  CA  . TRP A 1 108 ? 2.33119   26.99964 2.65779   1.000 29.86325 ? 126 TRP A CA  1 
ATOM   807  C  C   . TRP A 1 108 ? 2.96199   28.28136 2.12671   1.000 36.74385 ? 126 TRP A C   1 
ATOM   808  O  O   . TRP A 1 108 ? 2.25610   29.20767 1.71478   1.000 43.26260 ? 126 TRP A O   1 
ATOM   809  C  CB  . TRP A 1 108 ? 1.36971   26.38374 1.64396   1.000 37.69541 ? 126 TRP A CB  1 
ATOM   810  C  CG  . TRP A 1 108 ? 0.93129   24.99538 2.00874   1.000 29.13668 ? 126 TRP A CG  1 
ATOM   811  C  CD1 . TRP A 1 108 ? 1.58697   23.83273 1.73154   1.000 32.18464 ? 126 TRP A CD1 1 
ATOM   812  C  CD2 . TRP A 1 108 ? -0.25795  24.62512 2.71869   1.000 35.17198 ? 126 TRP A CD2 1 
ATOM   813  N  NE1 . TRP A 1 108 ? 0.88150   22.76111 2.22198   1.000 38.52117 ? 126 TRP A NE1 1 
ATOM   814  C  CE2 . TRP A 1 108 ? -0.25553  23.22044 2.83242   1.000 37.58037 ? 126 TRP A CE2 1 
ATOM   815  C  CE3 . TRP A 1 108 ? -1.32360  25.34393 3.26800   1.000 27.56212 ? 126 TRP A CE3 1 
ATOM   816  C  CZ2 . TRP A 1 108 ? -1.27634  22.52111 3.47215   1.000 36.04540 ? 126 TRP A CZ2 1 
ATOM   817  C  CZ3 . TRP A 1 108 ? -2.33648  24.64724 3.90339   1.000 43.58402 ? 126 TRP A CZ3 1 
ATOM   818  C  CH2 . TRP A 1 108 ? -2.30548  23.25071 3.99972   1.000 28.36057 ? 126 TRP A CH2 1 
ATOM   819  N  N   . VAL A 1 109 ? 4.29864   28.33383 2.14322   1.000 51.19639 ? 127 VAL A N   1 
ATOM   820  C  CA  . VAL A 1 109 ? 5.00308   29.54709 1.73390   1.000 43.96366 ? 127 VAL A CA  1 
ATOM   821  C  C   . VAL A 1 109 ? 4.75636   29.83272 0.25656   1.000 41.93990 ? 127 VAL A C   1 
ATOM   822  O  O   . VAL A 1 109 ? 4.64802   30.99564 -0.15821  1.000 39.17089 ? 127 VAL A O   1 
ATOM   823  C  CB  . VAL A 1 109 ? 6.50695   29.42376 2.05374   1.000 47.40212 ? 127 VAL A CB  1 
ATOM   824  C  CG1 . VAL A 1 109 ? 7.09274   28.15711 1.43765   1.000 62.29755 ? 127 VAL A CG1 1 
ATOM   825  C  CG2 . VAL A 1 109 ? 7.25817   30.65759 1.57649   1.000 54.90972 ? 127 VAL A CG2 1 
ATOM   826  N  N   . ALA A 1 110 ? 4.65080   28.78227 -0.55775  1.000 44.10753 ? 128 ALA A N   1 
ATOM   827  C  CA  . ALA A 1 110 ? 4.42343   28.97766 -1.98675  1.000 47.14374 ? 128 ALA A CA  1 
ATOM   828  C  C   . ALA A 1 110 ? 3.05536   29.59078 -2.25242  1.000 44.74000 ? 128 ALA A C   1 
ATOM   829  O  O   . ALA A 1 110 ? 2.89906   30.39267 -3.18201  1.000 44.27770 ? 128 ALA A O   1 
ATOM   830  C  CB  . ALA A 1 110 ? 4.56552   27.65237 -2.73197  1.000 43.30813 ? 128 ALA A CB  1 
ATOM   831  N  N   . TRP A 1 111 ? 2.04983   29.22427 -1.45603  1.000 39.65597 ? 129 TRP A N   1 
ATOM   832  C  CA  . TRP A 1 111 ? 0.72941   29.81801 -1.62995  1.000 34.60198 ? 129 TRP A CA  1 
ATOM   833  C  C   . TRP A 1 111 ? 0.72515   31.28288 -1.20992  1.000 37.04664 ? 129 TRP A C   1 
ATOM   834  O  O   . TRP A 1 111 ? 0.09935   32.11985 -1.86984  1.000 38.32280 ? 129 TRP A O   1 
ATOM   835  C  CB  . TRP A 1 111 ? -0.31732  29.02685 -0.84401  1.000 40.65035 ? 129 TRP A CB  1 
ATOM   836  C  CG  . TRP A 1 111 ? -1.69026  29.62386 -0.91642  1.000 35.22123 ? 129 TRP A CG  1 
ATOM   837  C  CD1 . TRP A 1 111 ? -2.66181  29.34209 -1.83261  1.000 39.76128 ? 129 TRP A CD1 1 
ATOM   838  C  CD2 . TRP A 1 111 ? -2.24112  30.61198 -0.03876  1.000 40.49890 ? 129 TRP A CD2 1 
ATOM   839  N  NE1 . TRP A 1 111 ? -3.78371  30.09331 -1.57829  1.000 45.11932 ? 129 TRP A NE1 1 
ATOM   840  C  CE2 . TRP A 1 111 ? -3.55069  30.88112 -0.48154  1.000 36.27538 ? 129 TRP A CE2 1 
ATOM   841  C  CE3 . TRP A 1 111 ? -1.75333  31.29533 1.07930   1.000 46.70687 ? 129 TRP A CE3 1 
ATOM   842  C  CZ2 . TRP A 1 111 ? -4.37861  31.80327 0.15497   1.000 40.23404 ? 129 TRP A CZ2 1 
ATOM   843  C  CZ3 . TRP A 1 111 ? -2.57603  32.20938 1.70961   1.000 40.89197 ? 129 TRP A CZ3 1 
ATOM   844  C  CH2 . TRP A 1 111 ? -3.87365  32.45562 1.24624   1.000 31.81633 ? 129 TRP A CH2 1 
ATOM   845  N  N   . ARG A 1 112 ? 1.42197   31.61263 -0.11770  1.000 34.86924 ? 130 ARG A N   1 
ATOM   846  C  CA  . ARG A 1 112 ? 1.46352   32.99722 0.34501   1.000 45.76464 ? 130 ARG A CA  1 
ATOM   847  C  C   . ARG A 1 112 ? 2.13277   33.90758 -0.67658  1.000 48.96792 ? 130 ARG A C   1 
ATOM   848  O  O   . ARG A 1 112 ? 1.68239   35.03688 -0.90152  1.000 47.85852 ? 130 ARG A O   1 
ATOM   849  C  CB  . ARG A 1 112 ? 2.19077   33.08519 1.68842   1.000 41.03432 ? 130 ARG A CB  1 
ATOM   850  C  CG  . ARG A 1 112 ? 2.40802   34.51459 2.17824   1.000 55.83499 ? 130 ARG A CG  1 
ATOM   851  C  CD  . ARG A 1 112 ? 2.95916   34.57646 3.60227   1.000 71.66874 ? 130 ARG A CD  1 
ATOM   852  N  NE  . ARG A 1 112 ? 4.35993   34.17943 3.70068   1.000 75.52028 ? 130 ARG A NE  1 
ATOM   853  C  CZ  . ARG A 1 112 ? 4.78377   33.05928 4.27097   1.000 70.39489 ? 130 ARG A CZ  1 
ATOM   854  N  NH1 . ARG A 1 112 ? 3.93697   32.18101 4.78277   1.000 58.93586 ? 130 ARG A NH1 1 
ATOM   855  N  NH2 . ARG A 1 112 ? 6.09064   32.82030 4.34120   1.000 53.29851 ? 130 ARG A NH2 1 
ATOM   856  N  N   . ASN A 1 113 ? 3.19690   33.42986 -1.31920  1.000 41.75795 ? 131 ASN A N   1 
ATOM   857  C  CA  . ASN A 1 113 ? 3.99786   34.27960 -2.18877  1.000 50.99517 ? 131 ASN A CA  1 
ATOM   858  C  C   . ASN A 1 113 ? 3.58926   34.21947 -3.65385  1.000 50.99456 ? 131 ASN A C   1 
ATOM   859  O  O   . ASN A 1 113 ? 3.93699   35.13203 -4.41193  1.000 48.91681 ? 131 ASN A O   1 
ATOM   860  C  CB  . ASN A 1 113 ? 5.47707   33.90463 -2.06828  1.000 38.67380 ? 131 ASN A CB  1 
ATOM   861  C  CG  . ASN A 1 113 ? 6.03158   34.16637 -0.68498  1.000 39.91414 ? 131 ASN A CG  1 
ATOM   862  O  OD1 . ASN A 1 113 ? 5.56271   35.05330 0.02724   1.000 44.80686 ? 131 ASN A OD1 1 
ATOM   863  N  ND2 . ASN A 1 113 ? 7.03744   33.39378 -0.29658  1.000 42.36492 ? 131 ASN A ND2 1 
ATOM   864  N  N   . ARG A 1 114 ? 2.86669   33.17972 -4.07702  1.000 48.41378 ? 132 ARG A N   1 
ATOM   865  C  CA  . ARG A 1 114 ? 2.56919   32.99517 -5.49166  1.000 42.61259 ? 132 ARG A CA  1 
ATOM   866  C  C   . ARG A 1 114 ? 1.09716   32.78002 -5.81237  1.000 43.17246 ? 132 ARG A C   1 
ATOM   867  O  O   . ARG A 1 114 ? 0.73406   32.84306 -6.99200  1.000 39.97257 ? 132 ARG A O   1 
ATOM   868  C  CB  . ARG A 1 114 ? 3.37065   31.81213 -6.05599  1.000 43.29967 ? 132 ARG A CB  1 
ATOM   869  C  CG  . ARG A 1 114 ? 4.84920   31.86197 -5.71733  1.000 45.07093 ? 132 ARG A CG  1 
ATOM   870  C  CD  . ARG A 1 114 ? 5.60850   30.72248 -6.36245  1.000 46.40386 ? 132 ARG A CD  1 
ATOM   871  N  NE  . ARG A 1 114 ? 5.71198   30.88719 -7.80666  1.000 46.49593 ? 132 ARG A NE  1 
ATOM   872  C  CZ  . ARG A 1 114 ? 6.45882   30.12442 -8.59236  1.000 49.00134 ? 132 ARG A CZ  1 
ATOM   873  N  NH1 . ARG A 1 114 ? 7.18511   29.13222 -8.10403  1.000 42.77831 ? 132 ARG A NH1 1 
ATOM   874  N  NH2 . ARG A 1 114 ? 6.47836   30.36369 -9.90043  1.000 50.46319 ? 132 ARG A NH2 1 
ATOM   875  N  N   . CYS A 1 115 ? 0.24613   32.52922 -4.82554  1.000 40.33876 ? 133 CYS A N   1 
ATOM   876  C  CA  . CYS A 1 115 ? -1.17600  32.32405 -5.07244  1.000 37.65288 ? 133 CYS A CA  1 
ATOM   877  C  C   . CYS A 1 115 ? -2.05962  33.32550 -4.34992  1.000 47.94210 ? 133 CYS A C   1 
ATOM   878  O  O   . CYS A 1 115 ? -3.09447  33.72792 -4.88920  1.000 43.84157 ? 133 CYS A O   1 
ATOM   879  C  CB  . CYS A 1 115 ? -1.58363  30.90085 -4.66483  1.000 32.80646 ? 133 CYS A CB  1 
ATOM   880  S  SG  . CYS A 1 115 ? -0.62513  29.59781 -5.46399  1.000 37.64378 ? 133 CYS A SG  1 
ATOM   881  N  N   . LYS A 1 116 ? -1.67600  33.73885 -3.14406  1.000 41.32181 ? 134 LYS A N   1 
ATOM   882  C  CA  . LYS A 1 116 ? -2.48215  34.67219 -2.36910  1.000 44.43070 ? 134 LYS A CA  1 
ATOM   883  C  C   . LYS A 1 116 ? -2.58971  36.01166 -3.08713  1.000 46.33711 ? 134 LYS A C   1 
ATOM   884  O  O   . LYS A 1 116 ? -1.58591  36.57421 -3.53509  1.000 39.87558 ? 134 LYS A O   1 
ATOM   885  C  CB  . LYS A 1 116 ? -1.86663  34.85582 -0.98234  1.000 43.49076 ? 134 LYS A CB  1 
ATOM   886  C  CG  . LYS A 1 116 ? -2.67899  35.70932 -0.02681  1.000 39.27730 ? 134 LYS A CG  1 
ATOM   887  C  CD  . LYS A 1 116 ? -2.00638  35.76199 1.33651   1.000 38.64794 ? 134 LYS A CD  1 
ATOM   888  C  CE  . LYS A 1 116 ? -2.81607  36.56874 2.33467   1.000 42.82841 ? 134 LYS A CE  1 
ATOM   889  N  NZ  . LYS A 1 116 ? -2.18385  36.55216 3.68311   1.000 43.91579 ? 134 LYS A NZ  1 
ATOM   890  N  N   . GLY A 1 117 ? -3.81657  36.51770 -3.20028  1.000 50.58716 ? 135 GLY A N   1 
ATOM   891  C  CA  . GLY A 1 117 ? -4.07045  37.77085 -3.87667  1.000 43.73101 ? 135 GLY A CA  1 
ATOM   892  C  C   . GLY A 1 117 ? -4.14135  37.69023 -5.38556  1.000 57.97399 ? 135 GLY A C   1 
ATOM   893  O  O   . GLY A 1 117 ? -4.26883  38.73473 -6.03707  1.000 53.36839 ? 135 GLY A O   1 
ATOM   894  N  N   . THR A 1 118 ? -4.06259  36.49655 -5.96371  1.000 48.39009 ? 136 THR A N   1 
ATOM   895  C  CA  . THR A 1 118 ? -4.12346  36.30866 -7.40548  1.000 53.69692 ? 136 THR A CA  1 
ATOM   896  C  C   . THR A 1 118 ? -5.45790  35.68495 -7.79692  1.000 45.02627 ? 136 THR A C   1 
ATOM   897  O  O   . THR A 1 118 ? -6.25877  35.28180 -6.94982  1.000 49.96435 ? 136 THR A O   1 
ATOM   898  C  CB  . THR A 1 118 ? -2.96460  35.42934 -7.89180  1.000 44.45193 ? 136 THR A CB  1 
ATOM   899  O  OG1 . THR A 1 118 ? -3.10606  34.10754 -7.35593  1.000 44.57258 ? 136 THR A OG1 1 
ATOM   900  C  CG2 . THR A 1 118 ? -1.63340  36.00921 -7.44268  1.000 48.41508 ? 136 THR A CG2 1 
ATOM   901  N  N   . ASP A 1 119 ? -5.69080  35.61092 -9.10593  1.000 45.14205 ? 137 ASP A N   1 
ATOM   902  C  CA  . ASP A 1 119 ? -6.89334  34.97328 -9.64104  1.000 50.98688 ? 137 ASP A CA  1 
ATOM   903  C  C   . ASP A 1 119 ? -6.68413  33.46509 -9.60379  1.000 49.32231 ? 137 ASP A C   1 
ATOM   904  O  O   . ASP A 1 119 ? -6.21700  32.85037 -10.56341 1.000 57.60097 ? 137 ASP A O   1 
ATOM   905  C  CB  . ASP A 1 119 ? -7.18723  35.46643 -11.05322 1.000 51.60036 ? 137 ASP A CB  1 
ATOM   906  C  CG  . ASP A 1 119 ? -8.43077  34.82964 -11.64234 1.000 70.37322 ? 137 ASP A CG  1 
ATOM   907  O  OD1 . ASP A 1 119 ? -9.53563  35.09878 -11.12602 1.000 69.50524 ? 137 ASP A OD1 1 
ATOM   908  O  OD2 . ASP A 1 119 ? -8.30373  34.05647 -12.61579 1.000 73.67325 ? 137 ASP A OD2 1 
ATOM   909  N  N   . VAL A 1 120 ? -7.04150  32.85676 -8.46744  1.000 54.34243 ? 138 VAL A N   1 
ATOM   910  C  CA  . VAL A 1 120 ? -6.82829  31.42459 -8.28357  1.000 47.81656 ? 138 VAL A CA  1 
ATOM   911  C  C   . VAL A 1 120 ? -7.81708  30.57234 -9.06719  1.000 50.85809 ? 138 VAL A C   1 
ATOM   912  O  O   . VAL A 1 120 ? -7.56113  29.37983 -9.27400  1.000 42.34995 ? 138 VAL A O   1 
ATOM   913  C  CB  . VAL A 1 120 ? -6.91178  31.02789 -6.79983  1.000 38.00518 ? 138 VAL A CB  1 
ATOM   914  C  CG1 . VAL A 1 120 ? -5.71826  31.56872 -6.03159  1.000 45.84024 ? 138 VAL A CG1 1 
ATOM   915  C  CG2 . VAL A 1 120 ? -8.21839  31.50964 -6.19272  1.000 37.78446 ? 138 VAL A CG2 1 
ATOM   916  N  N   . GLN A 1 121 ? -8.94813  31.13757 -9.49682  1.000 47.34176 ? 139 GLN A N   1 
ATOM   917  C  CA  . GLN A 1 121 ? -9.92249  30.34928 -10.24502 1.000 48.08001 ? 139 GLN A CA  1 
ATOM   918  C  C   . GLN A 1 121 ? -9.38236  29.90543 -11.59667 1.000 48.86018 ? 139 GLN A C   1 
ATOM   919  O  O   . GLN A 1 121 ? -9.88020  28.92442 -12.16157 1.000 58.74432 ? 139 GLN A O   1 
ATOM   920  C  CB  . GLN A 1 121 ? -11.21896 31.14310 -10.43596 1.000 51.61522 ? 139 GLN A CB  1 
ATOM   921  C  CG  . GLN A 1 121 ? -11.12344 32.28686 -11.43911 1.000 79.05579 ? 139 GLN A CG  1 
ATOM   922  C  CD  . GLN A 1 121 ? -11.40372 31.85735 -12.87354 1.000 86.52822 ? 139 GLN A CD  1 
ATOM   923  O  OE1 . GLN A 1 121 ? -12.17242 30.92627 -13.11825 1.000 79.84591 ? 139 GLN A OE1 1 
ATOM   924  N  NE2 . GLN A 1 121 ? -10.77443 32.53718 -13.82834 1.000 66.66080 ? 139 GLN A NE2 1 
ATOM   925  N  N   . ALA A 1 122 ? -8.37719  30.60634 -12.12673 1.000 43.60374 ? 140 ALA A N   1 
ATOM   926  C  CA  . ALA A 1 122 ? -7.80930  30.24224 -13.41761 1.000 46.50405 ? 140 ALA A CA  1 
ATOM   927  C  C   . ALA A 1 122 ? -7.12873  28.88295 -13.38055 1.000 44.73895 ? 140 ALA A C   1 
ATOM   928  O  O   . ALA A 1 122 ? -6.86237  28.30760 -14.44074 1.000 56.83977 ? 140 ALA A O   1 
ATOM   929  C  CB  . ALA A 1 122 ? -6.81772  31.31239 -13.87759 1.000 41.94282 ? 140 ALA A CB  1 
ATOM   930  N  N   . TRP A 1 123 ? -6.84704  28.35701 -12.18761 1.000 41.50681 ? 141 TRP A N   1 
ATOM   931  C  CA  . TRP A 1 123 ? -6.23834  27.04207 -12.04464 1.000 46.56276 ? 141 TRP A CA  1 
ATOM   932  C  C   . TRP A 1 123 ? -7.23596  25.90165 -12.19873 1.000 43.31888 ? 141 TRP A C   1 
ATOM   933  O  O   . TRP A 1 123 ? -6.81525  24.74505 -12.30537 1.000 52.69863 ? 141 TRP A O   1 
ATOM   934  C  CB  . TRP A 1 123 ? -5.54028  26.93693 -10.68702 1.000 42.02979 ? 141 TRP A CB  1 
ATOM   935  C  CG  . TRP A 1 123 ? -4.35734  27.84290 -10.56525 1.000 50.90654 ? 141 TRP A CG  1 
ATOM   936  C  CD1 . TRP A 1 123 ? -4.31492  29.06285 -9.95514  1.000 50.42336 ? 141 TRP A CD1 1 
ATOM   937  C  CD2 . TRP A 1 123 ? -3.04273  27.60495 -11.07943 1.000 42.07910 ? 141 TRP A CD2 1 
ATOM   938  N  NE1 . TRP A 1 123 ? -3.05180  29.59598 -10.05176 1.000 39.52695 ? 141 TRP A NE1 1 
ATOM   939  C  CE2 . TRP A 1 123 ? -2.25254  28.72058 -10.73901 1.000 42.28242 ? 141 TRP A CE2 1 
ATOM   940  C  CE3 . TRP A 1 123 ? -2.45658  26.55496 -11.79247 1.000 42.35102 ? 141 TRP A CE3 1 
ATOM   941  C  CZ2 . TRP A 1 123 ? -0.90724  28.81608 -11.08765 1.000 45.64837 ? 141 TRP A CZ2 1 
ATOM   942  C  CZ3 . TRP A 1 123 ? -1.12252  26.65135 -12.13786 1.000 48.25131 ? 141 TRP A CZ3 1 
ATOM   943  C  CH2 . TRP A 1 123 ? -0.36184  27.77341 -11.78497 1.000 51.67881 ? 141 TRP A CH2 1 
ATOM   944  N  N   . ILE A 1 124 ? -8.53746  26.18942 -12.20704 1.000 50.27540 ? 142 ILE A N   1 
ATOM   945  C  CA  . ILE A 1 124 ? -9.55902  25.17578 -12.42425 1.000 56.22870 ? 142 ILE A CA  1 
ATOM   946  C  C   . ILE A 1 124 ? -10.41354 25.48068 -13.64738 1.000 47.24043 ? 142 ILE A C   1 
ATOM   947  O  O   . ILE A 1 124 ? -11.41882 24.80847 -13.87892 1.000 52.29512 ? 142 ILE A O   1 
ATOM   948  C  CB  . ILE A 1 124 ? -10.44420 24.98926 -11.17505 1.000 51.89721 ? 142 ILE A CB  1 
ATOM   949  C  CG1 . ILE A 1 124 ? -11.28140 26.24225 -10.91145 1.000 49.08861 ? 142 ILE A CG1 1 
ATOM   950  C  CG2 . ILE A 1 124 ? -9.59317  24.63957 -9.96039  1.000 43.89333 ? 142 ILE A CG2 1 
ATOM   951  C  CD1 . ILE A 1 124 ? -12.26610 26.08501 -9.77194  1.000 53.60711 ? 142 ILE A CD1 1 
ATOM   952  N  N   . ARG A 1 125 ? -10.03233 26.48106 -14.43861 1.000 42.76805 ? 143 ARG A N   1 
ATOM   953  C  CA  . ARG A 1 125 ? -10.79944 26.83382 -15.62549 1.000 54.87693 ? 143 ARG A CA  1 
ATOM   954  C  C   . ARG A 1 125 ? -10.69013 25.73346 -16.67386 1.000 48.96238 ? 143 ARG A C   1 
ATOM   955  O  O   . ARG A 1 125 ? -9.59764  25.22835 -16.95041 1.000 53.58933 ? 143 ARG A O   1 
ATOM   956  C  CB  . ARG A 1 125 ? -10.30967 28.16282 -16.19842 1.000 44.01712 ? 143 ARG A CB  1 
ATOM   957  N  N   . GLY A 1 126 ? -11.82837 25.36316 -17.25688 1.000 55.31904 ? 144 GLY A N   1 
ATOM   958  C  CA  . GLY A 1 126 ? -11.87334 24.33032 -18.26822 1.000 48.83049 ? 144 GLY A CA  1 
ATOM   959  C  C   . GLY A 1 126 ? -11.90463 22.91330 -17.74179 1.000 55.21752 ? 144 GLY A C   1 
ATOM   960  O  O   . GLY A 1 126 ? -11.84006 21.97260 -18.54388 1.000 63.06803 ? 144 GLY A O   1 
ATOM   961  N  N   . CYS A 1 127 ? -12.00516 22.72531 -16.42882 1.000 56.20317 ? 145 CYS A N   1 
ATOM   962  C  CA  . CYS A 1 127 ? -12.00048 21.39651 -15.83627 1.000 48.52430 ? 145 CYS A CA  1 
ATOM   963  C  C   . CYS A 1 127 ? -13.42295 20.89095 -15.63945 1.000 56.77638 ? 145 CYS A C   1 
ATOM   964  O  O   . CYS A 1 127 ? -14.30730 21.63811 -15.21131 1.000 55.43879 ? 145 CYS A O   1 
ATOM   965  C  CB  . CYS A 1 127 ? -11.26538 21.40927 -14.49594 1.000 51.90487 ? 145 CYS A CB  1 
ATOM   966  S  SG  . CYS A 1 127 ? -9.54505  21.94310 -14.59119 1.000 53.84516 ? 145 CYS A SG  1 
ATOM   967  N  N   . ARG A 1 128 ? -13.63497 19.61467 -15.95331 1.000 59.12657 ? 146 ARG A N   1 
ATOM   968  C  CA  . ARG A 1 128 ? -14.92399 18.96361 -15.72836 1.000 64.55474 ? 146 ARG A CA  1 
ATOM   969  C  C   . ARG A 1 128 ? -15.07368 18.67105 -14.24176 1.000 59.12263 ? 146 ARG A C   1 
ATOM   970  O  O   . ARG A 1 128 ? -14.48155 17.72505 -13.71811 1.000 62.60385 ? 146 ARG A O   1 
ATOM   971  C  CB  . ARG A 1 128 ? -15.02972 17.68557 -16.55266 1.000 66.72638 ? 146 ARG A CB  1 
ATOM   972  C  CG  . ARG A 1 128 ? -15.61963 17.87692 -17.93962 1.000 60.28854 ? 146 ARG A CG  1 
ATOM   973  C  CD  . ARG A 1 128 ? -16.99658 17.23393 -18.04473 1.000 75.04273 ? 146 ARG A CD  1 
ATOM   974  N  NE  . ARG A 1 128 ? -17.97170 17.87249 -17.16816 1.000 81.17492 ? 146 ARG A NE  1 
ATOM   975  C  CZ  . ARG A 1 128 ? -19.18109 17.39100 -16.91346 1.000 77.61750 ? 146 ARG A CZ  1 
ATOM   976  N  NH1 . ARG A 1 128 ? -19.60042 16.25517 -17.44762 1.000 83.99998 ? 146 ARG A NH1 1 
ATOM   977  N  NH2 . ARG A 1 128 ? -19.98943 18.06470 -16.09979 1.000 65.68976 ? 146 ARG A NH2 1 
ATOM   978  N  N   . LEU A 1 129 ? -15.86718 19.48529 -13.55413 1.000 50.61779 ? 147 LEU A N   1 
ATOM   979  C  CA  . LEU A 1 129 ? -16.09749 19.30157 -12.12690 1.000 74.58821 ? 147 LEU A CA  1 
ATOM   980  C  C   . LEU A 1 129 ? -17.58876 19.20364 -11.82424 1.000 65.72827 ? 147 LEU A C   1 
ATOM   981  O  O   . LEU A 1 129 ? -17.98501 18.94178 -10.68884 1.000 64.54625 ? 147 LEU A O   1 
ATOM   982  C  CB  . LEU A 1 129 ? -15.47032 20.44745 -11.33035 1.000 60.92678 ? 147 LEU A CB  1 
ATOM   983  C  CG  . LEU A 1 129 ? -13.95979 20.63406 -11.48733 1.000 59.43924 ? 147 LEU A CG  1 
ATOM   984  C  CD1 . LEU A 1 129 ? -13.47525 21.81868 -10.66509 1.000 59.09110 ? 147 LEU A CD1 1 
ATOM   985  C  CD2 . LEU A 1 129 ? -13.22057 19.36645 -11.09360 1.000 58.28286 ? 147 LEU A CD2 1 
HETATM 986  NA NA  . NA  B 2 .   ? 7.97897   14.79199 12.83723  1.000 51.44909 ? 201 NA  A NA  1 
HETATM 987  CL CL  . CL  C 3 .   ? -8.21193  31.51051 7.01794   1.000 50.51591 ? 202 CL  A CL  1 
HETATM 988  CL CL  . CL  D 3 .   ? -11.28062 28.67248 -7.29446  1.000 64.18567 ? 203 CL  A CL  1 
HETATM 989  CL CL  . CL  E 3 .   ? 11.62526  12.08879 13.97227  1.000 63.95960 ? 204 CL  A CL  1 
HETATM 990  CL CL  . CL  F 3 .   ? -6.28844  10.28201 -5.39242  1.000 85.29737 ? 205 CL  A CL  1 
HETATM 991  C  C1  . NDG G 4 .   ? 5.95500   24.31757 2.86531   0.871 61.54139 ? 206 NDG A C1  1 
HETATM 992  C  C2  . NDG G 4 .   ? 5.82727   23.93355 4.33159   0.871 53.37940 ? 206 NDG A C2  1 
HETATM 993  C  C3  . NDG G 4 .   ? 6.71616   24.76339 5.27705   0.871 51.12654 ? 206 NDG A C3  1 
HETATM 994  C  C4  . NDG G 4 .   ? 7.94688   25.47576 4.64494   0.871 52.98475 ? 206 NDG A C4  1 
HETATM 995  C  C5  . NDG G 4 .   ? 8.22866   25.19705 3.15884   0.871 63.23716 ? 206 NDG A C5  1 
HETATM 996  C  C6  . NDG G 4 .   ? 9.63524   24.65947 2.91901   0.871 63.29144 ? 206 NDG A C6  1 
HETATM 997  C  C7  . NDG G 4 .   ? 3.77398   23.03270 5.38205   0.871 45.02503 ? 206 NDG A C7  1 
HETATM 998  C  C8  . NDG G 4 .   ? 2.32877   23.34964 5.67520   0.871 43.78802 ? 206 NDG A C8  1 
HETATM 999  O  O5  . NDG G 4 .   ? 7.27684   24.39624 2.44789   0.871 62.47912 ? 206 NDG A O5  1 
HETATM 1000 O  O3  . NDG G 4 .   ? 7.08082   23.88056 6.31223   0.871 57.06373 ? 206 NDG A O3  1 
HETATM 1001 O  O4  . NDG G 4 .   ? 7.90305   26.86281 4.89395   0.871 83.11062 ? 206 NDG A O4  1 
HETATM 1002 O  O6  . NDG G 4 .   ? 10.03495  24.80309 1.57644   0.871 62.56645 ? 206 NDG A O6  1 
HETATM 1003 O  O7  . NDG G 4 .   ? 4.28353   21.97737 5.72554   0.871 37.65010 ? 206 NDG A O7  1 
HETATM 1004 N  N2  . NDG G 4 .   ? 4.44339   24.00177 4.72598   0.871 51.65860 ? 206 NDG A N2  1 
HETATM 1005 O  O1  . NDG G 4 .   ? 5.26357   25.52928 2.68139   0.871 58.03297 ? 206 NDG A O1  1 
HETATM 1006 O  O   . HOH H 5 .   ? 1.64855   13.48209 -2.32159  1.000 52.38115 ? 301 HOH A O   1 
HETATM 1007 O  O   . HOH H 5 .   ? -2.17316  26.99475 9.22672   1.000 57.78470 ? 302 HOH A O   1 
HETATM 1008 O  O   . HOH H 5 .   ? -3.05592  8.72505  0.59906   1.000 49.59512 ? 303 HOH A O   1 
HETATM 1009 O  O   . HOH H 5 .   ? 11.44568  23.94911 9.06676   1.000 54.52256 ? 304 HOH A O   1 
HETATM 1010 O  O   . HOH H 5 .   ? -6.91591  28.72986 9.92315   1.000 45.60543 ? 305 HOH A O   1 
HETATM 1011 O  O   . HOH H 5 .   ? -6.51643  9.65287  6.09037   1.000 56.87140 ? 306 HOH A O   1 
HETATM 1012 O  O   . HOH H 5 .   ? 11.475    13.230   -3.987    1.000 40.48161 ? 307 HOH A O   1 
HETATM 1013 O  O   . HOH H 5 .   ? -14.32174 8.59889  -2.35722  1.000 63.40192 ? 308 HOH A O   1 
HETATM 1014 O  O   . HOH H 5 .   ? 0.83439   36.19758 -3.89869  1.000 42.74883 ? 309 HOH A O   1 
HETATM 1015 O  O   . HOH H 5 .   ? 0.41759   26.26361 10.64891  1.000 62.30303 ? 310 HOH A O   1 
HETATM 1016 O  O   . HOH H 5 .   ? -2.23319  31.92345 -9.58049  1.000 61.60099 ? 311 HOH A O   1 
HETATM 1017 O  O   . HOH H 5 .   ? 13.73803  15.27928 7.65677   1.000 37.14476 ? 312 HOH A O   1 
HETATM 1018 O  O   . HOH H 5 .   ? 9.88718   13.36606 11.90123  1.000 41.81771 ? 313 HOH A O   1 
HETATM 1019 O  O   . HOH H 5 .   ? 3.78880   7.31465  -8.66184  1.000 49.22550 ? 314 HOH A O   1 
HETATM 1020 O  O   . HOH H 5 .   ? -0.18898  12.03432 -2.11446  1.000 48.30000 ? 315 HOH A O   1 
HETATM 1021 O  O   . HOH H 5 .   ? 2.69431   10.28560 -13.19893 1.000 47.74586 ? 316 HOH A O   1 
HETATM 1022 O  O   . HOH H 5 .   ? 5.79915   10.94151 -9.72764  1.000 46.80775 ? 317 HOH A O   1 
HETATM 1023 O  O   . HOH H 5 .   ? 7.86554   25.43058 -0.42511  1.000 56.14608 ? 318 HOH A O   1 
HETATM 1024 O  O   . HOH H 5 .   ? 4.15429   24.29264 8.79916   1.000 53.21971 ? 319 HOH A O   1 
HETATM 1025 O  O   . HOH H 5 .   ? 4.73659   26.21759 7.52337   1.000 50.65052 ? 320 HOH A O   1 
HETATM 1026 O  O   . HOH H 5 .   ? -0.93321  11.21994 0.21127   1.000 47.69783 ? 321 HOH A O   1 
HETATM 1027 O  O   . HOH H 5 .   ? -10.68087 31.56788 4.49842   1.000 50.27528 ? 322 HOH A O   1 
HETATM 1028 O  O   . HOH H 5 .   ? 1.80176   16.54894 0.71700   1.000 40.37749 ? 323 HOH A O   1 
HETATM 1029 O  O   . HOH H 5 .   ? 8.78661   23.99502 -3.59348  1.000 55.57052 ? 324 HOH A O   1 
HETATM 1030 O  O   . HOH H 5 .   ? 8.91001   22.84215 -0.61030  1.000 60.26410 ? 325 HOH A O   1 
HETATM 1031 O  O   . HOH H 5 .   ? 8.72141   17.85082 -8.11714  1.000 40.26864 ? 326 HOH A O   1 
HETATM 1032 O  O   . HOH H 5 .   ? -1.36397  20.48745 -15.85110 1.000 48.03355 ? 327 HOH A O   1 
HETATM 1033 O  O   . HOH H 5 .   ? -7.97208  23.48660 -20.25405 1.000 58.50186 ? 328 HOH A O   1 
HETATM 1034 O  O   . HOH H 5 .   ? 13.00053  13.00053 18.89500  0.50  38.51971 ? 329 HOH A O   1 
HETATM 1035 O  O   . HOH H 5 .   ? 7.72246   28.02710 -11.45731 1.000 44.66054 ? 330 HOH A O   1 
HETATM 1036 O  O   . HOH H 5 .   ? 7.56791   12.67543 14.44425  1.000 46.95522 ? 331 HOH A O   1 
HETATM 1037 O  O   . HOH H 5 .   ? -5.75048  17.18108 -16.22509 1.000 36.80505 ? 332 HOH A O   1 
HETATM 1038 O  O   . HOH H 5 .   ? 14.94871  14.94871 -0.00000  0.5   67.35732 ? 333 HOH A O   1 
HETATM 1039 O  O   . HOH H 5 .   ? -3.37155  28.26734 -15.11921 1.000 53.70839 ? 334 HOH A O   1 
HETATM 1040 O  O   . HOH H 5 .   ? -7.682    39.952   -5.834    1.000 70.94089 ? 335 HOH A O   1 
HETATM 1041 O  O   . HOH H 5 .   ? 19.095    10.284   6.397     1.000 46.35906 ? 336 HOH A O   1 
HETATM 1042 O  O   . HOH H 5 .   ? 7.00189   35.96992 6.50172   1.000 60.08844 ? 337 HOH A O   1 
HETATM 1043 O  O   . HOH H 5 .   ? -3.90323  27.82170 -17.55460 1.000 53.03683 ? 338 HOH A O   1 
HETATM 1044 O  O   . HOH H 5 .   ? -2.67179  30.42592 -14.51058 1.000 60.31396 ? 339 HOH A O   1 
HETATM 1045 O  O   . HOH H 5 .   ? -9.693    38.436   -7.468    1.000 53.66297 ? 340 HOH A O   1 
HETATM 1046 O  O   . HOH H 5 .   ? 4.76627   35.85580 8.18854   1.000 63.94748 ? 341 HOH A O   1 
# 
