data_9FUD
# 
_entry.id   9FUD 
# 
_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   9FUD         pdb_00009fud 10.2210/pdb9fud/pdb 
WWPDB D_1292139727 ?            ?                   
# 
_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                        9FUD 
_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 
# 
_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 water       nat water          18.015    36 ?        ? ? ? 
# 
_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 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  
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   LYS 1   1   1   LYS LYS A . n 
A 1 2   VAL 2   2   2   VAL VAL A . n 
A 1 3   PHE 3   3   3   PHE PHE A . n 
A 1 4   GLY 4   4   4   GLY GLY A . n 
A 1 5   ARG 5   5   5   ARG ARG A . n 
A 1 6   CYS 6   6   6   CYS CYS A . n 
A 1 7   GLU 7   7   7   GLU GLU A . n 
A 1 8   LEU 8   8   8   LEU LEU A . n 
A 1 9   ALA 9   9   9   ALA ALA A . n 
A 1 10  ALA 10  10  10  ALA ALA A . n 
A 1 11  ALA 11  11  11  ALA ALA A . n 
A 1 12  MET 12  12  12  MET MET A . n 
A 1 13  LYS 13  13  13  LYS LYS A . n 
A 1 14  ARG 14  14  14  ARG ARG A . n 
A 1 15  HIS 15  15  15  HIS HIS A . n 
A 1 16  GLY 16  16  16  GLY GLY A . n 
A 1 17  LEU 17  17  17  LEU LEU A . n 
A 1 18  ASP 18  18  18  ASP ASP A . n 
A 1 19  ASN 19  19  19  ASN ASN A . n 
A 1 20  TYR 20  20  20  TYR TYR A . n 
A 1 21  ARG 21  21  21  ARG ARG A . n 
A 1 22  GLY 22  22  22  GLY GLY A . n 
A 1 23  TYR 23  23  23  TYR TYR A . n 
A 1 24  SER 24  24  24  SER SER A . n 
A 1 25  LEU 25  25  25  LEU LEU A . n 
A 1 26  GLY 26  26  26  GLY GLY A . n 
A 1 27  ASN 27  27  27  ASN ASN A . n 
A 1 28  TRP 28  28  28  TRP TRP A . n 
A 1 29  VAL 29  29  29  VAL VAL A . n 
A 1 30  CYS 30  30  30  CYS CYS A . n 
A 1 31  ALA 31  31  31  ALA ALA A . n 
A 1 32  ALA 32  32  32  ALA ALA A . n 
A 1 33  LYS 33  33  33  LYS LYS A . n 
A 1 34  PHE 34  34  34  PHE PHE A . n 
A 1 35  GLU 35  35  35  GLU GLU A . n 
A 1 36  SER 36  36  36  SER SER A . n 
A 1 37  ASN 37  37  37  ASN ASN A . n 
A 1 38  PHE 38  38  38  PHE PHE A . n 
A 1 39  ASN 39  39  39  ASN ASN A . n 
A 1 40  THR 40  40  40  THR THR A . n 
A 1 41  GLN 41  41  41  GLN GLN A . n 
A 1 42  ALA 42  42  42  ALA ALA A . n 
A 1 43  THR 43  43  43  THR THR A . n 
A 1 44  ASN 44  44  44  ASN ASN A . n 
A 1 45  ARG 45  45  45  ARG ARG A . n 
A 1 46  ASN 46  46  46  ASN ASN A . n 
A 1 47  THR 47  47  47  THR THR A . n 
A 1 48  ASP 48  48  48  ASP ASP A . n 
A 1 49  GLY 49  49  49  GLY GLY A . n 
A 1 50  SER 50  50  50  SER SER A . n 
A 1 51  THR 51  51  51  THR THR A . n 
A 1 52  ASP 52  52  52  ASP ASP A . n 
A 1 53  TYR 53  53  53  TYR TYR A . n 
A 1 54  GLY 54  54  54  GLY GLY A . n 
A 1 55  ILE 55  55  55  ILE ILE A . n 
A 1 56  LEU 56  56  56  LEU LEU A . n 
A 1 57  GLN 57  57  57  GLN GLN A . n 
A 1 58  ILE 58  58  58  ILE ILE A . n 
A 1 59  ASN 59  59  59  ASN ASN A . n 
A 1 60  SER 60  60  60  SER SER A . n 
A 1 61  ARG 61  61  61  ARG ARG A . n 
A 1 62  TRP 62  62  62  TRP TRP A . n 
A 1 63  TRP 63  63  63  TRP TRP A . n 
A 1 64  CYS 64  64  64  CYS CYS A . n 
A 1 65  ASN 65  65  65  ASN ASN A . n 
A 1 66  ASP 66  66  66  ASP ASP A . n 
A 1 67  GLY 67  67  67  GLY GLY A . n 
A 1 68  ARG 68  68  68  ARG ARG A . n 
A 1 69  THR 69  69  69  THR THR A . n 
A 1 70  PRO 70  70  70  PRO PRO A . n 
A 1 71  GLY 71  71  71  GLY GLY A . n 
A 1 72  SER 72  72  72  SER SER A . n 
A 1 73  ARG 73  73  73  ARG ARG A . n 
A 1 74  ASN 74  74  74  ASN ASN A . n 
A 1 75  LEU 75  75  75  LEU LEU A . n 
A 1 76  CYS 76  76  76  CYS CYS A . n 
A 1 77  ASN 77  77  77  ASN ASN A . n 
A 1 78  ILE 78  78  78  ILE ILE A . n 
A 1 79  PRO 79  79  79  PRO PRO A . n 
A 1 80  CYS 80  80  80  CYS CYS A . n 
A 1 81  SER 81  81  81  SER SER A . n 
A 1 82  ALA 82  82  82  ALA ALA A . n 
A 1 83  LEU 83  83  83  LEU LEU A . n 
A 1 84  LEU 84  84  84  LEU LEU A . n 
A 1 85  SER 85  85  85  SER SER A . n 
A 1 86  SER 86  86  86  SER SER A . n 
A 1 87  ASP 87  87  87  ASP ASP A . n 
A 1 88  ILE 88  88  88  ILE ILE A . n 
A 1 89  THR 89  89  89  THR THR A . n 
A 1 90  ALA 90  90  90  ALA ALA A . n 
A 1 91  SER 91  91  91  SER SER A . n 
A 1 92  VAL 92  92  92  VAL VAL A . n 
A 1 93  ASN 93  93  93  ASN ASN A . n 
A 1 94  CYS 94  94  94  CYS CYS A . n 
A 1 95  ALA 95  95  95  ALA ALA A . n 
A 1 96  LYS 96  96  96  LYS LYS A . n 
A 1 97  LYS 97  97  97  LYS LYS A . n 
A 1 98  ILE 98  98  98  ILE ILE A . n 
A 1 99  VAL 99  99  99  VAL VAL A . n 
A 1 100 SER 100 100 100 SER SER A . n 
A 1 101 ASP 101 101 101 ASP ASP A . n 
A 1 102 GLY 102 102 102 GLY GLY A . n 
A 1 103 ASN 103 103 103 ASN ASN A . n 
A 1 104 GLY 104 104 104 GLY GLY A . n 
A 1 105 MET 105 105 105 MET MET A . n 
A 1 106 ASN 106 106 106 ASN ASN A . n 
A 1 107 ALA 107 107 107 ALA ALA A . n 
A 1 108 TRP 108 108 108 TRP TRP A . n 
A 1 109 VAL 109 109 109 VAL VAL A . n 
A 1 110 ALA 110 110 110 ALA ALA A . n 
A 1 111 TRP 111 111 111 TRP TRP A . n 
A 1 112 ARG 112 112 112 ARG ARG A . n 
A 1 113 ASN 113 113 113 ASN ASN A . n 
A 1 114 ARG 114 114 114 ARG ARG A . n 
A 1 115 CYS 115 115 115 CYS CYS A . n 
A 1 116 LYS 116 116 116 LYS LYS A . n 
A 1 117 GLY 117 117 117 GLY GLY A . n 
A 1 118 THR 118 118 118 THR THR A . n 
A 1 119 ASP 119 119 119 ASP ASP A . n 
A 1 120 VAL 120 120 120 VAL VAL A . n 
A 1 121 GLN 121 121 121 GLN GLN A . n 
A 1 122 ALA 122 122 122 ALA ALA A . n 
A 1 123 TRP 123 123 123 TRP TRP A . n 
A 1 124 ILE 124 124 124 ILE ILE A . n 
A 1 125 ARG 125 125 125 ARG ARG A . n 
A 1 126 GLY 126 126 126 GLY GLY A . n 
A 1 127 CYS 127 127 127 CYS CYS A . n 
A 1 128 ARG 128 128 128 ARG ARG A . n 
A 1 129 LEU 129 129 129 LEU LEU A . n 
# 
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 HOH 1  301 31  HOH HOH A . 
G 4 HOH 2  302 29  HOH HOH A . 
G 4 HOH 3  303 26  HOH HOH A . 
G 4 HOH 4  304 73  HOH HOH A . 
G 4 HOH 5  305 20  HOH HOH A . 
G 4 HOH 6  306 24  HOH HOH A . 
G 4 HOH 7  307 54  HOH HOH A . 
G 4 HOH 8  308 42  HOH HOH A . 
G 4 HOH 9  309 11  HOH HOH A . 
G 4 HOH 10 310 46  HOH HOH A . 
G 4 HOH 11 311 41  HOH HOH A . 
G 4 HOH 12 312 39  HOH HOH A . 
G 4 HOH 13 313 78  HOH HOH A . 
G 4 HOH 14 314 12  HOH HOH A . 
G 4 HOH 15 315 88  HOH HOH A . 
G 4 HOH 16 316 93  HOH HOH A . 
G 4 HOH 17 317 38  HOH HOH A . 
G 4 HOH 18 318 13  HOH HOH A . 
G 4 HOH 19 319 105 HOH HOH A . 
G 4 HOH 20 320 10  HOH HOH A . 
G 4 HOH 21 321 5   HOH HOH A . 
G 4 HOH 22 322 53  HOH HOH A . 
G 4 HOH 23 323 6   HOH HOH A . 
G 4 HOH 24 324 21  HOH HOH A . 
G 4 HOH 25 325 7   HOH HOH A . 
G 4 HOH 26 326 18  HOH HOH A . 
G 4 HOH 27 327 35  HOH HOH A . 
G 4 HOH 28 328 3   HOH HOH A . 
G 4 HOH 29 329 25  HOH HOH A . 
G 4 HOH 30 330 8   HOH HOH A . 
G 4 HOH 31 331 27  HOH HOH A . 
G 4 HOH 32 332 2   HOH HOH A . 
G 4 HOH 33 333 65  HOH HOH A . 
G 4 HOH 34 334 66  HOH HOH A . 
G 4 HOH 35 335 28  HOH HOH A . 
G 4 HOH 36 336 30  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 13  ? CG  ? A LYS 13  CG  
2  1 Y 1 A LYS 13  ? CD  ? A LYS 13  CD  
3  1 Y 1 A LYS 13  ? CE  ? A LYS 13  CE  
4  1 Y 1 A LYS 13  ? NZ  ? A LYS 13  NZ  
5  1 Y 1 A ARG 21  ? CG  ? A ARG 21  CG  
6  1 Y 1 A ARG 21  ? CD  ? A ARG 21  CD  
7  1 Y 1 A ARG 21  ? NE  ? A ARG 21  NE  
8  1 Y 1 A ARG 21  ? CZ  ? A ARG 21  CZ  
9  1 Y 1 A ARG 21  ? NH1 ? A ARG 21  NH1 
10 1 Y 1 A ARG 21  ? NH2 ? A ARG 21  NH2 
11 1 Y 1 A ARG 61  ? CG  ? A ARG 61  CG  
12 1 Y 1 A ARG 61  ? CD  ? A ARG 61  CD  
13 1 Y 1 A ARG 61  ? NE  ? A ARG 61  NE  
14 1 Y 1 A ARG 61  ? CZ  ? A ARG 61  CZ  
15 1 Y 1 A ARG 61  ? NH1 ? A ARG 61  NH1 
16 1 Y 1 A ARG 61  ? NH2 ? A ARG 61  NH2 
17 1 Y 1 A LYS 97  ? CG  ? A LYS 97  CG  
18 1 Y 1 A LYS 97  ? CD  ? A LYS 97  CD  
19 1 Y 1 A LYS 97  ? CE  ? A LYS 97  CE  
20 1 Y 1 A LYS 97  ? NZ  ? A LYS 97  NZ  
21 1 Y 1 A GLN 121 ? CG  ? A GLN 121 CG  
22 1 Y 1 A GLN 121 ? CD  ? A GLN 121 CD  
23 1 Y 1 A GLN 121 ? OE1 ? A GLN 121 OE1 
24 1 Y 1 A GLN 121 ? NE2 ? A GLN 121 NE2 
25 1 Y 1 A ARG 125 ? CG  ? A ARG 125 CG  
26 1 Y 1 A ARG 125 ? CD  ? A ARG 125 CD  
27 1 Y 1 A ARG 125 ? NE  ? A ARG 125 NE  
28 1 Y 1 A ARG 125 ? CZ  ? A ARG 125 CZ  
29 1 Y 1 A ARG 125 ? NH1 ? A ARG 125 NH1 
30 1 Y 1 A ARG 125 ? NH2 ? A ARG 125 NH2 
31 1 Y 1 A ARG 128 ? CG  ? A ARG 128 CG  
32 1 Y 1 A ARG 128 ? CD  ? A ARG 128 CD  
33 1 Y 1 A ARG 128 ? NE  ? A ARG 128 NE  
34 1 Y 1 A ARG 128 ? CZ  ? A ARG 128 CZ  
35 1 Y 1 A ARG 128 ? NH1 ? A ARG 128 NH1 
36 1 Y 1 A ARG 128 ? NH2 ? A ARG 128 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                     9FUD 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     78.700 
_cell.length_a_esd                 ? 
_cell.length_b                     78.700 
_cell.length_b_esd                 ? 
_cell.length_c                     37.860 
_cell.length_c_esd                 ? 
_cell.volume                       234493.103 
_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                         9FUD 
_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                   9FUD 
_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             2.05 
_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         2023-03-07 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   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                          46.25 
_reflns.entry_id                                       9FUD 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.05 
_reflns.d_resolution_low                               55.65 
_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                                     7923 
_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                                101 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          4.16 
_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                                   0.9958 
_reflns.pdbx_R_split                                   0.1630 
_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                             323 
_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                                  0.3695 
_reflns_shell.pdbx_R_split                                  2.5695 
_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                               48.15 
_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                                 9FUD 
_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                             55.65 
_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                     7787 
_refine.ls_number_reflns_R_free                  782 
_refine.ls_number_reflns_R_work                  7005 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.69 
_refine.ls_percent_reflns_R_free                 10.04 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2197 
_refine.ls_R_factor_R_free                       0.2523 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2160 
_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                 29.2079 
_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                            0.3141 
_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                        55.65 
_refine_hist.number_atoms_solvent             36 
_refine_hist.number_atoms_total               1005 
_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        964 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         5 
_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' ? 0.0029  ? 999  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.4905  ? 1361 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0411  ? 146  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0033  ? 179  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 12.4373 ? 344  ? 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  . . 122 1061 92.06  . . . . 0.3734 . . . . . . . . . . . 0.3905 
'X-RAY DIFFRACTION' 2.18 2.35  . . 128 1152 99.92  . . . . 0.3270 . . . . . . . . . . . 0.3968 
'X-RAY DIFFRACTION' 2.35 2.58  . . 128 1155 100.00 . . . . 0.2843 . . . . . . . . . . . 0.3054 
'X-RAY DIFFRACTION' 2.58 2.96  . . 130 1176 100.00 . . . . 0.2624 . . . . . . . . . . . 0.2981 
'X-RAY DIFFRACTION' 2.96 3.72  . . 132 1186 100.00 . . . . 0.1971 . . . . . . . . . . . 0.2399 
'X-RAY DIFFRACTION' 3.73 55.65 . . 142 1275 100.00 . . . . 0.1742 . . . . . . . . . . . 0.2072 
# 
_struct.entry_id                     9FUD 
_struct.title                        
'Serial microseconds crystallography at ID29 using fixed-target (Si Chip): Lysozyme - without ligand GlcNAc (apo)' 
_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        9FUD 
_struct_keywords.text            
;Serial crystallography, serial microsecond crystallography, room temperature, ID29, ESRF-EBS, fixed-target, lysozyme, apo, 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 ? 
# 
_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              9FUD 
_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       1 
_struct_ref_seq.pdbx_auth_seq_align_end       129 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_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)' 660  ? 
1 MORE         -51  ? 
1 'SSA (A^2)'  6270 ? 
# 
_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 
# 
_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 4   HIS A 15  1 ? 12 
HELX_P HELX_P2 AA2 ASN A 19  ? TYR A 23  ? ASN A 19  TYR A 23  5 ? 5  
HELX_P HELX_P3 AA3 SER A 24  ? ASN A 37  ? SER A 24  ASN A 37  1 ? 14 
HELX_P HELX_P4 AA4 PRO A 79  ? SER A 85  ? PRO A 79  SER A 85  5 ? 7  
HELX_P HELX_P5 AA5 ILE A 88  ? SER A 100 ? ILE A 88  SER A 100 1 ? 13 
HELX_P HELX_P6 AA6 ASN A 103 ? ALA A 107 ? ASN A 103 ALA A 107 5 ? 5  
HELX_P HELX_P7 AA7 TRP A 108 ? CYS A 115 ? TRP A 108 CYS A 115 1 ? 8  
HELX_P HELX_P8 AA8 ASP A 119 ? ILE A 124 ? ASP A 119 ILE A 124 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 6   A CYS 127 1_555 ? ? ? ? ? ? ? 2.026 ? ? 
disulf2 disulf ? ? A CYS 30 SG ? ? ? 1_555 A CYS 115 SG ? ? A CYS 30  A CYS 115 1_555 ? ? ? ? ? ? ? 2.029 ? ? 
disulf3 disulf ? ? A CYS 64 SG ? ? ? 1_555 A CYS 80  SG ? ? A CYS 64  A CYS 80  1_555 ? ? ? ? ? ? ? 2.028 ? ? 
disulf4 disulf ? ? A CYS 76 SG ? ? ? 1_555 A CYS 94  SG ? ? A CYS 76  A CYS 94  1_555 ? ? ? ? ? ? ? 2.033 ? ? 
metalc1 metalc ? ? A SER 60 O  ? ? ? 1_555 B NA  .   NA ? ? A SER 60  A NA  201 1_555 ? ? ? ? ? ? ? 2.277 ? ? 
metalc2 metalc ? ? A CYS 64 O  ? ? ? 1_555 B NA  .   NA ? ? A CYS 64  A NA  201 1_555 ? ? ? ? ? ? ? 2.167 ? ? 
metalc3 metalc ? ? A SER 72 OG ? ? ? 1_555 B NA  .   NA ? ? A SER 72  A NA  201 1_555 ? ? ? ? ? ? ? 2.677 ? ? 
metalc4 metalc ? ? A ARG 73 O  ? ? ? 1_555 B NA  .   NA ? ? A ARG 73  A NA  201 1_555 ? ? ? ? ? ? ? 2.388 ? ? 
metalc5 metalc ? ? B NA  .  NA ? ? ? 1_555 G HOH .   O  ? ? A NA  201 A HOH 320 1_555 ? ? ? ? ? ? ? 2.612 ? ? 
metalc6 metalc ? ? B NA  .  NA ? ? ? 1_555 G HOH .   O  ? ? A NA  201 A HOH 329 1_555 ? ? ? ? ? ? ? 2.736 ? ? 
# 
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 60  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A CYS 64 ? A CYS 64  ? 1_555 87.4  ? 
2  O  ? A SER 60 ? A SER 60  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 OG ? A SER 72 ? A SER 72  ? 1_555 88.1  ? 
3  O  ? A CYS 64 ? A CYS 64  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 OG ? A SER 72 ? A SER 72  ? 1_555 159.2 ? 
4  O  ? A SER 60 ? A SER 60  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A ARG 73 ? A ARG 73  ? 1_555 101.3 ? 
5  O  ? A CYS 64 ? A CYS 64  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A ARG 73 ? A ARG 73  ? 1_555 97.1  ? 
6  OG ? A SER 72 ? A SER 72  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? A ARG 73 ? A ARG 73  ? 1_555 103.7 ? 
7  O  ? A SER 60 ? A SER 60  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? G HOH .  ? A HOH 320 ? 1_555 95.7  ? 
8  O  ? A CYS 64 ? A CYS 64  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? G HOH .  ? A HOH 320 ? 1_555 87.5  ? 
9  OG ? A SER 72 ? A SER 72  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? G HOH .  ? A HOH 320 ? 1_555 72.8  ? 
10 O  ? A ARG 73 ? A ARG 73  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? G HOH .  ? A HOH 320 ? 1_555 162.6 ? 
11 O  ? A SER 60 ? A SER 60  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? G HOH .  ? A HOH 329 ? 1_555 164.8 ? 
12 O  ? A CYS 64 ? A CYS 64  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? G HOH .  ? A HOH 329 ? 1_555 98.7  ? 
13 OG ? A SER 72 ? A SER 72  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? G HOH .  ? A HOH 329 ? 1_555 81.3  ? 
14 O  ? A ARG 73 ? A ARG 73  ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? G HOH .  ? A HOH 329 ? 1_555 91.8  ? 
15 O  ? G HOH .  ? A HOH 320 ? 1_555 NA ? B NA . ? A NA 201 ? 1_555 O  ? G HOH .  ? A HOH 329 ? 1_555 70.9  ? 
# 
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 6  ? 1_555 CYS A 127 ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 30 ? CYS A 115 ? CYS A 30 ? 1_555 CYS A 115 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 64 ? CYS A 80  ? CYS A 64 ? 1_555 CYS A 80  ? 1_555 SG SG . . . None 'Disulfide bridge' 
4 CYS A 76 ? CYS A 94  ? CYS A 76 ? 1_555 CYS A 94  ? 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 43 ARG A 45 
AA1 2 THR A 51 ? TYR A 53 ? THR A 51 TYR A 53 
AA1 3 ILE A 58 ? ASN A 59 ? ILE A 58 ASN A 59 
# 
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 44 O ASP A 52 ? O ASP A 52 
AA1 2 3 N TYR A 53 ? N TYR A 53 O ILE A 58 ? O ILE A 58 
# 
_pdbx_entry_details.entry_id                   9FUD 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
_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     62 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -132.99 
_pdbx_validate_torsion.psi             -30.09 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     328 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   G 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
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 
PHE N    N  N N 252 
PHE CA   C  N S 253 
PHE C    C  N N 254 
PHE O    O  N N 255 
PHE CB   C  N N 256 
PHE CG   C  Y N 257 
PHE CD1  C  Y N 258 
PHE CD2  C  Y N 259 
PHE CE1  C  Y N 260 
PHE CE2  C  Y N 261 
PHE CZ   C  Y N 262 
PHE OXT  O  N N 263 
PHE H    H  N N 264 
PHE H2   H  N N 265 
PHE HA   H  N N 266 
PHE HB2  H  N N 267 
PHE HB3  H  N N 268 
PHE HD1  H  N N 269 
PHE HD2  H  N N 270 
PHE HE1  H  N N 271 
PHE HE2  H  N N 272 
PHE HZ   H  N N 273 
PHE HXT  H  N N 274 
PRO N    N  N N 275 
PRO CA   C  N S 276 
PRO C    C  N N 277 
PRO O    O  N N 278 
PRO CB   C  N N 279 
PRO CG   C  N N 280 
PRO CD   C  N N 281 
PRO OXT  O  N N 282 
PRO H    H  N N 283 
PRO HA   H  N N 284 
PRO HB2  H  N N 285 
PRO HB3  H  N N 286 
PRO HG2  H  N N 287 
PRO HG3  H  N N 288 
PRO HD2  H  N N 289 
PRO HD3  H  N N 290 
PRO HXT  H  N N 291 
SER N    N  N N 292 
SER CA   C  N S 293 
SER C    C  N N 294 
SER O    O  N N 295 
SER CB   C  N N 296 
SER OG   O  N N 297 
SER OXT  O  N N 298 
SER H    H  N N 299 
SER H2   H  N N 300 
SER HA   H  N N 301 
SER HB2  H  N N 302 
SER HB3  H  N N 303 
SER HG   H  N N 304 
SER HXT  H  N N 305 
THR N    N  N N 306 
THR CA   C  N S 307 
THR C    C  N N 308 
THR O    O  N N 309 
THR CB   C  N R 310 
THR OG1  O  N N 311 
THR CG2  C  N N 312 
THR OXT  O  N N 313 
THR H    H  N N 314 
THR H2   H  N N 315 
THR HA   H  N N 316 
THR HB   H  N N 317 
THR HG1  H  N N 318 
THR HG21 H  N N 319 
THR HG22 H  N N 320 
THR HG23 H  N N 321 
THR HXT  H  N N 322 
TRP N    N  N N 323 
TRP CA   C  N S 324 
TRP C    C  N N 325 
TRP O    O  N N 326 
TRP CB   C  N N 327 
TRP CG   C  Y N 328 
TRP CD1  C  Y N 329 
TRP CD2  C  Y N 330 
TRP NE1  N  Y N 331 
TRP CE2  C  Y N 332 
TRP CE3  C  Y N 333 
TRP CZ2  C  Y N 334 
TRP CZ3  C  Y N 335 
TRP CH2  C  Y N 336 
TRP OXT  O  N N 337 
TRP H    H  N N 338 
TRP H2   H  N N 339 
TRP HA   H  N N 340 
TRP HB2  H  N N 341 
TRP HB3  H  N N 342 
TRP HD1  H  N N 343 
TRP HE1  H  N N 344 
TRP HE3  H  N N 345 
TRP HZ2  H  N N 346 
TRP HZ3  H  N N 347 
TRP HH2  H  N N 348 
TRP HXT  H  N N 349 
TYR N    N  N N 350 
TYR CA   C  N S 351 
TYR C    C  N N 352 
TYR O    O  N N 353 
TYR CB   C  N N 354 
TYR CG   C  Y N 355 
TYR CD1  C  Y N 356 
TYR CD2  C  Y N 357 
TYR CE1  C  Y N 358 
TYR CE2  C  Y N 359 
TYR CZ   C  Y N 360 
TYR OH   O  N N 361 
TYR OXT  O  N N 362 
TYR H    H  N N 363 
TYR H2   H  N N 364 
TYR HA   H  N N 365 
TYR HB2  H  N N 366 
TYR HB3  H  N N 367 
TYR HD1  H  N N 368 
TYR HD2  H  N N 369 
TYR HE1  H  N N 370 
TYR HE2  H  N N 371 
TYR HH   H  N N 372 
TYR HXT  H  N N 373 
VAL N    N  N N 374 
VAL CA   C  N S 375 
VAL C    C  N N 376 
VAL O    O  N N 377 
VAL CB   C  N N 378 
VAL CG1  C  N N 379 
VAL CG2  C  N N 380 
VAL OXT  O  N N 381 
VAL H    H  N N 382 
VAL H2   H  N N 383 
VAL HA   H  N N 384 
VAL HB   H  N N 385 
VAL HG11 H  N N 386 
VAL HG12 H  N N 387 
VAL HG13 H  N N 388 
VAL HG21 H  N N 389 
VAL HG22 H  N N 390 
VAL HG23 H  N N 391 
VAL HXT  H  N N 392 
# 
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 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
TYR N   CA   sing N N 334 
TYR N   H    sing N N 335 
TYR N   H2   sing N N 336 
TYR CA  C    sing N N 337 
TYR CA  CB   sing N N 338 
TYR CA  HA   sing N N 339 
TYR C   O    doub N N 340 
TYR C   OXT  sing N N 341 
TYR CB  CG   sing N N 342 
TYR CB  HB2  sing N N 343 
TYR CB  HB3  sing N N 344 
TYR CG  CD1  doub Y N 345 
TYR CG  CD2  sing Y N 346 
TYR CD1 CE1  sing Y N 347 
TYR CD1 HD1  sing N N 348 
TYR CD2 CE2  doub Y N 349 
TYR CD2 HD2  sing N N 350 
TYR CE1 CZ   doub Y N 351 
TYR CE1 HE1  sing N N 352 
TYR CE2 CZ   sing Y N 353 
TYR CE2 HE2  sing N N 354 
TYR CZ  OH   sing N N 355 
TYR OH  HH   sing N N 356 
TYR OXT HXT  sing N N 357 
VAL N   CA   sing N N 358 
VAL N   H    sing N N 359 
VAL N   H2   sing N N 360 
VAL CA  C    sing N N 361 
VAL CA  CB   sing N N 362 
VAL CA  HA   sing N N 363 
VAL C   O    doub N N 364 
VAL C   OXT  sing N N 365 
VAL CB  CG1  sing N N 366 
VAL CB  CG2  sing N N 367 
VAL CB  HB   sing N N 368 
VAL CG1 HG11 sing N N 369 
VAL CG1 HG12 sing N N 370 
VAL CG1 HG13 sing N N 371 
VAL CG2 HG21 sing N N 372 
VAL CG2 HG22 sing N N 373 
VAL CG2 HG23 sing N N 374 
VAL OXT HXT  sing N N 375 
# 
_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                    9FUD 
_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]   0.012706 
_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]   0.012706 
_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]   0.026413 
_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   ? 3.38617   9.89120  -8.66768  1.000 48.38297 ? 1   LYS A N   1 
ATOM   2    C  CA  . LYS A 1 1   ? 2.48847   10.27653 -9.75205  1.000 48.65564 ? 1   LYS A CA  1 
ATOM   3    C  C   . LYS A 1 1   ? 2.46200   11.78919 -9.96367  1.000 48.82118 ? 1   LYS A C   1 
ATOM   4    O  O   . LYS A 1 1   ? 2.30766   12.55744 -9.01121  1.000 47.43255 ? 1   LYS A O   1 
ATOM   5    C  CB  . LYS A 1 1   ? 1.07263   9.77221  -9.47515  1.000 48.78916 ? 1   LYS A CB  1 
ATOM   6    C  CG  . LYS A 1 1   ? 0.04462   10.28135 -10.46666 1.000 49.48132 ? 1   LYS A CG  1 
ATOM   7    C  CD  . LYS A 1 1   ? -1.34648  9.79882  -10.11308 1.000 50.32322 ? 1   LYS A CD  1 
ATOM   8    C  CE  . LYS A 1 1   ? -2.35866  10.27653 -11.13547 1.000 51.09557 ? 1   LYS A CE  1 
ATOM   9    N  NZ  . LYS A 1 1   ? -3.71073  9.71462  -10.87063 1.000 53.59510 ? 1   LYS A NZ  1 
ATOM   10   N  N   . VAL A 1 2   ? 2.61365   12.20707 -11.21675 1.000 48.22333 ? 2   VAL A N   1 
ATOM   11   C  CA  . VAL A 1 2   ? 2.50936   13.60789 -11.60930 1.000 48.23346 ? 2   VAL A CA  1 
ATOM   12   C  C   . VAL A 1 2   ? 1.07670   13.84267 -12.07059 1.000 48.87813 ? 2   VAL A C   1 
ATOM   13   O  O   . VAL A 1 2   ? 0.67815   13.38597 -13.14744 1.000 49.12743 ? 2   VAL A O   1 
ATOM   14   C  CB  . VAL A 1 2   ? 3.51675   13.96589 -12.70966 1.000 48.19093 ? 2   VAL A CB  1 
ATOM   15   C  CG1 . VAL A 1 2   ? 3.34797   15.41749 -13.12890 1.000 49.56286 ? 2   VAL A CG1 1 
ATOM   16   C  CG2 . VAL A 1 2   ? 4.93755   13.69756 -12.24029 1.000 47.97173 ? 2   VAL A CG2 1 
ATOM   17   N  N   . PHE A 1 3   ? 0.29915   14.55217 -11.25689 1.000 48.94175 ? 3   PHE A N   1 
ATOM   18   C  CA  . PHE A 1 3   ? -1.09735  14.80262 -11.57226 1.000 48.65496 ? 3   PHE A CA  1 
ATOM   19   C  C   . PHE A 1 3   ? -1.23100  15.80091 -12.71676 1.000 49.06619 ? 3   PHE A C   1 
ATOM   20   O  O   . PHE A 1 3   ? -0.33011  16.59579 -12.99784 1.000 48.46393 ? 3   PHE A O   1 
ATOM   21   C  CB  . PHE A 1 3   ? -1.83914  15.33905 -10.34797 1.000 48.51869 ? 3   PHE A CB  1 
ATOM   22   C  CG  . PHE A 1 3   ? -2.42902  14.27071 -9.47823  1.000 49.77114 ? 3   PHE A CG  1 
ATOM   23   C  CD1 . PHE A 1 3   ? -1.68747  13.70205 -8.45057  1.000 49.02654 ? 3   PHE A CD1 1 
ATOM   24   C  CD2 . PHE A 1 3   ? -3.73005  13.84081 -9.68098  1.000 49.29176 ? 3   PHE A CD2 1 
ATOM   25   C  CE1 . PHE A 1 3   ? -2.23199  12.72011 -7.64600  1.000 49.61096 ? 3   PHE A CE1 1 
ATOM   26   C  CE2 . PHE A 1 3   ? -4.28188  12.85614 -8.87717  1.000 49.93437 ? 3   PHE A CE2 1 
ATOM   27   C  CZ  . PHE A 1 3   ? -3.53057  12.29605 -7.85805  1.000 50.07498 ? 3   PHE A CZ  1 
ATOM   28   N  N   . GLY A 1 4   ? -2.38508  15.74356 -13.38750 1.000 49.46798 ? 4   GLY A N   1 
ATOM   29   C  CA  . GLY A 1 4   ? -2.78596  16.81186 -14.27206 1.000 48.90393 ? 4   GLY A CA  1 
ATOM   30   C  C   . GLY A 1 4   ? -3.55003  17.88622 -13.52394 1.000 48.53395 ? 4   GLY A C   1 
ATOM   31   O  O   . GLY A 1 4   ? -4.06782  17.65205 -12.43301 1.000 48.33709 ? 4   GLY A O   1 
ATOM   32   N  N   . ARG A 1 5   ? -3.60561  19.07856 -14.12037 1.000 48.26816 ? 5   ARG A N   1 
ATOM   33   C  CA  . ARG A 1 5   ? -4.25448  20.20516 -13.45608 1.000 48.16953 ? 5   ARG A CA  1 
ATOM   34   C  C   . ARG A 1 5   ? -5.70079  19.87609 -13.10455 1.000 48.22521 ? 5   ARG A C   1 
ATOM   35   O  O   . ARG A 1 5   ? -6.10795  19.96837 -11.93971 1.000 48.38776 ? 5   ARG A O   1 
ATOM   36   C  CB  . ARG A 1 5   ? -4.17860  21.44700 -14.34438 1.000 49.14349 ? 5   ARG A CB  1 
ATOM   37   C  CG  . ARG A 1 5   ? -4.77400  22.69742 -13.72431 1.000 49.58617 ? 5   ARG A CG  1 
ATOM   38   C  CD  . ARG A 1 5   ? -4.47036  23.90549 -14.58645 1.000 50.18162 ? 5   ARG A CD  1 
ATOM   39   N  NE  . ARG A 1 5   ? -4.93478  23.70667 -15.95422 1.000 51.09588 ? 5   ARG A NE  1 
ATOM   40   C  CZ  . ARG A 1 5   ? -6.12316  24.08441 -16.40888 1.000 52.24550 ? 5   ARG A CZ  1 
ATOM   41   N  NH1 . ARG A 1 5   ? -6.99663  24.70538 -15.63263 1.000 51.44017 ? 5   ARG A NH1 1 
ATOM   42   N  NH2 . ARG A 1 5   ? -6.44473  23.83040 -17.67489 1.000 53.62220 ? 5   ARG A NH2 1 
ATOM   43   N  N   . CYS A 1 6   ? -6.49026  19.47361 -14.10243 1.000 48.54620 ? 6   CYS A N   1 
ATOM   44   C  CA  . CYS A 1 6   ? -7.89044  19.15230 -13.85081 1.000 48.90937 ? 6   CYS A CA  1 
ATOM   45   C  C   . CYS A 1 6   ? -8.04587  17.83355 -13.10808 1.000 48.34860 ? 6   CYS A C   1 
ATOM   46   O  O   . CYS A 1 6   ? -8.98858  17.67550 -12.32332 1.000 47.96142 ? 6   CYS A O   1 
ATOM   47   C  CB  . CYS A 1 6   ? -8.66275  19.11831 -15.16645 1.000 49.69566 ? 6   CYS A CB  1 
ATOM   48   S  SG  . CYS A 1 6   ? -8.72207  20.72157 -15.97428 1.000 52.57101 ? 6   CYS A SG  1 
ATOM   49   N  N   . GLU A 1 7   ? -7.14249  16.88001 -13.33824 1.000 47.73538 ? 7   GLU A N   1 
ATOM   50   C  CA  . GLU A 1 7   ? -7.21555  15.62107 -12.60834 1.000 49.57856 ? 7   GLU A CA  1 
ATOM   51   C  C   . GLU A 1 7   ? -7.05907  15.85244 -11.11223 1.000 48.27121 ? 7   GLU A C   1 
ATOM   52   O  O   . GLU A 1 7   ? -7.80299  15.28241 -10.30492 1.000 48.01969 ? 7   GLU A O   1 
ATOM   53   C  CB  . GLU A 1 7   ? -6.14682  14.65560 -13.11591 1.000 50.09197 ? 7   GLU A CB  1 
ATOM   54   C  CG  . GLU A 1 7   ? -6.22435  13.28522 -12.48318 1.000 51.14472 ? 7   GLU A CG  1 
ATOM   55   C  CD  . GLU A 1 7   ? -5.04838  12.41526 -12.85343 1.000 52.39641 ? 7   GLU A CD  1 
ATOM   56   O  OE1 . GLU A 1 7   ? -4.08263  12.94526 -13.44374 1.000 51.75712 ? 7   GLU A OE1 1 
ATOM   57   O  OE2 . GLU A 1 7   ? -5.09239  11.20313 -12.55379 1.000 53.40833 ? 7   GLU A OE2 1 
ATOM   58   N  N   . LEU A 1 8   ? -6.10121  16.70006 -10.72826 1.000 48.42353 ? 8   LEU A N   1 
ATOM   59   C  CA  . LEU A 1 8   ? -5.88939  17.00650 -9.31925  1.000 47.67825 ? 8   LEU A CA  1 
ATOM   60   C  C   . LEU A 1 8   ? -7.04479  17.81656 -8.74704  1.000 46.14697 ? 8   LEU A C   1 
ATOM   61   O  O   . LEU A 1 8   ? -7.49559  17.55390 -7.62607  1.000 47.32786 ? 8   LEU A O   1 
ATOM   62   C  CB  . LEU A 1 8   ? -4.57328  17.75968 -9.14525  1.000 47.00357 ? 8   LEU A CB  1 
ATOM   63   C  CG  . LEU A 1 8   ? -4.28143  18.24411 -7.72592  1.000 46.40283 ? 8   LEU A CG  1 
ATOM   64   C  CD1 . LEU A 1 8   ? -4.24466  17.07838 -6.74285  1.000 47.22055 ? 8   LEU A CD1 1 
ATOM   65   C  CD2 . LEU A 1 8   ? -2.98318  19.03334 -7.70234  1.000 45.98018 ? 8   LEU A CD2 1 
ATOM   66   N  N   . ALA A 1 9   ? -7.52362  18.81652 -9.49360  1.000 47.54171 ? 9   ALA A N   1 
ATOM   67   C  CA  . ALA A 1 9   ? -8.65829  19.60971 -9.02970  1.000 47.17993 ? 9   ALA A CA  1 
ATOM   68   C  C   . ALA A 1 9   ? -9.86295  18.72723 -8.73317  1.000 46.78891 ? 9   ALA A C   1 
ATOM   69   O  O   . ALA A 1 9   ? -10.50093 18.86963 -7.68420  1.000 47.21803 ? 9   ALA A O   1 
ATOM   70   C  CB  . ALA A 1 9   ? -9.01405  20.67583 -10.06456 1.000 46.95821 ? 9   ALA A CB  1 
ATOM   71   N  N   . ALA A 1 10  ? -10.18208 17.79984 -9.64092  1.000 48.24251 ? 10  ALA A N   1 
ATOM   72   C  CA  . ALA A 1 10  ? -11.29034 16.88191 -9.39912  1.000 47.54283 ? 10  ALA A CA  1 
ATOM   73   C  C   . ALA A 1 10  ? -11.00992 15.97695 -8.20485  1.000 48.15310 ? 10  ALA A C   1 
ATOM   74   O  O   . ALA A 1 10  ? -11.90706 15.71390 -7.39577  1.000 47.96297 ? 10  ALA A O   1 
ATOM   75   C  CB  . ALA A 1 10  ? -11.56823 16.05358 -10.65396 1.000 48.92254 ? 10  ALA A CB  1 
ATOM   76   N  N   . ALA A 1 11  ? -9.77176  15.49248 -8.07344  1.000 46.99305 ? 11  ALA A N   1 
ATOM   77   C  CA  . ALA A 1 11  ? -9.44237  14.62760 -6.94514  1.000 47.43730 ? 11  ALA A CA  1 
ATOM   78   C  C   . ALA A 1 11  ? -9.53308  15.38385 -5.62618  1.000 48.59658 ? 11  ALA A C   1 
ATOM   79   O  O   . ALA A 1 11  ? -9.99798  14.83667 -4.61876  1.000 49.36164 ? 11  ALA A O   1 
ATOM   80   C  CB  . ALA A 1 11  ? -8.04746  14.03097 -7.12833  1.000 48.12420 ? 11  ALA A CB  1 
ATOM   81   N  N   . MET A 1 12  ? -9.09579  16.64507 -5.61494  1.000 47.54620 ? 12  MET A N   1 
ATOM   82   C  CA  . MET A 1 12  ? -9.17791  17.44949 -4.40060  1.000 47.64310 ? 12  MET A CA  1 
ATOM   83   C  C   . MET A 1 12  ? -10.62043 17.78208 -4.04948  1.000 48.84853 ? 12  MET A C   1 
ATOM   84   O  O   . MET A 1 12  ? -10.98285 17.80805 -2.86764  1.000 48.48699 ? 12  MET A O   1 
ATOM   85   C  CB  . MET A 1 12  ? -8.36662  18.73118 -4.56351  1.000 47.07897 ? 12  MET A CB  1 
ATOM   86   C  CG  . MET A 1 12  ? -6.88827  18.56310 -4.31212  1.000 46.22386 ? 12  MET A CG  1 
ATOM   87   S  SD  . MET A 1 12  ? -5.97096  20.01222 -4.82879  1.000 48.34090 ? 12  MET A SD  1 
ATOM   88   C  CE  . MET A 1 12  ? -4.43559  19.73120 -3.95245  1.000 44.33756 ? 12  MET A CE  1 
ATOM   89   N  N   . LYS A 1 13  ? -11.45338 18.05592 -5.05956  1.000 48.10461 ? 13  LYS A N   1 
ATOM   90   C  CA  . LYS A 1 13  ? -12.86068 18.34241 -4.79866  1.000 49.31995 ? 13  LYS A CA  1 
ATOM   91   C  C   . LYS A 1 13  ? -13.56359 17.13101 -4.20330  1.000 49.66041 ? 13  LYS A C   1 
ATOM   92   O  O   . LYS A 1 13  ? -14.35830 17.26935 -3.26674  1.000 49.62255 ? 13  LYS A O   1 
ATOM   93   C  CB  . LYS A 1 13  ? -13.55803 18.79252 -6.08383  1.000 48.57826 ? 13  LYS A CB  1 
ATOM   94   N  N   . ARG A 1 14  ? -13.26740 15.93458 -4.72406  1.000 50.71808 ? 14  ARG A N   1 
ATOM   95   C  CA  . ARG A 1 14  ? -13.87207 14.71537 -4.19508  1.000 51.95095 ? 14  ARG A CA  1 
ATOM   96   C  C   . ARG A 1 14  ? -13.56446 14.54410 -2.71281  1.000 51.72348 ? 14  ARG A C   1 
ATOM   97   O  O   . ARG A 1 14  ? -14.41105 14.06656 -1.94721  1.000 52.45850 ? 14  ARG A O   1 
ATOM   98   C  CB  . ARG A 1 14  ? -13.38776 13.50182 -4.99224  1.000 53.47767 ? 14  ARG A CB  1 
ATOM   99   C  CG  . ARG A 1 14  ? -14.04657 12.19240 -4.58767  1.000 56.81323 ? 14  ARG A CG  1 
ATOM   100  C  CD  . ARG A 1 14  ? -13.67737 11.05870 -5.53856  1.000 58.62656 ? 14  ARG A CD  1 
ATOM   101  N  NE  . ARG A 1 14  ? -12.27193 10.67675 -5.44178  1.000 61.16134 ? 14  ARG A NE  1 
ATOM   102  C  CZ  . ARG A 1 14  ? -11.80806 9.70915  -4.66117  1.000 61.29581 ? 14  ARG A CZ  1 
ATOM   103  N  NH1 . ARG A 1 14  ? -12.61192 9.00993  -3.87510  1.000 60.45116 ? 14  ARG A NH1 1 
ATOM   104  N  NH2 . ARG A 1 14  ? -10.50570 9.43262  -4.67346  1.000 60.96623 ? 14  ARG A NH2 1 
ATOM   105  N  N   . HIS A 1 15  ? -12.36226 14.93369 -2.28749  1.000 51.37355 ? 15  HIS A N   1 
ATOM   106  C  CA  . HIS A 1 15  ? -11.96252 14.84261 -0.88925  1.000 51.18265 ? 15  HIS A CA  1 
ATOM   107  C  C   . HIS A 1 15  ? -12.37538 16.06228 -0.07167  1.000 50.38526 ? 15  HIS A C   1 
ATOM   108  O  O   . HIS A 1 15  ? -11.85335 16.25817 1.03103   1.000 49.98807 ? 15  HIS A O   1 
ATOM   109  C  CB  . HIS A 1 15  ? -10.44834 14.63374 -0.77664  1.000 50.74697 ? 15  HIS A CB  1 
ATOM   110  C  CG  . HIS A 1 15  ? -9.98601  13.28342 -1.23374  1.000 51.44130 ? 15  HIS A CG  1 
ATOM   111  N  ND1 . HIS A 1 15  ? -9.58453  13.03312 -2.52798  1.000 52.49987 ? 15  HIS A ND1 1 
ATOM   112  C  CD2 . HIS A 1 15  ? -9.87091  12.10764 -0.57061  1.000 51.94246 ? 15  HIS A CD2 1 
ATOM   113  C  CE1 . HIS A 1 15  ? -9.23891  11.76231 -2.64283  1.000 53.29682 ? 15  HIS A CE1 1 
ATOM   114  N  NE2 . HIS A 1 15  ? -9.40404  11.17906 -1.46995  1.000 53.03635 ? 15  HIS A NE2 1 
ATOM   115  N  N   . GLY A 1 16  ? -13.28401 16.88656 -0.58777  1.000 50.67938 ? 16  GLY A N   1 
ATOM   116  C  CA  . GLY A 1 16  ? -13.85316 17.96986 0.19403   1.000 49.43055 ? 16  GLY A CA  1 
ATOM   117  C  C   . GLY A 1 16  ? -12.95215 19.16143 0.43304   1.000 49.73592 ? 16  GLY A C   1 
ATOM   118  O  O   . GLY A 1 16  ? -13.08908 19.83224 1.46248   1.000 49.31122 ? 16  GLY A O   1 
ATOM   119  N  N   . LEU A 1 17  ? -12.03438 19.45266 -0.48737  1.000 48.81761 ? 17  LEU A N   1 
ATOM   120  C  CA  . LEU A 1 17  ? -11.16978 20.61510 -0.33486  1.000 48.73704 ? 17  LEU A CA  1 
ATOM   121  C  C   . LEU A 1 17  ? -11.74873 21.88357 -0.94543  1.000 48.82500 ? 17  LEU A C   1 
ATOM   122  O  O   . LEU A 1 17  ? -11.19122 22.96269 -0.72172  1.000 49.40314 ? 17  LEU A O   1 
ATOM   123  C  CB  . LEU A 1 17  ? -9.78956  20.34685 -0.94348  1.000 47.72213 ? 17  LEU A CB  1 
ATOM   124  C  CG  . LEU A 1 17  ? -8.77676  19.67682 -0.01319  1.000 47.19728 ? 17  LEU A CG  1 
ATOM   125  C  CD1 . LEU A 1 17  ? -7.40752  19.62621 -0.66764  1.000 45.90551 ? 17  LEU A CD1 1 
ATOM   126  C  CD2 . LEU A 1 17  ? -8.70890  20.40401 1.32249   1.000 46.15266 ? 17  LEU A CD2 1 
ATOM   127  N  N   . ASP A 1 18  ? -12.84159 21.79091 -1.70013  1.000 50.45389 ? 18  ASP A N   1 
ATOM   128  C  CA  . ASP A 1 18  ? -13.44320 22.98056 -2.28761  1.000 49.28154 ? 18  ASP A CA  1 
ATOM   129  C  C   . ASP A 1 18  ? -14.09235 23.82041 -1.19313  1.000 49.93276 ? 18  ASP A C   1 
ATOM   130  O  O   . ASP A 1 18  ? -14.94474 23.32793 -0.44566  1.000 52.24167 ? 18  ASP A O   1 
ATOM   131  C  CB  . ASP A 1 18  ? -14.46696 22.59514 -3.35140  1.000 50.00192 ? 18  ASP A CB  1 
ATOM   132  C  CG  . ASP A 1 18  ? -14.75461 23.73242 -4.32191  1.000 51.05743 ? 18  ASP A CG  1 
ATOM   133  O  OD1 . ASP A 1 18  ? -14.48610 24.90578 -3.97304  1.000 49.95394 ? 18  ASP A OD1 1 
ATOM   134  O  OD2 . ASP A 1 18  ? -15.24739 23.45238 -5.43615  1.000 55.78569 ? 18  ASP A OD2 1 
ATOM   135  N  N   . ASN A 1 19  ? -13.67347 25.08505 -1.10027  1.000 48.10259 ? 19  ASN A N   1 
ATOM   136  C  CA  A ASN A 1 19  ? -14.17869 26.02205 -0.09823  0.486 48.59644 ? 19  ASN A CA  1 
ATOM   137  C  CA  B ASN A 1 19  ? -14.16987 26.02712 -0.09605  0.514 48.75311 ? 19  ASN A CA  1 
ATOM   138  C  C   . ASN A 1 19  ? -14.00063 25.48880 1.32241   1.000 49.48554 ? 19  ASN A C   1 
ATOM   139  O  O   . ASN A 1 19  ? -14.77787 25.81898 2.22172   1.000 48.85336 ? 19  ASN A O   1 
ATOM   140  C  CB  A ASN A 1 19  ? -15.64629 26.37790 -0.36057  0.486 48.93711 ? 19  ASN A CB  1 
ATOM   141  C  CB  B ASN A 1 19  ? -15.63213 26.40563 -0.35397  0.514 48.68657 ? 19  ASN A CB  1 
ATOM   142  C  CG  A ASN A 1 19  ? -15.84948 27.06732 -1.69845  0.486 49.76208 ? 19  ASN A CG  1 
ATOM   143  C  CG  B ASN A 1 19  ? -16.00163 27.74735 0.25298   0.514 48.93695 ? 19  ASN A CG  1 
ATOM   144  O  OD1 A ASN A 1 19  ? -15.03724 27.89362 -2.11440  0.486 49.15480 ? 19  ASN A OD1 1 
ATOM   145  O  OD1 B ASN A 1 19  ? -15.70866 28.79804 -0.31654  0.514 48.67654 ? 19  ASN A OD1 1 
ATOM   146  N  ND2 A ASN A 1 19  ? -16.93581 26.72561 -2.38140  0.486 50.44119 ? 19  ASN A ND2 1 
ATOM   147  N  ND2 B ASN A 1 19  ? -16.64821 27.71787 1.41381   0.514 49.35974 ? 19  ASN A ND2 1 
ATOM   148  N  N   . TYR A 1 20  ? -12.97994 24.65981 1.54342   1.000 47.85736 ? 20  TYR A N   1 
ATOM   149  C  CA  . TYR A 1 20  ? -12.69881 24.16645 2.88596   1.000 46.58665 ? 20  TYR A CA  1 
ATOM   150  C  C   . TYR A 1 20  ? -11.99891 25.26631 3.67464   1.000 47.50214 ? 20  TYR A C   1 
ATOM   151  O  O   . TYR A 1 20  ? -10.95438 25.77423 3.25012   1.000 46.03320 ? 20  TYR A O   1 
ATOM   152  C  CB  . TYR A 1 20  ? -11.85014 22.89725 2.85124   1.000 47.11830 ? 20  TYR A CB  1 
ATOM   153  C  CG  . TYR A 1 20  ? -11.63069 22.30167 4.22682   1.000 46.55917 ? 20  TYR A CG  1 
ATOM   154  C  CD1 . TYR A 1 20  ? -10.57661 22.72645 5.02725   1.000 45.51544 ? 20  TYR A CD1 1 
ATOM   155  C  CD2 . TYR A 1 20  ? -12.48448 21.32652 4.73256   1.000 46.09813 ? 20  TYR A CD2 1 
ATOM   156  C  CE1 . TYR A 1 20  ? -10.37425 22.19765 6.28472   1.000 45.31353 ? 20  TYR A CE1 1 
ATOM   157  C  CE2 . TYR A 1 20  ? -12.28657 20.78749 5.99518   1.000 45.86898 ? 20  TYR A CE2 1 
ATOM   158  C  CZ  . TYR A 1 20  ? -11.22905 21.22848 6.76504   1.000 45.59407 ? 20  TYR A CZ  1 
ATOM   159  O  OH  . TYR A 1 20  ? -11.01835 20.70371 8.02103   1.000 46.68946 ? 20  TYR A OH  1 
ATOM   160  N  N   . ARG A 1 21  ? -12.58100 25.63096 4.81865   1.000 45.74400 ? 21  ARG A N   1 
ATOM   161  C  CA  . ARG A 1 21  ? -12.14800 26.76047 5.63835   1.000 46.06816 ? 21  ARG A CA  1 
ATOM   162  C  C   . ARG A 1 21  ? -12.12248 28.06891 4.85138   1.000 46.42878 ? 21  ARG A C   1 
ATOM   163  O  O   . ARG A 1 21  ? -11.36052 28.98493 5.18849   1.000 47.04793 ? 21  ARG A O   1 
ATOM   164  C  CB  . ARG A 1 21  ? -10.77968 26.50080 6.28441   1.000 45.31253 ? 21  ARG A CB  1 
ATOM   165  N  N   . GLY A 1 22  ? -12.95140 28.17675 3.81095   1.000 46.35585 ? 22  GLY A N   1 
ATOM   166  C  CA  . GLY A 1 22  ? -13.07860 29.39585 3.04362   1.000 45.95351 ? 22  GLY A CA  1 
ATOM   167  C  C   . GLY A 1 22  ? -12.18054 29.50225 1.83220   1.000 45.87591 ? 22  GLY A C   1 
ATOM   168  O  O   . GLY A 1 22  ? -12.22688 30.52707 1.14257   1.000 47.20794 ? 22  GLY A O   1 
ATOM   169  N  N   . TYR A 1 23  ? -11.37149 28.48349 1.54570   1.000 45.98115 ? 23  TYR A N   1 
ATOM   170  C  CA  . TYR A 1 23  ? -10.40339 28.52182 0.45380   1.000 45.79683 ? 23  TYR A CA  1 
ATOM   171  C  C   . TYR A 1 23  ? -10.95378 27.73893 -0.73432  1.000 45.73994 ? 23  TYR A C   1 
ATOM   172  O  O   . TYR A 1 23  ? -10.97934 26.50440 -0.71143  1.000 44.84994 ? 23  TYR A O   1 
ATOM   173  C  CB  . TYR A 1 23  ? -9.05889  27.94985 0.90120   1.000 44.65602 ? 23  TYR A CB  1 
ATOM   174  C  CG  . TYR A 1 23  ? -8.33652  28.78164 1.93684   1.000 44.66796 ? 23  TYR A CG  1 
ATOM   175  C  CD1 . TYR A 1 23  ? -7.52016  29.84024 1.55719   1.000 43.89640 ? 23  TYR A CD1 1 
ATOM   176  C  CD2 . TYR A 1 23  ? -8.45532  28.49739 3.29166   1.000 43.95651 ? 23  TYR A CD2 1 
ATOM   177  C  CE1 . TYR A 1 23  ? -6.85242  30.60194 2.49897   1.000 43.55571 ? 23  TYR A CE1 1 
ATOM   178  C  CE2 . TYR A 1 23  ? -7.79068  29.25234 4.24162   1.000 44.61797 ? 23  TYR A CE2 1 
ATOM   179  C  CZ  . TYR A 1 23  ? -6.99047  30.30351 3.83929   1.000 43.89496 ? 23  TYR A CZ  1 
ATOM   180  O  OH  . TYR A 1 23  ? -6.32411  31.06081 4.77818   1.000 44.75108 ? 23  TYR A OH  1 
ATOM   181  N  N   . SER A 1 24  ? -11.35684 28.45702 -1.78293  1.000 46.55338 ? 24  SER A N   1 
ATOM   182  C  CA  . SER A 1 24  ? -11.88071 27.83061 -2.98804  1.000 46.32376 ? 24  SER A CA  1 
ATOM   183  C  C   . SER A 1 24  ? -10.86999 26.83910 -3.56724  1.000 46.06003 ? 24  SER A C   1 
ATOM   184  O  O   . SER A 1 24  ? -9.69220  26.82312 -3.20450  1.000 46.17221 ? 24  SER A O   1 
ATOM   185  C  CB  . SER A 1 24  ? -12.23100 28.88927 -4.02873  1.000 44.96574 ? 24  SER A CB  1 
ATOM   186  O  OG  . SER A 1 24  ? -11.06466 29.55158 -4.47764  1.000 45.68235 ? 24  SER A OG  1 
ATOM   187  N  N   . LEU A 1 25  ? -11.35350 26.00507 -4.49453  1.000 46.87374 ? 25  LEU A N   1 
ATOM   188  C  CA  . LEU A 1 25  ? -10.52875 24.92620 -5.03066  1.000 46.23382 ? 25  LEU A CA  1 
ATOM   189  C  C   . LEU A 1 25  ? -9.28795  25.45750 -5.73683  1.000 45.88145 ? 25  LEU A C   1 
ATOM   190  O  O   . LEU A 1 25  ? -8.23885  24.80483 -5.71899  1.000 44.96444 ? 25  LEU A O   1 
ATOM   191  C  CB  . LEU A 1 25  ? -11.35745 24.05910 -5.98117  1.000 47.72913 ? 25  LEU A CB  1 
ATOM   192  C  CG  . LEU A 1 25  ? -10.75937 22.73523 -6.46514  1.000 47.33459 ? 25  LEU A CG  1 
ATOM   193  C  CD1 . LEU A 1 25  ? -10.44278 21.81464 -5.29656  1.000 47.29395 ? 25  LEU A CD1 1 
ATOM   194  C  CD2 . LEU A 1 25  ? -11.70155 22.04692 -7.44147  1.000 48.40075 ? 25  LEU A CD2 1 
ATOM   195  N  N   . GLY A 1 26  ? -9.37937  26.63687 -6.35294  1.000 45.44800 ? 26  GLY A N   1 
ATOM   196  C  CA  . GLY A 1 26  ? -8.23304  27.18388 -7.05778  1.000 46.09404 ? 26  GLY A CA  1 
ATOM   197  C  C   . GLY A 1 26  ? -7.02612  27.41463 -6.17122  1.000 44.51861 ? 26  GLY A C   1 
ATOM   198  O  O   . GLY A 1 26  ? -5.88831  27.34370 -6.64425  1.000 43.49252 ? 26  GLY A O   1 
ATOM   199  N  N   . ASN A 1 27  ? -7.25093  27.69364 -4.88220  1.000 43.83433 ? 27  ASN A N   1 
ATOM   200  C  CA  . ASN A 1 27  ? -6.13650  27.91709 -3.96463  1.000 44.10388 ? 27  ASN A CA  1 
ATOM   201  C  C   . ASN A 1 27  ? -5.31939  26.64668 -3.76238  1.000 43.39548 ? 27  ASN A C   1 
ATOM   202  O  O   . ASN A 1 27  ? -4.08500  26.69781 -3.70721  1.000 42.61082 ? 27  ASN A O   1 
ATOM   203  C  CB  . ASN A 1 27  ? -6.64858  28.43542 -2.61910  1.000 44.10297 ? 27  ASN A CB  1 
ATOM   204  C  CG  . ASN A 1 27  ? -7.15413  29.85944 -2.69541  1.000 43.82372 ? 27  ASN A CG  1 
ATOM   205  O  OD1 . ASN A 1 27  ? -6.37040  30.80844 -2.69775  1.000 43.63938 ? 27  ASN A OD1 1 
ATOM   206  N  ND2 . ASN A 1 27  ? -8.47110  30.01768 -2.74737  1.000 44.09863 ? 27  ASN A ND2 1 
ATOM   207  N  N   . TRP A 1 28  ? -5.98762  25.49788 -3.64953  1.000 42.39988 ? 28  TRP A N   1 
ATOM   208  C  CA  . TRP A 1 28  ? -5.27340  24.25270 -3.38957  1.000 42.95933 ? 28  TRP A CA  1 
ATOM   209  C  C   . TRP A 1 28  ? -4.51728  23.77100 -4.62001  1.000 43.26390 ? 28  TRP A C   1 
ATOM   210  O  O   . TRP A 1 28  ? -3.38863  23.28033 -4.50203  1.000 43.60919 ? 28  TRP A O   1 
ATOM   211  C  CB  . TRP A 1 28  ? -6.25006  23.18427 -2.89827  1.000 43.02126 ? 28  TRP A CB  1 
ATOM   212  C  CG  . TRP A 1 28  ? -6.97515  23.61378 -1.66693  1.000 43.98510 ? 28  TRP A CG  1 
ATOM   213  C  CD1 . TRP A 1 28  ? -8.22588  24.15032 -1.59699  1.000 43.94633 ? 28  TRP A CD1 1 
ATOM   214  C  CD2 . TRP A 1 28  ? -6.47809  23.57827 -0.32638  1.000 43.52675 ? 28  TRP A CD2 1 
ATOM   215  N  NE1 . TRP A 1 28  ? -8.54494  24.43838 -0.29351  1.000 45.54034 ? 28  TRP A NE1 1 
ATOM   216  C  CE2 . TRP A 1 28  ? -7.48738  24.09686 0.50656   1.000 42.98412 ? 28  TRP A CE2 1 
ATOM   217  C  CE3 . TRP A 1 28  ? -5.27882  23.15088 0.25203   1.000 43.54789 ? 28  TRP A CE3 1 
ATOM   218  C  CZ2 . TRP A 1 28  ? -7.33651  24.20100 1.88384   1.000 43.66586 ? 28  TRP A CZ2 1 
ATOM   219  C  CZ3 . TRP A 1 28  ? -5.13044  23.25517 1.62005   1.000 42.84007 ? 28  TRP A CZ3 1 
ATOM   220  C  CH2 . TRP A 1 28  ? -6.15374  23.77630 2.42123   1.000 43.02570 ? 28  TRP A CH2 1 
ATOM   221  N  N   . VAL A 1 29  ? -5.12179  23.90467 -5.80324  1.000 43.14762 ? 29  VAL A N   1 
ATOM   222  C  CA  . VAL A 1 29  ? -4.44590  23.51839 -7.03706  1.000 42.32238 ? 29  VAL A CA  1 
ATOM   223  C  C   . VAL A 1 29  ? -3.26381  24.43815 -7.30781  1.000 42.40077 ? 29  VAL A C   1 
ATOM   224  O  O   . VAL A 1 29  ? -2.19588  23.98754 -7.73830  1.000 43.10412 ? 29  VAL A O   1 
ATOM   225  C  CB  . VAL A 1 29  ? -5.43884  23.52036 -8.21285  1.000 43.90077 ? 29  VAL A CB  1 
ATOM   226  C  CG1 . VAL A 1 29  ? -4.71781  23.18823 -9.51558  1.000 44.76475 ? 29  VAL A CG1 1 
ATOM   227  C  CG2 . VAL A 1 29  ? -6.57365  22.54493 -7.95169  1.000 42.24388 ? 29  VAL A CG2 1 
ATOM   228  N  N   . CYS A 1 30  ? -3.43714  25.74102 -7.06724  1.000 44.04606 ? 30  CYS A N   1 
ATOM   229  C  CA  . CYS A 1 30  ? -2.33583  26.68140 -7.24663  1.000 42.62023 ? 30  CYS A CA  1 
ATOM   230  C  C   . CYS A 1 30  ? -1.17192  26.34426 -6.32379  1.000 42.22464 ? 30  CYS A C   1 
ATOM   231  O  O   . CYS A 1 30  ? -0.01468  26.30908 -6.75873  1.000 41.04131 ? 30  CYS A O   1 
ATOM   232  C  CB  . CYS A 1 30  ? -2.81834  28.11187 -6.99860  1.000 42.37226 ? 30  CYS A CB  1 
ATOM   233  S  SG  . CYS A 1 30  ? -1.52501  29.37351 -7.16279  1.000 44.37834 ? 30  CYS A SG  1 
ATOM   234  N  N   . ALA A 1 31  ? -1.46342  26.08803 -5.04586  1.000 42.05208 ? 31  ALA A N   1 
ATOM   235  C  CA  . ALA A 1 31  ? -0.41317  25.75685 -4.08819  1.000 43.17327 ? 31  ALA A CA  1 
ATOM   236  C  C   . ALA A 1 31  ? 0.29678   24.46474 -4.47608  1.000 41.45001 ? 31  ALA A C   1 
ATOM   237  O  O   . ALA A 1 31  ? 1.53051   24.38702 -4.44913  1.000 44.22271 ? 31  ALA A O   1 
ATOM   238  C  CB  . ALA A 1 31  ? -1.00482  25.64812 -2.68126  1.000 42.29322 ? 31  ALA A CB  1 
ATOM   239  N  N   . ALA A 1 32  ? -0.46989  23.43375 -4.83887  1.000 42.31685 ? 32  ALA A N   1 
ATOM   240  C  CA  . ALA A 1 32  ? 0.14445   22.17819 -5.25735  1.000 43.75152 ? 32  ALA A CA  1 
ATOM   241  C  C   . ALA A 1 32  ? 1.04272   22.37128 -6.47088  1.000 44.73856 ? 32  ALA A C   1 
ATOM   242  O  O   . ALA A 1 32  ? 2.08578   21.71494 -6.58444  1.000 44.55974 ? 32  ALA A O   1 
ATOM   243  C  CB  . ALA A 1 32  ? -0.92958  21.13514 -5.55750  1.000 43.36988 ? 32  ALA A CB  1 
ATOM   244  N  N   . LYS A 1 33  ? 0.66297   23.27150 -7.37917  1.000 42.23934 ? 33  LYS A N   1 
ATOM   245  C  CA  . LYS A 1 33  ? 1.50941   23.56080 -8.52913  1.000 43.92914 ? 33  LYS A CA  1 
ATOM   246  C  C   . LYS A 1 33  ? 2.87048   24.08591 -8.09899  1.000 44.92322 ? 33  LYS A C   1 
ATOM   247  O  O   . LYS A 1 33  ? 3.90366   23.58818 -8.55402  1.000 44.59638 ? 33  LYS A O   1 
ATOM   248  C  CB  . LYS A 1 33  ? 0.82410   24.56886 -9.44937  1.000 45.07626 ? 33  LYS A CB  1 
ATOM   249  C  CG  . LYS A 1 33  ? 1.71449   25.07130 -10.58057 1.000 45.74722 ? 33  LYS A CG  1 
ATOM   250  C  CD  . LYS A 1 33  ? 2.04002   23.95655 -11.56220 1.000 47.33788 ? 33  LYS A CD  1 
ATOM   251  C  CE  . LYS A 1 33  ? 2.98190   24.44040 -12.65287 1.000 49.76796 ? 33  LYS A CE  1 
ATOM   252  N  NZ  . LYS A 1 33  ? 3.35574   23.34582 -13.59281 1.000 52.80610 ? 33  LYS A NZ  1 
ATOM   253  N  N   . PHE A 1 34  ? 2.89674   25.08115 -7.22020  1.000 44.06189 ? 34  PHE A N   1 
ATOM   254  C  CA  . PHE A 1 34  ? 4.15032   25.72480 -6.86651  1.000 44.49729 ? 34  PHE A CA  1 
ATOM   255  C  C   . PHE A 1 34  ? 4.88312   25.03532 -5.72706  1.000 43.59899 ? 34  PHE A C   1 
ATOM   256  O  O   . PHE A 1 34  ? 6.06591   25.31641 -5.52023  1.000 44.52689 ? 34  PHE A O   1 
ATOM   257  C  CB  . PHE A 1 34  ? 3.88978   27.19274 -6.53131  1.000 43.45065 ? 34  PHE A CB  1 
ATOM   258  C  CG  . PHE A 1 34  ? 3.40659   27.98186 -7.70538  1.000 44.21686 ? 34  PHE A CG  1 
ATOM   259  C  CD1 . PHE A 1 34  ? 4.04097   27.87074 -8.93031  1.000 43.40455 ? 34  PHE A CD1 1 
ATOM   260  C  CD2 . PHE A 1 34  ? 2.29578   28.79757 -7.60278  1.000 44.10219 ? 34  PHE A CD2 1 
ATOM   261  C  CE1 . PHE A 1 34  ? 3.59287   28.58369 -10.02633 1.000 44.39616 ? 34  PHE A CE1 1 
ATOM   262  C  CE2 . PHE A 1 34  ? 1.84132   29.51199 -8.69437  1.000 44.37274 ? 34  PHE A CE2 1 
ATOM   263  C  CZ  . PHE A 1 34  ? 2.49332   29.40392 -9.91014  1.000 43.98181 ? 34  PHE A CZ  1 
ATOM   264  N  N   . GLU A 1 35  ? 4.22811   24.13783 -4.99379  1.000 43.79842 ? 35  GLU A N   1 
ATOM   265  C  CA  . GLU A 1 35  ? 4.92202   23.40094 -3.94620  1.000 44.28058 ? 35  GLU A CA  1 
ATOM   266  C  C   . GLU A 1 35  ? 5.61143   22.15806 -4.49623  1.000 44.01256 ? 35  GLU A C   1 
ATOM   267  O  O   . GLU A 1 35  ? 6.77355   21.89600 -4.17456  1.000 44.20316 ? 35  GLU A O   1 
ATOM   268  C  CB  . GLU A 1 35  ? 3.94394   23.01041 -2.83521  1.000 43.29910 ? 35  GLU A CB  1 
ATOM   269  C  CG  . GLU A 1 35  ? 3.45551   24.17246 -1.98347  1.000 43.51426 ? 35  GLU A CG  1 
ATOM   270  C  CD  . GLU A 1 35  ? 4.48982   24.64391 -0.98183  1.000 44.44026 ? 35  GLU A CD  1 
ATOM   271  O  OE1 . GLU A 1 35  ? 5.52163   23.95817 -0.82468  1.000 43.95016 ? 35  GLU A OE1 1 
ATOM   272  O  OE2 . GLU A 1 35  ? 4.26669   25.69964 -0.35093  1.000 45.03318 ? 35  GLU A OE2 1 
ATOM   273  N  N   . SER A 1 36  ? 4.91251   21.40058 -5.34281  1.000 44.06551 ? 36  SER A N   1 
ATOM   274  C  CA  . SER A 1 36  ? 5.36916   20.09160 -5.77939  1.000 44.43619 ? 36  SER A CA  1 
ATOM   275  C  C   . SER A 1 36  ? 5.38229   19.91740 -7.28778  1.000 44.88084 ? 36  SER A C   1 
ATOM   276  O  O   . SER A 1 36  ? 5.82167   18.86381 -7.76452  1.000 46.38746 ? 36  SER A O   1 
ATOM   277  C  CB  . SER A 1 36  ? 4.47926   18.99616 -5.18198  1.000 44.48090 ? 36  SER A CB  1 
ATOM   278  O  OG  . SER A 1 36  ? 3.19118   19.04043 -5.77426  1.000 44.43385 ? 36  SER A OG  1 
ATOM   279  N  N   . ASN A 1 37  ? 4.89277   20.89795 -8.04649  1.000 45.94717 ? 37  ASN A N   1 
ATOM   280  C  CA  . ASN A 1 37  ? 4.75421   20.77528 -9.49727  1.000 46.85472 ? 37  ASN A CA  1 
ATOM   281  C  C   . ASN A 1 37  ? 3.83102   19.61418 -9.85712  1.000 46.71340 ? 37  ASN A C   1 
ATOM   282  O  O   . ASN A 1 37  ? 4.05176   18.90491 -10.84025 1.000 46.74400 ? 37  ASN A O   1 
ATOM   283  C  CB  . ASN A 1 37  ? 6.11801   20.62373 -10.17662 1.000 47.95054 ? 37  ASN A CB  1 
ATOM   284  C  CG  . ASN A 1 37  ? 6.21285   21.40554 -11.46070 1.000 51.40567 ? 37  ASN A CG  1 
ATOM   285  O  OD1 . ASN A 1 37  ? 5.23921   21.51647 -12.20505 1.000 52.03058 ? 37  ASN A OD1 1 
ATOM   286  N  ND2 . ASN A 1 37  ? 7.38683   21.96860 -11.72505 1.000 62.68066 ? 37  ASN A ND2 1 
ATOM   287  N  N   . PHE A 1 38  ? 2.79962   19.41145 -9.03387  1.000 46.66984 ? 38  PHE A N   1 
ATOM   288  C  CA  . PHE A 1 38  ? 1.80158   18.35536 -9.20273  1.000 46.25294 ? 38  PHE A CA  1 
ATOM   289  C  C   . PHE A 1 38  ? 2.39152   16.95257 -9.04344  1.000 46.30269 ? 38  PHE A C   1 
ATOM   290  O  O   . PHE A 1 38  ? 1.77631   15.96861 -9.46356  1.000 47.77260 ? 38  PHE A O   1 
ATOM   291  C  CB  . PHE A 1 38  ? 1.08495   18.47890 -10.55487 1.000 47.19374 ? 38  PHE A CB  1 
ATOM   292  C  CG  . PHE A 1 38  ? 0.25203   19.72361 -10.69273 1.000 46.22684 ? 38  PHE A CG  1 
ATOM   293  C  CD1 . PHE A 1 38  ? -0.28970  20.33675 -9.57806  1.000 45.96095 ? 38  PHE A CD1 1 
ATOM   294  C  CD2 . PHE A 1 38  ? 0.00565   20.27683 -11.93954 1.000 47.47172 ? 38  PHE A CD2 1 
ATOM   295  C  CE1 . PHE A 1 38  ? -1.06530  21.47756 -9.70292  1.000 45.80510 ? 38  PHE A CE1 1 
ATOM   296  C  CE2 . PHE A 1 38  ? -0.76683  21.41914 -12.06804 1.000 47.51393 ? 38  PHE A CE2 1 
ATOM   297  C  CZ  . PHE A 1 38  ? -1.30010  22.01801 -10.94973 1.000 46.17783 ? 38  PHE A CZ  1 
ATOM   298  N  N   . ASN A 1 39  ? 3.55990   16.83191 -8.41703  1.000 46.30060 ? 39  ASN A N   1 
ATOM   299  C  CA  . ASN A 1 39  ? 4.24961   15.55461 -8.26420  1.000 46.77278 ? 39  ASN A CA  1 
ATOM   300  C  C   . ASN A 1 39  ? 4.08340   15.05297 -6.83414  1.000 46.56834 ? 39  ASN A C   1 
ATOM   301  O  O   . ASN A 1 39  ? 4.52791   15.71021 -5.88676  1.000 46.07816 ? 39  ASN A O   1 
ATOM   302  C  CB  . ASN A 1 39  ? 5.73113   15.69885 -8.61568  1.000 46.84378 ? 39  ASN A CB  1 
ATOM   303  C  CG  . ASN A 1 39  ? 6.49778   14.39483 -8.48512  1.000 46.80204 ? 39  ASN A CG  1 
ATOM   304  O  OD1 . ASN A 1 39  ? 5.91074   13.31790 -8.38657  1.000 46.20724 ? 39  ASN A OD1 1 
ATOM   305  N  ND2 . ASN A 1 39  ? 7.82226   14.48927 -8.49103  1.000 47.42802 ? 39  ASN A ND2 1 
ATOM   306  N  N   . THR A 1 40  ? 3.45394   13.88392 -6.68179  1.000 46.20328 ? 40  THR A N   1 
ATOM   307  C  CA  . THR A 1 40  ? 3.24385   13.32434 -5.35102  1.000 46.51970 ? 40  THR A CA  1 
ATOM   308  C  C   . THR A 1 40  ? 4.54006   12.86980 -4.69640  1.000 47.05443 ? 40  THR A C   1 
ATOM   309  O  O   . THR A 1 40  ? 4.58576   12.74584 -3.46914  1.000 47.20031 ? 40  THR A O   1 
ATOM   310  C  CB  . THR A 1 40  ? 2.27338   12.13967 -5.40420  1.000 47.81755 ? 40  THR A CB  1 
ATOM   311  O  OG1 . THR A 1 40  ? 2.82078   11.10096 -6.22642  1.000 47.80708 ? 40  THR A OG1 1 
ATOM   312  C  CG2 . THR A 1 40  ? 0.92803   12.56603 -5.96008  1.000 47.60359 ? 40  THR A CG2 1 
ATOM   313  N  N   . GLN A 1 41  ? 5.58741   12.61143 -5.47731  1.000 46.88298 ? 41  GLN A N   1 
ATOM   314  C  CA  . GLN A 1 41  ? 6.84745   12.11531 -4.94362  1.000 47.16340 ? 41  GLN A CA  1 
ATOM   315  C  C   . GLN A 1 41  ? 7.84265   13.22943 -4.65988  1.000 46.43772 ? 41  GLN A C   1 
ATOM   316  O  O   . GLN A 1 41  ? 9.03556   12.95480 -4.47605  1.000 46.94080 ? 41  GLN A O   1 
ATOM   317  C  CB  . GLN A 1 41  ? 7.45839   11.09531 -5.90464  1.000 46.25165 ? 41  GLN A CB  1 
ATOM   318  C  CG  . GLN A 1 41  ? 6.52352   9.94434  -6.22331  1.000 47.41792 ? 41  GLN A CG  1 
ATOM   319  C  CD  . GLN A 1 41  ? 7.19282   8.86862  -7.04390  1.000 47.89505 ? 41  GLN A CD  1 
ATOM   320  O  OE1 . GLN A 1 41  ? 6.81127   8.61562  -8.18592  1.000 48.35468 ? 41  GLN A OE1 1 
ATOM   321  N  NE2 . GLN A 1 41  ? 8.19723   8.22462  -6.46522  1.000 46.34520 ? 41  GLN A NE2 1 
ATOM   322  N  N   . ALA A 1 42  ? 7.38307   14.47366 -4.61600  1.000 45.48275 ? 42  ALA A N   1 
ATOM   323  C  CA  . ALA A 1 42  ? 8.27841   15.59475 -4.38546  1.000 46.67403 ? 42  ALA A CA  1 
ATOM   324  C  C   . ALA A 1 42  ? 8.73456   15.61937 -2.93279  1.000 46.14710 ? 42  ALA A C   1 
ATOM   325  O  O   . ALA A 1 42  ? 7.92586   15.47915 -2.00953  1.000 43.85952 ? 42  ALA A O   1 
ATOM   326  C  CB  . ALA A 1 42  ? 7.59417   16.90997 -4.75169  1.000 46.68035 ? 42  ALA A CB  1 
ATOM   327  N  N   . THR A 1 43  ? 10.03865  15.77767 -2.73886  1.000 46.85740 ? 43  THR A N   1 
ATOM   328  C  CA  . THR A 1 43  ? 10.62536  15.96739 -1.42483  1.000 46.42027 ? 43  THR A CA  1 
ATOM   329  C  C   . THR A 1 43  ? 11.62298  17.10967 -1.50000  1.000 47.75601 ? 43  THR A C   1 
ATOM   330  O  O   . THR A 1 43  ? 12.22984  17.35962 -2.54579  1.000 47.83236 ? 43  THR A O   1 
ATOM   331  C  CB  . THR A 1 43  ? 11.32539  14.70416 -0.91107  1.000 46.33927 ? 43  THR A CB  1 
ATOM   332  O  OG1 . THR A 1 43  ? 12.29946  14.27549 -1.87009  1.000 46.52476 ? 43  THR A OG1 1 
ATOM   333  C  CG2 . THR A 1 43  ? 10.31484  13.59189 -0.67619  1.000 45.15117 ? 43  THR A CG2 1 
ATOM   334  N  N   . ASN A 1 44  ? 11.77403  17.80925 -0.38058  1.000 48.00599 ? 44  ASN A N   1 
ATOM   335  C  CA  . ASN A 1 44  ? 12.69558  18.92880 -0.29206  1.000 47.52237 ? 44  ASN A CA  1 
ATOM   336  C  C   . ASN A 1 44  ? 13.20488  19.02018 1.13403   1.000 48.08687 ? 44  ASN A C   1 
ATOM   337  O  O   . ASN A 1 44  ? 12.43702  18.86956 2.08789   1.000 47.37098 ? 44  ASN A O   1 
ATOM   338  C  CB  . ASN A 1 44  ? 12.03537  20.24684 -0.71061  1.000 47.83231 ? 44  ASN A CB  1 
ATOM   339  C  CG  . ASN A 1 44  ? 11.86388  20.35997 -2.21272  1.000 48.46673 ? 44  ASN A CG  1 
ATOM   340  O  OD1 . ASN A 1 44  ? 12.80811  20.68489 -2.93369  1.000 49.10081 ? 44  ASN A OD1 1 
ATOM   341  N  ND2 . ASN A 1 44  ? 10.65325  20.09535 -2.69311  1.000 47.95809 ? 44  ASN A ND2 1 
ATOM   342  N  N   . ARG A 1 45  ? 14.50251  19.25984 1.26311   1.000 49.01231 ? 45  ARG A N   1 
ATOM   343  C  CA  . ARG A 1 45  ? 15.15335  19.35809 2.55693   1.000 49.60478 ? 45  ARG A CA  1 
ATOM   344  C  C   . ARG A 1 45  ? 15.15081  20.79810 3.04983   1.000 50.35390 ? 45  ARG A C   1 
ATOM   345  O  O   . ARG A 1 45  ? 15.44765  21.72588 2.29139   1.000 50.80931 ? 45  ARG A O   1 
ATOM   346  C  CB  . ARG A 1 45  ? 16.58904  18.84899 2.45955   1.000 50.25769 ? 45  ARG A CB  1 
ATOM   347  C  CG  . ARG A 1 45  ? 17.29873  18.83549 3.78399   1.000 50.99384 ? 45  ARG A CG  1 
ATOM   348  C  CD  . ARG A 1 45  ? 16.50967  17.99776 4.75383   1.000 51.79563 ? 45  ARG A CD  1 
ATOM   349  N  NE  . ARG A 1 45  ? 16.27762  16.65930 4.22447   1.000 52.06994 ? 45  ARG A NE  1 
ATOM   350  C  CZ  . ARG A 1 45  ? 16.87739  15.56484 4.67572   1.000 56.43228 ? 45  ARG A CZ  1 
ATOM   351  N  NH1 . ARG A 1 45  ? 17.73288  15.61074 5.68834   1.000 53.35823 ? 45  ARG A NH1 1 
ATOM   352  N  NH2 . ARG A 1 45  ? 16.61273  14.39468 4.09908   1.000 51.33578 ? 45  ARG A NH2 1 
ATOM   353  N  N   . ASN A 1 46  ? 14.82725  20.97983 4.32586   1.000 50.03333 ? 46  ASN A N   1 
ATOM   354  C  CA  . ASN A 1 46  ? 14.88026  22.29160 4.95388   1.000 51.59947 ? 46  ASN A CA  1 
ATOM   355  C  C   . ASN A 1 46  ? 16.18391  22.45918 5.72614   1.000 51.66475 ? 46  ASN A C   1 
ATOM   356  O  O   . ASN A 1 46  ? 16.85533  21.48640 6.07936   1.000 52.04481 ? 46  ASN A O   1 
ATOM   357  C  CB  . ASN A 1 46  ? 13.68743  22.50097 5.88826   1.000 50.98077 ? 46  ASN A CB  1 
ATOM   358  C  CG  . ASN A 1 46  ? 12.36188  22.40127 5.16861   1.000 50.17450 ? 46  ASN A CG  1 
ATOM   359  O  OD1 . ASN A 1 46  ? 11.51380  21.58212 5.52205   1.000 49.42350 ? 46  ASN A OD1 1 
ATOM   360  N  ND2 . ASN A 1 46  ? 12.17345  23.23573 4.15086   1.000 50.04563 ? 46  ASN A ND2 1 
ATOM   361  N  N   . THR A 1 47  ? 16.53055  23.72074 5.99520   1.000 52.59434 ? 47  THR A N   1 
ATOM   362  C  CA  . THR A 1 47  ? 17.80478  24.01138 6.64636   1.000 53.04544 ? 47  THR A CA  1 
ATOM   363  C  C   . THR A 1 47  ? 17.88039  23.41177 8.04511   1.000 53.22662 ? 47  THR A C   1 
ATOM   364  O  O   . THR A 1 47  ? 18.94949  22.94895 8.45732   1.000 52.72640 ? 47  THR A O   1 
ATOM   365  C  CB  . THR A 1 47  ? 18.04256  25.52334 6.70792   1.000 53.54929 ? 47  THR A CB  1 
ATOM   366  O  OG1 . THR A 1 47  ? 16.98406  26.15147 7.44197   1.000 53.91378 ? 47  THR A OG1 1 
ATOM   367  C  CG2 . THR A 1 47  ? 18.09903  26.11547 5.30659   1.000 53.66781 ? 47  THR A CG2 1 
ATOM   368  N  N   . ASP A 1 48  ? 16.76805  23.39354 8.78176   1.000 53.12461 ? 48  ASP A N   1 
ATOM   369  C  CA  . ASP A 1 48  ? 16.77600  22.87644 10.14519  1.000 53.23665 ? 48  ASP A CA  1 
ATOM   370  C  C   . ASP A 1 48  ? 16.86771  21.35661 10.21153  1.000 53.38592 ? 48  ASP A C   1 
ATOM   371  O  O   . ASP A 1 48  ? 16.89442  20.80357 11.31683  1.000 54.07677 ? 48  ASP A O   1 
ATOM   372  C  CB  . ASP A 1 48  ? 15.53156  23.35743 10.90398  1.000 53.98467 ? 48  ASP A CB  1 
ATOM   373  C  CG  . ASP A 1 48  ? 14.22849  22.94025 10.23653  1.000 53.43523 ? 48  ASP A CG  1 
ATOM   374  O  OD1 . ASP A 1 48  ? 14.26780  22.22250 9.21602   1.000 52.64409 ? 48  ASP A OD1 1 
ATOM   375  O  OD2 . ASP A 1 48  ? 13.15699  23.33956 10.73769  1.000 53.85851 ? 48  ASP A OD2 1 
ATOM   376  N  N   . GLY A 1 49  ? 16.91716  20.67084 9.07021   1.000 53.33242 ? 49  GLY A N   1 
ATOM   377  C  CA  . GLY A 1 49  ? 17.00176  19.23091 9.02882   1.000 53.11962 ? 49  GLY A CA  1 
ATOM   378  C  C   . GLY A 1 49  ? 15.70173  18.53163 8.69144   1.000 52.46274 ? 49  GLY A C   1 
ATOM   379  O  O   . GLY A 1 49  ? 15.72828  17.35201 8.31989   1.000 52.84833 ? 49  GLY A O   1 
ATOM   380  N  N   . SER A 1 50  ? 14.56940  19.22056 8.81376   1.000 51.84560 ? 50  SER A N   1 
ATOM   381  C  CA  . SER A 1 50  ? 13.29193  18.62795 8.45476   1.000 50.30450 ? 50  SER A CA  1 
ATOM   382  C  C   . SER A 1 50  ? 13.15551  18.53708 6.93431   1.000 49.81780 ? 50  SER A C   1 
ATOM   383  O  O   . SER A 1 50  ? 13.92141  19.13208 6.17148   1.000 49.80893 ? 50  SER A O   1 
ATOM   384  C  CB  . SER A 1 50  ? 12.14249  19.43661 9.05112   1.000 49.86103 ? 50  SER A CB  1 
ATOM   385  O  OG  . SER A 1 50  ? 12.22477  20.79462 8.66210   1.000 50.66746 ? 50  SER A OG  1 
ATOM   386  N  N   . THR A 1 51  ? 12.15968  17.77323 6.49634   1.000 48.94000 ? 51  THR A N   1 
ATOM   387  C  CA  . THR A 1 51  ? 11.93033  17.52172 5.08221   1.000 48.08399 ? 51  THR A CA  1 
ATOM   388  C  C   . THR A 1 51  ? 10.46102  17.76436 4.76172   1.000 47.56362 ? 51  THR A C   1 
ATOM   389  O  O   . THR A 1 51  ? 9.58352   17.47616 5.58015   1.000 45.89529 ? 51  THR A O   1 
ATOM   390  C  CB  . THR A 1 51  ? 12.34269  16.08469 4.70891   1.000 48.28325 ? 51  THR A CB  1 
ATOM   391  O  OG1 . THR A 1 51  ? 13.71038  15.86159 5.08292   1.000 48.61640 ? 51  THR A OG1 1 
ATOM   392  C  CG2 . THR A 1 51  ? 12.19203  15.83907 3.21324   1.000 46.94321 ? 51  THR A CG2 1 
ATOM   393  N  N   . ASP A 1 52  ? 10.19929  18.31933 3.58028   1.000 45.36733 ? 52  ASP A N   1 
ATOM   394  C  CA  . ASP A 1 52  ? 8.83881   18.52352 3.10200   1.000 46.34426 ? 52  ASP A CA  1 
ATOM   395  C  C   . ASP A 1 52  ? 8.44928   17.38411 2.16951   1.000 45.81670 ? 52  ASP A C   1 
ATOM   396  O  O   . ASP A 1 52  ? 9.24962   16.94353 1.33986   1.000 44.30125 ? 52  ASP A O   1 
ATOM   397  C  CB  . ASP A 1 52  ? 8.71081   19.86575 2.37988   1.000 46.12058 ? 52  ASP A CB  1 
ATOM   398  C  CG  . ASP A 1 52  ? 9.07730   21.04562 3.26563   1.000 45.74767 ? 52  ASP A CG  1 
ATOM   399  O  OD1 . ASP A 1 52  ? 8.80349   21.00120 4.48349   1.000 46.82476 ? 52  ASP A OD1 1 
ATOM   400  O  OD2 . ASP A 1 52  ? 9.64485   22.02407 2.74241   1.000 47.59950 ? 52  ASP A OD2 1 
ATOM   401  N  N   . TYR A 1 53  ? 7.21588   16.90281 2.31186   1.000 45.45413 ? 53  TYR A N   1 
ATOM   402  C  CA  . TYR A 1 53  ? 6.78939   15.69416 1.62215   1.000 43.67492 ? 53  TYR A CA  1 
ATOM   403  C  C   . TYR A 1 53  ? 5.48957   15.91059 0.86576   1.000 44.09333 ? 53  TYR A C   1 
ATOM   404  O  O   . TYR A 1 53  ? 4.55839   16.54825 1.36680   1.000 44.89582 ? 53  TYR A O   1 
ATOM   405  C  CB  . TYR A 1 53  ? 6.59972   14.52694 2.59628   1.000 44.79291 ? 53  TYR A CB  1 
ATOM   406  C  CG  . TYR A 1 53  ? 7.86270   14.07934 3.28514   1.000 44.91805 ? 53  TYR A CG  1 
ATOM   407  C  CD1 . TYR A 1 53  ? 8.23673   14.62717 4.50321   1.000 45.40292 ? 53  TYR A CD1 1 
ATOM   408  C  CD2 . TYR A 1 53  ? 8.68013   13.10773 2.72074   1.000 43.65626 ? 53  TYR A CD2 1 
ATOM   409  C  CE1 . TYR A 1 53  ? 9.38955   14.22214 5.14490   1.000 45.70681 ? 53  TYR A CE1 1 
ATOM   410  C  CE2 . TYR A 1 53  ? 9.83561   12.69625 3.35450   1.000 45.17423 ? 53  TYR A CE2 1 
ATOM   411  C  CZ  . TYR A 1 53  ? 10.18481  13.25705 4.56685   1.000 45.11921 ? 53  TYR A CZ  1 
ATOM   412  O  OH  . TYR A 1 53  ? 11.33331  12.85553 5.20344   1.000 47.16157 ? 53  TYR A OH  1 
ATOM   413  N  N   . GLY A 1 54  ? 5.43719   15.36229 -0.34025  1.000 45.24486 ? 54  GLY A N   1 
ATOM   414  C  CA  . GLY A 1 54  ? 4.17951   15.13924 -1.01353  1.000 44.94953 ? 54  GLY A CA  1 
ATOM   415  C  C   . GLY A 1 54  ? 3.72190   16.27612 -1.89896  1.000 45.08231 ? 54  GLY A C   1 
ATOM   416  O  O   . GLY A 1 54  ? 4.40937   17.27474 -2.14081  1.000 44.41899 ? 54  GLY A O   1 
ATOM   417  N  N   . ILE A 1 55  ? 2.49246   16.09535 -2.38650  1.000 45.36837 ? 55  ILE A N   1 
ATOM   418  C  CA  . ILE A 1 55  ? 1.87356   17.03365 -3.31425  1.000 44.17198 ? 55  ILE A CA  1 
ATOM   419  C  C   . ILE A 1 55  ? 1.78669   18.43410 -2.71365  1.000 45.14111 ? 55  ILE A C   1 
ATOM   420  O  O   . ILE A 1 55  ? 1.84054   19.43625 -3.43940  1.000 42.67086 ? 55  ILE A O   1 
ATOM   421  C  CB  . ILE A 1 55  ? 0.49069   16.48126 -3.72747  1.000 45.35856 ? 55  ILE A CB  1 
ATOM   422  C  CG1 . ILE A 1 55  ? -0.03480  17.18729 -4.97357  1.000 45.09428 ? 55  ILE A CG1 1 
ATOM   423  C  CG2 . ILE A 1 55  ? -0.49782  16.52732 -2.56553  1.000 45.16060 ? 55  ILE A CG2 1 
ATOM   424  C  CD1 . ILE A 1 55  ? 0.64611   16.71908 -6.22481  1.000 45.87627 ? 55  ILE A CD1 1 
ATOM   425  N  N   . LEU A 1 56  ? 1.67629   18.53419 -1.38798  1.000 43.92254 ? 56  LEU A N   1 
ATOM   426  C  CA  . LEU A 1 56  ? 1.54948   19.82281 -0.71929  1.000 43.54932 ? 56  LEU A CA  1 
ATOM   427  C  C   . LEU A 1 56  ? 2.74099   20.14816 0.17501   1.000 43.98984 ? 56  LEU A C   1 
ATOM   428  O  O   . LEU A 1 56  ? 2.67252   21.10998 0.94969   1.000 43.58679 ? 56  LEU A O   1 
ATOM   429  C  CB  . LEU A 1 56  ? 0.24971   19.87107 0.08854   1.000 43.84245 ? 56  LEU A CB  1 
ATOM   430  C  CG  . LEU A 1 56  ? -1.01930  20.06028 -0.74949  1.000 43.66789 ? 56  LEU A CG  1 
ATOM   431  C  CD1 . LEU A 1 56  ? -2.26379  19.89318 0.10395   1.000 43.04446 ? 56  LEU A CD1 1 
ATOM   432  C  CD2 . LEU A 1 56  ? -1.00915  21.42605 -1.42204  1.000 42.85734 ? 56  LEU A CD2 1 
ATOM   433  N  N   . GLN A 1 57  ? 3.82199   19.37372 0.09286   1.000 43.47436 ? 57  GLN A N   1 
ATOM   434  C  CA  . GLN A 1 57  ? 5.08186   19.67417 0.77429   1.000 44.59458 ? 57  GLN A CA  1 
ATOM   435  C  C   . GLN A 1 57  ? 4.86881   19.88575 2.27525   1.000 43.32993 ? 57  GLN A C   1 
ATOM   436  O  O   . GLN A 1 57  ? 5.29257   20.87952 2.86929   1.000 44.13727 ? 57  GLN A O   1 
ATOM   437  C  CB  . GLN A 1 57  ? 5.76485   20.87926 0.12507   1.000 43.59575 ? 57  GLN A CB  1 
ATOM   438  C  CG  . GLN A 1 57  ? 6.36695   20.56660 -1.23684  1.000 44.19390 ? 57  GLN A CG  1 
ATOM   439  C  CD  . GLN A 1 57  ? 7.54573   19.61122 -1.14262  1.000 44.90695 ? 57  GLN A CD  1 
ATOM   440  O  OE1 . GLN A 1 57  ? 8.67035   20.02662 -0.86588  1.000 46.43356 ? 57  GLN A OE1 1 
ATOM   441  N  NE2 . GLN A 1 57  ? 7.29219   18.32626 -1.36441  1.000 42.91971 ? 57  GLN A NE2 1 
ATOM   442  N  N   . ILE A 1 58  ? 4.20196   18.90939 2.87935   1.000 43.72421 ? 58  ILE A N   1 
ATOM   443  C  CA  . ILE A 1 58  ? 3.85376   18.95980 4.29371   1.000 43.70950 ? 58  ILE A CA  1 
ATOM   444  C  C   . ILE A 1 58  ? 5.09629   18.66893 5.12699   1.000 45.33014 ? 58  ILE A C   1 
ATOM   445  O  O   . ILE A 1 58  ? 5.80900   17.68635 4.88518   1.000 45.66207 ? 58  ILE A O   1 
ATOM   446  C  CB  . ILE A 1 58  ? 2.71908   17.97030 4.59818   1.000 44.09789 ? 58  ILE A CB  1 
ATOM   447  C  CG1 . ILE A 1 58  ? 1.42064   18.44040 3.93292   1.000 43.28125 ? 58  ILE A CG1 1 
ATOM   448  C  CG2 . ILE A 1 58  ? 2.53543   17.79976 6.08907   1.000 44.54838 ? 58  ILE A CG2 1 
ATOM   449  C  CD1 . ILE A 1 58  ? 0.23792   17.53154 4.18619   1.000 43.62722 ? 58  ILE A CD1 1 
ATOM   450  N  N   . ASN A 1 59  ? 5.34949   19.51928 6.12022   1.000 45.09993 ? 59  ASN A N   1 
ATOM   451  C  CA  . ASN A 1 59  ? 6.62094   19.52688 6.83115   1.000 46.20678 ? 59  ASN A CA  1 
ATOM   452  C  C   . ASN A 1 59  ? 6.67899   18.43336 7.89272   1.000 46.90344 ? 59  ASN A C   1 
ATOM   453  O  O   . ASN A 1 59  ? 5.71317   18.20386 8.62656   1.000 47.10146 ? 59  ASN A O   1 
ATOM   454  C  CB  . ASN A 1 59  ? 6.84332   20.89407 7.47816   1.000 46.14497 ? 59  ASN A CB  1 
ATOM   455  C  CG  . ASN A 1 59  ? 8.24845   21.06726 8.00986   1.000 47.95040 ? 59  ASN A CG  1 
ATOM   456  O  OD1 . ASN A 1 59  ? 9.14282   20.28101 7.70288   1.000 50.31072 ? 59  ASN A OD1 1 
ATOM   457  N  ND2 . ASN A 1 59  ? 8.45378   22.10904 8.80591   1.000 50.56144 ? 59  ASN A ND2 1 
ATOM   458  N  N   . SER A 1 60  ? 7.83221   17.76621 7.97795   1.000 46.37163 ? 60  SER A N   1 
ATOM   459  C  CA  . SER A 1 60  ? 8.05015   16.72838 8.97786   1.000 46.78518 ? 60  SER A CA  1 
ATOM   460  C  C   . SER A 1 60  ? 8.31936   17.28832 10.36833  1.000 48.06004 ? 60  SER A C   1 
ATOM   461  O  O   . SER A 1 60  ? 8.29352   16.52352 11.33706  1.000 49.11761 ? 60  SER A O   1 
ATOM   462  C  CB  . SER A 1 60  ? 9.21789   15.82678 8.56476   1.000 47.57938 ? 60  SER A CB  1 
ATOM   463  O  OG  . SER A 1 60  ? 10.45838  16.51220 8.66519   1.000 47.18425 ? 60  SER A OG  1 
ATOM   464  N  N   . ARG A 1 61  ? 8.57827   18.59222 10.49456  1.000 47.82937 ? 61  ARG A N   1 
ATOM   465  C  CA  . ARG A 1 61  ? 8.85015   19.16835 11.80555  1.000 49.15484 ? 61  ARG A CA  1 
ATOM   466  C  C   . ARG A 1 61  ? 7.62243   19.16984 12.70583  1.000 49.23958 ? 61  ARG A C   1 
ATOM   467  O  O   . ARG A 1 61  ? 7.77144   19.22988 13.92958  1.000 50.74070 ? 61  ARG A O   1 
ATOM   468  C  CB  . ARG A 1 61  ? 9.38575   20.59478 11.65905  1.000 49.17033 ? 61  ARG A CB  1 
ATOM   469  N  N   . TRP A 1 62  ? 6.41907   19.09324 12.13797  1.000 48.86226 ? 62  TRP A N   1 
ATOM   470  C  CA  . TRP A 1 62  ? 5.20758   19.20731 12.94045  1.000 48.67570 ? 62  TRP A CA  1 
ATOM   471  C  C   . TRP A 1 62  ? 4.17475   18.13275 12.62749  1.000 47.32584 ? 62  TRP A C   1 
ATOM   472  O  O   . TRP A 1 62  ? 3.40312   17.73926 13.50571  1.000 49.86907 ? 62  TRP A O   1 
ATOM   473  C  CB  . TRP A 1 62  ? 4.55936   20.57744 12.73465  1.000 48.79236 ? 62  TRP A CB  1 
ATOM   474  C  CG  . TRP A 1 62  ? 5.39454   21.73462 13.16580  1.000 51.19165 ? 62  TRP A CG  1 
ATOM   475  C  CD1 . TRP A 1 62  ? 6.07588   22.59674 12.36107  1.000 51.67191 ? 62  TRP A CD1 1 
ATOM   476  C  CD2 . TRP A 1 62  ? 5.63062   22.16809 14.51144  1.000 52.78651 ? 62  TRP A CD2 1 
ATOM   477  N  NE1 . TRP A 1 62  ? 6.72666   23.54095 13.12139  1.000 52.35224 ? 62  TRP A NE1 1 
ATOM   478  C  CE2 . TRP A 1 62  ? 6.46952   23.29839 14.44502  1.000 52.85152 ? 62  TRP A CE2 1 
ATOM   479  C  CE3 . TRP A 1 62  ? 5.21710   21.70719 15.76530  1.000 53.70650 ? 62  TRP A CE3 1 
ATOM   480  C  CZ2 . TRP A 1 62  ? 6.90324   23.97636 15.58660  1.000 55.80280 ? 62  TRP A CZ2 1 
ATOM   481  C  CZ3 . TRP A 1 62  ? 5.64702   22.37999 16.89636  1.000 59.94201 ? 62  TRP A CZ3 1 
ATOM   482  C  CH2 . TRP A 1 62  ? 6.48212   23.50276 16.79905  1.000 57.93144 ? 62  TRP A CH2 1 
ATOM   483  N  N   . TRP A 1 63  ? 4.14178   17.65055 11.38735  1.000 47.84142 ? 63  TRP A N   1 
ATOM   484  C  CA  . TRP A 1 63  ? 2.94855   16.98942 10.87503  1.000 47.50631 ? 63  TRP A CA  1 
ATOM   485  C  C   . TRP A 1 63  ? 3.10584   15.50688 10.58966  1.000 47.57100 ? 63  TRP A C   1 
ATOM   486  O  O   . TRP A 1 63  ? 2.11093   14.78334 10.62392  1.000 47.76287 ? 63  TRP A O   1 
ATOM   487  C  CB  . TRP A 1 63  ? 2.48069   17.68611 9.59632   1.000 46.63011 ? 63  TRP A CB  1 
ATOM   488  C  CG  . TRP A 1 63  ? 2.38406   19.15782 9.76650   1.000 45.02365 ? 63  TRP A CG  1 
ATOM   489  C  CD1 . TRP A 1 63  ? 3.22584   20.10056 9.25620   1.000 46.19515 ? 63  TRP A CD1 1 
ATOM   490  C  CD2 . TRP A 1 63  ? 1.39955   19.86309 10.52526  1.000 44.72775 ? 63  TRP A CD2 1 
ATOM   491  N  NE1 . TRP A 1 63  ? 2.81664   21.35670 9.63948   1.000 45.65595 ? 63  TRP A NE1 1 
ATOM   492  C  CE2 . TRP A 1 63  ? 1.69657   21.23681 10.42061  1.000 46.03037 ? 63  TRP A CE2 1 
ATOM   493  C  CE3 . TRP A 1 63  ? 0.28844   19.46708 11.27628  1.000 45.59103 ? 63  TRP A CE3 1 
ATOM   494  C  CZ2 . TRP A 1 63  ? 0.92268   22.21698 11.04132  1.000 45.38363 ? 63  TRP A CZ2 1 
ATOM   495  C  CZ3 . TRP A 1 63  ? -0.48031  20.44331 11.89348  1.000 45.29770 ? 63  TRP A CZ3 1 
ATOM   496  C  CH2 . TRP A 1 63  ? -0.15857  21.80094 11.77145  1.000 45.51849 ? 63  TRP A CH2 1 
ATOM   497  N  N   . CYS A 1 64  ? 4.30786   15.03242 10.29134  1.000 46.49287 ? 64  CYS A N   1 
ATOM   498  C  CA  . CYS A 1 64  ? 4.48944   13.62338 9.99358   1.000 47.32047 ? 64  CYS A CA  1 
ATOM   499  C  C   . CYS A 1 64  ? 5.80234   13.15506 10.59720  1.000 47.10343 ? 64  CYS A C   1 
ATOM   500  O  O   . CYS A 1 64  ? 6.63589   13.95623 11.02284  1.000 48.22573 ? 64  CYS A O   1 
ATOM   501  C  CB  . CYS A 1 64  ? 4.44312   13.35370 8.47974   1.000 47.00114 ? 64  CYS A CB  1 
ATOM   502  S  SG  . CYS A 1 64  ? 5.75296   14.13273 7.52307   1.000 45.22852 ? 64  CYS A SG  1 
ATOM   503  N  N   . ASN A 1 65  ? 5.96818   11.83951 10.64637  1.000 47.19319 ? 65  ASN A N   1 
ATOM   504  C  CA  . ASN A 1 65  ? 7.15304   11.21396 11.21722  1.000 49.15736 ? 65  ASN A CA  1 
ATOM   505  C  C   . ASN A 1 65  ? 7.96277   10.58660 10.09226  1.000 46.85430 ? 65  ASN A C   1 
ATOM   506  O  O   . ASN A 1 65  ? 7.44314   9.75554  9.33882   1.000 48.24120 ? 65  ASN A O   1 
ATOM   507  C  CB  . ASN A 1 65  ? 6.76876   10.16659 12.26524  1.000 48.44426 ? 65  ASN A CB  1 
ATOM   508  C  CG  . ASN A 1 65  ? 7.95133   9.32567  12.71451  1.000 49.11898 ? 65  ASN A CG  1 
ATOM   509  O  OD1 . ASN A 1 65  ? 8.89778   9.83255  13.31867  1.000 49.12942 ? 65  ASN A OD1 1 
ATOM   510  N  ND2 . ASN A 1 65  ? 7.89853   8.02992  12.42460  1.000 48.69649 ? 65  ASN A ND2 1 
ATOM   511  N  N   . ASP A 1 66  ? 9.22293   11.00283 9.96638   1.000 47.71366 ? 66  ASP A N   1 
ATOM   512  C  CA  . ASP A 1 66  ? 10.15077  10.40034 9.01912   1.000 48.08689 ? 66  ASP A CA  1 
ATOM   513  C  C   . ASP A 1 66  ? 11.34957  9.75658  9.69837   1.000 48.56515 ? 66  ASP A C   1 
ATOM   514  O  O   . ASP A 1 66  ? 12.28081  9.33135  9.00796   1.000 47.60266 ? 66  ASP A O   1 
ATOM   515  C  CB  . ASP A 1 66  ? 10.62654  11.43942 7.99459   1.000 47.48391 ? 66  ASP A CB  1 
ATOM   516  C  CG  . ASP A 1 66  ? 11.31202  12.63380 8.63511   1.000 48.14682 ? 66  ASP A CG  1 
ATOM   517  O  OD1 . ASP A 1 66  ? 11.43926  12.67174 9.87749   1.000 48.76315 ? 66  ASP A OD1 1 
ATOM   518  O  OD2 . ASP A 1 66  ? 11.72248  13.54487 7.88708   1.000 47.77651 ? 66  ASP A OD2 1 
ATOM   519  N  N   . GLY A 1 67  ? 11.35394  9.68249  11.02824  1.000 49.40477 ? 67  GLY A N   1 
ATOM   520  C  CA  . GLY A 1 67  ? 12.42374  9.04035  11.75831  1.000 49.28731 ? 67  GLY A CA  1 
ATOM   521  C  C   . GLY A 1 67  ? 13.76009  9.73427  11.70289  1.000 49.94596 ? 67  GLY A C   1 
ATOM   522  O  O   . GLY A 1 67  ? 14.74711  9.17097  12.18285  1.000 51.91192 ? 67  GLY A O   1 
ATOM   523  N  N   . ARG A 1 68  ? 13.82991  10.94107 11.13816  1.000 50.77059 ? 68  ARG A N   1 
ATOM   524  C  CA  A ARG A 1 68  ? 15.10124  11.64607 11.03544  0.643 50.71082 ? 68  ARG A CA  1 
ATOM   525  C  CA  B ARG A 1 68  ? 15.10376  11.64301 11.04327  0.357 50.71638 ? 68  ARG A CA  1 
ATOM   526  C  C   . ARG A 1 68  ? 14.99036  13.12103 11.40611  1.000 51.13945 ? 68  ARG A C   1 
ATOM   527  O  O   . ARG A 1 68  ? 15.91387  13.88929 11.11065  1.000 51.74135 ? 68  ARG A O   1 
ATOM   528  C  CB  A ARG A 1 68  ? 15.68359  11.51386 9.62307   0.643 51.27174 ? 68  ARG A CB  1 
ATOM   529  C  CB  B ARG A 1 68  ? 15.68999  11.49349 9.63473   0.357 51.27101 ? 68  ARG A CB  1 
ATOM   530  C  CG  A ARG A 1 68  ? 14.78021  12.04753 8.51811   0.643 50.81589 ? 68  ARG A CG  1 
ATOM   531  C  CG  B ARG A 1 68  ? 17.20150  11.66231 9.55611   0.357 51.51897 ? 68  ARG A CG  1 
ATOM   532  C  CD  A ARG A 1 68  ? 15.56759  12.40418 7.26347   0.643 51.35270 ? 68  ARG A CD  1 
ATOM   533  C  CD  B ARG A 1 68  ? 17.65603  11.70469 8.11338   0.357 51.87454 ? 68  ARG A CD  1 
ATOM   534  N  NE  A ARG A 1 68  ? 16.62777  13.36515 7.54909   0.643 52.01008 ? 68  ARG A NE  1 
ATOM   535  N  NE  B ARG A 1 68  ? 16.53152  11.79955 7.19013   0.357 51.30948 ? 68  ARG A NE  1 
ATOM   536  C  CZ  A ARG A 1 68  ? 17.91818  13.06268 7.62151   0.643 52.79599 ? 68  ARG A CZ  1 
ATOM   537  C  CZ  B ARG A 1 68  ? 16.64252  11.77506 5.86945   0.357 50.70300 ? 68  ARG A CZ  1 
ATOM   538  N  NH1 A ARG A 1 68  ? 18.35591  11.83727 7.38238   0.643 53.39614 ? 68  ARG A NH1 1 
ATOM   539  N  NH1 B ARG A 1 68  ? 17.81901  11.64846 5.27679   0.357 50.52865 ? 68  ARG A NH1 1 
ATOM   540  N  NH2 A ARG A 1 68  ? 18.79113  14.01203 7.94798   0.643 53.64503 ? 68  ARG A NH2 1 
ATOM   541  N  NH2 B ARG A 1 68  ? 15.54565  11.87910 5.12485   0.357 50.02434 ? 68  ARG A NH2 1 
ATOM   542  N  N   . THR A 1 69  ? 13.89678  13.54814 12.03374  1.000 51.36786 ? 69  THR A N   1 
ATOM   543  C  CA  . THR A 1 69  ? 13.70685  14.93207 12.46139  1.000 51.44517 ? 69  THR A CA  1 
ATOM   544  C  C   . THR A 1 69  ? 13.58606  14.92086 13.97980  1.000 52.21362 ? 69  THR A C   1 
ATOM   545  O  O   . THR A 1 69  ? 12.47243  14.90696 14.52698  1.000 52.93823 ? 69  THR A O   1 
ATOM   546  C  CB  . THR A 1 69  ? 12.48070  15.56307 11.80365  1.000 51.00237 ? 69  THR A CB  1 
ATOM   547  O  OG1 . THR A 1 69  ? 12.50306  15.29093 10.39670  1.000 50.00442 ? 69  THR A OG1 1 
ATOM   548  C  CG2 . THR A 1 69  ? 12.49422  17.06881 12.00918  1.000 49.92732 ? 69  THR A CG2 1 
ATOM   549  N  N   . PRO A 1 70  ? 14.70942  14.91989 14.69578  1.000 52.71642 ? 70  PRO A N   1 
ATOM   550  C  CA  . PRO A 1 70  ? 14.65425  14.83237 16.15929  1.000 53.21064 ? 70  PRO A CA  1 
ATOM   551  C  C   . PRO A 1 70  ? 13.93780  16.02978 16.76608  1.000 53.51233 ? 70  PRO A C   1 
ATOM   552  O  O   . PRO A 1 70  ? 14.07592  17.16261 16.30029  1.000 53.45009 ? 70  PRO A O   1 
ATOM   553  C  CB  . PRO A 1 70  ? 16.13177  14.79745 16.56920  1.000 53.50272 ? 70  PRO A CB  1 
ATOM   554  C  CG  . PRO A 1 70  ? 16.87966  14.40880 15.32820  1.000 53.35024 ? 70  PRO A CG  1 
ATOM   555  C  CD  . PRO A 1 70  ? 16.09214  14.98368 14.19581  1.000 52.86641 ? 70  PRO A CD  1 
ATOM   556  N  N   . GLY A 1 71  ? 13.16657  15.76495 17.81918  1.000 53.88911 ? 71  GLY A N   1 
ATOM   557  C  CA  . GLY A 1 71  ? 12.44404  16.81428 18.50844  1.000 54.05775 ? 71  GLY A CA  1 
ATOM   558  C  C   . GLY A 1 71  ? 11.22625  17.34180 17.78631  1.000 54.11595 ? 71  GLY A C   1 
ATOM   559  O  O   . GLY A 1 71  ? 10.68285  18.37458 18.19025  1.000 55.02459 ? 71  GLY A O   1 
ATOM   560  N  N   . SER A 1 72  ? 10.77638  16.66514 16.73596  1.000 53.39795 ? 72  SER A N   1 
ATOM   561  C  CA  . SER A 1 72  ? 9.63833   17.10942 15.94926  1.000 52.61940 ? 72  SER A CA  1 
ATOM   562  C  C   . SER A 1 72  ? 8.35610   16.42794 16.41761  1.000 52.96647 ? 72  SER A C   1 
ATOM   563  O  O   . SER A 1 72  ? 8.36503   15.51436 17.24710  1.000 53.50186 ? 72  SER A O   1 
ATOM   564  C  CB  . SER A 1 72  ? 9.86725   16.82279 14.46821  1.000 51.26916 ? 72  SER A CB  1 
ATOM   565  O  OG  . SER A 1 72  ? 9.83803   15.43168 14.22878  1.000 51.31090 ? 72  SER A OG  1 
ATOM   566  N  N   . ARG A 1 73  ? 7.24041   16.88571 15.86267  1.000 52.15006 ? 73  ARG A N   1 
ATOM   567  C  CA  . ARG A 1 73  ? 5.92581   16.36183 16.18595  1.000 51.87433 ? 73  ARG A CA  1 
ATOM   568  C  C   . ARG A 1 73  ? 5.37006   15.58920 14.99924  1.000 50.36419 ? 73  ARG A C   1 
ATOM   569  O  O   . ARG A 1 73  ? 5.87378   15.67724 13.87641  1.000 50.65955 ? 73  ARG A O   1 
ATOM   570  C  CB  . ARG A 1 73  ? 4.97144   17.49399 16.57708  1.000 53.08882 ? 73  ARG A CB  1 
ATOM   571  C  CG  . ARG A 1 73  ? 5.41358   18.26637 17.80675  1.000 55.51002 ? 73  ARG A CG  1 
ATOM   572  C  CD  . ARG A 1 73  ? 5.05479   17.51780 19.07418  1.000 58.42816 ? 73  ARG A CD  1 
ATOM   573  N  NE  . ARG A 1 73  ? 3.61903   17.56040 19.32714  1.000 61.07520 ? 73  ARG A NE  1 
ATOM   574  C  CZ  . ARG A 1 73  ? 3.01180   16.93007 20.32327  1.000 62.46859 ? 73  ARG A CZ  1 
ATOM   575  N  NH1 . ARG A 1 73  ? 3.68575   16.17629 21.17705  1.000 62.92204 ? 73  ARG A NH1 1 
ATOM   576  N  NH2 . ARG A 1 73  ? 1.69491   17.05886 20.46592  1.000 62.86800 ? 73  ARG A NH2 1 
ATOM   577  N  N   . ASN A 1 74  ? 4.32606   14.81078 15.27143  1.000 50.15875 ? 74  ASN A N   1 
ATOM   578  C  CA  . ASN A 1 74  ? 3.64130   14.01283 14.25992  1.000 49.13367 ? 74  ASN A CA  1 
ATOM   579  C  C   . ASN A 1 74  ? 2.13818   14.26437 14.37659  1.000 49.81650 ? 74  ASN A C   1 
ATOM   580  O  O   . ASN A 1 74  ? 1.34233   13.35899 14.62307  1.000 49.43768 ? 74  ASN A O   1 
ATOM   581  C  CB  . ASN A 1 74  ? 3.98841   12.53099 14.41293  1.000 49.37775 ? 74  ASN A CB  1 
ATOM   582  C  CG  . ASN A 1 74  ? 3.37308   11.66632 13.32772  1.000 49.24750 ? 74  ASN A CG  1 
ATOM   583  O  OD1 . ASN A 1 74  ? 2.90397   12.16556 12.30722  1.000 49.28773 ? 74  ASN A OD1 1 
ATOM   584  N  ND2 . ASN A 1 74  ? 3.36839   10.35760 13.54946  1.000 49.83430 ? 74  ASN A ND2 1 
ATOM   585  N  N   . LEU A 1 75  ? 1.75086   15.52890 14.17788  1.000 48.85971 ? 75  LEU A N   1 
ATOM   586  C  CA  . LEU A 1 75  ? 0.38508   15.94445 14.48572  1.000 49.23791 ? 75  LEU A CA  1 
ATOM   587  C  C   . LEU A 1 75  ? -0.64807  15.26539 13.59228  1.000 48.82405 ? 75  LEU A C   1 
ATOM   588  O  O   . LEU A 1 75  ? -1.80780  15.11958 13.99468  1.000 50.39656 ? 75  LEU A O   1 
ATOM   589  C  CB  . LEU A 1 75  ? 0.26535   17.46501 14.38843  1.000 46.68020 ? 75  LEU A CB  1 
ATOM   590  C  CG  . LEU A 1 75  ? 1.01521   18.22994 15.48498  1.000 49.18727 ? 75  LEU A CG  1 
ATOM   591  C  CD1 . LEU A 1 75  ? 0.83615   19.73690 15.33905  1.000 48.14171 ? 75  LEU A CD1 1 
ATOM   592  C  CD2 . LEU A 1 75  ? 0.57912   17.76269 16.86633  1.000 51.03898 ? 75  LEU A CD2 1 
ATOM   593  N  N   . CYS A 1 76  ? -0.26238  14.83977 12.39254  1.000 49.19494 ? 76  CYS A N   1 
ATOM   594  C  CA  . CYS A 1 76  ? -1.18313  14.10583 11.53500  1.000 48.79000 ? 76  CYS A CA  1 
ATOM   595  C  C   . CYS A 1 76  ? -1.11253  12.59862 11.74947  1.000 50.10507 ? 76  CYS A C   1 
ATOM   596  O  O   . CYS A 1 76  ? -1.91672  11.86780 11.15983  1.000 50.53885 ? 76  CYS A O   1 
ATOM   597  C  CB  . CYS A 1 76  ? -0.92640  14.45334 10.06200  1.000 48.15266 ? 76  CYS A CB  1 
ATOM   598  S  SG  . CYS A 1 76  ? -1.37602  16.16554 9.64041   1.000 47.41480 ? 76  CYS A SG  1 
ATOM   599  N  N   . ASN A 1 77  ? -0.17734  12.12751 12.58102  1.000 50.31143 ? 77  ASN A N   1 
ATOM   600  C  CA  . ASN A 1 77  ? -0.11086  10.73063 13.02330  1.000 50.95526 ? 77  ASN A CA  1 
ATOM   601  C  C   . ASN A 1 77  ? 0.04544   9.77251  11.84426  1.000 49.99114 ? 77  ASN A C   1 
ATOM   602  O  O   . ASN A 1 77  ? -0.66883  8.77501  11.71944  1.000 50.16146 ? 77  ASN A O   1 
ATOM   603  C  CB  . ASN A 1 77  ? -1.33164  10.36852 13.87016  1.000 51.92901 ? 77  ASN A CB  1 
ATOM   604  C  CG  . ASN A 1 77  ? -1.49650  11.28573 15.06266  1.000 56.49339 ? 77  ASN A CG  1 
ATOM   605  O  OD1 . ASN A 1 77  ? -2.52545  11.94386 15.21661  1.000 55.97935 ? 77  ASN A OD1 1 
ATOM   606  N  ND2 . ASN A 1 77  ? -0.47424  11.34516 15.90881  1.000 53.43987 ? 77  ASN A ND2 1 
ATOM   607  N  N   . ILE A 1 78  ? 1.00458   10.08149 10.97931  1.000 49.64757 ? 78  ILE A N   1 
ATOM   608  C  CA  . ILE A 1 78  ? 1.25194   9.29371  9.77633   1.000 48.76257 ? 78  ILE A CA  1 
ATOM   609  C  C   . ILE A 1 78  ? 2.74509   9.27736  9.48975   1.000 48.10191 ? 78  ILE A C   1 
ATOM   610  O  O   . ILE A 1 78  ? 3.45653   10.23423 9.83280   1.000 48.73657 ? 78  ILE A O   1 
ATOM   611  C  CB  . ILE A 1 78  ? 0.49339   9.85750  8.56454   1.000 48.96898 ? 78  ILE A CB  1 
ATOM   612  C  CG1 . ILE A 1 78  ? 0.58724   11.38738 8.56376   1.000 48.59020 ? 78  ILE A CG1 1 
ATOM   613  C  CG2 . ILE A 1 78  ? -0.94179  9.36225  8.54160   1.000 48.75187 ? 78  ILE A CG2 1 
ATOM   614  C  CD1 . ILE A 1 78  ? 0.37907   12.01212 7.21053   1.000 47.93817 ? 78  ILE A CD1 1 
ATOM   615  N  N   . PRO A 1 79  ? 3.26049   8.22952  8.85706   1.000 47.82559 ? 79  PRO A N   1 
ATOM   616  C  CA  . PRO A 1 79  ? 4.61221   8.31078  8.30617   1.000 47.46824 ? 79  PRO A CA  1 
ATOM   617  C  C   . PRO A 1 79  ? 4.61487   9.27820  7.13581   1.000 46.87529 ? 79  PRO A C   1 
ATOM   618  O  O   . PRO A 1 79  ? 3.65272   9.34731  6.36736   1.000 46.45122 ? 79  PRO A O   1 
ATOM   619  C  CB  . PRO A 1 79  ? 4.90750   6.87412  7.85449   1.000 47.31483 ? 79  PRO A CB  1 
ATOM   620  C  CG  . PRO A 1 79  ? 3.76562   6.02782  8.40393   1.000 47.57548 ? 79  PRO A CG  1 
ATOM   621  C  CD  . PRO A 1 79  ? 2.60804   6.95328  8.52690   1.000 47.43285 ? 79  PRO A CD  1 
ATOM   622  N  N   . CYS A 1 80  ? 5.70071   10.04280 7.01302   1.000 47.16452 ? 80  CYS A N   1 
ATOM   623  C  CA  . CYS A 1 80  ? 5.80046   11.00200 5.91922   1.000 45.73136 ? 80  CYS A CA  1 
ATOM   624  C  C   . CYS A 1 80  ? 5.76701   10.32849 4.55306   1.000 45.84586 ? 80  CYS A C   1 
ATOM   625  O  O   . CYS A 1 80  ? 5.44948   10.98828 3.55651   1.000 46.54926 ? 80  CYS A O   1 
ATOM   626  C  CB  . CYS A 1 80  ? 7.08110   11.82380 6.05337   1.000 45.51004 ? 80  CYS A CB  1 
ATOM   627  S  SG  . CYS A 1 80  ? 7.25117   12.76704 7.58570   1.000 46.11536 ? 80  CYS A SG  1 
ATOM   628  N  N   . SER A 1 81  ? 6.09429   9.03502  4.48390   1.000 46.01144 ? 81  SER A N   1 
ATOM   629  C  CA  . SER A 1 81  ? 6.08578   8.32833  3.20713   1.000 47.18198 ? 81  SER A CA  1 
ATOM   630  C  C   . SER A 1 81  ? 4.67174   8.15441  2.66894   1.000 46.10297 ? 81  SER A C   1 
ATOM   631  O  O   . SER A 1 81  ? 4.48529   8.03976  1.45340   1.000 47.33062 ? 81  SER A O   1 
ATOM   632  C  CB  . SER A 1 81  ? 6.76635   6.96669  3.35593   1.000 47.19715 ? 81  SER A CB  1 
ATOM   633  O  OG  . SER A 1 81  ? 6.03506   6.13090  4.23919   1.000 47.28996 ? 81  SER A OG  1 
ATOM   634  N  N   . ALA A 1 82  ? 3.66882   8.13282  3.54967   1.000 45.85585 ? 82  ALA A N   1 
ATOM   635  C  CA  . ALA A 1 82  ? 2.28418   8.06103  3.09935   1.000 46.72142 ? 82  ALA A CA  1 
ATOM   636  C  C   . ALA A 1 82  ? 1.87759   9.29312  2.30364   1.000 46.70062 ? 82  ALA A C   1 
ATOM   637  O  O   . ALA A 1 82  ? 0.93156   9.22493  1.51105   1.000 47.65625 ? 82  ALA A O   1 
ATOM   638  C  CB  . ALA A 1 82  ? 1.35170   7.88061  4.29759   1.000 46.62716 ? 82  ALA A CB  1 
ATOM   639  N  N   . LEU A 1 83  ? 2.56809   10.41701 2.50198   1.000 46.42937 ? 83  LEU A N   1 
ATOM   640  C  CA  . LEU A 1 83  ? 2.30181   11.63336 1.74687   1.000 45.60606 ? 83  LEU A CA  1 
ATOM   641  C  C   . LEU A 1 83  ? 2.84934   11.57532 0.32876   1.000 46.49031 ? 83  LEU A C   1 
ATOM   642  O  O   . LEU A 1 83  ? 2.50977   12.44337 -0.48037  1.000 47.86744 ? 83  LEU A O   1 
ATOM   643  C  CB  . LEU A 1 83  ? 2.89349   12.83993 2.48087   1.000 45.90284 ? 83  LEU A CB  1 
ATOM   644  C  CG  . LEU A 1 83  ? 2.39665   13.05735 3.91176   1.000 45.30993 ? 83  LEU A CG  1 
ATOM   645  C  CD1 . LEU A 1 83  ? 3.11249   14.22762 4.57309   1.000 44.64851 ? 83  LEU A CD1 1 
ATOM   646  C  CD2 . LEU A 1 83  ? 0.89213   13.26643 3.92192   1.000 45.24153 ? 83  LEU A CD2 1 
ATOM   647  N  N   . LEU A 1 84  ? 3.68214   10.58694 0.01103   1.000 47.08482 ? 84  LEU A N   1 
ATOM   648  C  CA  . LEU A 1 84  ? 4.25672   10.44104 -1.31726  1.000 47.10546 ? 84  LEU A CA  1 
ATOM   649  C  C   . LEU A 1 84  ? 3.47745   9.46774  -2.18920  1.000 48.92720 ? 84  LEU A C   1 
ATOM   650  O  O   . LEU A 1 84  ? 3.94338   9.11831  -3.27895  1.000 53.29163 ? 84  LEU A O   1 
ATOM   651  C  CB  . LEU A 1 84  ? 5.71417   9.98952  -1.21115  1.000 47.42814 ? 84  LEU A CB  1 
ATOM   652  C  CG  . LEU A 1 84  ? 6.63760   10.88851 -0.38978  1.000 47.23765 ? 84  LEU A CG  1 
ATOM   653  C  CD1 . LEU A 1 84  ? 8.06821   10.42154 -0.51282  1.000 46.97980 ? 84  LEU A CD1 1 
ATOM   654  C  CD2 . LEU A 1 84  ? 6.51867   12.33221 -0.83329  1.000 46.61818 ? 84  LEU A CD2 1 
ATOM   655  N  N   . SER A 1 85  ? 2.30973   9.02509  -1.73627  1.000 48.52867 ? 85  SER A N   1 
ATOM   656  C  CA  . SER A 1 85  ? 1.51360   8.06379  -2.47764  1.000 49.61050 ? 85  SER A CA  1 
ATOM   657  C  C   . SER A 1 85  ? 0.75547   8.74483  -3.61228  1.000 50.22748 ? 85  SER A C   1 
ATOM   658  O  O   . SER A 1 85  ? 0.50510   9.95301  -3.59385  1.000 50.85932 ? 85  SER A O   1 
ATOM   659  C  CB  . SER A 1 85  ? 0.52777   7.36077  -1.54663  1.000 50.28406 ? 85  SER A CB  1 
ATOM   660  O  OG  . SER A 1 85  ? -0.39743  6.58476  -2.28018  1.000 50.76363 ? 85  SER A OG  1 
ATOM   661  N  N   . SER A 1 86  ? 0.38129   7.94220  -4.61183  1.000 51.17031 ? 86  SER A N   1 
ATOM   662  C  CA  . SER A 1 86  ? -0.46849  8.44046  -5.68721  1.000 51.24514 ? 86  SER A CA  1 
ATOM   663  C  C   . SER A 1 86  ? -1.88492  8.72512  -5.20665  1.000 51.52198 ? 86  SER A C   1 
ATOM   664  O  O   . SER A 1 86  ? -2.62273  9.45524  -5.87846  1.000 51.59571 ? 86  SER A O   1 
ATOM   665  C  CB  . SER A 1 86  ? -0.49275  7.44051  -6.84353  1.000 52.89418 ? 86  SER A CB  1 
ATOM   666  O  OG  . SER A 1 86  ? -0.92611  6.16310  -6.40535  1.000 55.69568 ? 86  SER A OG  1 
ATOM   667  N  N   . ASP A 1 87  ? -2.27663  8.15748  -4.06982  1.000 51.36538 ? 87  ASP A N   1 
ATOM   668  C  CA  . ASP A 1 87  ? -3.52536  8.49914  -3.40468  1.000 51.31214 ? 87  ASP A CA  1 
ATOM   669  C  C   . ASP A 1 87  ? -3.27292  9.71077  -2.51266  1.000 50.66105 ? 87  ASP A C   1 
ATOM   670  O  O   . ASP A 1 87  ? -2.46511  9.64319  -1.57945  1.000 50.68005 ? 87  ASP A O   1 
ATOM   671  C  CB  . ASP A 1 87  ? -4.03543  7.30791  -2.59363  1.000 51.79155 ? 87  ASP A CB  1 
ATOM   672  C  CG  . ASP A 1 87  ? -5.45001  7.50757  -2.07202  1.000 52.24219 ? 87  ASP A CG  1 
ATOM   673  O  OD1 . ASP A 1 87  ? -6.00148  8.61717  -2.21967  1.000 54.04320 ? 87  ASP A OD1 1 
ATOM   674  O  OD2 . ASP A 1 87  ? -6.01585  6.54499  -1.51011  1.000 53.72334 ? 87  ASP A OD2 1 
ATOM   675  N  N   . ILE A 1 88  ? -3.95964  10.81537 -2.79795  1.000 49.45479 ? 88  ILE A N   1 
ATOM   676  C  CA  . ILE A 1 88  ? -3.70013  12.07793 -2.11298  1.000 49.33461 ? 88  ILE A CA  1 
ATOM   677  C  C   . ILE A 1 88  ? -4.51865  12.16134 -0.83446  1.000 47.26238 ? 88  ILE A C   1 
ATOM   678  O  O   . ILE A 1 88  ? -4.55042  13.20728 -0.17622  1.000 48.22438 ? 88  ILE A O   1 
ATOM   679  C  CB  . ILE A 1 88  ? -4.00765  13.28002 -3.02261  1.000 48.73707 ? 88  ILE A CB  1 
ATOM   680  C  CG1 . ILE A 1 88  ? -5.46373  13.21954 -3.49613  1.000 49.40559 ? 88  ILE A CG1 1 
ATOM   681  C  CG2 . ILE A 1 88  ? -3.04299  13.31993 -4.19719  1.000 49.35304 ? 88  ILE A CG2 1 
ATOM   682  C  CD1 . ILE A 1 88  ? -6.08959  14.57808 -3.73073  1.000 48.90065 ? 88  ILE A CD1 1 
ATOM   683  N  N   . THR A 1 89  ? -5.18983  11.06386 -0.48038  1.000 47.77511 ? 89  THR A N   1 
ATOM   684  C  CA  . THR A 1 89  ? -6.08131  11.07819 0.67567   1.000 48.89939 ? 89  THR A CA  1 
ATOM   685  C  C   . THR A 1 89  ? -5.34029  11.47271 1.94782   1.000 46.94546 ? 89  THR A C   1 
ATOM   686  O  O   . THR A 1 89  ? -5.82552  12.30713 2.72191   1.000 47.15156 ? 89  THR A O   1 
ATOM   687  C  CB  . THR A 1 89  ? -6.74726  9.71030  0.83744   1.000 49.24723 ? 89  THR A CB  1 
ATOM   688  O  OG1 . THR A 1 89  ? -7.56990  9.44466  -0.30525  1.000 49.49460 ? 89  THR A OG1 1 
ATOM   689  C  CG2 . THR A 1 89  ? -7.60360  9.67143  2.08806   1.000 48.36571 ? 89  THR A CG2 1 
ATOM   690  N  N   . ALA A 1 90  ? -4.15885  10.89200 2.17513   1.000 46.85554 ? 90  ALA A N   1 
ATOM   691  C  CA  . ALA A 1 90  ? -3.38033  11.23627 3.35993   1.000 46.07788 ? 90  ALA A CA  1 
ATOM   692  C  C   . ALA A 1 90  ? -2.99869  12.70963 3.36412   1.000 46.30985 ? 90  ALA A C   1 
ATOM   693  O  O   . ALA A 1 90  ? -3.16209  13.39225 4.38094   1.000 46.16889 ? 90  ALA A O   1 
ATOM   694  C  CB  . ALA A 1 90  ? -2.12904  10.36371 3.44270   1.000 46.17264 ? 90  ALA A CB  1 
ATOM   695  N  N   . SER A 1 91  ? -2.49837  13.21986 2.23502   1.000 45.58433 ? 91  SER A N   1 
ATOM   696  C  CA  . SER A 1 91  ? -2.04625  14.60538 2.18739   1.000 45.13440 ? 91  SER A CA  1 
ATOM   697  C  C   . SER A 1 91  ? -3.20130  15.57834 2.36152   1.000 45.78930 ? 91  SER A C   1 
ATOM   698  O  O   . SER A 1 91  ? -3.01750  16.65717 2.93625   1.000 45.21848 ? 91  SER A O   1 
ATOM   699  C  CB  . SER A 1 91  ? -1.31653  14.87520 0.87247   1.000 44.88048 ? 91  SER A CB  1 
ATOM   700  O  OG  . SER A 1 91  ? -0.11363  14.12926 0.80570   1.000 45.84546 ? 91  SER A OG  1 
ATOM   701  N  N   . VAL A 1 92  ? -4.39307  15.21633 1.88618   1.000 45.81917 ? 92  VAL A N   1 
ATOM   702  C  CA  . VAL A 1 92  ? -5.53843  16.11152 2.00332   1.000 46.16459 ? 92  VAL A CA  1 
ATOM   703  C  C   . VAL A 1 92  ? -6.00966  16.18687 3.45288   1.000 44.35301 ? 92  VAL A C   1 
ATOM   704  O  O   . VAL A 1 92  ? -6.20845  17.27800 3.99892   1.000 45.65492 ? 92  VAL A O   1 
ATOM   705  C  CB  . VAL A 1 92  ? -6.66404  15.66689 1.05078   1.000 46.01294 ? 92  VAL A CB  1 
ATOM   706  C  CG1 . VAL A 1 92  ? -7.99894  16.24996 1.49234   1.000 47.02778 ? 92  VAL A CG1 1 
ATOM   707  C  CG2 . VAL A 1 92  ? -6.34011  16.07892 -0.39185  1.000 46.84177 ? 92  VAL A CG2 1 
ATOM   708  N  N   . ASN A 1 93  ? -6.17574  15.03014 4.10315   1.000 45.59018 ? 93  ASN A N   1 
ATOM   709  C  CA  . ASN A 1 93  ? -6.62998  15.02930 5.49232   1.000 46.17601 ? 93  ASN A CA  1 
ATOM   710  C  C   . ASN A 1 93  ? -5.64818  15.76746 6.39243   1.000 45.72113 ? 93  ASN A C   1 
ATOM   711  O  O   . ASN A 1 93  ? -6.05743  16.50017 7.30176   1.000 45.26171 ? 93  ASN A O   1 
ATOM   712  C  CB  . ASN A 1 93  ? -6.84077  13.59618 5.98810   1.000 47.35006 ? 93  ASN A CB  1 
ATOM   713  C  CG  . ASN A 1 93  ? -7.94006  12.87465 5.23553   1.000 49.16010 ? 93  ASN A CG  1 
ATOM   714  O  OD1 . ASN A 1 93  ? -8.77685  13.50192 4.58642   1.000 49.03602 ? 93  ASN A OD1 1 
ATOM   715  N  ND2 . ASN A 1 93  ? -7.94580  11.54782 5.32096   1.000 53.46769 ? 93  ASN A ND2 1 
ATOM   716  N  N   . CYS A 1 94  ? -4.34739  15.59153 6.15549   1.000 43.73522 ? 94  CYS A N   1 
ATOM   717  C  CA  . CYS A 1 94  ? -3.36197  16.33380 6.93327   1.000 45.22383 ? 94  CYS A CA  1 
ATOM   718  C  C   . CYS A 1 94  ? -3.41020  17.81958 6.59820   1.000 43.10246 ? 94  CYS A C   1 
ATOM   719  O  O   . CYS A 1 94  ? -3.30573  18.66643 7.49340   1.000 44.89083 ? 94  CYS A O   1 
ATOM   720  C  CB  . CYS A 1 94  ? -1.96187  15.76465 6.69299   1.000 44.42256 ? 94  CYS A CB  1 
ATOM   721  S  SG  . CYS A 1 94  ? -0.66852  16.45202 7.75663   1.000 47.18506 ? 94  CYS A SG  1 
ATOM   722  N  N   . ALA A 1 95  ? -3.57433  18.15323 5.31456   1.000 43.12065 ? 95  ALA A N   1 
ATOM   723  C  CA  . ALA A 1 95  ? -3.71558  19.55008 4.91732   1.000 43.36715 ? 95  ALA A CA  1 
ATOM   724  C  C   . ALA A 1 95  ? -4.91776  20.20577 5.58319   1.000 44.51849 ? 95  ALA A C   1 
ATOM   725  O  O   . ALA A 1 95  ? -4.87683  21.40047 5.90261   1.000 42.98661 ? 95  ALA A O   1 
ATOM   726  C  CB  . ALA A 1 95  ? -3.83784  19.65358 3.39812   1.000 42.42290 ? 95  ALA A CB  1 
ATOM   727  N  N   . LYS A 1 96  ? -5.99537  19.44608 5.79362   1.000 44.64976 ? 96  LYS A N   1 
ATOM   728  C  CA  . LYS A 1 96  ? -7.16520  19.99490 6.47092   1.000 43.86417 ? 96  LYS A CA  1 
ATOM   729  C  C   . LYS A 1 96  ? -6.84381  20.37191 7.90999   1.000 44.01196 ? 96  LYS A C   1 
ATOM   730  O  O   . LYS A 1 96  ? -7.35027  21.37708 8.42038   1.000 45.91747 ? 96  LYS A O   1 
ATOM   731  C  CB  . LYS A 1 96  ? -8.31769  18.99255 6.43342   1.000 45.12920 ? 96  LYS A CB  1 
ATOM   732  C  CG  . LYS A 1 96  ? -8.87915  18.73885 5.05320   1.000 45.06245 ? 96  LYS A CG  1 
ATOM   733  C  CD  . LYS A 1 96  ? -10.04556 17.76791 5.10585   1.000 45.95133 ? 96  LYS A CD  1 
ATOM   734  C  CE  . LYS A 1 96  ? -10.62795 17.56148 3.71758   1.000 47.62020 ? 96  LYS A CE  1 
ATOM   735  N  NZ  . LYS A 1 96  ? -11.71881 16.55092 3.70422   1.000 48.27609 ? 96  LYS A NZ  1 
ATOM   736  N  N   . LYS A 1 97  ? -6.01637  19.57091 8.58592   1.000 43.97584 ? 97  LYS A N   1 
ATOM   737  C  CA  . LYS A 1 97  ? -5.62798  19.90936 9.94932   1.000 44.36016 ? 97  LYS A CA  1 
ATOM   738  C  C   . LYS A 1 97  ? -4.64866  21.07537 9.97128   1.000 45.06668 ? 97  LYS A C   1 
ATOM   739  O  O   . LYS A 1 97  ? -4.69902  21.90793 10.88330  1.000 45.08841 ? 97  LYS A O   1 
ATOM   740  C  CB  . LYS A 1 97  ? -5.02948  18.68561 10.64642  1.000 43.79666 ? 97  LYS A CB  1 
ATOM   741  N  N   . ILE A 1 98  ? -3.76354  21.15844 8.97602   1.000 44.35899 ? 98  ILE A N   1 
ATOM   742  C  CA  . ILE A 1 98  ? -2.82219  22.27111 8.90662   1.000 45.62419 ? 98  ILE A CA  1 
ATOM   743  C  C   . ILE A 1 98  ? -3.56094  23.58244 8.68187   1.000 45.30199 ? 98  ILE A C   1 
ATOM   744  O  O   . ILE A 1 98  ? -3.33330  24.57121 9.38515   1.000 46.42338 ? 98  ILE A O   1 
ATOM   745  C  CB  . ILE A 1 98  ? -1.77914  22.02510 7.80400   1.000 44.28870 ? 98  ILE A CB  1 
ATOM   746  C  CG1 . ILE A 1 98  ? -0.94041  20.78721 8.12537   1.000 44.21301 ? 98  ILE A CG1 1 
ATOM   747  C  CG2 . ILE A 1 98  ? -0.89974  23.25057 7.62628   1.000 43.75358 ? 98  ILE A CG2 1 
ATOM   748  C  CD1 . ILE A 1 98  ? 0.11742   20.49898 7.09269   1.000 44.19677 ? 98  ILE A CD1 1 
ATOM   749  N  N   . VAL A 1 99  ? -4.45471  23.61603 7.69092   1.000 43.58411 ? 99  VAL A N   1 
ATOM   750  C  CA  . VAL A 1 99  ? -5.14867  24.85561 7.36657   1.000 44.77065 ? 99  VAL A CA  1 
ATOM   751  C  C   . VAL A 1 99  ? -6.09471  25.30531 8.47264   1.000 46.43655 ? 99  VAL A C   1 
ATOM   752  O  O   . VAL A 1 99  ? -6.53437  26.46007 8.46510   1.000 45.65651 ? 99  VAL A O   1 
ATOM   753  C  CB  . VAL A 1 99  ? -5.89850  24.70131 6.02564   1.000 44.12077 ? 99  VAL A CB  1 
ATOM   754  C  CG1 . VAL A 1 99  ? -7.23668  23.99485 6.22523   1.000 43.92466 ? 99  VAL A CG1 1 
ATOM   755  C  CG2 . VAL A 1 99  ? -6.07496  26.05214 5.34240   1.000 43.81920 ? 99  VAL A CG2 1 
ATOM   756  N  N   . SER A 1 100 ? -6.40516  24.43313 9.43397   1.000 46.06199 ? 100 SER A N   1 
ATOM   757  C  CA  . SER A 1 100 ? -7.27604  24.76795 10.55389  1.000 46.76353 ? 100 SER A CA  1 
ATOM   758  C  C   . SER A 1 100 ? -6.51671  25.19775 11.80249  1.000 47.96205 ? 100 SER A C   1 
ATOM   759  O  O   . SER A 1 100 ? -7.15001  25.48171 12.82268  1.000 48.59207 ? 100 SER A O   1 
ATOM   760  C  CB  . SER A 1 100 ? -8.17646  23.57699 10.90442  1.000 44.51915 ? 100 SER A CB  1 
ATOM   761  O  OG  . SER A 1 100 ? -8.96431  23.18322 9.79927   1.000 45.69501 ? 100 SER A OG  1 
ATOM   762  N  N   . ASP A 1 101 ? -5.18571  25.25503 11.75622  1.000 49.01286 ? 101 ASP A N   1 
ATOM   763  C  CA  . ASP A 1 101 ? -4.40777  25.54115 12.95602  1.000 49.84600 ? 101 ASP A CA  1 
ATOM   764  C  C   . ASP A 1 101 ? -4.35191  27.02562 13.29531  1.000 51.12990 ? 101 ASP A C   1 
ATOM   765  O  O   . ASP A 1 101 ? -3.64004  27.39777 14.23374  1.000 52.03091 ? 101 ASP A O   1 
ATOM   766  C  CB  . ASP A 1 101 ? -2.98466  24.98677 12.81129  1.000 50.90629 ? 101 ASP A CB  1 
ATOM   767  C  CG  . ASP A 1 101 ? -2.09671  25.85537 11.93210  1.000 54.44865 ? 101 ASP A CG  1 
ATOM   768  O  OD1 . ASP A 1 101 ? -2.62374  26.62195 11.09493  1.000 53.31982 ? 101 ASP A OD1 1 
ATOM   769  O  OD2 . ASP A 1 101 ? -0.85883  25.76124 12.07361  1.000 57.93617 ? 101 ASP A OD2 1 
ATOM   770  N  N   . GLY A 1 102 ? -5.06429  27.87743 12.55389  1.000 50.74264 ? 102 GLY A N   1 
ATOM   771  C  CA  . GLY A 1 102 ? -5.13002  29.30540 12.81680  1.000 50.92263 ? 102 GLY A CA  1 
ATOM   772  C  C   . GLY A 1 102 ? -4.51657  30.16030 11.72404  1.000 50.48187 ? 102 GLY A C   1 
ATOM   773  O  O   . GLY A 1 102 ? -4.98647  31.27657 11.48249  1.000 49.98533 ? 102 GLY A O   1 
ATOM   774  N  N   . ASN A 1 103 ? -3.47512  29.65975 11.06218  1.000 50.63442 ? 103 ASN A N   1 
ATOM   775  C  CA  . ASN A 1 103 ? -2.76249  30.44398 10.06193  1.000 50.16462 ? 103 ASN A CA  1 
ATOM   776  C  C   . ASN A 1 103 ? -3.32890  30.29229 8.65747   1.000 46.82160 ? 103 ASN A C   1 
ATOM   777  O  O   . ASN A 1 103 ? -2.82997  30.94519 7.73581   1.000 46.02859 ? 103 ASN A O   1 
ATOM   778  C  CB  . ASN A 1 103 ? -1.27709  30.07556 10.05877  1.000 51.22481 ? 103 ASN A CB  1 
ATOM   779  C  CG  . ASN A 1 103 ? -0.46110  30.96653 10.96821  1.000 55.48036 ? 103 ASN A CG  1 
ATOM   780  O  OD1 . ASN A 1 103 ? -0.44598  30.78172 12.18476  1.000 60.37877 ? 103 ASN A OD1 1 
ATOM   781  N  ND2 . ASN A 1 103 ? 0.22150   31.94527 10.38254  1.000 57.66442 ? 103 ASN A ND2 1 
ATOM   782  N  N   . GLY A 1 104 ? -4.35715  29.46745 8.47237   1.000 46.08080 ? 104 GLY A N   1 
ATOM   783  C  CA  . GLY A 1 104 ? -4.90995  29.27788 7.14670   1.000 46.09484 ? 104 GLY A CA  1 
ATOM   784  C  C   . GLY A 1 104 ? -3.87822  28.70317 6.19197   1.000 43.72387 ? 104 GLY A C   1 
ATOM   785  O  O   . GLY A 1 104 ? -2.96566  27.97189 6.58320   1.000 44.13465 ? 104 GLY A O   1 
ATOM   786  N  N   . MET A 1 105 ? -4.01641  29.05679 4.91654   1.000 43.88488 ? 105 MET A N   1 
ATOM   787  C  CA  . MET A 1 105 ? -3.09399  28.56380 3.90223   1.000 43.52801 ? 105 MET A CA  1 
ATOM   788  C  C   . MET A 1 105 ? -1.76667  29.30844 3.89031   1.000 43.59304 ? 105 MET A C   1 
ATOM   789  O  O   . MET A 1 105 ? -0.90493  28.98295 3.06667   1.000 41.36941 ? 105 MET A O   1 
ATOM   790  C  CB  . MET A 1 105 ? -3.74353  28.62547 2.51716   1.000 42.67031 ? 105 MET A CB  1 
ATOM   791  C  CG  . MET A 1 105 ? -4.84964  27.59035 2.32539   1.000 41.87356 ? 105 MET A CG  1 
ATOM   792  S  SD  . MET A 1 105 ? -5.29263  27.32796 0.60031   1.000 46.33956 ? 105 MET A SD  1 
ATOM   793  C  CE  . MET A 1 105 ? -3.80242  26.55017 -0.00865  1.000 41.87887 ? 105 MET A CE  1 
ATOM   794  N  N   . ASN A 1 106 ? -1.57339  30.28140 4.78595   1.000 43.34165 ? 106 ASN A N   1 
ATOM   795  C  CA  . ASN A 1 106 ? -0.27208  30.92587 4.92428   1.000 44.74383 ? 106 ASN A CA  1 
ATOM   796  C  C   . ASN A 1 106 ? 0.80624   29.96673 5.41260   1.000 43.35612 ? 106 ASN A C   1 
ATOM   797  O  O   . ASN A 1 106 ? 1.99035   30.30221 5.31982   1.000 43.44776 ? 106 ASN A O   1 
ATOM   798  C  CB  . ASN A 1 106 ? -0.36250  32.12655 5.87415   1.000 45.23143 ? 106 ASN A CB  1 
ATOM   799  C  CG  . ASN A 1 106 ? -1.23961  33.23691 5.32994   1.000 45.06084 ? 106 ASN A CG  1 
ATOM   800  O  OD1 . ASN A 1 106 ? -0.89028  33.89985 4.35225   1.000 45.93830 ? 106 ASN A OD1 1 
ATOM   801  N  ND2 . ASN A 1 106 ? -2.38578  33.44724 5.96424   1.000 44.80522 ? 106 ASN A ND2 1 
ATOM   802  N  N   . ALA A 1 107 ? 0.42815   28.78851 5.91889   1.000 42.76450 ? 107 ALA A N   1 
ATOM   803  C  CA  . ALA A 1 107 ? 1.41716   27.77451 6.26655   1.000 41.79368 ? 107 ALA A CA  1 
ATOM   804  C  C   . ALA A 1 107 ? 2.25834   27.37736 5.06118   1.000 43.22857 ? 107 ALA A C   1 
ATOM   805  O  O   . ALA A 1 107 ? 3.43838   27.03979 5.21102   1.000 43.99948 ? 107 ALA A O   1 
ATOM   806  C  CB  . ALA A 1 107 ? 0.72420   26.54703 6.85550   1.000 42.21470 ? 107 ALA A CB  1 
ATOM   807  N  N   . TRP A 1 108 ? 1.67315   27.40857 3.86621   1.000 42.60545 ? 108 TRP A N   1 
ATOM   808  C  CA  . TRP A 1 108 ? 2.38741   27.10565 2.63220   1.000 42.88821 ? 108 TRP A CA  1 
ATOM   809  C  C   . TRP A 1 108 ? 2.99914   28.39525 2.10062   1.000 44.92064 ? 108 TRP A C   1 
ATOM   810  O  O   . TRP A 1 108 ? 2.28423   29.27496 1.60545   1.000 44.77355 ? 108 TRP A O   1 
ATOM   811  C  CB  . TRP A 1 108 ? 1.45015   26.47284 1.60882   1.000 42.96242 ? 108 TRP A CB  1 
ATOM   812  C  CG  . TRP A 1 108 ? 1.00599   25.09079 1.97772   1.000 42.60869 ? 108 TRP A CG  1 
ATOM   813  C  CD1 . TRP A 1 108 ? 1.64309   23.92259 1.68369   1.000 42.21881 ? 108 TRP A CD1 1 
ATOM   814  C  CD2 . TRP A 1 108 ? -0.17603  24.73156 2.70395   1.000 41.67212 ? 108 TRP A CD2 1 
ATOM   815  N  NE1 . TRP A 1 108 ? 0.93380   22.85718 2.18077   1.000 42.30695 ? 108 TRP A NE1 1 
ATOM   816  C  CE2 . TRP A 1 108 ? -0.18710  23.32633 2.81168   1.000 42.40556 ? 108 TRP A CE2 1 
ATOM   817  C  CE3 . TRP A 1 108 ? -1.22421  25.46031 3.27258   1.000 41.23534 ? 108 TRP A CE3 1 
ATOM   818  C  CZ2 . TRP A 1 108 ? -1.20568  22.63628 3.46371   1.000 41.65071 ? 108 TRP A CZ2 1 
ATOM   819  C  CZ3 . TRP A 1 108 ? -2.23464  24.77188 3.92101   1.000 43.14624 ? 108 TRP A CZ3 1 
ATOM   820  C  CH2 . TRP A 1 108 ? -2.21821  23.37446 4.01005   1.000 41.31099 ? 108 TRP A CH2 1 
ATOM   821  N  N   . VAL A 1 109 ? 4.32627   28.50067 2.19833   1.000 45.32203 ? 109 VAL A N   1 
ATOM   822  C  CA  . VAL A 1 109 ? 5.01243   29.72475 1.80151   1.000 46.23995 ? 109 VAL A CA  1 
ATOM   823  C  C   . VAL A 1 109 ? 4.79787   30.00966 0.32048   1.000 46.37248 ? 109 VAL A C   1 
ATOM   824  O  O   . VAL A 1 109 ? 4.68847   31.17425 -0.08579  1.000 45.43450 ? 109 VAL A O   1 
ATOM   825  C  CB  . VAL A 1 109 ? 6.51019   29.62763 2.16545   1.000 48.19025 ? 109 VAL A CB  1 
ATOM   826  C  CG1 . VAL A 1 109 ? 7.16438   28.44209 1.46398   1.000 50.54543 ? 109 VAL A CG1 1 
ATOM   827  C  CG2 . VAL A 1 109 ? 7.23149   30.92935 1.83655   1.000 51.55164 ? 109 VAL A CG2 1 
ATOM   828  N  N   . ALA A 1 110 ? 4.70652   28.96082 -0.50485  1.000 45.29505 ? 110 ALA A N   1 
ATOM   829  C  CA  . ALA A 1 110 ? 4.49048   29.16054 -1.93546  1.000 44.81877 ? 110 ALA A CA  1 
ATOM   830  C  C   . ALA A 1 110 ? 3.10502   29.72478 -2.22419  1.000 44.66646 ? 110 ALA A C   1 
ATOM   831  O  O   . ALA A 1 110 ? 2.94711   30.51473 -3.16173  1.000 46.38121 ? 110 ALA A O   1 
ATOM   832  C  CB  . ALA A 1 110 ? 4.69976   27.84930 -2.69581  1.000 43.61521 ? 110 ALA A CB  1 
ATOM   833  N  N   . TRP A 1 111 ? 2.09504   29.34221 -1.43526  1.000 44.54266 ? 111 TRP A N   1 
ATOM   834  C  CA  . TRP A 1 111 ? 0.75634   29.89120 -1.63476  1.000 42.92312 ? 111 TRP A CA  1 
ATOM   835  C  C   . TRP A 1 111 ? 0.71156   31.37148 -1.29290  1.000 45.32040 ? 111 TRP A C   1 
ATOM   836  O  O   . TRP A 1 111 ? 0.13251   32.17241 -2.03872  1.000 44.35350 ? 111 TRP A O   1 
ATOM   837  C  CB  . TRP A 1 111 ? -0.27223  29.13561 -0.79009  1.000 43.83156 ? 111 TRP A CB  1 
ATOM   838  C  CG  . TRP A 1 111 ? -1.65979  29.71956 -0.90387  1.000 43.25038 ? 111 TRP A CG  1 
ATOM   839  C  CD1 . TRP A 1 111 ? -2.58867  29.43444 -1.85993  1.000 43.49102 ? 111 TRP A CD1 1 
ATOM   840  C  CD2 . TRP A 1 111 ? -2.26444  30.69164 -0.03712  1.000 43.18743 ? 111 TRP A CD2 1 
ATOM   841  N  NE1 . TRP A 1 111 ? -3.73153  30.16685 -1.64741  1.000 43.01465 ? 111 TRP A NE1 1 
ATOM   842  C  CE2 . TRP A 1 111 ? -3.55934  30.94627 -0.53213  1.000 43.50260 ? 111 TRP A CE2 1 
ATOM   843  C  CE3 . TRP A 1 111 ? -1.83733  31.36973 1.11098   1.000 43.60499 ? 111 TRP A CE3 1 
ATOM   844  C  CZ2 . TRP A 1 111 ? -4.43239  31.85032 0.07915   1.000 43.81724 ? 111 TRP A CZ2 1 
ATOM   845  C  CZ3 . TRP A 1 111 ? -2.70559  32.26719 1.71811   1.000 43.26030 ? 111 TRP A CZ3 1 
ATOM   846  C  CH2 . TRP A 1 111 ? -3.98652  32.49913 1.20153   1.000 43.49535 ? 111 TRP A CH2 1 
ATOM   847  N  N   . ARG A 1 112 ? 1.29519   31.74897 -0.15521  1.000 43.78102 ? 112 ARG A N   1 
ATOM   848  C  CA  . ARG A 1 112 ? 1.27786   33.14733 0.24745   1.000 46.67479 ? 112 ARG A CA  1 
ATOM   849  C  C   . ARG A 1 112 ? 2.01029   34.02347 -0.75589  1.000 45.24118 ? 112 ARG A C   1 
ATOM   850  O  O   . ARG A 1 112 ? 1.55787   35.13430 -1.05110  1.000 45.28331 ? 112 ARG A O   1 
ATOM   851  C  CB  . ARG A 1 112 ? 1.88920   33.29430 1.64004   1.000 47.45434 ? 112 ARG A CB  1 
ATOM   852  C  CG  . ARG A 1 112 ? 2.72964   34.54301 1.83151   1.000 49.23791 ? 112 ARG A CG  1 
ATOM   853  C  CD  . ARG A 1 112 ? 2.84483   34.88263 3.30398   1.000 56.30116 ? 112 ARG A CD  1 
ATOM   854  N  NE  . ARG A 1 112 ? 2.90854   33.68423 4.13408   1.000 53.75032 ? 112 ARG A NE  1 
ATOM   855  C  CZ  . ARG A 1 112 ? 4.02818   33.04620 4.44758   1.000 58.22155 ? 112 ARG A CZ  1 
ATOM   856  N  NH1 . ARG A 1 112 ? 5.20513   33.45306 3.99652   1.000 53.62309 ? 112 ARG A NH1 1 
ATOM   857  N  NH2 . ARG A 1 112 ? 3.96515   31.97081 5.22989   1.000 51.12035 ? 112 ARG A NH2 1 
ATOM   858  N  N   . ASN A 1 113 ? 3.10959   33.52587 -1.32093  1.000 45.14397 ? 113 ASN A N   1 
ATOM   859  C  CA  . ASN A 1 113 ? 3.94747   34.31945 -2.20729  1.000 45.96778 ? 113 ASN A CA  1 
ATOM   860  C  C   . ASN A 1 113 ? 3.51894   34.27051 -3.66841  1.000 45.26370 ? 113 ASN A C   1 
ATOM   861  O  O   . ASN A 1 113 ? 3.82765   35.20671 -4.41329  1.000 46.18202 ? 113 ASN A O   1 
ATOM   862  C  CB  . ASN A 1 113 ? 5.40465   33.86100 -2.10109  1.000 45.39703 ? 113 ASN A CB  1 
ATOM   863  C  CG  . ASN A 1 113 ? 6.03556   34.23054 -0.77771  1.000 45.57358 ? 113 ASN A CG  1 
ATOM   864  O  OD1 . ASN A 1 113 ? 5.63997   35.20188 -0.13929  1.000 47.68113 ? 113 ASN A OD1 1 
ATOM   865  N  ND2 . ASN A 1 113 ? 7.03125   33.45886 -0.36238  1.000 46.16738 ? 113 ASN A ND2 1 
ATOM   866  N  N   . ARG A 1 114 ? 2.82193   33.21801 -4.10312  1.000 45.12735 ? 114 ARG A N   1 
ATOM   867  C  CA  . ARG A 1 114 ? 2.52287   33.03994 -5.52130  1.000 45.18338 ? 114 ARG A CA  1 
ATOM   868  C  C   . ARG A 1 114 ? 1.04853   32.82336 -5.84041  1.000 45.43530 ? 114 ARG A C   1 
ATOM   869  O  O   . ARG A 1 114 ? 0.66925   32.96618 -7.00975  1.000 44.95966 ? 114 ARG A O   1 
ATOM   870  C  CB  . ARG A 1 114 ? 3.33696   31.86563 -6.08722  1.000 44.94803 ? 114 ARG A CB  1 
ATOM   871  C  CG  . ARG A 1 114 ? 4.82084   31.94693 -5.73471  1.000 44.52057 ? 114 ARG A CG  1 
ATOM   872  C  CD  . ARG A 1 114 ? 5.63721   30.85127 -6.38461  1.000 44.77325 ? 114 ARG A CD  1 
ATOM   873  N  NE  . ARG A 1 114 ? 5.73478   31.01023 -7.83063  1.000 45.30005 ? 114 ARG A NE  1 
ATOM   874  C  CZ  . ARG A 1 114 ? 6.48588   30.24500 -8.61003  1.000 44.30541 ? 114 ARG A CZ  1 
ATOM   875  N  NH1 . ARG A 1 114 ? 7.23181   29.27293 -8.10994  1.000 45.20315 ? 114 ARG A NH1 1 
ATOM   876  N  NH2 . ARG A 1 114 ? 6.48610   30.45743 -9.92229  1.000 44.72345 ? 114 ARG A NH2 1 
ATOM   877  N  N   . CYS A 1 115 ? 0.20958   32.48789 -4.86218  1.000 45.22384 ? 115 CYS A N   1 
ATOM   878  C  CA  . CYS A 1 115 ? -1.21850  32.31722 -5.08835  1.000 44.68020 ? 115 CYS A CA  1 
ATOM   879  C  C   . CYS A 1 115 ? -2.07271  33.37120 -4.41224  1.000 45.32584 ? 115 CYS A C   1 
ATOM   880  O  O   . CYS A 1 115 ? -3.07231  33.79625 -4.99465  1.000 45.59662 ? 115 CYS A O   1 
ATOM   881  C  CB  . CYS A 1 115 ? -1.68319  30.93943 -4.59792  1.000 44.21242 ? 115 CYS A CB  1 
ATOM   882  S  SG  . CYS A 1 115 ? -0.76533  29.56861 -5.29116  1.000 41.09976 ? 115 CYS A SG  1 
ATOM   883  N  N   . LYS A 1 116 ? -1.70967  33.79403 -3.20402  1.000 45.62618 ? 116 LYS A N   1 
ATOM   884  C  CA  . LYS A 1 116 ? -2.52610  34.72680 -2.43979  1.000 45.49102 ? 116 LYS A CA  1 
ATOM   885  C  C   . LYS A 1 116 ? -2.68808  36.04143 -3.19315  1.000 45.66413 ? 116 LYS A C   1 
ATOM   886  O  O   . LYS A 1 116 ? -1.71233  36.61175 -3.68988  1.000 44.22002 ? 116 LYS A O   1 
ATOM   887  C  CB  . LYS A 1 116 ? -1.89053  34.96746 -1.07073  1.000 45.43014 ? 116 LYS A CB  1 
ATOM   888  C  CG  . LYS A 1 116 ? -2.68258  35.87098 -0.14219  1.000 45.21067 ? 116 LYS A CG  1 
ATOM   889  C  CD  . LYS A 1 116 ? -2.03109  35.85612 1.22609   1.000 45.67051 ? 116 LYS A CD  1 
ATOM   890  C  CE  . LYS A 1 116 ? -2.78917  36.68272 2.24329   1.000 47.19774 ? 116 LYS A CE  1 
ATOM   891  N  NZ  . LYS A 1 116 ? -2.14189  36.57149 3.58405   1.000 45.48115 ? 116 LYS A NZ  1 
ATOM   892  N  N   . GLY A 1 117 ? -3.92747  36.51777 -3.28200  1.000 46.75640 ? 117 GLY A N   1 
ATOM   893  C  CA  . GLY A 1 117 ? -4.20706  37.76786 -3.95573  1.000 47.55425 ? 117 GLY A CA  1 
ATOM   894  C  C   . GLY A 1 117 ? -4.19896  37.70463 -5.46531  1.000 48.74587 ? 117 GLY A C   1 
ATOM   895  O  O   . GLY A 1 117 ? -4.25722  38.75560 -6.11370  1.000 51.53022 ? 117 GLY A O   1 
ATOM   896  N  N   . THR A 1 118 ? -4.11997  36.51479 -6.04696  1.000 48.56574 ? 118 THR A N   1 
ATOM   897  C  CA  . THR A 1 118 ? -4.18396  36.33356 -7.48796  1.000 49.10873 ? 118 THR A CA  1 
ATOM   898  C  C   . THR A 1 118 ? -5.48850  35.64320 -7.86078  1.000 49.84413 ? 118 THR A C   1 
ATOM   899  O  O   . THR A 1 118 ? -6.19928  35.09662 -7.01226  1.000 50.01153 ? 118 THR A O   1 
ATOM   900  C  CB  . THR A 1 118 ? -2.98744  35.51678 -7.99709  1.000 48.83089 ? 118 THR A CB  1 
ATOM   901  O  OG1 . THR A 1 118 ? -3.05347  34.18193 -7.47731  1.000 47.27642 ? 118 THR A OG1 1 
ATOM   902  C  CG2 . THR A 1 118 ? -1.67756  36.15684 -7.56721  1.000 47.85466 ? 118 THR A CG2 1 
ATOM   903  N  N   . ASP A 1 119 ? -5.79898  35.67307 -9.15475  1.000 52.08239 ? 119 ASP A N   1 
ATOM   904  C  CA  . ASP A 1 119 ? -6.98253  34.98287 -9.65007  1.000 53.23420 ? 119 ASP A CA  1 
ATOM   905  C  C   . ASP A 1 119 ? -6.76740  33.47475 -9.61339  1.000 51.93346 ? 119 ASP A C   1 
ATOM   906  O  O   . ASP A 1 119 ? -6.34366  32.87052 -10.60460 1.000 52.14899 ? 119 ASP A O   1 
ATOM   907  C  CB  . ASP A 1 119 ? -7.33277  35.45126 -11.06400 1.000 55.45696 ? 119 ASP A CB  1 
ATOM   908  C  CG  . ASP A 1 119 ? -8.51828  34.70612 -11.64565 1.000 57.04431 ? 119 ASP A CG  1 
ATOM   909  O  OD1 . ASP A 1 119 ? -8.45436  34.30837 -12.82813 1.000 60.38151 ? 119 ASP A OD1 1 
ATOM   910  O  OD2 . ASP A 1 119 ? -9.50790  34.50190 -10.91267 1.000 63.89664 ? 119 ASP A OD2 1 
ATOM   911  N  N   . VAL A 1 120 ? -7.05242  32.85978 -8.46311  1.000 51.40740 ? 120 VAL A N   1 
ATOM   912  C  CA  . VAL A 1 120 ? -6.85532  31.42400 -8.32079  1.000 50.36463 ? 120 VAL A CA  1 
ATOM   913  C  C   . VAL A 1 120 ? -7.89389  30.62728 -9.09787  1.000 50.39559 ? 120 VAL A C   1 
ATOM   914  O  O   . VAL A 1 120 ? -7.66875  29.44670 -9.38665  1.000 50.50393 ? 120 VAL A O   1 
ATOM   915  C  CB  . VAL A 1 120 ? -6.87015  31.02448 -6.83399  1.000 48.14904 ? 120 VAL A CB  1 
ATOM   916  C  CG1 . VAL A 1 120 ? -5.65489  31.59054 -6.12313  1.000 47.04489 ? 120 VAL A CG1 1 
ATOM   917  C  CG2 . VAL A 1 120 ? -8.15073  31.50517 -6.17259  1.000 47.43889 ? 120 VAL A CG2 1 
ATOM   918  N  N   . GLN A 1 121 ? -9.02995  31.23754 -9.44761  1.000 51.65384 ? 121 GLN A N   1 
ATOM   919  C  CA  . GLN A 1 121 ? -10.04777 30.52136 -10.20831 1.000 52.50957 ? 121 GLN A CA  1 
ATOM   920  C  C   . GLN A 1 121 ? -9.54237  30.08655 -11.57719 1.000 52.79771 ? 121 GLN A C   1 
ATOM   921  O  O   . GLN A 1 121 ? -10.08589 29.13589 -12.14777 1.000 52.05519 ? 121 GLN A O   1 
ATOM   922  C  CB  . GLN A 1 121 ? -11.30291 31.38439 -10.36387 1.000 51.89281 ? 121 GLN A CB  1 
ATOM   923  N  N   . ALA A 1 122 ? -8.51184  30.75129 -12.10984 1.000 52.19255 ? 122 ALA A N   1 
ATOM   924  C  CA  . ALA A 1 122 ? -7.95332  30.36251 -13.39954 1.000 52.35160 ? 122 ALA A CA  1 
ATOM   925  C  C   . ALA A 1 122 ? -7.33260  28.97263 -13.36715 1.000 51.53817 ? 122 ALA A C   1 
ATOM   926  O  O   . ALA A 1 122 ? -7.18281  28.35041 -14.42411 1.000 51.33086 ? 122 ALA A O   1 
ATOM   927  C  CB  . ALA A 1 122 ? -6.91205  31.38758 -13.85278 1.000 52.53923 ? 122 ALA A CB  1 
ATOM   928  N  N   . TRP A 1 123 ? -6.97877  28.47092 -12.18137 1.000 50.43645 ? 123 TRP A N   1 
ATOM   929  C  CA  . TRP A 1 123 ? -6.36116  27.15658 -12.06221 1.000 50.28788 ? 123 TRP A CA  1 
ATOM   930  C  C   . TRP A 1 123 ? -7.34892  26.01606 -12.25189 1.000 50.81123 ? 123 TRP A C   1 
ATOM   931  O  O   . TRP A 1 123 ? -6.92431  24.88448 -12.50438 1.000 50.40804 ? 123 TRP A O   1 
ATOM   932  C  CB  . TRP A 1 123 ? -5.67811  27.01865 -10.70180 1.000 48.13010 ? 123 TRP A CB  1 
ATOM   933  C  CG  . TRP A 1 123 ? -4.45074  27.84803 -10.58508 1.000 47.08860 ? 123 TRP A CG  1 
ATOM   934  C  CD1 . TRP A 1 123 ? -4.33982  29.06968 -9.99348  1.000 47.45309 ? 123 TRP A CD1 1 
ATOM   935  C  CD2 . TRP A 1 123 ? -3.15131  27.52235 -11.08725 1.000 46.48404 ? 123 TRP A CD2 1 
ATOM   936  N  NE1 . TRP A 1 123 ? -3.04486  29.52529 -10.08886 1.000 46.49043 ? 123 TRP A NE1 1 
ATOM   937  C  CE2 . TRP A 1 123 ? -2.29674  28.59252 -10.75724 1.000 46.21175 ? 123 TRP A CE2 1 
ATOM   938  C  CE3 . TRP A 1 123 ? -2.62636  26.42604 -11.78024 1.000 47.13465 ? 123 TRP A CE3 1 
ATOM   939  C  CZ2 . TRP A 1 123 ? -0.94755  28.59928 -11.09617 1.000 46.07858 ? 123 TRP A CZ2 1 
ATOM   940  C  CZ3 . TRP A 1 123 ? -1.28546  26.43479 -12.11718 1.000 46.87996 ? 123 TRP A CZ3 1 
ATOM   941  C  CH2 . TRP A 1 123 ? -0.46201  27.51478 -11.77551 1.000 46.53427 ? 123 TRP A CH2 1 
ATOM   942  N  N   . ILE A 1 124 ? -8.64852  26.27809 -12.13484 1.000 51.93211 ? 124 ILE A N   1 
ATOM   943  C  CA  . ILE A 1 124 ? -9.66532  25.26091 -12.37225 1.000 52.68831 ? 124 ILE A CA  1 
ATOM   944  C  C   . ILE A 1 124 ? -10.47327 25.53205 -13.62654 1.000 52.48629 ? 124 ILE A C   1 
ATOM   945  O  O   . ILE A 1 124 ? -11.40420 24.76762 -13.92674 1.000 53.19186 ? 124 ILE A O   1 
ATOM   946  C  CB  . ILE A 1 124 ? -10.60278 25.10363 -11.15982 1.000 52.51761 ? 124 ILE A CB  1 
ATOM   947  C  CG1 . ILE A 1 124 ? -11.41072 26.38322 -10.93574 1.000 53.49059 ? 124 ILE A CG1 1 
ATOM   948  C  CG2 . ILE A 1 124 ? -9.80618  24.73362 -9.91559  1.000 51.01549 ? 124 ILE A CG2 1 
ATOM   949  C  CD1 . ILE A 1 124 ? -12.42493 26.27080 -9.81522  1.000 54.95533 ? 124 ILE A CD1 1 
ATOM   950  N  N   . ARG A 1 125 ? -10.15695 26.59105 -14.36832 1.000 52.34473 ? 125 ARG A N   1 
ATOM   951  C  CA  . ARG A 1 125 ? -10.90354 26.90077 -15.57897 1.000 52.73992 ? 125 ARG A CA  1 
ATOM   952  C  C   . ARG A 1 125 ? -10.73195 25.78705 -16.60303 1.000 52.81025 ? 125 ARG A C   1 
ATOM   953  O  O   . ARG A 1 125 ? -9.64818  25.21573 -16.74790 1.000 52.98256 ? 125 ARG A O   1 
ATOM   954  C  CB  . ARG A 1 125 ? -10.44416 28.23605 -16.16525 1.000 52.48786 ? 125 ARG A CB  1 
ATOM   955  N  N   . GLY A 1 126 ? -11.81900 25.46686 -17.30185 1.000 53.50056 ? 126 GLY A N   1 
ATOM   956  C  CA  . GLY A 1 126 ? -11.80907 24.41679 -18.29619 1.000 53.62894 ? 126 GLY A CA  1 
ATOM   957  C  C   . GLY A 1 126 ? -11.88839 23.00607 -17.75512 1.000 53.57137 ? 126 GLY A C   1 
ATOM   958  O  O   . GLY A 1 126 ? -11.93161 22.06166 -18.55211 1.000 53.92019 ? 126 GLY A O   1 
ATOM   959  N  N   . CYS A 1 127 ? -11.91058 22.82566 -16.43556 1.000 53.73178 ? 127 CYS A N   1 
ATOM   960  C  CA  . CYS A 1 127 ? -11.95736 21.49804 -15.83806 1.000 53.95930 ? 127 CYS A CA  1 
ATOM   961  C  C   . CYS A 1 127 ? -13.39808 21.04596 -15.64392 1.000 54.62220 ? 127 CYS A C   1 
ATOM   962  O  O   . CYS A 1 127 ? -14.27357 21.84669 -15.30524 1.000 54.46333 ? 127 CYS A O   1 
ATOM   963  C  CB  . CYS A 1 127 ? -11.23196 21.47842 -14.49078 1.000 53.41328 ? 127 CYS A CB  1 
ATOM   964  S  SG  . CYS A 1 127 ? -9.49173  21.93972 -14.55076 1.000 52.59899 ? 127 CYS A SG  1 
ATOM   965  N  N   . ARG A 1 128 ? -13.63455 19.75240 -15.84905 1.000 54.76269 ? 128 ARG A N   1 
ATOM   966  C  CA  . ARG A 1 128 ? -14.94200 19.15146 -15.60914 1.000 55.23421 ? 128 ARG A CA  1 
ATOM   967  C  C   . ARG A 1 128 ? -15.00409 18.70637 -14.15252 1.000 56.19930 ? 128 ARG A C   1 
ATOM   968  O  O   . ARG A 1 128 ? -14.37388 17.71447 -13.77081 1.000 55.58951 ? 128 ARG A O   1 
ATOM   969  C  CB  . ARG A 1 128 ? -15.18592 17.98042 -16.55846 1.000 54.98594 ? 128 ARG A CB  1 
ATOM   970  N  N   . LEU A 1 129 ? -15.75849 19.44100 -13.34141 1.000 56.55225 ? 129 LEU A N   1 
ATOM   971  C  CA  . LEU A 1 129 ? -15.88678 19.13614 -11.92031 1.000 56.98746 ? 129 LEU A CA  1 
ATOM   972  C  C   . LEU A 1 129 ? -17.32021 18.75265 -11.56485 1.000 58.76623 ? 129 LEU A C   1 
ATOM   973  O  O   . LEU A 1 129 ? -17.86455 19.21185 -10.55915 1.000 59.22753 ? 129 LEU A O   1 
ATOM   974  C  CB  . LEU A 1 129 ? -15.44123 20.33102 -11.07575 1.000 56.88860 ? 129 LEU A CB  1 
ATOM   975  C  CG  . LEU A 1 129 ? -14.05936 20.90174 -11.39517 1.000 56.18152 ? 129 LEU A CG  1 
ATOM   976  C  CD1 . LEU A 1 129 ? -13.80658 22.17368 -10.60030 1.000 56.05108 ? 129 LEU A CD1 1 
ATOM   977  C  CD2 . LEU A 1 129 ? -12.98059 19.86797 -11.12062 1.000 53.86455 ? 129 LEU A CD2 1 
HETATM 978  NA NA  . NA  B 2 .   ? 7.74426   14.77918 12.69375  1.000 49.85050 ? 201 NA  A NA  1 
HETATM 979  CL CL  . CL  C 3 .   ? -8.17468  31.60503 6.96210   1.000 46.79520 ? 202 CL  A CL  1 
HETATM 980  CL CL  . CL  D 3 .   ? -11.28502 28.41309 -7.42450  1.000 61.25297 ? 203 CL  A CL  1 
HETATM 981  CL CL  . CL  E 3 .   ? 11.55151  11.93730 13.94637  1.000 54.56155 ? 204 CL  A CL  1 
HETATM 982  CL CL  . CL  F 3 .   ? -6.37126  10.10373 -5.39678  1.000 65.87775 ? 205 CL  A CL  1 
HETATM 983  O  O   . HOH G 4 .   ? -2.18366  27.08620 8.85481   1.000 47.84706 ? 301 HOH A O   1 
HETATM 984  O  O   . HOH G 4 .   ? 18.13373  16.31642 7.87765   1.000 59.96200 ? 302 HOH A O   1 
HETATM 985  O  O   . HOH G 4 .   ? 1.63667   13.42999 -2.41481  1.000 46.60501 ? 303 HOH A O   1 
HETATM 986  O  O   . HOH G 4 .   ? 19.506    9.948    6.471     1.000 49.32710 ? 304 HOH A O   1 
HETATM 987  O  O   . HOH G 4 .   ? 11.413    13.220   -4.155    1.000 47.11586 ? 305 HOH A O   1 
HETATM 988  O  O   . HOH G 4 .   ? -0.07832  11.90784 -2.30265  1.000 48.34432 ? 306 HOH A O   1 
HETATM 989  O  O   . HOH G 4 .   ? -6.31225  9.93434  6.12824   1.000 50.79624 ? 307 HOH A O   1 
HETATM 990  O  O   . HOH G 4 .   ? 3.67010   7.47439  -8.47142  1.000 51.61196 ? 308 HOH A O   1 
HETATM 991  O  O   . HOH G 4 .   ? 13.67867  15.04437 7.55123   1.000 49.28591 ? 309 HOH A O   1 
HETATM 992  O  O   . HOH G 4 .   ? -2.64379  31.96182 -9.52915  1.000 47.29356 ? 310 HOH A O   1 
HETATM 993  O  O   . HOH G 4 .   ? -2.97735  8.50735  0.67034   1.000 49.17043 ? 311 HOH A O   1 
HETATM 994  O  O   . HOH G 4 .   ? 1.17359   17.88660 -14.63816 1.000 52.17538 ? 312 HOH A O   1 
HETATM 995  O  O   . HOH G 4 .   ? 0.77613   36.20882 -4.28078  1.000 45.49673 ? 313 HOH A O   1 
HETATM 996  O  O   . HOH G 4 .   ? -11.74834 18.38591 -17.03519 1.000 54.35670 ? 314 HOH A O   1 
HETATM 997  O  O   . HOH G 4 .   ? 5.58114   26.60190 3.68283   1.000 47.63871 ? 315 HOH A O   1 
HETATM 998  O  O   . HOH G 4 .   ? 12.50796  25.10708 12.63542  1.000 52.90196 ? 316 HOH A O   1 
HETATM 999  O  O   . HOH G 4 .   ? 16.17068  18.86613 -0.78979  1.000 50.00903 ? 317 HOH A O   1 
HETATM 1000 O  O   . HOH G 4 .   ? 5.73868   10.82420 -9.53720  1.000 47.86701 ? 318 HOH A O   1 
HETATM 1001 O  O   . HOH G 4 .   ? 1.45553   33.68743 -9.48563  1.000 48.68158 ? 319 HOH A O   1 
HETATM 1002 O  O   . HOH G 4 .   ? 9.73828   13.25393 11.97240  1.000 49.16643 ? 320 HOH A O   1 
HETATM 1003 O  O   . HOH G 4 .   ? -7.13748  28.71803 10.07126  1.000 47.89570 ? 321 HOH A O   1 
HETATM 1004 O  O   . HOH G 4 .   ? 2.67378   10.06277 -13.07792 1.000 50.09168 ? 322 HOH A O   1 
HETATM 1005 O  O   . HOH G 4 .   ? -0.95667  11.45450 0.01690   1.000 47.00858 ? 323 HOH A O   1 
HETATM 1006 O  O   . HOH G 4 .   ? 7.666     28.138   -11.203   1.000 44.49732 ? 324 HOH A O   1 
HETATM 1007 O  O   . HOH G 4 .   ? -10.65759 31.69381 4.37593   1.000 45.56222 ? 325 HOH A O   1 
HETATM 1008 O  O   . HOH G 4 .   ? 1.65771   16.48141 0.70839   1.000 43.85555 ? 326 HOH A O   1 
HETATM 1009 O  O   . HOH G 4 .   ? 8.56369   17.85566 -8.18630  1.000 47.80258 ? 327 HOH A O   1 
HETATM 1010 O  O   . HOH G 4 .   ? 12.90054  12.90046 18.93082  0.5   53.68847 ? 328 HOH A O   1 
HETATM 1011 O  O   . HOH G 4 .   ? 7.79730   12.55731 14.28898  1.000 50.30011 ? 329 HOH A O   1 
HETATM 1012 O  O   . HOH G 4 .   ? 10.39891  6.20528  12.38309  1.000 48.25489 ? 330 HOH A O   1 
HETATM 1013 O  O   . HOH G 4 .   ? 3.81596   22.21818 5.99858   1.000 43.65447 ? 331 HOH A O   1 
HETATM 1014 O  O   . HOH G 4 .   ? -5.92316  17.24356 -16.20695 1.000 46.08515 ? 332 HOH A O   1 
HETATM 1015 O  O   . HOH G 4 .   ? -10.58358 19.17675 -18.87842 1.000 54.53112 ? 333 HOH A O   1 
HETATM 1016 O  O   . HOH G 4 .   ? 4.31460   32.95551 -10.02287 1.000 45.81726 ? 334 HOH A O   1 
HETATM 1017 O  O   . HOH G 4 .   ? -2.90384  29.15800 -15.27092 1.000 50.77037 ? 335 HOH A O   1 
HETATM 1018 O  O   . HOH G 4 .   ? -17.72587 20.19628 -2.75640  1.000 44.34379 ? 336 HOH A O   1 
# 
