data_9ORX
# 
_entry.id   9ORX 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.404 
_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   9ORX         pdb_00009orx 10.2210/pdb9orx/pdb 
WWPDB D_1000296209 ?            ?                   
# 
_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       2025-06-18 
_pdbx_audit_revision_history.part_number         ? 
# 
_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                        9ORX 
_pdbx_database_status.recvd_initial_deposition_date   2025-05-23 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB 'XRD structure of same protein in apo-form'                             9ORW unspecified 
PDB 
;XRD of same protein co-crystallized with N,N',N"-triacetylchitotriose
;
9ORV unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              jrodriguez@mbi.ucla.edu 
_pdbx_contact_author.name_first         Jose 
_pdbx_contact_author.name_last          Rodriguez 
_pdbx_contact_author.name_mi            A 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-0248-4964 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Flowers, C.W.'   1 ? 
'Vlahakis, N.W.'  2 ? 
'Rodriguez, J.A.' 3 ? 
# 
_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                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
'Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Vlahakis, N.W.'  1  ? 
primary 'Flowers, C.W.'   2  ? 
primary 'Liu, M.'         3  ? 
primary 'Agdanowski, M.'  4  ? 
primary 'Johnson, S.'     5  ? 
primary 'Summers, J.A.'   6  ? 
primary 'Jacobs, L.M.C.'  7  ? 
primary 'Keyser, C.'      8  ? 
primary 'Russell, P.'     9  ? 
primary 'Rose, S.'        10 ? 
primary 'Orlans, J.'      11 ? 
primary 'Adhami, N.'      12 ? 
primary 'Chen, Y.'        13 ? 
primary 'Sawaya, M.R.'    14 ? 
primary 'Basu, S.'        15 ? 
primary 'De Sanctis, D.'  16 ? 
primary 'Chen, Y.'        17 ? 
primary 'Wakatsuki, S.'   18 ? 
primary 'Nelson, H.M.'    19 ? 
primary 'Loo, J.A.'       20 ? 
primary 'Tang, Y.'        21 ? 
primary 'Rodriguez, J.A.' 22 ? 
# 
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 ? lyzozyme ? 
2 branched    syn 
;2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
;
627.594   1  ?        ? ?        ? 
3 non-polymer syn 'CHLORIDE ION' 35.453    1  ?        ? ?        ? 
4 water       nat water 18.015    70 ?        ? ?        ? 
# 
_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 
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                    ? 
# 
_pdbx_entity_branch.entity_id   2 
_pdbx_entity_branch.type        oligosaccharide 
# 
loop_
_pdbx_entity_branch_descriptor.ordinal 
_pdbx_entity_branch_descriptor.entity_id 
_pdbx_entity_branch_descriptor.descriptor 
_pdbx_entity_branch_descriptor.type 
_pdbx_entity_branch_descriptor.program 
_pdbx_entity_branch_descriptor.program_version 
1 2 DGlcpNAcb1-4DGlcpNAcb1-4DGlcpNAcb1-ROH                          'Glycam Condensed Sequence' GMML       1.0   
2 2 'WURCS=2.0/1,3,2/[a2122h-1b_1-5_2*NCC/3=O]/1-1-1/a4-b1_b4-c1'   WURCS                       PDB2Glycan 1.1.0 
3 2 '[][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}' LINUCS                      PDB-CARE   ?     
# 
loop_
_pdbx_entity_branch_link.link_id 
_pdbx_entity_branch_link.entity_id 
_pdbx_entity_branch_link.entity_branch_list_num_1 
_pdbx_entity_branch_link.comp_id_1 
_pdbx_entity_branch_link.atom_id_1 
_pdbx_entity_branch_link.leaving_atom_id_1 
_pdbx_entity_branch_link.entity_branch_list_num_2 
_pdbx_entity_branch_link.comp_id_2 
_pdbx_entity_branch_link.atom_id_2 
_pdbx_entity_branch_link.leaving_atom_id_2 
_pdbx_entity_branch_link.value_order 
_pdbx_entity_branch_link.details 
1 2 2 NAG C1 O1 1 NAG O4 HO4 sing ? 
2 2 3 NAG C1 O1 2 NAG O4 HO4 sing ? 
# 
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 
NAG 'D-saccharide, beta linking' . 2-acetamido-2-deoxy-beta-D-glucopyranose 
;N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE
;
'C8 H15 N O6'    221.208 
PHE 'L-peptide linking'          y PHENYLALANINE                            ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking'          y PROLINE                                  ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking'          y SERINE                                   ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking'          y THREONINE                                ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking'          y TRYPTOPHAN                               ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking'          y TYROSINE                                 ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking'          y VALINE                                   ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
NAG 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DGlcpNAcb                      
NAG 'COMMON NAME'                         GMML     1.0 N-acetyl-b-D-glucopyranosamine 
NAG 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 b-D-GlcpNAc                    
NAG 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 GlcNAc                         
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   LYS 1   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_branch_scheme.asym_id 
_pdbx_branch_scheme.entity_id 
_pdbx_branch_scheme.mon_id 
_pdbx_branch_scheme.num 
_pdbx_branch_scheme.pdb_asym_id 
_pdbx_branch_scheme.pdb_mon_id 
_pdbx_branch_scheme.pdb_seq_num 
_pdbx_branch_scheme.auth_asym_id 
_pdbx_branch_scheme.auth_mon_id 
_pdbx_branch_scheme.auth_seq_num 
_pdbx_branch_scheme.hetero 
B 2 NAG 1 E NAG 1 A LIG 201 n 
B 2 NAG 2 E NAG 2 A LIG 201 n 
B 2 NAG 3 E NAG 3 A LIG 201 n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        NAG 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   NAG 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 3 CL  1  201 1  CL  CL  A . 
D 4 HOH 1  301 59 HOH HOH A . 
D 4 HOH 2  302 61 HOH HOH A . 
D 4 HOH 3  303 66 HOH HOH A . 
D 4 HOH 4  304 67 HOH HOH A . 
D 4 HOH 5  305 39 HOH HOH A . 
D 4 HOH 6  306 44 HOH HOH A . 
D 4 HOH 7  307 62 HOH HOH A . 
D 4 HOH 8  308 34 HOH HOH A . 
D 4 HOH 9  309 6  HOH HOH A . 
D 4 HOH 10 310 14 HOH HOH A . 
D 4 HOH 11 311 41 HOH HOH A . 
D 4 HOH 12 312 31 HOH HOH A . 
D 4 HOH 13 313 20 HOH HOH A . 
D 4 HOH 14 314 26 HOH HOH A . 
D 4 HOH 15 315 33 HOH HOH A . 
D 4 HOH 16 316 55 HOH HOH A . 
D 4 HOH 17 317 63 HOH HOH A . 
D 4 HOH 18 318 23 HOH HOH A . 
D 4 HOH 19 319 37 HOH HOH A . 
D 4 HOH 20 320 19 HOH HOH A . 
D 4 HOH 21 321 25 HOH HOH A . 
D 4 HOH 22 322 13 HOH HOH A . 
D 4 HOH 23 323 69 HOH HOH A . 
D 4 HOH 24 324 54 HOH HOH A . 
D 4 HOH 25 325 46 HOH HOH A . 
D 4 HOH 26 326 9  HOH HOH A . 
D 4 HOH 27 327 8  HOH HOH A . 
D 4 HOH 28 328 72 HOH HOH A . 
D 4 HOH 29 329 21 HOH HOH A . 
D 4 HOH 30 330 17 HOH HOH A . 
D 4 HOH 31 331 24 HOH HOH A . 
D 4 HOH 32 332 3  HOH HOH A . 
D 4 HOH 33 333 56 HOH HOH A . 
D 4 HOH 34 334 27 HOH HOH A . 
D 4 HOH 35 335 64 HOH HOH A . 
D 4 HOH 36 336 16 HOH HOH A . 
D 4 HOH 37 337 49 HOH HOH A . 
D 4 HOH 38 338 45 HOH HOH A . 
D 4 HOH 39 339 47 HOH HOH A . 
D 4 HOH 40 340 22 HOH HOH A . 
D 4 HOH 41 341 12 HOH HOH A . 
D 4 HOH 42 342 42 HOH HOH A . 
D 4 HOH 43 343 30 HOH HOH A . 
D 4 HOH 44 344 15 HOH HOH A . 
D 4 HOH 45 345 36 HOH HOH A . 
D 4 HOH 46 346 10 HOH HOH A . 
D 4 HOH 47 347 40 HOH HOH A . 
D 4 HOH 48 348 65 HOH HOH A . 
D 4 HOH 49 349 4  HOH HOH A . 
D 4 HOH 50 350 7  HOH HOH A . 
D 4 HOH 51 351 38 HOH HOH A . 
D 4 HOH 52 352 1  HOH HOH A . 
D 4 HOH 53 353 18 HOH HOH A . 
D 4 HOH 54 354 52 HOH HOH A . 
D 4 HOH 55 355 32 HOH HOH A . 
D 4 HOH 56 356 11 HOH HOH A . 
D 4 HOH 57 357 29 HOH HOH A . 
D 4 HOH 58 358 71 HOH HOH A . 
D 4 HOH 59 359 35 HOH HOH A . 
D 4 HOH 60 360 48 HOH HOH A . 
D 4 HOH 61 361 53 HOH HOH A . 
D 4 HOH 62 362 2  HOH HOH A . 
D 4 HOH 63 363 70 HOH HOH A . 
D 4 HOH 64 364 60 HOH HOH A . 
D 4 HOH 65 365 5  HOH HOH A . 
D 4 HOH 66 366 58 HOH HOH A . 
D 4 HOH 67 367 43 HOH HOH A . 
D 4 HOH 68 368 50 HOH HOH A . 
D 4 HOH 69 369 68 HOH HOH A . 
D 4 HOH 70 370 51 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_reference_DOI 
_software.pdbx_ordinal 
? refinement        ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? ? '(1.20.1_4487: ???)' ? 1 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? XSCALE      ? ? ? .                    ? 2 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? XDS         ? ? ? .                    ? 3 
? phasing           ? ? ? ? ? ? ? ? ? ? ? PHASER      ? ? ? .                    ? 4 
? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? .                    ? 5 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9ORX 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     77.530 
_cell.length_a_esd                 ? 
_cell.length_b                     77.530 
_cell.length_b_esd                 ? 
_cell.length_c                     37.800 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9ORX 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                96 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 43 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9ORX 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             1.98 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          37.94 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_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    '800 mM NaCl, 80 mM sodium acetate pH 4.8' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     'IMAGE PLATE' 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         RIGAKU 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2025-05-11 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.5418 
_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                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU FR-E+' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.5418 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9ORX 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.5 
_reflns.d_resolution_low                               27.41 
_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                                     25260 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.8 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                13.97 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          25.42 
_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                                   1.0 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.053 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.5 
_reflns_shell.d_res_low                                     1.6 
_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                             6213 
_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                               13.8 
_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                                  0.497 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          100 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.397 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               ? 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9ORX 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.50 
_refine.ls_d_res_low                             27.41 
_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                     18980 
_refine.ls_number_reflns_R_free                  949 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.84 
_refine.ls_percent_reflns_R_free                 5.00 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2080 
_refine.ls_R_factor_R_free                       0.2337 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2067 
_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.correlation_coeff_I_to_Fcsqd_work        ? 
_refine.correlation_coeff_I_to_Fcsqd_free        ? 
_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                          1.36 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 24.16 
_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                            0.21 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.50 
_refine_hist.d_res_low                        27.41 
_refine_hist.number_atoms_solvent             70 
_refine_hist.number_atoms_total               1115 
_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        1044 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         1 
_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_Zscore 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.008  ? 1070 ? f_bond_d           ? ? ? 
'X-RAY DIFFRACTION' ? 0.988  ? 1452 ? f_angle_d          ? ? ? 
'X-RAY DIFFRACTION' ? 18.486 ? 187  ? f_dihedral_angle_d ? ? ? 
'X-RAY DIFFRACTION' ? 0.063  ? 160  ? f_chiral_restr     ? ? ? 
'X-RAY DIFFRACTION' ? 0.007  ? 185  ? f_plane_restr      ? ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.correlation_coeff_Fo_to_Fc 
_refine_ls_shell.correlation_coeff_Fo_to_Fc_free 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_work 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_free 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.50 1.58  . . 133 2525 100.00 . . . . 0.2995 . . . . . . . . . . . . . . . 0.3019 
'X-RAY DIFFRACTION' 1.58 1.68  . . 134 2525 100.00 . . . . 0.2419 . . . . . . . . . . . . . . . 0.2585 
'X-RAY DIFFRACTION' 1.68 1.81  . . 134 2552 100.00 . . . . 0.3128 . . . . . . . . . . . . . . . 0.3570 
'X-RAY DIFFRACTION' 1.81 1.99  . . 134 2539 100.00 . . . . 0.2313 . . . . . . . . . . . . . . . 0.2866 
'X-RAY DIFFRACTION' 1.99 2.28  . . 133 2554 100.00 . . . . 0.2195 . . . . . . . . . . . . . . . 0.2601 
'X-RAY DIFFRACTION' 2.28 2.87  . . 137 2591 100.00 . . . . 0.2144 . . . . . . . . . . . . . . . 0.2495 
'X-RAY DIFFRACTION' 2.87 27.41 . . 144 2745 100.00 . . . . 0.1768 . . . . . . . . . . . . . . . 0.1885 
# 
_struct.entry_id                     9ORX 
_struct.title                        
;X-ray diffraction structure of lysozyme complexed with N,N',N"-triacetylchitotriose from a cocktail-soaked crystal
;
_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        9ORX 
_struct_keywords.text            'enzyme, ligand, complex, cocktail, 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 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              9ORX 
_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_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_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 ? ARG A 125 ? ASP A 119 ARG A 125 5 ? 7  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ?    ? A CYS 6  SG ? ? ? 1_555 A CYS 127 SG ? ? A CYS 6  A CYS 127 1_555 ? ? ? ? ? ? ? 2.014 ? ? 
disulf2 disulf ?    ? A CYS 30 SG ? ? ? 1_555 A CYS 115 SG ? ? A CYS 30 A CYS 115 1_555 ? ? ? ? ? ? ? 2.013 ? ? 
disulf3 disulf ?    ? A CYS 64 SG ? ? ? 1_555 A CYS 80  SG ? ? A CYS 64 A CYS 80  1_555 ? ? ? ? ? ? ? 2.051 ? ? 
disulf4 disulf ?    ? A CYS 76 SG ? ? ? 1_555 A CYS 94  SG ? ? A CYS 76 A CYS 94  1_555 ? ? ? ? ? ? ? 2.048 ? ? 
covale1 covale both ? B NAG .  O4 ? ? ? 1_555 B NAG .   C1 ? ? E NAG 1  E NAG 2   1_555 ? ? ? ? ? ? ? 1.399 ? ? 
covale2 covale both ? B NAG .  O4 ? ? ? 1_555 B NAG .   C1 ? ? E NAG 2  E NAG 3   1_555 ? ? ? ? ? ? ? 1.403 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
# 
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                   9ORX 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 319 ? D HOH . 
2 1 A HOH 337 ? D HOH . 
3 1 A HOH 369 ? D HOH . 
# 
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 
NAG C1   C  N R 251 
NAG C2   C  N R 252 
NAG C3   C  N R 253 
NAG C4   C  N S 254 
NAG C5   C  N R 255 
NAG C6   C  N N 256 
NAG C7   C  N N 257 
NAG C8   C  N N 258 
NAG N2   N  N N 259 
NAG O1   O  N N 260 
NAG O3   O  N N 261 
NAG O4   O  N N 262 
NAG O5   O  N N 263 
NAG O6   O  N N 264 
NAG O7   O  N N 265 
NAG H1   H  N N 266 
NAG H2   H  N N 267 
NAG H3   H  N N 268 
NAG H4   H  N N 269 
NAG H5   H  N N 270 
NAG H61  H  N N 271 
NAG H62  H  N N 272 
NAG H81  H  N N 273 
NAG H82  H  N N 274 
NAG H83  H  N N 275 
NAG HN2  H  N N 276 
NAG HO1  H  N N 277 
NAG HO3  H  N N 278 
NAG HO4  H  N N 279 
NAG HO6  H  N N 280 
PHE N    N  N N 281 
PHE CA   C  N S 282 
PHE C    C  N N 283 
PHE O    O  N N 284 
PHE CB   C  N N 285 
PHE CG   C  Y N 286 
PHE CD1  C  Y N 287 
PHE CD2  C  Y N 288 
PHE CE1  C  Y N 289 
PHE CE2  C  Y N 290 
PHE CZ   C  Y N 291 
PHE OXT  O  N N 292 
PHE H    H  N N 293 
PHE H2   H  N N 294 
PHE HA   H  N N 295 
PHE HB2  H  N N 296 
PHE HB3  H  N N 297 
PHE HD1  H  N N 298 
PHE HD2  H  N N 299 
PHE HE1  H  N N 300 
PHE HE2  H  N N 301 
PHE HZ   H  N N 302 
PHE HXT  H  N N 303 
PRO N    N  N N 304 
PRO CA   C  N S 305 
PRO C    C  N N 306 
PRO O    O  N N 307 
PRO CB   C  N N 308 
PRO CG   C  N N 309 
PRO CD   C  N N 310 
PRO OXT  O  N N 311 
PRO H    H  N N 312 
PRO HA   H  N N 313 
PRO HB2  H  N N 314 
PRO HB3  H  N N 315 
PRO HG2  H  N N 316 
PRO HG3  H  N N 317 
PRO HD2  H  N N 318 
PRO HD3  H  N N 319 
PRO HXT  H  N N 320 
SER N    N  N N 321 
SER CA   C  N S 322 
SER C    C  N N 323 
SER O    O  N N 324 
SER CB   C  N N 325 
SER OG   O  N N 326 
SER OXT  O  N N 327 
SER H    H  N N 328 
SER H2   H  N N 329 
SER HA   H  N N 330 
SER HB2  H  N N 331 
SER HB3  H  N N 332 
SER HG   H  N N 333 
SER HXT  H  N N 334 
THR N    N  N N 335 
THR CA   C  N S 336 
THR C    C  N N 337 
THR O    O  N N 338 
THR CB   C  N R 339 
THR OG1  O  N N 340 
THR CG2  C  N N 341 
THR OXT  O  N N 342 
THR H    H  N N 343 
THR H2   H  N N 344 
THR HA   H  N N 345 
THR HB   H  N N 346 
THR HG1  H  N N 347 
THR HG21 H  N N 348 
THR HG22 H  N N 349 
THR HG23 H  N N 350 
THR HXT  H  N N 351 
TRP N    N  N N 352 
TRP CA   C  N S 353 
TRP C    C  N N 354 
TRP O    O  N N 355 
TRP CB   C  N N 356 
TRP CG   C  Y N 357 
TRP CD1  C  Y N 358 
TRP CD2  C  Y N 359 
TRP NE1  N  Y N 360 
TRP CE2  C  Y N 361 
TRP CE3  C  Y N 362 
TRP CZ2  C  Y N 363 
TRP CZ3  C  Y N 364 
TRP CH2  C  Y N 365 
TRP OXT  O  N N 366 
TRP H    H  N N 367 
TRP H2   H  N N 368 
TRP HA   H  N N 369 
TRP HB2  H  N N 370 
TRP HB3  H  N N 371 
TRP HD1  H  N N 372 
TRP HE1  H  N N 373 
TRP HE3  H  N N 374 
TRP HZ2  H  N N 375 
TRP HZ3  H  N N 376 
TRP HH2  H  N N 377 
TRP HXT  H  N N 378 
TYR N    N  N N 379 
TYR CA   C  N S 380 
TYR C    C  N N 381 
TYR O    O  N N 382 
TYR CB   C  N N 383 
TYR CG   C  Y N 384 
TYR CD1  C  Y N 385 
TYR CD2  C  Y N 386 
TYR CE1  C  Y N 387 
TYR CE2  C  Y N 388 
TYR CZ   C  Y N 389 
TYR OH   O  N N 390 
TYR OXT  O  N N 391 
TYR H    H  N N 392 
TYR H2   H  N N 393 
TYR HA   H  N N 394 
TYR HB2  H  N N 395 
TYR HB3  H  N N 396 
TYR HD1  H  N N 397 
TYR HD2  H  N N 398 
TYR HE1  H  N N 399 
TYR HE2  H  N N 400 
TYR HH   H  N N 401 
TYR HXT  H  N N 402 
VAL N    N  N N 403 
VAL CA   C  N S 404 
VAL C    C  N N 405 
VAL O    O  N N 406 
VAL CB   C  N N 407 
VAL CG1  C  N N 408 
VAL CG2  C  N N 409 
VAL OXT  O  N N 410 
VAL H    H  N N 411 
VAL H2   H  N N 412 
VAL HA   H  N N 413 
VAL HB   H  N N 414 
VAL HG11 H  N N 415 
VAL HG12 H  N N 416 
VAL HG13 H  N N 417 
VAL HG21 H  N N 418 
VAL HG22 H  N N 419 
VAL HG23 H  N N 420 
VAL HXT  H  N N 421 
# 
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 
NAG C1  C2   sing N N 237 
NAG C1  O1   sing N N 238 
NAG C1  O5   sing N N 239 
NAG C1  H1   sing N N 240 
NAG C2  C3   sing N N 241 
NAG C2  N2   sing N N 242 
NAG C2  H2   sing N N 243 
NAG C3  C4   sing N N 244 
NAG C3  O3   sing N N 245 
NAG C3  H3   sing N N 246 
NAG C4  C5   sing N N 247 
NAG C4  O4   sing N N 248 
NAG C4  H4   sing N N 249 
NAG C5  C6   sing N N 250 
NAG C5  O5   sing N N 251 
NAG C5  H5   sing N N 252 
NAG C6  O6   sing N N 253 
NAG C6  H61  sing N N 254 
NAG C6  H62  sing N N 255 
NAG C7  C8   sing N N 256 
NAG C7  N2   sing N N 257 
NAG C7  O7   doub N N 258 
NAG C8  H81  sing N N 259 
NAG C8  H82  sing N N 260 
NAG C8  H83  sing N N 261 
NAG N2  HN2  sing N N 262 
NAG O1  HO1  sing N N 263 
NAG O3  HO3  sing N N 264 
NAG O4  HO4  sing N N 265 
NAG O6  HO6  sing N N 266 
PHE N   CA   sing N N 267 
PHE N   H    sing N N 268 
PHE N   H2   sing N N 269 
PHE CA  C    sing N N 270 
PHE CA  CB   sing N N 271 
PHE CA  HA   sing N N 272 
PHE C   O    doub N N 273 
PHE C   OXT  sing N N 274 
PHE CB  CG   sing N N 275 
PHE CB  HB2  sing N N 276 
PHE CB  HB3  sing N N 277 
PHE CG  CD1  doub Y N 278 
PHE CG  CD2  sing Y N 279 
PHE CD1 CE1  sing Y N 280 
PHE CD1 HD1  sing N N 281 
PHE CD2 CE2  doub Y N 282 
PHE CD2 HD2  sing N N 283 
PHE CE1 CZ   doub Y N 284 
PHE CE1 HE1  sing N N 285 
PHE CE2 CZ   sing Y N 286 
PHE CE2 HE2  sing N N 287 
PHE CZ  HZ   sing N N 288 
PHE OXT HXT  sing N N 289 
PRO N   CA   sing N N 290 
PRO N   CD   sing N N 291 
PRO N   H    sing N N 292 
PRO CA  C    sing N N 293 
PRO CA  CB   sing N N 294 
PRO CA  HA   sing N N 295 
PRO C   O    doub N N 296 
PRO C   OXT  sing N N 297 
PRO CB  CG   sing N N 298 
PRO CB  HB2  sing N N 299 
PRO CB  HB3  sing N N 300 
PRO CG  CD   sing N N 301 
PRO CG  HG2  sing N N 302 
PRO CG  HG3  sing N N 303 
PRO CD  HD2  sing N N 304 
PRO CD  HD3  sing N N 305 
PRO OXT HXT  sing N N 306 
SER N   CA   sing N N 307 
SER N   H    sing N N 308 
SER N   H2   sing N N 309 
SER CA  C    sing N N 310 
SER CA  CB   sing N N 311 
SER CA  HA   sing N N 312 
SER C   O    doub N N 313 
SER C   OXT  sing N N 314 
SER CB  OG   sing N N 315 
SER CB  HB2  sing N N 316 
SER CB  HB3  sing N N 317 
SER OG  HG   sing N N 318 
SER OXT HXT  sing N N 319 
THR N   CA   sing N N 320 
THR N   H    sing N N 321 
THR N   H2   sing N N 322 
THR CA  C    sing N N 323 
THR CA  CB   sing N N 324 
THR CA  HA   sing N N 325 
THR C   O    doub N N 326 
THR C   OXT  sing N N 327 
THR CB  OG1  sing N N 328 
THR CB  CG2  sing N N 329 
THR CB  HB   sing N N 330 
THR OG1 HG1  sing N N 331 
THR CG2 HG21 sing N N 332 
THR CG2 HG22 sing N N 333 
THR CG2 HG23 sing N N 334 
THR OXT HXT  sing N N 335 
TRP N   CA   sing N N 336 
TRP N   H    sing N N 337 
TRP N   H2   sing N N 338 
TRP CA  C    sing N N 339 
TRP CA  CB   sing N N 340 
TRP CA  HA   sing N N 341 
TRP C   O    doub N N 342 
TRP C   OXT  sing N N 343 
TRP CB  CG   sing N N 344 
TRP CB  HB2  sing N N 345 
TRP CB  HB3  sing N N 346 
TRP CG  CD1  doub Y N 347 
TRP CG  CD2  sing Y N 348 
TRP CD1 NE1  sing Y N 349 
TRP CD1 HD1  sing N N 350 
TRP CD2 CE2  doub Y N 351 
TRP CD2 CE3  sing Y N 352 
TRP NE1 CE2  sing Y N 353 
TRP NE1 HE1  sing N N 354 
TRP CE2 CZ2  sing Y N 355 
TRP CE3 CZ3  doub Y N 356 
TRP CE3 HE3  sing N N 357 
TRP CZ2 CH2  doub Y N 358 
TRP CZ2 HZ2  sing N N 359 
TRP CZ3 CH2  sing Y N 360 
TRP CZ3 HZ3  sing N N 361 
TRP CH2 HH2  sing N N 362 
TRP OXT HXT  sing N N 363 
TYR N   CA   sing N N 364 
TYR N   H    sing N N 365 
TYR N   H2   sing N N 366 
TYR CA  C    sing N N 367 
TYR CA  CB   sing N N 368 
TYR CA  HA   sing N N 369 
TYR C   O    doub N N 370 
TYR C   OXT  sing N N 371 
TYR CB  CG   sing N N 372 
TYR CB  HB2  sing N N 373 
TYR CB  HB3  sing N N 374 
TYR CG  CD1  doub Y N 375 
TYR CG  CD2  sing Y N 376 
TYR CD1 CE1  sing Y N 377 
TYR CD1 HD1  sing N N 378 
TYR CD2 CE2  doub Y N 379 
TYR CD2 HD2  sing N N 380 
TYR CE1 CZ   doub Y N 381 
TYR CE1 HE1  sing N N 382 
TYR CE2 CZ   sing Y N 383 
TYR CE2 HE2  sing N N 384 
TYR CZ  OH   sing N N 385 
TYR OH  HH   sing N N 386 
TYR OXT HXT  sing N N 387 
VAL N   CA   sing N N 388 
VAL N   H    sing N N 389 
VAL N   H2   sing N N 390 
VAL CA  C    sing N N 391 
VAL CA  CB   sing N N 392 
VAL CA  HA   sing N N 393 
VAL C   O    doub N N 394 
VAL C   OXT  sing N N 395 
VAL CB  CG1  sing N N 396 
VAL CB  CG2  sing N N 397 
VAL CB  HB   sing N N 398 
VAL CG1 HG11 sing N N 399 
VAL CG1 HG12 sing N N 400 
VAL CG1 HG13 sing N N 401 
VAL CG2 HG21 sing N N 402 
VAL CG2 HG22 sing N N 403 
VAL CG2 HG23 sing N N 404 
VAL OXT HXT  sing N N 405 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'Howard Hughes Medical Institute (HHMI)'           'United States' HHMI-EPI          1 
'National Science Foundation (NSF, United States)' 'United States' DMR-1548924       2 
'Department of Energy (DOE, United States)'        'United States' DE-FC02-02ER63421 3 
# 
loop_
_pdbx_entity_branch_list.entity_id 
_pdbx_entity_branch_list.comp_id 
_pdbx_entity_branch_list.num 
_pdbx_entity_branch_list.hetero 
2 NAG 1 n 
2 NAG 2 n 
2 NAG 3 n 
# 
_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   1DPX 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9ORX 
_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]   0.012898 
_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]   0.012898 
_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]   0.026455 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C  
CL 
N  
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . LYS A 1 1   ? -2.616  -9.434  -8.658  1.00 28.71 ? 1   LYS A N   1 
ATOM   2    C  CA  . LYS A 1 1   ? -1.659  -9.881  -9.666  1.00 29.52 ? 1   LYS A CA  1 
ATOM   3    C  C   . LYS A 1 1   ? -1.731  -11.368 -9.887  1.00 30.00 ? 1   LYS A C   1 
ATOM   4    O  O   . LYS A 1 1   ? -1.717  -12.139 -8.929  1.00 28.53 ? 1   LYS A O   1 
ATOM   5    C  CB  . LYS A 1 1   ? -0.238  -9.501  -9.255  1.00 29.91 ? 1   LYS A CB  1 
ATOM   6    C  CG  . LYS A 1 1   ? 0.823   -10.066 -10.177 1.00 29.69 ? 1   LYS A CG  1 
ATOM   7    C  CD  . LYS A 1 1   ? 2.140   -9.407  -9.915  1.00 27.85 ? 1   LYS A CD  1 
ATOM   8    C  CE  . LYS A 1 1   ? 3.236   -10.013 -10.766 1.00 32.28 ? 1   LYS A CE  1 
ATOM   9    N  NZ  . LYS A 1 1   ? 4.568   -9.395  -10.472 1.00 39.40 ? 1   LYS A NZ  1 
ATOM   10   N  N   . VAL A 1 2   ? -1.807  -11.771 -11.149 1.00 28.94 ? 2   VAL A N   1 
ATOM   11   C  CA  . VAL A 1 2   ? -1.718  -13.172 -11.530 1.00 25.95 ? 2   VAL A CA  1 
ATOM   12   C  C   . VAL A 1 2   ? -0.288  -13.398 -11.991 1.00 31.20 ? 2   VAL A C   1 
ATOM   13   O  O   . VAL A 1 2   ? 0.113   -12.925 -13.064 1.00 30.71 ? 2   VAL A O   1 
ATOM   14   C  CB  . VAL A 1 2   ? -2.735  -13.544 -12.618 1.00 28.43 ? 2   VAL A CB  1 
ATOM   15   C  CG1 . VAL A 1 2   ? -2.523  -14.974 -13.059 1.00 33.20 ? 2   VAL A CG1 1 
ATOM   16   C  CG2 . VAL A 1 2   ? -4.186  -13.383 -12.106 1.00 29.41 ? 2   VAL A CG2 1 
ATOM   17   N  N   . PHE A 1 3   ? 0.491   -14.073 -11.147 1.00 27.86 ? 3   PHE A N   1 
ATOM   18   C  CA  . PHE A 1 3   ? 1.878   -14.386 -11.457 1.00 28.25 ? 3   PHE A CA  1 
ATOM   19   C  C   . PHE A 1 3   ? 1.958   -15.413 -12.573 1.00 27.80 ? 3   PHE A C   1 
ATOM   20   O  O   . PHE A 1 3   ? 1.101   -16.290 -12.711 1.00 28.29 ? 3   PHE A O   1 
ATOM   21   C  CB  . PHE A 1 3   ? 2.601   -14.967 -10.234 1.00 28.93 ? 3   PHE A CB  1 
ATOM   22   C  CG  . PHE A 1 3   ? 3.203   -13.941 -9.323  1.00 26.37 ? 3   PHE A CG  1 
ATOM   23   C  CD1 . PHE A 1 3   ? 2.428   -13.282 -8.381  1.00 27.93 ? 3   PHE A CD1 1 
ATOM   24   C  CD2 . PHE A 1 3   ? 4.554   -13.628 -9.411  1.00 26.83 ? 3   PHE A CD2 1 
ATOM   25   C  CE1 . PHE A 1 3   ? 2.987   -12.343 -7.533  1.00 27.78 ? 3   PHE A CE1 1 
ATOM   26   C  CE2 . PHE A 1 3   ? 5.116   -12.696 -8.586  1.00 26.71 ? 3   PHE A CE2 1 
ATOM   27   C  CZ  . PHE A 1 3   ? 4.340   -12.033 -7.638  1.00 29.21 ? 3   PHE A CZ  1 
ATOM   28   N  N   . GLY A 1 4   ? 3.032   -15.318 -13.352 1.00 30.79 ? 4   GLY A N   1 
ATOM   29   C  CA  . GLY A 1 4   ? 3.443   -16.449 -14.147 1.00 27.99 ? 4   GLY A CA  1 
ATOM   30   C  C   . GLY A 1 4   ? 4.096   -17.510 -13.279 1.00 28.33 ? 4   GLY A C   1 
ATOM   31   O  O   . GLY A 1 4   ? 4.582   -17.233 -12.186 1.00 28.47 ? 4   GLY A O   1 
ATOM   32   N  N   . ARG A 1 5   ? 4.100   -18.744 -13.778 1.00 28.30 ? 5   ARG A N   1 
ATOM   33   C  CA  . ARG A 1 5   ? 4.710   -19.848 -13.043 1.00 29.34 ? 5   ARG A CA  1 
ATOM   34   C  C   . ARG A 1 5   ? 6.181   -19.562 -12.727 1.00 31.01 ? 5   ARG A C   1 
ATOM   35   O  O   . ARG A 1 5   ? 6.592   -19.552 -11.560 1.00 30.89 ? 5   ARG A O   1 
ATOM   36   C  CB  . ARG A 1 5   ? 4.551   -21.143 -13.841 1.00 29.89 ? 5   ARG A CB  1 
ATOM   37   C  CG  . ARG A 1 5   ? 5.188   -22.355 -13.180 1.00 29.67 ? 5   ARG A CG  1 
ATOM   38   C  CD  . ARG A 1 5   ? 4.916   -23.610 -13.990 1.00 31.17 ? 5   ARG A CD  1 
ATOM   39   N  NE  . ARG A 1 5   ? 5.427   -23.534 -15.358 1.00 34.84 ? 5   ARG A NE  1 
ATOM   40   C  CZ  . ARG A 1 5   ? 6.656   -23.885 -15.714 1.00 34.17 ? 5   ARG A CZ  1 
ATOM   41   N  NH1 . ARG A 1 5   ? 7.542   -24.299 -14.824 1.00 35.62 ? 5   ARG A NH1 1 
ATOM   42   N  NH2 . ARG A 1 5   ? 7.001   -23.840 -16.999 1.00 36.06 ? 5   ARG A NH2 1 
ATOM   43   N  N   . CYS A 1 6   ? 7.000   -19.307 -13.759 1.00 30.34 ? 6   CYS A N   1 
ATOM   44   C  CA  . CYS A 1 6   ? 8.414   -19.044 -13.494 1.00 31.50 ? 6   CYS A CA  1 
ATOM   45   C  C   . CYS A 1 6   ? 8.620   -17.703 -12.802 1.00 29.63 ? 6   CYS A C   1 
ATOM   46   O  O   . CYS A 1 6   ? 9.578   -17.538 -12.037 1.00 28.81 ? 6   CYS A O   1 
ATOM   47   C  CB  . CYS A 1 6   ? 9.216   -19.101 -14.796 1.00 33.74 ? 6   CYS A CB  1 
ATOM   48   S  SG  . CYS A 1 6   ? 9.350   -20.767 -15.483 1.00 33.30 ? 6   CYS A SG  1 
ATOM   49   N  N   . GLU A 1 7   ? 7.755   -16.729 -13.087 1.00 27.65 ? 7   GLU A N   1 
ATOM   50   C  CA  . GLU A 1 7   ? 7.788   -15.464 -12.366 1.00 28.80 ? 7   GLU A CA  1 
ATOM   51   C  C   . GLU A 1 7   ? 7.600   -15.689 -10.869 1.00 28.20 ? 7   GLU A C   1 
ATOM   52   O  O   . GLU A 1 7   ? 8.340   -15.133 -10.046 1.00 29.14 ? 7   GLU A O   1 
ATOM   53   C  CB  . GLU A 1 7   ? 6.711   -14.521 -12.908 1.00 30.34 ? 7   GLU A CB  1 
ATOM   54   C  CG  . GLU A 1 7   ? 6.772   -13.130 -12.282 1.00 30.76 ? 7   GLU A CG  1 
ATOM   55   C  CD  . GLU A 1 7   ? 5.628   -12.243 -12.720 1.00 30.66 ? 7   GLU A CD  1 
ATOM   56   O  OE1 . GLU A 1 7   ? 4.628   -12.763 -13.260 1.00 31.41 ? 7   GLU A OE1 1 
ATOM   57   O  OE2 . GLU A 1 7   ? 5.750   -11.011 -12.536 1.00 35.05 ? 7   GLU A OE2 1 
ATOM   58   N  N   . LEU A 1 8   ? 6.619   -16.519 -10.496 1.00 26.41 ? 8   LEU A N   1 
ATOM   59   C  CA  . LEU A 1 8   ? 6.398   -16.760 -9.073  1.00 23.86 ? 8   LEU A CA  1 
ATOM   60   C  C   . LEU A 1 8   ? 7.534   -17.576 -8.480  1.00 26.55 ? 8   LEU A C   1 
ATOM   61   O  O   . LEU A 1 8   ? 7.974   -17.308 -7.359  1.00 27.27 ? 8   LEU A O   1 
ATOM   62   C  CB  . LEU A 1 8   ? 5.064   -17.464 -8.851  1.00 26.39 ? 8   LEU A CB  1 
ATOM   63   C  CG  . LEU A 1 8   ? 4.740   -17.754 -7.383  1.00 26.86 ? 8   LEU A CG  1 
ATOM   64   C  CD1 . LEU A 1 8   ? 4.598   -16.483 -6.544  1.00 27.63 ? 8   LEU A CD1 1 
ATOM   65   C  CD2 . LEU A 1 8   ? 3.496   -18.628 -7.308  1.00 29.88 ? 8   LEU A CD2 1 
ATOM   66   N  N   . ALA A 1 9   ? 8.002   -18.585 -9.214  1.00 27.16 ? 9   ALA A N   1 
ATOM   67   C  CA  . ALA A 1 9   ? 9.167   -19.356 -8.792  1.00 27.96 ? 9   ALA A CA  1 
ATOM   68   C  C   . ALA A 1 9   ? 10.331  -18.440 -8.441  1.00 28.75 ? 9   ALA A C   1 
ATOM   69   O  O   . ALA A 1 9   ? 10.963  -18.592 -7.390  1.00 27.41 ? 9   ALA A O   1 
ATOM   70   C  CB  . ALA A 1 9   ? 9.558   -20.345 -9.894  1.00 29.03 ? 9   ALA A CB  1 
ATOM   71   N  N   . ALA A 1 10  ? 10.615  -17.457 -9.300  1.00 27.13 ? 10  ALA A N   1 
ATOM   72   C  CA  . ALA A 1 10  ? 11.754  -16.581 -9.060  1.00 32.40 ? 10  ALA A CA  1 
ATOM   73   C  C   . ALA A 1 10  ? 11.530  -15.699 -7.836  1.00 29.29 ? 10  ALA A C   1 
ATOM   74   O  O   . ALA A 1 10  ? 12.460  -15.456 -7.056  1.00 30.95 ? 10  ALA A O   1 
ATOM   75   C  CB  . ALA A 1 10  ? 12.011  -15.730 -10.303 1.00 31.18 ? 10  ALA A CB  1 
ATOM   76   N  N   . ALA A 1 11  ? 10.312  -15.193 -7.660  1.00 29.15 ? 11  ALA A N   1 
ATOM   77   C  CA  . ALA A 1 11  ? 10.023  -14.363 -6.497  1.00 28.10 ? 11  ALA A CA  1 
ATOM   78   C  C   . ALA A 1 11  ? 10.108  -15.169 -5.213  1.00 29.75 ? 11  ALA A C   1 
ATOM   79   O  O   . ALA A 1 11  ? 10.611  -14.679 -4.197  1.00 30.37 ? 11  ALA A O   1 
ATOM   80   C  CB  . ALA A 1 11  ? 8.650   -13.718 -6.646  1.00 28.97 ? 11  ALA A CB  1 
ATOM   81   N  N   . MET A 1 12  ? 9.616   -16.407 -5.239  1.00 29.04 ? 12  MET A N   1 
ATOM   82   C  CA  . MET A 1 12  ? 9.704   -17.242 -4.047  1.00 28.72 ? 12  MET A CA  1 
ATOM   83   C  C   . MET A 1 12  ? 11.151  -17.577 -3.699  1.00 29.49 ? 12  MET A C   1 
ATOM   84   O  O   . MET A 1 12  ? 11.535  -17.536 -2.522  1.00 28.84 ? 12  MET A O   1 
ATOM   85   C  CB  . MET A 1 12  ? 8.875   -18.514 -4.217  1.00 25.94 ? 12  MET A CB  1 
ATOM   86   C  CG  . MET A 1 12  ? 7.359   -18.310 -4.197  1.00 26.93 ? 12  MET A CG  1 
ATOM   87   S  SD  . MET A 1 12  ? 6.507   -19.865 -4.537  1.00 26.35 ? 12  MET A SD  1 
ATOM   88   C  CE  . MET A 1 12  ? 4.887   -19.587 -3.819  1.00 25.21 ? 12  MET A CE  1 
ATOM   89   N  N   . LYS A 1 13  ? 11.972  -17.886 -4.704  1.00 30.03 ? 13  LYS A N   1 
ATOM   90   C  CA  . LYS A 1 13  ? 13.387  -18.140 -4.448  1.00 31.38 ? 13  LYS A CA  1 
ATOM   91   C  C   . LYS A 1 13  ? 14.067  -16.918 -3.847  1.00 32.30 ? 13  LYS A C   1 
ATOM   92   O  O   . LYS A 1 13  ? 14.811  -17.029 -2.862  1.00 33.09 ? 13  LYS A O   1 
ATOM   93   C  CB  . LYS A 1 13  ? 14.097  -18.564 -5.729  1.00 32.96 ? 13  LYS A CB  1 
ATOM   94   C  CG  . LYS A 1 13  ? 15.515  -19.079 -5.465  1.00 35.75 ? 13  LYS A CG  1 
ATOM   95   C  CD  . LYS A 1 13  ? 16.370  -19.085 -6.718  1.00 38.41 ? 13  LYS A CD  1 
ATOM   96   C  CE  . LYS A 1 13  ? 16.601  -20.486 -7.229  1.00 46.26 ? 13  LYS A CE  1 
ATOM   97   N  NZ  . LYS A 1 13  ? 18.021  -20.701 -7.646  1.00 44.73 ? 13  LYS A NZ  1 
ATOM   98   N  N   . ARG A 1 14  ? 13.810  -15.735 -4.416  1.00 29.90 ? 14  ARG A N   1 
ATOM   99   C  CA  . ARG A 1 14  ? 14.452  -14.528 -3.900  1.00 33.33 ? 14  ARG A CA  1 
ATOM   100  C  C   . ARG A 1 14  ? 14.125  -14.303 -2.430  1.00 31.68 ? 14  ARG A C   1 
ATOM   101  O  O   . ARG A 1 14  ? 14.994  -13.889 -1.655  1.00 36.14 ? 14  ARG A O   1 
ATOM   102  C  CB  . ARG A 1 14  ? 14.042  -13.310 -4.717  1.00 30.95 ? 14  ARG A CB  1 
ATOM   103  C  CG  . ARG A 1 14  ? 14.607  -12.031 -4.124  1.00 33.39 ? 14  ARG A CG  1 
ATOM   104  C  CD  . ARG A 1 14  ? 14.447  -10.895 -5.080  1.00 37.22 ? 14  ARG A CD  1 
ATOM   105  N  NE  . ARG A 1 14  ? 13.060  -10.761 -5.500  1.00 38.34 ? 14  ARG A NE  1 
ATOM   106  C  CZ  . ARG A 1 14  ? 12.164  -9.998  -4.888  1.00 37.93 ? 14  ARG A CZ  1 
ATOM   107  N  NH1 . ARG A 1 14  ? 12.479  -9.293  -3.813  1.00 37.33 ? 14  ARG A NH1 1 
ATOM   108  N  NH2 . ARG A 1 14  ? 10.925  -9.942  -5.369  1.00 39.12 ? 14  ARG A NH2 1 
ATOM   109  N  N   . HIS A 1 15  ? 12.880  -14.565 -2.027  1.00 29.80 ? 15  HIS A N   1 
ATOM   110  C  CA  . HIS A 1 15  ? 12.448  -14.426 -0.642  1.00 30.87 ? 15  HIS A CA  1 
ATOM   111  C  C   . HIS A 1 15  ? 12.782  -15.645 0.231   1.00 31.94 ? 15  HIS A C   1 
ATOM   112  O  O   . HIS A 1 15  ? 12.354  -15.679 1.391   1.00 32.35 ? 15  HIS A O   1 
ATOM   113  C  CB  . HIS A 1 15  ? 10.943  -14.138 -0.575  1.00 31.52 ? 15  HIS A CB  1 
ATOM   114  C  CG  . HIS A 1 15  ? 10.561  -12.785 -1.088  1.00 31.73 ? 15  HIS A CG  1 
ATOM   115  N  ND1 . HIS A 1 15  ? 10.007  -12.585 -2.333  1.00 34.61 ? 15  HIS A ND1 1 
ATOM   116  C  CD2 . HIS A 1 15  ? 10.646  -11.562 -0.512  1.00 37.11 ? 15  HIS A CD2 1 
ATOM   117  C  CE1 . HIS A 1 15  ? 9.780   -11.295 -2.510  1.00 34.44 ? 15  HIS A CE1 1 
ATOM   118  N  NE2 . HIS A 1 15  ? 10.155  -10.654 -1.418  1.00 36.46 ? 15  HIS A NE2 1 
ATOM   119  N  N   . GLY A 1 16  ? 13.531  -16.620 -0.280  1.00 30.64 ? 16  GLY A N   1 
ATOM   120  C  CA  . GLY A 1 16  ? 14.110  -17.649 0.566   1.00 31.75 ? 16  GLY A CA  1 
ATOM   121  C  C   . GLY A 1 16  ? 13.276  -18.887 0.808   1.00 32.59 ? 16  GLY A C   1 
ATOM   122  O  O   . GLY A 1 16  ? 13.531  -19.601 1.791   1.00 34.20 ? 16  GLY A O   1 
ATOM   123  N  N   . LEU A 1 17  ? 12.317  -19.202 -0.071  1.00 31.10 ? 17  LEU A N   1 
ATOM   124  C  CA  . LEU A 1 17  ? 11.489  -20.391 0.130   1.00 30.50 ? 17  LEU A CA  1 
ATOM   125  C  C   . LEU A 1 17  ? 12.073  -21.663 -0.476  1.00 34.26 ? 17  LEU A C   1 
ATOM   126  O  O   . LEU A 1 17  ? 11.698  -22.757 -0.030  1.00 32.44 ? 17  LEU A O   1 
ATOM   127  C  CB  . LEU A 1 17  ? 10.080  -20.180 -0.434  1.00 29.31 ? 17  LEU A CB  1 
ATOM   128  C  CG  . LEU A 1 17  ? 9.046   -19.439 0.407   1.00 31.12 ? 17  LEU A CG  1 
ATOM   129  C  CD1 . LEU A 1 17  ? 7.727   -19.467 -0.339  1.00 30.16 ? 17  LEU A CD1 1 
ATOM   130  C  CD2 . LEU A 1 17  ? 8.874   -20.039 1.805   1.00 29.38 ? 17  LEU A CD2 1 
ATOM   131  N  N   . ASP A 1 18  ? 12.960  -21.572 -1.477  1.00 32.76 ? 18  ASP A N   1 
ATOM   132  C  CA  . ASP A 1 18  ? 13.574  -22.786 -2.009  1.00 32.78 ? 18  ASP A CA  1 
ATOM   133  C  C   . ASP A 1 18  ? 14.297  -23.530 -0.899  1.00 35.06 ? 18  ASP A C   1 
ATOM   134  O  O   . ASP A 1 18  ? 15.260  -23.031 -0.302  1.00 35.12 ? 18  ASP A O   1 
ATOM   135  C  CB  . ASP A 1 18  ? 14.522  -22.501 -3.186  1.00 34.99 ? 18  ASP A CB  1 
ATOM   136  C  CG  . ASP A 1 18  ? 15.021  -23.791 -3.901  1.00 38.74 ? 18  ASP A CG  1 
ATOM   137  O  OD1 . ASP A 1 18  ? 14.379  -24.880 -3.828  1.00 37.87 ? 18  ASP A OD1 1 
ATOM   138  O  OD2 . ASP A 1 18  ? 16.046  -23.691 -4.626  1.00 40.86 ? 18  ASP A OD2 1 
ATOM   139  N  N   . ASN A 1 19  ? 13.775  -24.707 -0.595  1.00 31.98 ? 19  ASN A N   1 
ATOM   140  C  CA  . ASN A 1 19  ? 14.255  -25.597 0.446   1.00 30.31 ? 19  ASN A CA  1 
ATOM   141  C  C   . ASN A 1 19  ? 14.076  -25.025 1.841   1.00 29.58 ? 19  ASN A C   1 
ATOM   142  O  O   . ASN A 1 19  ? 14.761  -25.455 2.777   1.00 31.75 ? 19  ASN A O   1 
ATOM   143  C  CB  . ASN A 1 19  ? 15.704  -25.999 0.204   1.00 36.00 ? 19  ASN A CB  1 
ATOM   144  C  CG  . ASN A 1 19  ? 15.798  -27.303 -0.542  1.00 40.03 ? 19  ASN A CG  1 
ATOM   145  O  OD1 . ASN A 1 19  ? 15.430  -28.361 -0.010  1.00 45.66 ? 19  ASN A OD1 1 
ATOM   146  N  ND2 . ASN A 1 19  ? 16.270  -27.246 -1.790  1.00 44.48 ? 19  ASN A ND2 1 
ATOM   147  N  N   . TYR A 1 20  ? 13.130  -24.106 2.024   1.00 28.81 ? 20  TYR A N   1 
ATOM   148  C  CA  . TYR A 1 20  ? 12.822  -23.660 3.370   1.00 27.94 ? 20  TYR A CA  1 
ATOM   149  C  C   . TYR A 1 20  ? 12.161  -24.795 4.132   1.00 29.25 ? 20  TYR A C   1 
ATOM   150  O  O   . TYR A 1 20  ? 11.184  -25.388 3.656   1.00 26.92 ? 20  TYR A O   1 
ATOM   151  C  CB  . TYR A 1 20  ? 11.919  -22.435 3.358   1.00 29.33 ? 20  TYR A CB  1 
ATOM   152  C  CG  . TYR A 1 20  ? 11.797  -21.816 4.723   1.00 29.31 ? 20  TYR A CG  1 
ATOM   153  C  CD1 . TYR A 1 20  ? 12.706  -20.852 5.150   1.00 29.34 ? 20  TYR A CD1 1 
ATOM   154  C  CD2 . TYR A 1 20  ? 10.804  -22.217 5.607   1.00 27.26 ? 20  TYR A CD2 1 
ATOM   155  C  CE1 . TYR A 1 20  ? 12.609  -20.283 6.402   1.00 29.27 ? 20  TYR A CE1 1 
ATOM   156  C  CE2 . TYR A 1 20  ? 10.701  -21.657 6.870   1.00 29.44 ? 20  TYR A CE2 1 
ATOM   157  C  CZ  . TYR A 1 20  ? 11.616  -20.694 7.260   1.00 30.04 ? 20  TYR A CZ  1 
ATOM   158  O  OH  . TYR A 1 20  ? 11.523  -20.132 8.507   1.00 33.73 ? 20  TYR A OH  1 
ATOM   159  N  N   . ARG A 1 21  ? 12.703  -25.097 5.313   1.00 27.86 ? 21  ARG A N   1 
ATOM   160  C  CA  . ARG A 1 21  ? 12.272  -26.240 6.125   1.00 31.85 ? 21  ARG A CA  1 
ATOM   161  C  C   . ARG A 1 21  ? 12.327  -27.543 5.328   1.00 28.93 ? 21  ARG A C   1 
ATOM   162  O  O   . ARG A 1 21  ? 11.556  -28.477 5.583   1.00 31.77 ? 21  ARG A O   1 
ATOM   163  C  CB  . ARG A 1 21  ? 10.868  -26.009 6.693   1.00 33.76 ? 21  ARG A CB  1 
ATOM   164  C  CG  . ARG A 1 21  ? 10.795  -25.174 7.972   1.00 36.94 ? 21  ARG A CG  1 
ATOM   165  C  CD  . ARG A 1 21  ? 11.500  -25.816 9.159   1.00 41.42 ? 21  ARG A CD  1 
ATOM   166  N  NE  . ARG A 1 21  ? 10.597  -26.700 9.893   1.00 42.47 ? 21  ARG A NE  1 
ATOM   167  C  CZ  . ARG A 1 21  ? 10.253  -26.554 11.169  1.00 44.70 ? 21  ARG A CZ  1 
ATOM   168  N  NH1 . ARG A 1 21  ? 10.719  -25.556 11.906  1.00 45.76 ? 21  ARG A NH1 1 
ATOM   169  N  NH2 . ARG A 1 21  ? 9.419   -27.434 11.721  1.00 47.12 ? 21  ARG A NH2 1 
ATOM   170  N  N   . GLY A 1 22  ? 13.231  -27.623 4.353   1.00 27.95 ? 22  GLY A N   1 
ATOM   171  C  CA  . GLY A 1 22  ? 13.393  -28.815 3.546   1.00 26.04 ? 22  GLY A CA  1 
ATOM   172  C  C   . GLY A 1 22  ? 12.469  -28.938 2.351   1.00 27.54 ? 22  GLY A C   1 
ATOM   173  O  O   . GLY A 1 22  ? 12.538  -29.948 1.641   1.00 28.73 ? 22  GLY A O   1 
ATOM   174  N  N   . TYR A 1 23  ? 11.614  -27.946 2.088   1.00 25.64 ? 23  TYR A N   1 
ATOM   175  C  CA  . TYR A 1 23  ? 10.655  -28.038 0.988   1.00 27.70 ? 23  TYR A CA  1 
ATOM   176  C  C   . TYR A 1 23  ? 11.212  -27.348 -0.252  1.00 26.71 ? 23  TYR A C   1 
ATOM   177  O  O   . TYR A 1 23  ? 11.327  -26.120 -0.281  1.00 27.24 ? 23  TYR A O   1 
ATOM   178  C  CB  . TYR A 1 23  ? 9.317   -27.433 1.395   1.00 23.24 ? 23  TYR A CB  1 
ATOM   179  C  CG  . TYR A 1 23  ? 8.589   -28.258 2.417   1.00 22.20 ? 23  TYR A CG  1 
ATOM   180  C  CD1 . TYR A 1 23  ? 7.764   -29.319 2.030   1.00 23.51 ? 23  TYR A CD1 1 
ATOM   181  C  CD2 . TYR A 1 23  ? 8.756   -28.007 3.770   1.00 22.87 ? 23  TYR A CD2 1 
ATOM   182  C  CE1 . TYR A 1 23  ? 7.087   -30.077 2.968   1.00 20.30 ? 23  TYR A CE1 1 
ATOM   183  C  CE2 . TYR A 1 23  ? 8.105   -28.768 4.726   1.00 25.92 ? 23  TYR A CE2 1 
ATOM   184  C  CZ  . TYR A 1 23  ? 7.262   -29.800 4.315   1.00 24.57 ? 23  TYR A CZ  1 
ATOM   185  O  OH  . TYR A 1 23  ? 6.609   -30.562 5.265   1.00 23.36 ? 23  TYR A OH  1 
ATOM   186  N  N   . SER A 1 24  ? 11.472  -28.132 -1.298  1.00 27.08 ? 24  SER A N   1 
ATOM   187  C  CA  . SER A 1 24  ? 12.016  -27.597 -2.547  1.00 27.15 ? 24  SER A CA  1 
ATOM   188  C  C   . SER A 1 24  ? 11.062  -26.590 -3.178  1.00 26.73 ? 24  SER A C   1 
ATOM   189  O  O   . SER A 1 24  ? 9.857   -26.578 -2.916  1.00 26.55 ? 24  SER A O   1 
ATOM   190  C  CB  . SER A 1 24  ? 12.297  -28.721 -3.546  1.00 28.66 ? 24  SER A CB  1 
ATOM   191  O  OG  . SER A 1 24  ? 11.111  -29.359 -3.990  1.00 29.88 ? 24  SER A OG  1 
ATOM   192  N  N   . LEU A 1 25  ? 11.617  -25.761 -4.069  1.00 25.63 ? 25  LEU A N   1 
ATOM   193  C  CA  . LEU A 1 25  ? 10.833  -24.687 -4.682  1.00 24.23 ? 25  LEU A CA  1 
ATOM   194  C  C   . LEU A 1 25  ? 9.565   -25.207 -5.372  1.00 24.07 ? 25  LEU A C   1 
ATOM   195  O  O   . LEU A 1 25  ? 8.502   -24.562 -5.315  1.00 22.02 ? 25  LEU A O   1 
ATOM   196  C  CB  . LEU A 1 25  ? 11.728  -23.935 -5.667  1.00 27.16 ? 25  LEU A CB  1 
ATOM   197  C  CG  . LEU A 1 25  ? 11.198  -22.620 -6.224  1.00 28.36 ? 25  LEU A CG  1 
ATOM   198  C  CD1 . LEU A 1 25  ? 10.855  -21.715 -5.072  1.00 27.30 ? 25  LEU A CD1 1 
ATOM   199  C  CD2 . LEU A 1 25  ? 12.299  -21.979 -7.051  1.00 27.59 ? 25  LEU A CD2 1 
ATOM   200  N  N   . GLY A 1 26  ? 9.654   -26.355 -6.041  1.00 26.05 ? 26  GLY A N   1 
ATOM   201  C  CA  . GLY A 1 26  ? 8.495   -26.899 -6.740  1.00 25.29 ? 26  GLY A CA  1 
ATOM   202  C  C   . GLY A 1 26  ? 7.311   -27.161 -5.825  1.00 24.00 ? 26  GLY A C   1 
ATOM   203  O  O   . GLY A 1 26  ? 6.160   -27.062 -6.255  1.00 23.49 ? 26  GLY A O   1 
ATOM   204  N  N   . ASN A 1 27  ? 7.570   -27.505 -4.558  1.00 23.92 ? 27  ASN A N   1 
ATOM   205  C  CA  . ASN A 1 27  ? 6.477   -27.696 -3.599  1.00 25.95 ? 27  ASN A CA  1 
ATOM   206  C  C   . ASN A 1 27  ? 5.688   -26.412 -3.404  1.00 23.26 ? 27  ASN A C   1 
ATOM   207  O  O   . ASN A 1 27  ? 4.449   -26.416 -3.414  1.00 21.60 ? 27  ASN A O   1 
ATOM   208  C  CB  . ASN A 1 27  ? 7.035   -28.157 -2.253  1.00 23.55 ? 27  ASN A CB  1 
ATOM   209  C  CG  . ASN A 1 27  ? 7.392   -29.603 -2.255  1.00 24.84 ? 27  ASN A CG  1 
ATOM   210  O  OD1 . ASN A 1 27  ? 6.514   -30.456 -2.207  1.00 23.46 ? 27  ASN A OD1 1 
ATOM   211  N  ND2 . ASN A 1 27  ? 8.693   -29.901 -2.349  1.00 26.49 ? 27  ASN A ND2 1 
ATOM   212  N  N   . TRP A 1 28  ? 6.403   -25.304 -3.209  1.00 22.09 ? 28  TRP A N   1 
ATOM   213  C  CA  . TRP A 1 28  ? 5.755   -24.018 -3.003  1.00 23.73 ? 28  TRP A CA  1 
ATOM   214  C  C   . TRP A 1 28  ? 5.006   -23.555 -4.252  1.00 22.35 ? 28  TRP A C   1 
ATOM   215  O  O   . TRP A 1 28  ? 3.909   -22.988 -4.148  1.00 22.21 ? 28  TRP A O   1 
ATOM   216  C  CB  . TRP A 1 28  ? 6.816   -23.008 -2.586  1.00 23.04 ? 28  TRP A CB  1 
ATOM   217  C  CG  . TRP A 1 28  ? 7.457   -23.365 -1.295  1.00 22.50 ? 28  TRP A CG  1 
ATOM   218  C  CD1 . TRP A 1 28  ? 8.698   -23.921 -1.112  1.00 24.56 ? 28  TRP A CD1 1 
ATOM   219  C  CD2 . TRP A 1 28  ? 6.884   -23.225 0.008   1.00 24.29 ? 28  TRP A CD2 1 
ATOM   220  N  NE1 . TRP A 1 28  ? 8.935   -24.114 0.227   1.00 23.93 ? 28  TRP A NE1 1 
ATOM   221  C  CE2 . TRP A 1 28  ? 7.838   -23.697 0.941   1.00 24.20 ? 28  TRP A CE2 1 
ATOM   222  C  CE3 . TRP A 1 28  ? 5.655   -22.741 0.480   1.00 24.69 ? 28  TRP A CE3 1 
ATOM   223  C  CZ2 . TRP A 1 28  ? 7.600   -23.699 2.323   1.00 25.81 ? 28  TRP A CZ2 1 
ATOM   224  C  CZ3 . TRP A 1 28  ? 5.424   -22.738 1.861   1.00 26.21 ? 28  TRP A CZ3 1 
ATOM   225  C  CH2 . TRP A 1 28  ? 6.392   -23.216 2.761   1.00 27.52 ? 28  TRP A CH2 1 
ATOM   226  N  N   . VAL A 1 29  ? 5.576   -23.786 -5.441  1.00 21.59 ? 29  VAL A N   1 
ATOM   227  C  CA  . VAL A 1 29  ? 4.905   -23.356 -6.663  1.00 22.49 ? 29  VAL A CA  1 
ATOM   228  C  C   . VAL A 1 29  ? 3.638   -24.176 -6.882  1.00 23.70 ? 29  VAL A C   1 
ATOM   229  O  O   . VAL A 1 29  ? 2.583   -23.642 -7.246  1.00 24.74 ? 29  VAL A O   1 
ATOM   230  C  CB  . VAL A 1 29  ? 5.880   -23.451 -7.858  1.00 22.81 ? 29  VAL A CB  1 
ATOM   231  C  CG1 . VAL A 1 29  ? 5.167   -23.202 -9.179  1.00 21.09 ? 29  VAL A CG1 1 
ATOM   232  C  CG2 . VAL A 1 29  ? 7.027   -22.479 -7.677  1.00 21.58 ? 29  VAL A CG2 1 
ATOM   233  N  N   . CYS A 1 30  ? 3.723   -25.487 -6.651  1.00 23.24 ? 30  CYS A N   1 
ATOM   234  C  CA  . CYS A 1 30  ? 2.569   -26.370 -6.768  1.00 22.55 ? 30  CYS A CA  1 
ATOM   235  C  C   . CYS A 1 30  ? 1.473   -25.971 -5.783  1.00 21.64 ? 30  CYS A C   1 
ATOM   236  O  O   . CYS A 1 30  ? 0.297   -25.865 -6.157  1.00 23.26 ? 30  CYS A O   1 
ATOM   237  C  CB  . CYS A 1 30  ? 3.023   -27.812 -6.530  1.00 21.68 ? 30  CYS A CB  1 
ATOM   238  S  SG  . CYS A 1 30  ? 1.758   -29.051 -6.726  1.00 23.78 ? 30  CYS A SG  1 
ATOM   239  N  N   . ALA A 1 31  ? 1.855   -25.734 -4.519  1.00 22.31 ? 31  ALA A N   1 
ATOM   240  C  CA  . ALA A 1 31  ? 0.914   -25.246 -3.510  1.00 22.72 ? 31  ALA A CA  1 
ATOM   241  C  C   . ALA A 1 31  ? 0.202   -23.988 -3.978  1.00 21.25 ? 31  ALA A C   1 
ATOM   242  O  O   . ALA A 1 31  ? -1.024  -23.902 -3.915  1.00 22.94 ? 31  ALA A O   1 
ATOM   243  C  CB  . ALA A 1 31  ? 1.639   -24.977 -2.195  1.00 21.16 ? 31  ALA A CB  1 
ATOM   244  N  N   . ALA A 1 32  ? 0.959   -22.988 -4.441  1.00 21.26 ? 32  ALA A N   1 
ATOM   245  C  CA  . ALA A 1 32  ? 0.330   -21.748 -4.891  1.00 20.98 ? 32  ALA A CA  1 
ATOM   246  C  C   . ALA A 1 32  ? -0.594  -21.980 -6.081  1.00 23.33 ? 32  ALA A C   1 
ATOM   247  O  O   . ALA A 1 32  ? -1.668  -21.362 -6.181  1.00 24.36 ? 32  ALA A O   1 
ATOM   248  C  CB  . ALA A 1 32  ? 1.397   -20.708 -5.241  1.00 22.93 ? 32  ALA A CB  1 
ATOM   249  N  N   . LYS A 1 33  ? -0.203  -22.860 -7.006  1.00 22.83 ? 33  LYS A N   1 
ATOM   250  C  CA  . LYS A 1 33  ? -1.050  -23.113 -8.160  1.00 23.10 ? 33  LYS A CA  1 
ATOM   251  C  C   . LYS A 1 33  ? -2.428  -23.592 -7.727  1.00 24.37 ? 33  LYS A C   1 
ATOM   252  O  O   . LYS A 1 33  ? -3.453  -23.033 -8.131  1.00 23.48 ? 33  LYS A O   1 
ATOM   253  C  CB  . LYS A 1 33  ? -0.387  -24.145 -9.062  1.00 24.23 ? 33  LYS A CB  1 
ATOM   254  C  CG  . LYS A 1 33  ? -1.310  -24.666 -10.124 1.00 25.41 ? 33  LYS A CG  1 
ATOM   255  C  CD  . LYS A 1 33  ? -1.620  -23.603 -11.167 1.00 32.09 ? 33  LYS A CD  1 
ATOM   256  C  CE  . LYS A 1 33  ? -2.521  -24.165 -12.274 1.00 31.42 ? 33  LYS A CE  1 
ATOM   257  N  NZ  . LYS A 1 33  ? -2.874  -23.125 -13.285 1.00 35.58 ? 33  LYS A NZ  1 
ATOM   258  N  N   . PHE A 1 34  ? -2.472  -24.609 -6.872  1.00 23.79 ? 34  PHE A N   1 
ATOM   259  C  CA  . PHE A 1 34  ? -3.752  -25.200 -6.522  1.00 21.23 ? 34  PHE A CA  1 
ATOM   260  C  C   . PHE A 1 34  ? -4.450  -24.473 -5.379  1.00 24.37 ? 34  PHE A C   1 
ATOM   261  O  O   . PHE A 1 34  ? -5.658  -24.660 -5.185  1.00 27.25 ? 34  PHE A O   1 
ATOM   262  C  CB  . PHE A 1 34  ? -3.560  -26.683 -6.201  1.00 22.60 ? 34  PHE A CB  1 
ATOM   263  C  CG  . PHE A 1 34  ? -3.102  -27.482 -7.379  1.00 24.43 ? 34  PHE A CG  1 
ATOM   264  C  CD1 . PHE A 1 34  ? -3.802  -27.437 -8.568  1.00 24.27 ? 34  PHE A CD1 1 
ATOM   265  C  CD2 . PHE A 1 34  ? -1.982  -28.293 -7.289  1.00 25.12 ? 34  PHE A CD2 1 
ATOM   266  C  CE1 . PHE A 1 34  ? -3.384  -28.193 -9.668  1.00 26.65 ? 34  PHE A CE1 1 
ATOM   267  C  CE2 . PHE A 1 34  ? -1.560  -29.059 -8.383  1.00 31.22 ? 34  PHE A CE2 1 
ATOM   268  C  CZ  . PHE A 1 34  ? -2.260  -29.010 -9.563  1.00 29.15 ? 34  PHE A CZ  1 
ATOM   269  N  N   . GLU A 1 35  ? -3.743  -23.621 -4.643  1.00 23.79 ? 35  GLU A N   1 
ATOM   270  C  CA  . GLU A 1 35  ? -4.433  -22.826 -3.635  1.00 23.94 ? 35  GLU A CA  1 
ATOM   271  C  C   . GLU A 1 35  ? -5.124  -21.615 -4.252  1.00 24.79 ? 35  GLU A C   1 
ATOM   272  O  O   . GLU A 1 35  ? -6.266  -21.295 -3.901  1.00 23.58 ? 35  GLU A O   1 
ATOM   273  C  CB  . GLU A 1 35  ? -3.440  -22.383 -2.566  1.00 23.91 ? 35  GLU A CB  1 
ATOM   274  C  CG  . GLU A 1 35  ? -2.964  -23.510 -1.649  1.00 23.09 ? 35  GLU A CG  1 
ATOM   275  C  CD  . GLU A 1 35  ? -4.035  -23.968 -0.667  1.00 24.02 ? 35  GLU A CD  1 
ATOM   276  O  OE1 . GLU A 1 35  ? -5.133  -23.382 -0.651  1.00 25.15 ? 35  GLU A OE1 1 
ATOM   277  O  OE2 . GLU A 1 35  ? -3.783  -24.948 0.057   1.00 25.47 ? 35  GLU A OE2 1 
ATOM   278  N  N   . SER A 1 36  ? -4.434  -20.922 -5.157  1.00 22.67 ? 36  SER A N   1 
ATOM   279  C  CA  . SER A 1 36  ? -4.831  -19.603 -5.618  1.00 24.98 ? 36  SER A CA  1 
ATOM   280  C  C   . SER A 1 36  ? -4.790  -19.428 -7.122  1.00 25.88 ? 36  SER A C   1 
ATOM   281  O  O   . SER A 1 36  ? -5.150  -18.345 -7.598  1.00 23.47 ? 36  SER A O   1 
ATOM   282  C  CB  . SER A 1 36  ? -3.912  -18.539 -4.997  1.00 25.14 ? 36  SER A CB  1 
ATOM   283  O  OG  . SER A 1 36  ? -2.606  -18.606 -5.565  1.00 22.98 ? 36  SER A OG  1 
ATOM   284  N  N   . ASN A 1 37  ? -4.316  -20.418 -7.873  1.00 26.41 ? 37  ASN A N   1 
ATOM   285  C  CA  . ASN A 1 37  ? -4.053  -20.272 -9.302  1.00 27.40 ? 37  ASN A CA  1 
ATOM   286  C  C   . ASN A 1 37  ? -3.113  -19.101 -9.575  1.00 25.96 ? 37  ASN A C   1 
ATOM   287  O  O   . ASN A 1 37  ? -3.234  -18.422 -10.595 1.00 27.65 ? 37  ASN A O   1 
ATOM   288  C  CB  . ASN A 1 37  ? -5.357  -20.135 -10.096 1.00 31.52 ? 37  ASN A CB  1 
ATOM   289  C  CG  . ASN A 1 37  ? -5.204  -20.545 -11.548 1.00 31.94 ? 37  ASN A CG  1 
ATOM   290  O  OD1 . ASN A 1 37  ? -4.245  -21.223 -11.917 1.00 34.96 ? 37  ASN A OD1 1 
ATOM   291  N  ND2 . ASN A 1 37  ? -6.178  -20.167 -12.377 1.00 39.07 ? 37  ASN A ND2 1 
ATOM   292  N  N   . PHE A 1 38  ? -2.176  -18.856 -8.652  1.00 23.57 ? 38  PHE A N   1 
ATOM   293  C  CA  . PHE A 1 38  ? -1.129  -17.847 -8.778  1.00 24.98 ? 38  PHE A CA  1 
ATOM   294  C  C   . PHE A 1 38  ? -1.686  -16.427 -8.691  1.00 24.95 ? 38  PHE A C   1 
ATOM   295  O  O   . PHE A 1 38  ? -0.998  -15.462 -9.046  1.00 24.74 ? 38  PHE A O   1 
ATOM   296  C  CB  . PHE A 1 38  ? -0.318  -17.995 -10.078 1.00 26.59 ? 38  PHE A CB  1 
ATOM   297  C  CG  . PHE A 1 38  ? 0.392   -19.327 -10.256 1.00 25.87 ? 38  PHE A CG  1 
ATOM   298  C  CD1 . PHE A 1 38  ? 1.015   -19.977 -9.197  1.00 23.55 ? 38  PHE A CD1 1 
ATOM   299  C  CD2 . PHE A 1 38  ? 0.500   -19.880 -11.533 1.00 27.60 ? 38  PHE A CD2 1 
ATOM   300  C  CE1 . PHE A 1 38  ? 1.688   -21.189 -9.401  1.00 24.79 ? 38  PHE A CE1 1 
ATOM   301  C  CE2 . PHE A 1 38  ? 1.184   -21.078 -11.742 1.00 28.41 ? 38  PHE A CE2 1 
ATOM   302  C  CZ  . PHE A 1 38  ? 1.772   -21.729 -10.675 1.00 29.18 ? 38  PHE A CZ  1 
ATOM   303  N  N   . ASN A 1 39  ? -2.906  -16.277 -8.179  1.00 25.66 ? 39  ASN A N   1 
ATOM   304  C  CA  . ASN A 1 39  ? -3.575  -14.980 -8.081  1.00 23.35 ? 39  ASN A CA  1 
ATOM   305  C  C   . ASN A 1 39  ? -3.410  -14.393 -6.675  1.00 22.61 ? 39  ASN A C   1 
ATOM   306  O  O   . ASN A 1 39  ? -3.979  -14.914 -5.702  1.00 23.03 ? 39  ASN A O   1 
ATOM   307  C  CB  . ASN A 1 39  ? -5.044  -15.165 -8.452  1.00 22.68 ? 39  ASN A CB  1 
ATOM   308  C  CG  . ASN A 1 39  ? -5.800  -13.844 -8.557  1.00 22.62 ? 39  ASN A CG  1 
ATOM   309  O  OD1 . ASN A 1 39  ? -5.324  -12.806 -8.116  1.00 23.48 ? 39  ASN A OD1 1 
ATOM   310  N  ND2 . ASN A 1 39  ? -7.017  -13.909 -9.081  1.00 31.43 ? 39  ASN A ND2 1 
ATOM   311  N  N   . THR A 1 40  ? -2.646  -13.300 -6.564  1.00 22.47 ? 40  THR A N   1 
ATOM   312  C  CA  . THR A 1 40  ? -2.418  -12.731 -5.239  1.00 21.09 ? 40  THR A CA  1 
ATOM   313  C  C   . THR A 1 40  ? -3.708  -12.235 -4.590  1.00 23.47 ? 40  THR A C   1 
ATOM   314  O  O   . THR A 1 40  ? -3.742  -12.118 -3.370  1.00 25.73 ? 40  THR A O   1 
ATOM   315  C  CB  . THR A 1 40  ? -1.418  -11.572 -5.263  1.00 25.90 ? 40  THR A CB  1 
ATOM   316  O  OG1 . THR A 1 40  ? -1.956  -10.481 -6.020  1.00 25.97 ? 40  THR A OG1 1 
ATOM   317  C  CG2 . THR A 1 40  ? -0.089  -12.005 -5.874  1.00 26.10 ? 40  THR A CG2 1 
ATOM   318  N  N   . GLN A 1 41  ? -4.765  -11.963 -5.362  1.00 24.19 ? 41  GLN A N   1 
ATOM   319  C  CA  . GLN A 1 41  ? -5.998  -11.397 -4.807  1.00 24.47 ? 41  GLN A CA  1 
ATOM   320  C  C   . GLN A 1 41  ? -7.006  -12.444 -4.368  1.00 25.15 ? 41  GLN A C   1 
ATOM   321  O  O   . GLN A 1 41  ? -8.094  -12.072 -3.918  1.00 25.74 ? 41  GLN A O   1 
ATOM   322  C  CB  . GLN A 1 41  ? -6.666  -10.445 -5.819  1.00 24.78 ? 41  GLN A CB  1 
ATOM   323  C  CG  . GLN A 1 41  ? -5.788  -9.303  -6.284  1.00 26.85 ? 41  GLN A CG  1 
ATOM   324  C  CD  . GLN A 1 41  ? -6.594  -8.189  -6.889  1.00 28.99 ? 41  GLN A CD  1 
ATOM   325  O  OE1 . GLN A 1 41  ? -7.328  -7.493  -6.187  1.00 29.44 ? 41  GLN A OE1 1 
ATOM   326  N  NE2 . GLN A 1 41  ? -6.496  -8.031  -8.194  1.00 27.00 ? 41  GLN A NE2 1 
ATOM   327  N  N   . ALA A 1 42  ? -6.681  -13.734 -4.484  1.00 22.74 ? 42  ALA A N   1 
ATOM   328  C  CA  . ALA A 1 42  ? -7.643  -14.792 -4.205  1.00 22.28 ? 42  ALA A CA  1 
ATOM   329  C  C   . ALA A 1 42  ? -8.063  -14.793 -2.737  1.00 20.93 ? 42  ALA A C   1 
ATOM   330  O  O   . ALA A 1 42  ? -7.228  -14.661 -1.834  1.00 25.00 ? 42  ALA A O   1 
ATOM   331  C  CB  . ALA A 1 42  ? -7.054  -16.155 -4.579  1.00 23.56 ? 42  ALA A CB  1 
ATOM   332  N  N   . THR A 1 43  ? -9.373  -14.919 -2.510  1.00 24.12 ? 43  THR A N   1 
ATOM   333  C  CA  . THR A 1 43  ? -9.931  -15.052 -1.169  1.00 23.16 ? 43  THR A CA  1 
ATOM   334  C  C   . THR A 1 43  ? -11.001 -16.131 -1.210  1.00 26.10 ? 43  THR A C   1 
ATOM   335  O  O   . THR A 1 43  ? -11.698 -16.298 -2.214  1.00 27.28 ? 43  THR A O   1 
ATOM   336  C  CB  . THR A 1 43  ? -10.555 -13.742 -0.633  1.00 26.87 ? 43  THR A CB  1 
ATOM   337  O  OG1 . THR A 1 43  ? -11.647 -13.334 -1.478  1.00 27.09 ? 43  THR A OG1 1 
ATOM   338  C  CG2 . THR A 1 43  ? -9.530  -12.629 -0.509  1.00 26.36 ? 43  THR A CG2 1 
ATOM   339  N  N   . ASN A 1 44  ? -11.140 -16.858 -0.105  1.00 24.05 ? 44  ASN A N   1 
ATOM   340  C  CA  . ASN A 1 44  ? -12.130 -17.923 -0.027  1.00 25.77 ? 44  ASN A CA  1 
ATOM   341  C  C   . ASN A 1 44  ? -12.608 -18.081 1.412   1.00 24.88 ? 44  ASN A C   1 
ATOM   342  O  O   . ASN A 1 44  ? -11.790 -18.216 2.327   1.00 23.89 ? 44  ASN A O   1 
ATOM   343  C  CB  . ASN A 1 44  ? -11.536 -19.239 -0.553  1.00 27.71 ? 44  ASN A CB  1 
ATOM   344  C  CG  . ASN A 1 44  ? -11.404 -19.243 -2.077  1.00 29.36 ? 44  ASN A CG  1 
ATOM   345  O  OD1 . ASN A 1 44  ? -12.395 -19.372 -2.811  1.00 31.75 ? 44  ASN A OD1 1 
ATOM   346  N  ND2 . ASN A 1 44  ? -10.176 -19.037 -2.559  1.00 31.34 ? 44  ASN A ND2 1 
ATOM   347  N  N   . ARG A 1 45  ? -13.926 -18.067 1.599   1.00 26.11 ? 45  ARG A N   1 
ATOM   348  C  CA  . ARG A 1 45  ? -14.513 -18.217 2.921   1.00 24.16 ? 45  ARG A CA  1 
ATOM   349  C  C   . ARG A 1 45  ? -14.562 -19.685 3.320   1.00 29.37 ? 45  ARG A C   1 
ATOM   350  O  O   . ARG A 1 45  ? -14.904 -20.548 2.504   1.00 30.44 ? 45  ARG A O   1 
ATOM   351  C  CB  . ARG A 1 45  ? -15.926 -17.646 2.935   1.00 27.47 ? 45  ARG A CB  1 
ATOM   352  C  CG  . ARG A 1 45  ? -16.408 -17.358 4.327   1.00 31.02 ? 45  ARG A CG  1 
ATOM   353  C  CD  . ARG A 1 45  ? -16.022 -15.963 4.674   1.00 33.00 ? 45  ARG A CD  1 
ATOM   354  N  NE  . ARG A 1 45  ? -16.263 -15.660 6.076   1.00 37.09 ? 45  ARG A NE  1 
ATOM   355  C  CZ  . ARG A 1 45  ? -17.109 -14.727 6.482   1.00 32.10 ? 45  ARG A CZ  1 
ATOM   356  N  NH1 . ARG A 1 45  ? -17.816 -14.015 5.616   1.00 34.38 ? 45  ARG A NH1 1 
ATOM   357  N  NH2 . ARG A 1 45  ? -17.241 -14.494 7.784   1.00 35.92 ? 45  ARG A NH2 1 
ATOM   358  N  N   . ASN A 1 46  ? -14.287 -19.958 4.598   1.00 23.69 ? 46  ASN A N   1 
ATOM   359  C  CA  . ASN A 1 46  ? -14.385 -21.308 5.138   1.00 27.43 ? 46  ASN A CA  1 
ATOM   360  C  C   . ASN A 1 46  ? -15.645 -21.441 5.990   1.00 29.26 ? 46  ASN A C   1 
ATOM   361  O  O   . ASN A 1 46  ? -16.210 -20.450 6.467   1.00 31.44 ? 46  ASN A O   1 
ATOM   362  C  CB  . ASN A 1 46  ? -13.157 -21.637 5.987   1.00 29.79 ? 46  ASN A CB  1 
ATOM   363  C  CG  . ASN A 1 46  ? -11.858 -21.454 5.237   1.00 29.89 ? 46  ASN A CG  1 
ATOM   364  O  OD1 . ASN A 1 46  ? -10.936 -20.813 5.741   1.00 34.07 ? 46  ASN A OD1 1 
ATOM   365  N  ND2 . ASN A 1 46  ? -11.768 -22.024 4.050   1.00 33.03 ? 46  ASN A ND2 1 
ATOM   366  N  N   . THR A 1 47  ? -16.067 -22.693 6.198   1.00 33.23 ? 47  THR A N   1 
ATOM   367  C  CA  . THR A 1 47  ? -17.288 -22.949 6.966   1.00 34.71 ? 47  THR A CA  1 
ATOM   368  C  C   . THR A 1 47  ? -17.207 -22.409 8.391   1.00 35.06 ? 47  THR A C   1 
ATOM   369  O  O   . THR A 1 47  ? -18.235 -22.019 8.956   1.00 38.57 ? 47  THR A O   1 
ATOM   370  C  CB  . THR A 1 47  ? -17.600 -24.451 7.005   1.00 37.43 ? 47  THR A CB  1 
ATOM   371  O  OG1 . THR A 1 47  ? -16.511 -25.154 7.623   1.00 36.78 ? 47  THR A OG1 1 
ATOM   372  C  CG2 . THR A 1 47  ? -17.843 -24.995 5.619   1.00 34.05 ? 47  THR A CG2 1 
ATOM   373  N  N   . ASP A 1 48  ? -16.014 -22.370 8.995   1.00 33.11 ? 48  ASP A N   1 
ATOM   374  C  CA  . ASP A 1 48  ? -15.922 -21.906 10.377  1.00 30.66 ? 48  ASP A CA  1 
ATOM   375  C  C   . ASP A 1 48  ? -16.006 -20.392 10.506  1.00 34.04 ? 48  ASP A C   1 
ATOM   376  O  O   . ASP A 1 48  ? -15.904 -19.876 11.626  1.00 37.70 ? 48  ASP A O   1 
ATOM   377  C  CB  . ASP A 1 48  ? -14.637 -22.416 11.050  1.00 36.33 ? 48  ASP A CB  1 
ATOM   378  C  CG  . ASP A 1 48  ? -13.370 -21.846 10.436  1.00 36.05 ? 48  ASP A CG  1 
ATOM   379  O  OD1 . ASP A 1 48  ? -13.445 -21.077 9.455   1.00 31.67 ? 48  ASP A OD1 1 
ATOM   380  O  OD2 . ASP A 1 48  ? -12.276 -22.162 10.954  1.00 36.58 ? 48  ASP A OD2 1 
ATOM   381  N  N   . GLY A 1 49  ? -16.191 -19.672 9.401   1.00 27.14 ? 49  GLY A N   1 
ATOM   382  C  CA  . GLY A 1 49  ? -16.234 -18.228 9.415   1.00 32.89 ? 49  GLY A CA  1 
ATOM   383  C  C   . GLY A 1 49  ? -14.913 -17.562 9.104   1.00 29.06 ? 49  GLY A C   1 
ATOM   384  O  O   . GLY A 1 49  ? -14.884 -16.344 8.899   1.00 31.15 ? 49  GLY A O   1 
ATOM   385  N  N   . SER A 1 50  ? -13.817 -18.316 9.090   1.00 28.37 ? 50  SER A N   1 
ATOM   386  C  CA  . SER A 1 50  ? -12.547 -17.738 8.706   1.00 26.69 ? 50  SER A CA  1 
ATOM   387  C  C   . SER A 1 50  ? -12.491 -17.582 7.185   1.00 24.93 ? 50  SER A C   1 
ATOM   388  O  O   . SER A 1 50  ? -13.358 -18.063 6.447   1.00 24.66 ? 50  SER A O   1 
ATOM   389  C  CB  . SER A 1 50  ? -11.393 -18.609 9.190   1.00 26.88 ? 50  SER A CB  1 
ATOM   390  O  OG  . SER A 1 50  ? -11.439 -19.846 8.529   1.00 25.91 ? 50  SER A OG  1 
ATOM   391  N  N   . THR A 1 51  ? -11.450 -16.898 6.718   1.00 22.35 ? 51  THR A N   1 
ATOM   392  C  CA  . THR A 1 51  ? -11.219 -16.675 5.297   1.00 21.54 ? 51  THR A CA  1 
ATOM   393  C  C   . THR A 1 51  ? -9.748  -16.947 4.992   1.00 22.04 ? 51  THR A C   1 
ATOM   394  O  O   . THR A 1 51  ? -8.877  -16.712 5.832   1.00 23.22 ? 51  THR A O   1 
ATOM   395  C  CB  . THR A 1 51  ? -11.622 -15.223 4.906   1.00 25.10 ? 51  THR A CB  1 
ATOM   396  O  OG1 . THR A 1 51  ? -13.002 -15.023 5.230   1.00 24.10 ? 51  THR A OG1 1 
ATOM   397  C  CG2 . THR A 1 51  ? -11.419 -14.948 3.415   1.00 23.42 ? 51  THR A CG2 1 
ATOM   398  N  N   . ASP A 1 52  ? -9.485  -17.480 3.797   1.00 24.21 ? 52  ASP A N   1 
ATOM   399  C  CA  . ASP A 1 52  ? -8.136  -17.740 3.294   1.00 25.21 ? 52  ASP A CA  1 
ATOM   400  C  C   . ASP A 1 52  ? -7.757  -16.639 2.313   1.00 25.01 ? 52  ASP A C   1 
ATOM   401  O  O   . ASP A 1 52  ? -8.553  -16.301 1.431   1.00 23.16 ? 52  ASP A O   1 
ATOM   402  C  CB  . ASP A 1 52  ? -8.066  -19.077 2.558   1.00 24.37 ? 52  ASP A CB  1 
ATOM   403  C  CG  . ASP A 1 52  ? -8.413  -20.246 3.438   1.00 28.59 ? 52  ASP A CG  1 
ATOM   404  O  OD1 . ASP A 1 52  ? -8.074  -20.192 4.632   1.00 29.04 ? 52  ASP A OD1 1 
ATOM   405  O  OD2 . ASP A 1 52  ? -9.003  -21.222 2.935   1.00 36.33 ? 52  ASP A OD2 1 
ATOM   406  N  N   . TYR A 1 53  ? -6.530  -16.131 2.419   1.00 24.30 ? 53  TYR A N   1 
ATOM   407  C  CA  . TYR A 1 53  ? -6.133  -14.950 1.663   1.00 21.01 ? 53  TYR A CA  1 
ATOM   408  C  C   . TYR A 1 53  ? -4.861  -15.176 0.860   1.00 25.03 ? 53  TYR A C   1 
ATOM   409  O  O   . TYR A 1 53  ? -3.846  -15.618 1.407   1.00 23.88 ? 53  TYR A O   1 
ATOM   410  C  CB  . TYR A 1 53  ? -5.899  -13.770 2.607   1.00 24.87 ? 53  TYR A CB  1 
ATOM   411  C  CG  . TYR A 1 53  ? -7.127  -13.307 3.329   1.00 22.53 ? 53  TYR A CG  1 
ATOM   412  C  CD1 . TYR A 1 53  ? -7.511  -13.905 4.516   1.00 23.34 ? 53  TYR A CD1 1 
ATOM   413  C  CD2 . TYR A 1 53  ? -7.903  -12.263 2.829   1.00 21.77 ? 53  TYR A CD2 1 
ATOM   414  C  CE1 . TYR A 1 53  ? -8.647  -13.486 5.197   1.00 21.34 ? 53  TYR A CE1 1 
ATOM   415  C  CE2 . TYR A 1 53  ? -9.027  -11.830 3.499   1.00 21.07 ? 53  TYR A CE2 1 
ATOM   416  C  CZ  . TYR A 1 53  ? -9.401  -12.450 4.680   1.00 21.49 ? 53  TYR A CZ  1 
ATOM   417  O  OH  . TYR A 1 53  ? -10.538 -12.033 5.348   1.00 22.22 ? 53  TYR A OH  1 
ATOM   418  N  N   . GLY A 1 54  ? -4.901  -14.804 -0.413  1.00 22.20 ? 54  GLY A N   1 
ATOM   419  C  CA  . GLY A 1 54  ? -3.690  -14.576 -1.171  1.00 21.63 ? 54  GLY A CA  1 
ATOM   420  C  C   . GLY A 1 54  ? -3.148  -15.808 -1.872  1.00 22.44 ? 54  GLY A C   1 
ATOM   421  O  O   . GLY A 1 54  ? -3.784  -16.853 -2.014  1.00 23.77 ? 54  GLY A O   1 
ATOM   422  N  N   . ILE A 1 55  ? -1.912  -15.623 -2.342  1.00 24.30 ? 55  ILE A N   1 
ATOM   423  C  CA  . ILE A 1 55  ? -1.229  -16.576 -3.207  1.00 26.52 ? 55  ILE A CA  1 
ATOM   424  C  C   . ILE A 1 55  ? -1.131  -17.946 -2.547  1.00 25.53 ? 55  ILE A C   1 
ATOM   425  O  O   . ILE A 1 55  ? -1.191  -18.976 -3.227  1.00 26.68 ? 55  ILE A O   1 
ATOM   426  C  CB  . ILE A 1 55  ? 0.159   -15.991 -3.575  1.00 31.66 ? 55  ILE A CB  1 
ATOM   427  C  CG1 . ILE A 1 55  ? 0.828   -16.797 -4.670  1.00 35.64 ? 55  ILE A CG1 1 
ATOM   428  C  CG2 . ILE A 1 55  ? 1.062   -15.839 -2.374  1.00 29.97 ? 55  ILE A CG2 1 
ATOM   429  C  CD1 . ILE A 1 55  ? 0.142   -16.620 -5.917  1.00 32.08 ? 55  ILE A CD1 1 
ATOM   430  N  N   . LEU A 1 56  ? -1.013  -17.984 -1.214  1.00 25.31 ? 56  LEU A N   1 
ATOM   431  C  CA  . LEU A 1 56  ? -0.907  -19.238 -0.479  1.00 25.85 ? 56  LEU A CA  1 
ATOM   432  C  C   . LEU A 1 56  ? -2.078  -19.460 0.480   1.00 26.63 ? 56  LEU A C   1 
ATOM   433  O  O   . LEU A 1 56  ? -2.009  -20.338 1.351   1.00 23.66 ? 56  LEU A O   1 
ATOM   434  C  CB  . LEU A 1 56  ? 0.418   -19.301 0.267   1.00 24.24 ? 56  LEU A CB  1 
ATOM   435  C  CG  . LEU A 1 56  ? 1.616   -19.608 -0.634  1.00 23.88 ? 56  LEU A CG  1 
ATOM   436  C  CD1 . LEU A 1 56  ? 2.924   -19.293 0.096   1.00 26.73 ? 56  LEU A CD1 1 
ATOM   437  C  CD2 . LEU A 1 56  ? 1.560   -21.063 -1.133  1.00 22.69 ? 56  LEU A CD2 1 
ATOM   438  N  N   . GLN A 1 57  ? -3.174  -18.726 0.291   1.00 23.04 ? 57  GLN A N   1 
ATOM   439  C  CA  . GLN A 1 57  ? -4.455  -19.000 0.952   1.00 21.95 ? 57  GLN A CA  1 
ATOM   440  C  C   . GLN A 1 57  ? -4.281  -19.146 2.461   1.00 21.81 ? 57  GLN A C   1 
ATOM   441  O  O   . GLN A 1 57  ? -4.680  -20.145 3.075   1.00 26.40 ? 57  GLN A O   1 
ATOM   442  C  CB  . GLN A 1 57  ? -5.133  -20.220 0.335   1.00 22.56 ? 57  GLN A CB  1 
ATOM   443  C  CG  . GLN A 1 57  ? -5.725  -19.927 -1.058  1.00 22.59 ? 57  GLN A CG  1 
ATOM   444  C  CD  . GLN A 1 57  ? -6.873  -18.902 -1.007  1.00 23.73 ? 57  GLN A CD  1 
ATOM   445  O  OE1 . GLN A 1 57  ? -8.029  -19.240 -0.709  1.00 24.45 ? 57  GLN A OE1 1 
ATOM   446  N  NE2 . GLN A 1 57  ? -6.551  -17.646 -1.318  1.00 22.40 ? 57  GLN A NE2 1 
ATOM   447  N  N   . ILE A 1 58  ? -3.683  -18.121 3.049   1.00 21.56 ? 58  ILE A N   1 
ATOM   448  C  CA  . ILE A 1 58  ? -3.358  -18.124 4.472   1.00 25.46 ? 58  ILE A CA  1 
ATOM   449  C  C   . ILE A 1 58  ? -4.604  -17.748 5.273   1.00 24.85 ? 58  ILE A C   1 
ATOM   450  O  O   . ILE A 1 58  ? -5.321  -16.792 4.941   1.00 24.08 ? 58  ILE A O   1 
ATOM   451  C  CB  . ILE A 1 58  ? -2.177  -17.182 4.744   1.00 21.06 ? 58  ILE A CB  1 
ATOM   452  C  CG1 . ILE A 1 58  ? -0.888  -17.770 4.136   1.00 23.71 ? 58  ILE A CG1 1 
ATOM   453  C  CG2 . ILE A 1 58  ? -1.969  -16.965 6.229   1.00 25.17 ? 58  ILE A CG2 1 
ATOM   454  C  CD1 . ILE A 1 58  ? 0.313   -16.879 4.206   1.00 29.45 ? 58  ILE A CD1 1 
ATOM   455  N  N   . ASN A 1 59  ? -4.876  -18.515 6.331   1.00 23.51 ? 59  ASN A N   1 
ATOM   456  C  CA  . ASN A 1 59  ? -6.180  -18.509 6.982   1.00 25.10 ? 59  ASN A CA  1 
ATOM   457  C  C   . ASN A 1 59  ? -6.250  -17.538 8.162   1.00 27.65 ? 59  ASN A C   1 
ATOM   458  O  O   . ASN A 1 59  ? -5.321  -17.443 8.970   1.00 28.09 ? 59  ASN A O   1 
ATOM   459  C  CB  . ASN A 1 59  ? -6.507  -19.923 7.457   1.00 27.93 ? 59  ASN A CB  1 
ATOM   460  C  CG  . ASN A 1 59  ? -7.790  -19.977 8.176   1.00 30.93 ? 59  ASN A CG  1 
ATOM   461  O  OD1 . ASN A 1 59  ? -7.807  -19.975 9.400   1.00 35.68 ? 59  ASN A OD1 1 
ATOM   462  N  ND2 . ASN A 1 59  ? -8.879  -20.050 7.441   1.00 33.28 ? 59  ASN A ND2 1 
ATOM   463  N  N   . SER A 1 60  ? -7.393  -16.846 8.279   1.00 25.35 ? 60  SER A N   1 
ATOM   464  C  CA  . SER A 1 60  ? -7.609  -15.840 9.310   1.00 24.53 ? 60  SER A CA  1 
ATOM   465  C  C   . SER A 1 60  ? -7.880  -16.425 10.696  1.00 27.00 ? 60  SER A C   1 
ATOM   466  O  O   . SER A 1 60  ? -7.859  -15.665 11.669  1.00 32.28 ? 60  SER A O   1 
ATOM   467  C  CB  . SER A 1 60  ? -8.767  -14.922 8.898   1.00 25.07 ? 60  SER A CB  1 
ATOM   468  O  OG  . SER A 1 60  ? -9.983  -15.631 8.860   1.00 24.43 ? 60  SER A OG  1 
ATOM   469  N  N   . ARG A 1 61  ? -8.126  -17.732 10.824  1.00 25.42 ? 61  ARG A N   1 
ATOM   470  C  CA  . ARG A 1 61  ? -8.334  -18.265 12.173  1.00 29.44 ? 61  ARG A CA  1 
ATOM   471  C  C   . ARG A 1 61  ? -7.041  -18.276 12.975  1.00 31.93 ? 61  ARG A C   1 
ATOM   472  O  O   . ARG A 1 61  ? -7.081  -18.127 14.197  1.00 32.38 ? 61  ARG A O   1 
ATOM   473  C  CB  . ARG A 1 61  ? -8.952  -19.667 12.140  1.00 30.58 ? 61  ARG A CB  1 
ATOM   474  C  CG  . ARG A 1 61  ? -9.146  -20.244 13.563  1.00 34.88 ? 61  ARG A CG  1 
ATOM   475  C  CD  . ARG A 1 61  ? -10.379 -21.107 13.751  1.00 38.68 ? 61  ARG A CD  1 
ATOM   476  N  NE  . ARG A 1 61  ? -11.576 -20.555 13.127  1.00 43.86 ? 61  ARG A NE  1 
ATOM   477  C  CZ  . ARG A 1 61  ? -12.424 -19.725 13.721  1.00 44.26 ? 61  ARG A CZ  1 
ATOM   478  N  NH1 . ARG A 1 61  ? -12.216 -19.280 14.952  1.00 46.57 ? 61  ARG A NH1 1 
ATOM   479  N  NH2 . ARG A 1 61  ? -13.509 -19.327 13.063  1.00 40.18 ? 61  ARG A NH2 1 
ATOM   480  N  N   . TRP A 1 62  ? -5.882  -18.406 12.313  1.00 26.71 ? 62  TRP A N   1 
ATOM   481  C  CA  . TRP A 1 62  ? -4.620  -18.467 13.032  1.00 30.24 ? 62  TRP A CA  1 
ATOM   482  C  C   . TRP A 1 62  ? -3.634  -17.369 12.689  1.00 26.85 ? 62  TRP A C   1 
ATOM   483  O  O   . TRP A 1 62  ? -2.905  -16.934 13.574  1.00 29.58 ? 62  TRP A O   1 
ATOM   484  C  CB  . TRP A 1 62  ? -3.903  -19.814 12.809  1.00 28.11 ? 62  TRP A CB  1 
ATOM   485  C  CG  . TRP A 1 62  ? -4.758  -20.988 13.079  1.00 31.29 ? 62  TRP A CG  1 
ATOM   486  C  CD1 . TRP A 1 62  ? -5.628  -21.595 12.226  1.00 33.43 ? 62  TRP A CD1 1 
ATOM   487  C  CD2 . TRP A 1 62  ? -4.894  -21.651 14.335  1.00 36.79 ? 62  TRP A CD2 1 
ATOM   488  N  NE1 . TRP A 1 62  ? -6.260  -22.639 12.863  1.00 36.86 ? 62  TRP A NE1 1 
ATOM   489  C  CE2 . TRP A 1 62  ? -5.838  -22.680 14.166  1.00 35.34 ? 62  TRP A CE2 1 
ATOM   490  C  CE3 . TRP A 1 62  ? -4.303  -21.474 15.590  1.00 42.97 ? 62  TRP A CE3 1 
ATOM   491  C  CZ2 . TRP A 1 62  ? -6.194  -23.541 15.200  1.00 42.55 ? 62  TRP A CZ2 1 
ATOM   492  C  CZ3 . TRP A 1 62  ? -4.656  -22.330 16.615  1.00 41.94 ? 62  TRP A CZ3 1 
ATOM   493  C  CH2 . TRP A 1 62  ? -5.596  -23.347 16.415  1.00 43.28 ? 62  TRP A CH2 1 
ATOM   494  N  N   . TRP A 1 63  ? -3.575  -16.909 11.438  1.00 24.07 ? 63  TRP A N   1 
ATOM   495  C  CA  . TRP A 1 63  ? -2.360  -16.269 10.955  1.00 25.80 ? 63  TRP A CA  1 
ATOM   496  C  C   . TRP A 1 63  ? -2.468  -14.779 10.702  1.00 27.36 ? 63  TRP A C   1 
ATOM   497  O  O   . TRP A 1 63  ? -1.457  -14.079 10.798  1.00 26.96 ? 63  TRP A O   1 
ATOM   498  C  CB  . TRP A 1 63  ? -1.889  -16.959 9.674   1.00 24.95 ? 63  TRP A CB  1 
ATOM   499  C  CG  . TRP A 1 63  ? -1.738  -18.446 9.885   1.00 24.20 ? 63  TRP A CG  1 
ATOM   500  C  CD1 . TRP A 1 63  ? -2.516  -19.432 9.370   1.00 25.13 ? 63  TRP A CD1 1 
ATOM   501  C  CD2 . TRP A 1 63  ? -0.783  -19.083 10.737  1.00 26.27 ? 63  TRP A CD2 1 
ATOM   502  N  NE1 . TRP A 1 63  ? -2.072  -20.671 9.816   1.00 27.21 ? 63  TRP A NE1 1 
ATOM   503  C  CE2 . TRP A 1 63  ? -1.012  -20.474 10.656  1.00 27.34 ? 63  TRP A CE2 1 
ATOM   504  C  CE3 . TRP A 1 63  ? 0.269   -18.616 11.525  1.00 28.23 ? 63  TRP A CE3 1 
ATOM   505  C  CZ2 . TRP A 1 63  ? -0.232  -21.399 11.349  1.00 28.79 ? 63  TRP A CZ2 1 
ATOM   506  C  CZ3 . TRP A 1 63  ? 1.041   -19.542 12.215  1.00 30.08 ? 63  TRP A CZ3 1 
ATOM   507  C  CH2 . TRP A 1 63  ? 0.771   -20.908 12.126  1.00 30.66 ? 63  TRP A CH2 1 
ATOM   508  N  N   . CYS A 1 64  ? -3.654  -14.270 10.386  1.00 27.84 ? 64  CYS A N   1 
ATOM   509  C  CA  . CYS A 1 64  ? -3.785  -12.857 10.069  1.00 28.40 ? 64  CYS A CA  1 
ATOM   510  C  C   . CYS A 1 64  ? -5.114  -12.348 10.600  1.00 23.94 ? 64  CYS A C   1 
ATOM   511  O  O   . CYS A 1 64  ? -6.040  -13.118 10.854  1.00 27.76 ? 64  CYS A O   1 
ATOM   512  C  CB  . CYS A 1 64  ? -3.675  -12.591 8.558   1.00 25.43 ? 64  CYS A CB  1 
ATOM   513  S  SG  . CYS A 1 64  ? -4.948  -13.357 7.550   1.00 26.39 ? 64  CYS A SG  1 
ATOM   514  N  N   . ASN A 1 65  ? -5.212  -11.026 10.761  1.00 26.69 ? 65  ASN A N   1 
ATOM   515  C  CA  . ASN A 1 65  ? -6.437  -10.434 11.263  1.00 28.10 ? 65  ASN A CA  1 
ATOM   516  C  C   . ASN A 1 65  ? -7.239  -9.829  10.120  1.00 23.58 ? 65  ASN A C   1 
ATOM   517  O  O   . ASN A 1 65  ? -6.729  -8.998  9.357   1.00 25.48 ? 65  ASN A O   1 
ATOM   518  C  CB  . ASN A 1 65  ? -6.157  -9.373  12.324  1.00 29.74 ? 65  ASN A CB  1 
ATOM   519  C  CG  . ASN A 1 65  ? -7.409  -8.652  12.724  1.00 29.48 ? 65  ASN A CG  1 
ATOM   520  O  OD1 . ASN A 1 65  ? -8.316  -9.257  13.310  1.00 31.40 ? 65  ASN A OD1 1 
ATOM   521  N  ND2 . ASN A 1 65  ? -7.491  -7.365  12.395  1.00 35.75 ? 65  ASN A ND2 1 
ATOM   522  N  N   . ASP A 1 66  ? -8.492  -10.245 10.013  1.00 23.86 ? 66  ASP A N   1 
ATOM   523  C  CA  . ASP A 1 66  ? -9.422  -9.615  9.091   1.00 25.23 ? 66  ASP A CA  1 
ATOM   524  C  C   . ASP A 1 66  ? -10.598 -8.968  9.811   1.00 28.13 ? 66  ASP A C   1 
ATOM   525  O  O   . ASP A 1 66  ? -11.553 -8.550  9.155   1.00 27.70 ? 66  ASP A O   1 
ATOM   526  C  CB  . ASP A 1 66  ? -9.901  -10.617 8.021   1.00 24.67 ? 66  ASP A CB  1 
ATOM   527  C  CG  . ASP A 1 66  ? -10.738 -11.776 8.569   1.00 23.21 ? 66  ASP A CG  1 
ATOM   528  O  OD1 . ASP A 1 66  ? -11.089 -11.811 9.767   1.00 26.46 ? 66  ASP A OD1 1 
ATOM   529  O  OD2 . ASP A 1 66  ? -11.063 -12.684 7.753   1.00 23.51 ? 66  ASP A OD2 1 
ATOM   530  N  N   . GLY A 1 67  ? -10.550 -8.874  11.139  1.00 29.98 ? 67  GLY A N   1 
ATOM   531  C  CA  . GLY A 1 67  ? -11.594 -8.201  11.892  1.00 27.08 ? 67  GLY A CA  1 
ATOM   532  C  C   . GLY A 1 67  ? -12.932 -8.898  11.909  1.00 30.35 ? 67  GLY A C   1 
ATOM   533  O  O   . GLY A 1 67  ? -13.891 -8.343  12.456  1.00 34.06 ? 67  GLY A O   1 
ATOM   534  N  N   . ARG A 1 68  ? -13.043 -10.111 11.345  1.00 26.33 ? 68  ARG A N   1 
ATOM   535  C  CA  . ARG A 1 68  ? -14.344 -10.768 11.340  1.00 27.63 ? 68  ARG A CA  1 
ATOM   536  C  C   . ARG A 1 68  ? -14.280 -12.271 11.622  1.00 29.42 ? 68  ARG A C   1 
ATOM   537  O  O   . ARG A 1 68  ? -15.217 -12.995 11.270  1.00 33.12 ? 68  ARG A O   1 
ATOM   538  C  CB  . ARG A 1 68  ? -15.041 -10.525 9.999   1.00 28.70 ? 68  ARG A CB  1 
ATOM   539  C  CG  . ARG A 1 68  ? -14.376 -11.199 8.825   1.00 28.06 ? 68  ARG A CG  1 
ATOM   540  C  CD  . ARG A 1 68  ? -15.259 -11.120 7.629   1.00 29.79 ? 68  ARG A CD  1 
ATOM   541  N  NE  . ARG A 1 68  ? -14.860 -12.066 6.601   1.00 28.44 ? 68  ARG A NE  1 
ATOM   542  C  CZ  . ARG A 1 68  ? -15.278 -12.021 5.340   1.00 28.71 ? 68  ARG A CZ  1 
ATOM   543  N  NH1 . ARG A 1 68  ? -16.092 -11.068 4.917   1.00 29.24 ? 68  ARG A NH1 1 
ATOM   544  N  NH2 . ARG A 1 68  ? -14.885 -12.972 4.490   1.00 27.75 ? 68  ARG A NH2 1 
ATOM   545  N  N   . THR A 1 69  ? -13.222 -12.758 12.274  1.00 26.52 ? 69  THR A N   1 
ATOM   546  C  CA  . THR A 1 69  ? -13.064 -14.175 12.605  1.00 27.67 ? 69  THR A CA  1 
ATOM   547  C  C   . THR A 1 69  ? -12.994 -14.273 14.126  1.00 32.33 ? 69  THR A C   1 
ATOM   548  O  O   . THR A 1 69  ? -11.911 -14.147 14.715  1.00 32.72 ? 69  THR A O   1 
ATOM   549  C  CB  . THR A 1 69  ? -11.814 -14.748 11.934  1.00 30.89 ? 69  THR A CB  1 
ATOM   550  O  OG1 . THR A 1 69  ? -11.797 -14.349 10.553  1.00 26.96 ? 69  THR A OG1 1 
ATOM   551  C  CG2 . THR A 1 69  ? -11.815 -16.271 11.995  1.00 29.00 ? 69  THR A CG2 1 
ATOM   552  N  N   . PRO A 1 70  ? -14.125 -14.442 14.808  1.00 36.45 ? 70  PRO A N   1 
ATOM   553  C  CA  . PRO A 1 70  ? -14.104 -14.373 16.274  1.00 37.52 ? 70  PRO A CA  1 
ATOM   554  C  C   . PRO A 1 70  ? -13.205 -15.432 16.891  1.00 41.02 ? 70  PRO A C   1 
ATOM   555  O  O   . PRO A 1 70  ? -13.043 -16.535 16.361  1.00 43.90 ? 70  PRO A O   1 
ATOM   556  C  CB  . PRO A 1 70  ? -15.574 -14.583 16.657  1.00 38.25 ? 70  PRO A CB  1 
ATOM   557  C  CG  . PRO A 1 70  ? -16.319 -14.027 15.502  1.00 37.58 ? 70  PRO A CG  1 
ATOM   558  C  CD  . PRO A 1 70  ? -15.501 -14.435 14.285  1.00 38.39 ? 70  PRO A CD  1 
ATOM   559  N  N   . GLY A 1 71  ? -12.593 -15.064 18.017  1.00 39.71 ? 71  GLY A N   1 
ATOM   560  C  CA  . GLY A 1 71  ? -11.753 -15.985 18.757  1.00 42.80 ? 71  GLY A CA  1 
ATOM   561  C  C   . GLY A 1 71  ? -10.545 -16.466 17.993  1.00 42.94 ? 71  GLY A C   1 
ATOM   562  O  O   . GLY A 1 71  ? -9.980  -17.509 18.335  1.00 46.91 ? 71  GLY A O   1 
ATOM   563  N  N   . SER A 1 72  ? -10.142 -15.739 16.955  1.00 38.87 ? 72  SER A N   1 
ATOM   564  C  CA  . SER A 1 72  ? -9.011  -16.119 16.128  1.00 40.17 ? 72  SER A CA  1 
ATOM   565  C  C   . SER A 1 72  ? -7.716  -15.502 16.651  1.00 38.48 ? 72  SER A C   1 
ATOM   566  O  O   . SER A 1 72  ? -7.713  -14.621 17.512  1.00 38.05 ? 72  SER A O   1 
ATOM   567  C  CB  . SER A 1 72  ? -9.263  -15.705 14.679  1.00 36.36 ? 72  SER A CB  1 
ATOM   568  O  OG  . SER A 1 72  ? -9.050  -14.311 14.517  1.00 38.80 ? 72  SER A OG  1 
ATOM   569  N  N   . ARG A 1 73  ? -6.601  -15.997 16.124  1.00 35.89 ? 73  ARG A N   1 
ATOM   570  C  CA  . ARG A 1 73  ? -5.285  -15.431 16.373  1.00 36.18 ? 73  ARG A CA  1 
ATOM   571  C  C   . ARG A 1 73  ? -4.791  -14.714 15.121  1.00 36.80 ? 73  ARG A C   1 
ATOM   572  O  O   . ARG A 1 73  ? -5.392  -14.794 14.042  1.00 35.83 ? 73  ARG A O   1 
ATOM   573  C  CB  . ARG A 1 73  ? -4.287  -16.519 16.793  1.00 37.91 ? 73  ARG A CB  1 
ATOM   574  C  CG  . ARG A 1 73  ? -4.912  -17.649 17.583  1.00 39.40 ? 73  ARG A CG  1 
ATOM   575  C  CD  . ARG A 1 73  ? -4.988  -17.339 19.067  1.00 44.71 ? 73  ARG A CD  1 
ATOM   576  N  NE  . ARG A 1 73  ? -3.865  -16.549 19.559  1.00 48.18 ? 73  ARG A NE  1 
ATOM   577  C  CZ  . ARG A 1 73  ? -2.734  -17.066 20.023  1.00 51.52 ? 73  ARG A CZ  1 
ATOM   578  N  NH1 . ARG A 1 73  ? -2.534  -18.378 20.053  1.00 50.11 ? 73  ARG A NH1 1 
ATOM   579  N  NH2 . ARG A 1 73  ? -1.785  -16.249 20.479  1.00 51.70 ? 73  ARG A NH2 1 
ATOM   580  N  N   . ASN A 1 74  ? -3.677  -14.008 15.291  1.00 30.48 ? 74  ASN A N   1 
ATOM   581  C  CA  . ASN A 1 74  ? -3.028  -13.236 14.244  1.00 30.53 ? 74  ASN A CA  1 
ATOM   582  C  C   . ASN A 1 74  ? -1.526  -13.469 14.403  1.00 27.65 ? 74  ASN A C   1 
ATOM   583  O  O   . ASN A 1 74  ? -0.756  -12.565 14.701  1.00 31.18 ? 74  ASN A O   1 
ATOM   584  C  CB  . ASN A 1 74  ? -3.412  -11.758 14.357  1.00 31.29 ? 74  ASN A CB  1 
ATOM   585  C  CG  . ASN A 1 74  ? -2.703  -10.877 13.338  1.00 32.30 ? 74  ASN A CG  1 
ATOM   586  O  OD1 . ASN A 1 74  ? -2.089  -11.372 12.389  1.00 30.45 ? 74  ASN A OD1 1 
ATOM   587  N  ND2 . ASN A 1 74  ? -2.760  -9.564  13.548  1.00 32.57 ? 74  ASN A ND2 1 
ATOM   588  N  N   . LEU A 1 75  ? -1.110  -14.730 14.216  1.00 33.04 ? 75  LEU A N   1 
ATOM   589  C  CA  . LEU A 1 75  ? 0.248   -15.135 14.579  1.00 27.88 ? 75  LEU A CA  1 
ATOM   590  C  C   . LEU A 1 75  ? 1.314   -14.529 13.682  1.00 32.35 ? 75  LEU A C   1 
ATOM   591  O  O   . LEU A 1 75  ? 2.467   -14.413 14.112  1.00 34.51 ? 75  LEU A O   1 
ATOM   592  C  CB  . LEU A 1 75  ? 0.373   -16.664 14.593  1.00 29.25 ? 75  LEU A CB  1 
ATOM   593  C  CG  . LEU A 1 75  ? -0.494  -17.296 15.688  1.00 30.82 ? 75  LEU A CG  1 
ATOM   594  C  CD1 . LEU A 1 75  ? -0.561  -18.813 15.581  1.00 32.06 ? 75  LEU A CD1 1 
ATOM   595  C  CD2 . LEU A 1 75  ? -0.058  -16.854 17.079  1.00 39.86 ? 75  LEU A CD2 1 
ATOM   596  N  N   . CYS A 1 76  ? 0.966   -14.125 12.457  1.00 31.12 ? 76  CYS A N   1 
ATOM   597  C  CA  . CYS A 1 76  ? 1.910   -13.390 11.625  1.00 28.88 ? 76  CYS A CA  1 
ATOM   598  C  C   . CYS A 1 76  ? 1.864   -11.885 11.879  1.00 29.52 ? 76  CYS A C   1 
ATOM   599  O  O   . CYS A 1 76  ? 2.607   -11.147 11.238  1.00 29.54 ? 76  CYS A O   1 
ATOM   600  C  CB  . CYS A 1 76  ? 1.658   -13.695 10.135  1.00 28.78 ? 76  CYS A CB  1 
ATOM   601  S  SG  . CYS A 1 76  ? 1.953   -15.455 9.712   1.00 29.09 ? 76  CYS A SG  1 
ATOM   602  N  N   . ASN A 1 77  ? 1.011   -11.422 12.796  1.00 29.62 ? 77  ASN A N   1 
ATOM   603  C  CA  . ASN A 1 77  ? 0.913   -10.008 13.170  1.00 29.97 ? 77  ASN A CA  1 
ATOM   604  C  C   . ASN A 1 77  ? 0.745   -9.122  11.933  1.00 31.48 ? 77  ASN A C   1 
ATOM   605  O  O   . ASN A 1 77  ? 1.526   -8.201  11.663  1.00 31.62 ? 77  ASN A O   1 
ATOM   606  C  CB  A ASN A 1 77  ? 2.135   -9.578  13.989  0.51 33.09 ? 77  ASN A CB  1 
ATOM   607  C  CB  B ASN A 1 77  ? 2.122   -9.582  14.010  0.49 33.09 ? 77  ASN A CB  1 
ATOM   608  C  CG  A ASN A 1 77  ? 1.934   -8.243  14.683  0.51 32.61 ? 77  ASN A CG  1 
ATOM   609  C  CG  B ASN A 1 77  ? 2.246   -10.383 15.297  0.49 33.93 ? 77  ASN A CG  1 
ATOM   610  O  OD1 A ASN A 1 77  ? 0.824   -7.903  15.094  0.51 32.63 ? 77  ASN A OD1 1 
ATOM   611  O  OD1 B ASN A 1 77  ? 1.362   -10.339 16.149  0.49 36.22 ? 77  ASN A OD1 1 
ATOM   612  N  ND2 A ASN A 1 77  ? 3.012   -7.478  14.812  0.51 33.05 ? 77  ASN A ND2 1 
ATOM   613  N  ND2 B ASN A 1 77  ? 3.354   -11.104 15.451  0.49 32.47 ? 77  ASN A ND2 1 
ATOM   614  N  N   . ILE A 1 78  ? -0.313  -9.402  11.182  1.00 30.38 ? 78  ILE A N   1 
ATOM   615  C  CA  . ILE A 1 78  ? -0.483  -8.737  9.895   1.00 30.29 ? 78  ILE A CA  1 
ATOM   616  C  C   . ILE A 1 78  ? -1.966  -8.662  9.541   1.00 27.79 ? 78  ILE A C   1 
ATOM   617  O  O   . ILE A 1 78  ? -2.730  -9.590  9.854   1.00 28.34 ? 78  ILE A O   1 
ATOM   618  C  CB  . ILE A 1 78  ? 0.330   -9.473  8.815   1.00 31.04 ? 78  ILE A CB  1 
ATOM   619  C  CG1 . ILE A 1 78  ? 0.505   -8.621  7.571   1.00 37.13 ? 78  ILE A CG1 1 
ATOM   620  C  CG2 . ILE A 1 78  ? -0.280  -10.834 8.506   1.00 27.77 ? 78  ILE A CG2 1 
ATOM   621  C  CD1 . ILE A 1 78  ? 1.921   -8.631  7.056   1.00 38.70 ? 78  ILE A CD1 1 
ATOM   622  N  N   . PRO A 1 79  ? -2.428  -7.580  8.905   1.00 30.89 ? 79  PRO A N   1 
ATOM   623  C  CA  . PRO A 1 79  ? -3.793  -7.591  8.370   1.00 27.47 ? 79  PRO A CA  1 
ATOM   624  C  C   . PRO A 1 79  ? -3.877  -8.561  7.208   1.00 25.09 ? 79  PRO A C   1 
ATOM   625  O  O   . PRO A 1 79  ? -2.950  -8.668  6.400   1.00 26.35 ? 79  PRO A O   1 
ATOM   626  C  CB  . PRO A 1 79  ? -4.031  -6.141  7.918   1.00 25.42 ? 79  PRO A CB  1 
ATOM   627  C  CG  . PRO A 1 79  ? -2.781  -5.435  8.065   1.00 32.77 ? 79  PRO A CG  1 
ATOM   628  C  CD  . PRO A 1 79  ? -1.737  -6.300  8.694   1.00 27.77 ? 79  PRO A CD  1 
ATOM   629  N  N   . CYS A 1 80  ? -4.990  -9.288  7.132   1.00 24.27 ? 80  CYS A N   1 
ATOM   630  C  CA  . CYS A 1 80  ? -5.095  -10.276 6.063   1.00 23.20 ? 80  CYS A CA  1 
ATOM   631  C  C   . CYS A 1 80  ? -4.991  -9.622  4.696   1.00 25.76 ? 80  CYS A C   1 
ATOM   632  O  O   . CYS A 1 80  ? -4.543  -10.258 3.736   1.00 26.36 ? 80  CYS A O   1 
ATOM   633  C  CB  . CYS A 1 80  ? -6.400  -11.058 6.167   1.00 23.63 ? 80  CYS A CB  1 
ATOM   634  S  SG  . CYS A 1 80  ? -6.542  -12.070 7.649   1.00 24.38 ? 80  CYS A SG  1 
ATOM   635  N  N   . SER A 1 81  ? -5.424  -8.365  4.581   1.00 25.79 ? 81  SER A N   1 
ATOM   636  C  CA  . SER A 1 81  ? -5.342  -7.671  3.303   1.00 27.00 ? 81  SER A CA  1 
ATOM   637  C  C   . SER A 1 81  ? -3.905  -7.540  2.816   1.00 27.27 ? 81  SER A C   1 
ATOM   638  O  O   . SER A 1 81  ? -3.678  -7.474  1.606   1.00 28.57 ? 81  SER A O   1 
ATOM   639  C  CB  . SER A 1 81  ? -6.003  -6.291  3.407   1.00 27.51 ? 81  SER A CB  1 
ATOM   640  O  OG  . SER A 1 81  ? -5.288  -5.411  4.270   1.00 28.82 ? 81  SER A OG  1 
ATOM   641  N  N   . ALA A 1 82  ? -2.928  -7.511  3.731   1.00 26.64 ? 82  ALA A N   1 
ATOM   642  C  CA  . ALA A 1 82  ? -1.527  -7.449  3.317   1.00 30.66 ? 82  ALA A CA  1 
ATOM   643  C  C   . ALA A 1 82  ? -1.137  -8.671  2.495   1.00 30.80 ? 82  ALA A C   1 
ATOM   644  O  O   . ALA A 1 82  ? -0.187  -8.618  1.697   1.00 32.89 ? 82  ALA A O   1 
ATOM   645  C  CB  . ALA A 1 82  ? -0.617  -7.326  4.534   1.00 30.47 ? 82  ALA A CB  1 
ATOM   646  N  N   . LEU A 1 83  ? -1.845  -9.780  2.684   1.00 26.77 ? 83  LEU A N   1 
ATOM   647  C  CA  . LEU A 1 83  ? -1.576  -11.025 1.973   1.00 28.57 ? 83  LEU A CA  1 
ATOM   648  C  C   . LEU A 1 83  ? -2.132  -11.020 0.553   1.00 28.67 ? 83  LEU A C   1 
ATOM   649  O  O   . LEU A 1 83  ? -1.984  -12.013 -0.162  1.00 30.17 ? 83  LEU A O   1 
ATOM   650  C  CB  . LEU A 1 83  ? -2.166  -12.193 2.765   1.00 28.92 ? 83  LEU A CB  1 
ATOM   651  C  CG  . LEU A 1 83  ? -1.695  -12.285 4.218   1.00 28.31 ? 83  LEU A CG  1 
ATOM   652  C  CD1 . LEU A 1 83  ? -2.402  -13.424 4.982   1.00 29.48 ? 83  LEU A CD1 1 
ATOM   653  C  CD2 . LEU A 1 83  ? -0.175  -12.484 4.248   1.00 33.13 ? 83  LEU A CD2 1 
ATOM   654  N  N   . LEU A 1 84  ? -2.803  -9.944  0.143   1.00 27.48 ? 84  LEU A N   1 
ATOM   655  C  CA  . LEU A 1 84  ? -3.339  -9.826  -1.200  1.00 25.65 ? 84  LEU A CA  1 
ATOM   656  C  C   . LEU A 1 84  ? -2.495  -8.940  -2.103  1.00 28.27 ? 84  LEU A C   1 
ATOM   657  O  O   . LEU A 1 84  ? -2.866  -8.720  -3.263  1.00 31.14 ? 84  LEU A O   1 
ATOM   658  C  CB  . LEU A 1 84  ? -4.760  -9.278  -1.120  1.00 27.61 ? 84  LEU A CB  1 
ATOM   659  C  CG  . LEU A 1 84  ? -5.673  -10.117 -0.244  1.00 23.92 ? 84  LEU A CG  1 
ATOM   660  C  CD1 . LEU A 1 84  ? -7.041  -9.471  -0.149  1.00 28.08 ? 84  LEU A CD1 1 
ATOM   661  C  CD2 . LEU A 1 84  ? -5.814  -11.508 -0.836  1.00 27.02 ? 84  LEU A CD2 1 
ATOM   662  N  N   . SER A 1 85  ? -1.374  -8.438  -1.602  1.00 27.96 ? 85  SER A N   1 
ATOM   663  C  CA  . SER A 1 85  ? -0.534  -7.511  -2.345  1.00 28.71 ? 85  SER A CA  1 
ATOM   664  C  C   . SER A 1 85  ? 0.051   -8.164  -3.592  1.00 30.01 ? 85  SER A C   1 
ATOM   665  O  O   . SER A 1 85  ? 0.236   -9.379  -3.650  1.00 28.71 ? 85  SER A O   1 
ATOM   666  C  CB  . SER A 1 85  ? 0.596   -7.026  -1.444  1.00 33.73 ? 85  SER A CB  1 
ATOM   667  O  OG  . SER A 1 85  ? 1.362   -6.038  -2.096  1.00 37.28 ? 85  SER A OG  1 
ATOM   668  N  N   . SER A 1 86  ? 0.382   -7.337  -4.594  1.00 31.73 ? 86  SER A N   1 
ATOM   669  C  CA  . SER A 1 86  ? 1.137   -7.861  -5.731  1.00 31.69 ? 86  SER A CA  1 
ATOM   670  C  C   . SER A 1 86  ? 2.550   -8.245  -5.328  1.00 30.55 ? 86  SER A C   1 
ATOM   671  O  O   . SER A 1 86  ? 3.190   -9.036  -6.029  1.00 34.04 ? 86  SER A O   1 
ATOM   672  C  CB  . SER A 1 86  ? 1.200   -6.852  -6.884  1.00 33.76 ? 86  SER A CB  1 
ATOM   673  O  OG  . SER A 1 86  ? 1.770   -5.637  -6.460  1.00 39.14 ? 86  SER A OG  1 
ATOM   674  N  N   . ASP A 1 87  ? 3.035   -7.703  -4.213  1.00 28.00 ? 87  ASP A N   1 
ATOM   675  C  CA  . ASP A 1 87  ? 4.335   -8.044  -3.651  1.00 33.19 ? 87  ASP A CA  1 
ATOM   676  C  C   . ASP A 1 87  ? 4.135   -9.142  -2.611  1.00 32.03 ? 87  ASP A C   1 
ATOM   677  O  O   . ASP A 1 87  ? 3.432   -8.934  -1.614  1.00 32.24 ? 87  ASP A O   1 
ATOM   678  C  CB  . ASP A 1 87  ? 4.965   -6.783  -3.059  1.00 31.86 ? 87  ASP A CB  1 
ATOM   679  C  CG  . ASP A 1 87  ? 6.129   -7.062  -2.107  1.00 36.20 ? 87  ASP A CG  1 
ATOM   680  O  OD1 . ASP A 1 87  ? 6.693   -8.181  -2.076  1.00 35.54 ? 87  ASP A OD1 1 
ATOM   681  O  OD2 . ASP A 1 87  ? 6.520   -6.106  -1.402  1.00 46.38 ? 87  ASP A OD2 1 
ATOM   682  N  N   . ILE A 1 88  ? 4.765   -10.301 -2.829  1.00 30.53 ? 88  ILE A N   1 
ATOM   683  C  CA  . ILE A 1 88  ? 4.448   -11.481 -2.021  1.00 28.05 ? 88  ILE A CA  1 
ATOM   684  C  C   . ILE A 1 88  ? 5.260   -11.556 -0.734  1.00 31.09 ? 88  ILE A C   1 
ATOM   685  O  O   . ILE A 1 88  ? 5.204   -12.572 -0.024  1.00 27.90 ? 88  ILE A O   1 
ATOM   686  C  CB  . ILE A 1 88  ? 4.624   -12.780 -2.830  1.00 29.11 ? 88  ILE A CB  1 
ATOM   687  C  CG1 . ILE A 1 88  ? 6.099   -13.052 -3.163  1.00 29.96 ? 88  ILE A CG1 1 
ATOM   688  C  CG2 . ILE A 1 88  ? 3.756   -12.742 -4.069  1.00 30.58 ? 88  ILE A CG2 1 
ATOM   689  C  CD1 . ILE A 1 88  ? 6.338   -14.461 -3.735  1.00 29.64 ? 88  ILE A CD1 1 
ATOM   690  N  N   . THR A 1 89  ? 5.992   -10.486 -0.403  1.00 29.96 ? 89  THR A N   1 
ATOM   691  C  CA  . THR A 1 89  ? 6.824   -10.504 0.800   1.00 27.50 ? 89  THR A CA  1 
ATOM   692  C  C   . THR A 1 89  ? 6.034   -10.936 2.034   1.00 29.20 ? 89  THR A C   1 
ATOM   693  O  O   . THR A 1 89  ? 6.442   -11.858 2.751   1.00 29.94 ? 89  THR A O   1 
ATOM   694  C  CB  . THR A 1 89  ? 7.463   -9.130  1.027   1.00 29.23 ? 89  THR A CB  1 
ATOM   695  O  OG1 . THR A 1 89  ? 8.365   -8.842  -0.046  1.00 33.77 ? 89  THR A OG1 1 
ATOM   696  C  CG2 . THR A 1 89  ? 8.238   -9.112  2.330   1.00 30.80 ? 89  THR A CG2 1 
ATOM   697  N  N   . ALA A 1 90  ? 4.891   -10.293 2.290   1.00 30.76 ? 90  ALA A N   1 
ATOM   698  C  CA  . ALA A 1 90  ? 4.112   -10.641 3.476   1.00 28.75 ? 90  ALA A CA  1 
ATOM   699  C  C   . ALA A 1 90  ? 3.670   -12.098 3.443   1.00 30.44 ? 90  ALA A C   1 
ATOM   700  O  O   . ALA A 1 90  ? 3.707   -12.785 4.470   1.00 29.73 ? 90  ALA A O   1 
ATOM   701  C  CB  . ALA A 1 90  ? 2.895   -9.718  3.605   1.00 29.20 ? 90  ALA A CB  1 
ATOM   702  N  N   . SER A 1 91  ? 3.242   -12.588 2.277   1.00 27.23 ? 91  SER A N   1 
ATOM   703  C  CA  . SER A 1 91  ? 2.765   -13.966 2.215   1.00 28.94 ? 91  SER A CA  1 
ATOM   704  C  C   . SER A 1 91  ? 3.902   -14.946 2.466   1.00 28.59 ? 91  SER A C   1 
ATOM   705  O  O   . SER A 1 91  ? 3.715   -15.958 3.156   1.00 26.32 ? 91  SER A O   1 
ATOM   706  C  CB  . SER A 1 91  ? 2.087   -14.243 0.870   1.00 27.50 ? 91  SER A CB  1 
ATOM   707  O  OG  . SER A 1 91  ? 0.787   -13.677 0.858   1.00 25.37 ? 91  SER A OG  1 
ATOM   708  N  N   . VAL A 1 92  ? 5.090   -14.661 1.928   1.00 26.65 ? 92  VAL A N   1 
ATOM   709  C  CA  . VAL A 1 92  ? 6.223   -15.555 2.137   1.00 26.92 ? 92  VAL A CA  1 
ATOM   710  C  C   . VAL A 1 92  ? 6.643   -15.552 3.597   1.00 27.31 ? 92  VAL A C   1 
ATOM   711  O  O   . VAL A 1 92  ? 6.910   -16.615 4.175   1.00 26.58 ? 92  VAL A O   1 
ATOM   712  C  CB  . VAL A 1 92  ? 7.395   -15.168 1.219   1.00 26.68 ? 92  VAL A CB  1 
ATOM   713  C  CG1 . VAL A 1 92  ? 8.673   -15.930 1.623   1.00 32.45 ? 92  VAL A CG1 1 
ATOM   714  C  CG2 . VAL A 1 92  ? 7.026   -15.417 -0.219  1.00 27.98 ? 92  VAL A CG2 1 
ATOM   715  N  N   . ASN A 1 93  ? 6.726   -14.365 4.216   1.00 27.34 ? 93  ASN A N   1 
ATOM   716  C  CA  . ASN A 1 93  ? 7.146   -14.299 5.613   1.00 29.94 ? 93  ASN A CA  1 
ATOM   717  C  C   . ASN A 1 93  ? 6.153   -15.026 6.503   1.00 26.19 ? 93  ASN A C   1 
ATOM   718  O  O   . ASN A 1 93  ? 6.536   -15.713 7.459   1.00 26.04 ? 93  ASN A O   1 
ATOM   719  C  CB  . ASN A 1 93  ? 7.294   -12.843 6.065   1.00 32.29 ? 93  ASN A CB  1 
ATOM   720  C  CG  . ASN A 1 93  ? 8.541   -12.192 5.502   1.00 34.90 ? 93  ASN A CG  1 
ATOM   721  O  OD1 . ASN A 1 93  ? 9.473   -12.879 5.084   1.00 38.13 ? 93  ASN A OD1 1 
ATOM   722  N  ND2 . ASN A 1 93  ? 8.566   -10.864 5.485   1.00 37.29 ? 93  ASN A ND2 1 
ATOM   723  N  N   . CYS A 1 94  ? 4.871   -14.910 6.193   1.00 25.97 ? 94  CYS A N   1 
ATOM   724  C  CA  . CYS A 1 94  ? 3.889   -15.637 6.982   1.00 26.45 ? 94  CYS A CA  1 
ATOM   725  C  C   . CYS A 1 94  ? 3.974   -17.136 6.710   1.00 26.93 ? 94  CYS A C   1 
ATOM   726  O  O   . CYS A 1 94  ? 3.886   -17.949 7.641   1.00 27.66 ? 94  CYS A O   1 
ATOM   727  C  CB  . CYS A 1 94  ? 2.497   -15.093 6.691   1.00 31.34 ? 94  CYS A CB  1 
ATOM   728  S  SG  . CYS A 1 94  ? 1.247   -15.690 7.804   1.00 27.42 ? 94  CYS A SG  1 
ATOM   729  N  N   . ALA A 1 95  ? 4.147   -17.517 5.441   1.00 24.41 ? 95  ALA A N   1 
ATOM   730  C  CA  . ALA A 1 95  ? 4.283   -18.937 5.107   1.00 23.78 ? 95  ALA A CA  1 
ATOM   731  C  C   . ALA A 1 95  ? 5.453   -19.581 5.838   1.00 24.27 ? 95  ALA A C   1 
ATOM   732  O  O   . ALA A 1 95  ? 5.362   -20.741 6.267   1.00 24.68 ? 95  ALA A O   1 
ATOM   733  C  CB  . ALA A 1 95  ? 4.435   -19.108 3.596   1.00 25.76 ? 95  ALA A CB  1 
ATOM   734  N  N   . LYS A 1 96  ? 6.568   -18.853 5.981   1.00 24.48 ? 96  LYS A N   1 
ATOM   735  C  CA  . LYS A 1 96  ? 7.706   -19.396 6.726   1.00 23.86 ? 96  LYS A CA  1 
ATOM   736  C  C   . LYS A 1 96  ? 7.310   -19.772 8.149   1.00 26.78 ? 96  LYS A C   1 
ATOM   737  O  O   . LYS A 1 96  ? 7.724   -20.824 8.663   1.00 28.01 ? 96  LYS A O   1 
ATOM   738  C  CB  . LYS A 1 96  ? 8.851   -18.389 6.736   1.00 21.87 ? 96  LYS A CB  1 
ATOM   739  C  CG  . LYS A 1 96  ? 9.514   -18.263 5.397   1.00 25.87 ? 96  LYS A CG  1 
ATOM   740  C  CD  . LYS A 1 96  ? 10.574  -17.174 5.415   1.00 25.90 ? 96  LYS A CD  1 
ATOM   741  C  CE  . LYS A 1 96  ? 11.391  -17.238 4.138   1.00 27.08 ? 96  LYS A CE  1 
ATOM   742  N  NZ  . LYS A 1 96  ? 12.392  -16.123 4.048   1.00 33.08 ? 96  LYS A NZ  1 
ATOM   743  N  N   . LYS A 1 97  ? 6.506   -18.936 8.802   1.00 26.39 ? 97  LYS A N   1 
ATOM   744  C  CA  . LYS A 1 97  ? 6.118   -19.245 10.169  1.00 27.04 ? 97  LYS A CA  1 
ATOM   745  C  C   . LYS A 1 97  ? 5.139   -20.417 10.193  1.00 27.49 ? 97  LYS A C   1 
ATOM   746  O  O   . LYS A 1 97  ? 5.230   -21.291 11.062  1.00 27.07 ? 97  LYS A O   1 
ATOM   747  C  CB  . LYS A 1 97  ? 5.518   -17.999 10.820  1.00 28.88 ? 97  LYS A CB  1 
ATOM   748  C  CG  . LYS A 1 97  ? 4.676   -18.244 12.043  1.00 35.73 ? 97  LYS A CG  1 
ATOM   749  C  CD  . LYS A 1 97  ? 4.311   -16.903 12.689  1.00 38.92 ? 97  LYS A CD  1 
ATOM   750  C  CE  . LYS A 1 97  ? 5.555   -16.088 13.067  1.00 42.72 ? 97  LYS A CE  1 
ATOM   751  N  NZ  . LYS A 1 97  ? 5.840   -16.111 14.535  1.00 48.01 ? 97  LYS A NZ  1 
ATOM   752  N  N   . ILE A 1 98  ? 4.217   -20.472 9.222   1.00 24.35 ? 98  ILE A N   1 
ATOM   753  C  CA  . ILE A 1 98  ? 3.252   -21.573 9.157   1.00 24.05 ? 98  ILE A CA  1 
ATOM   754  C  C   . ILE A 1 98  ? 3.969   -22.917 9.016   1.00 24.35 ? 98  ILE A C   1 
ATOM   755  O  O   . ILE A 1 98  ? 3.698   -23.872 9.758   1.00 26.54 ? 98  ILE A O   1 
ATOM   756  C  CB  . ILE A 1 98  ? 2.254   -21.342 8.004   1.00 25.44 ? 98  ILE A CB  1 
ATOM   757  C  CG1 . ILE A 1 98  ? 1.417   -20.075 8.234   1.00 24.30 ? 98  ILE A CG1 1 
ATOM   758  C  CG2 . ILE A 1 98  ? 1.353   -22.559 7.803   1.00 25.09 ? 98  ILE A CG2 1 
ATOM   759  C  CD1 . ILE A 1 98  ? 0.634   -19.626 6.993   1.00 24.96 ? 98  ILE A CD1 1 
ATOM   760  N  N   . VAL A 1 99  ? 4.869   -23.021 8.037   1.00 24.00 ? 99  VAL A N   1 
ATOM   761  C  CA  . VAL A 1 99  ? 5.532   -24.290 7.757   1.00 22.24 ? 99  VAL A CA  1 
ATOM   762  C  C   . VAL A 1 99  ? 6.498   -24.692 8.861   1.00 27.10 ? 99  VAL A C   1 
ATOM   763  O  O   . VAL A 1 99  ? 6.937   -25.851 8.902   1.00 29.54 ? 99  VAL A O   1 
ATOM   764  C  CB  . VAL A 1 99  ? 6.219   -24.203 6.378   1.00 24.92 ? 99  VAL A CB  1 
ATOM   765  C  CG1 . VAL A 1 99  ? 7.478   -23.302 6.428   1.00 24.25 ? 99  VAL A CG1 1 
ATOM   766  C  CG2 . VAL A 1 99  ? 6.549   -25.582 5.850   1.00 24.50 ? 99  VAL A CG2 1 
ATOM   767  N  N   . SER A 1 100 ? 6.807   -23.775 9.771   1.00 31.03 ? 100 SER A N   1 
ATOM   768  C  CA  . SER A 1 100 ? 7.645   -24.066 10.923  1.00 29.71 ? 100 SER A CA  1 
ATOM   769  C  C   . SER A 1 100 ? 6.853   -24.561 12.133  1.00 31.25 ? 100 SER A C   1 
ATOM   770  O  O   . SER A 1 100 ? 7.462   -24.933 13.140  1.00 37.33 ? 100 SER A O   1 
ATOM   771  C  CB  . SER A 1 100 ? 8.446   -22.814 11.301  1.00 32.22 ? 100 SER A CB  1 
ATOM   772  O  OG  . SER A 1 100 ? 9.299   -22.426 10.240  1.00 30.95 ? 100 SER A OG  1 
ATOM   773  N  N   . ASP A 1 101 ? 5.524   -24.594 12.058  1.00 29.30 ? 101 ASP A N   1 
ATOM   774  C  CA  . ASP A 1 101 ? 4.677   -24.691 13.244  1.00 34.57 ? 101 ASP A CA  1 
ATOM   775  C  C   . ASP A 1 101 ? 4.362   -26.127 13.648  1.00 37.71 ? 101 ASP A C   1 
ATOM   776  O  O   . ASP A 1 101 ? 3.544   -26.339 14.551  1.00 40.32 ? 101 ASP A O   1 
ATOM   777  C  CB  . ASP A 1 101 ? 3.374   -23.904 13.024  1.00 35.93 ? 101 ASP A CB  1 
ATOM   778  C  CG  . ASP A 1 101 ? 2.639   -23.593 14.327  1.00 38.62 ? 101 ASP A CG  1 
ATOM   779  O  OD1 . ASP A 1 101 ? 3.259   -23.019 15.247  1.00 45.39 ? 101 ASP A OD1 1 
ATOM   780  O  OD2 . ASP A 1 101 ? 1.435   -23.905 14.427  1.00 42.07 ? 101 ASP A OD2 1 
ATOM   781  N  N   . GLY A 1 102 ? 4.986   -27.116 13.012  1.00 34.44 ? 102 GLY A N   1 
ATOM   782  C  CA  . GLY A 1 102 ? 4.824   -28.484 13.466  1.00 34.11 ? 102 GLY A CA  1 
ATOM   783  C  C   . GLY A 1 102 ? 4.440   -29.476 12.390  1.00 33.45 ? 102 GLY A C   1 
ATOM   784  O  O   . GLY A 1 102 ? 5.020   -30.566 12.321  1.00 36.00 ? 102 GLY A O   1 
ATOM   785  N  N   . ASN A 1 103 ? 3.476   -29.122 11.541  1.00 29.56 ? 103 ASN A N   1 
ATOM   786  C  CA  . ASN A 1 103 ? 2.974   -30.045 10.535  1.00 30.12 ? 103 ASN A CA  1 
ATOM   787  C  C   . ASN A 1 103 ? 3.523   -29.758 9.146   1.00 25.06 ? 103 ASN A C   1 
ATOM   788  O  O   . ASN A 1 103 ? 3.049   -30.345 8.173   1.00 25.32 ? 103 ASN A O   1 
ATOM   789  C  CB  . ASN A 1 103 ? 1.444   -30.014 10.538  1.00 34.44 ? 103 ASN A CB  1 
ATOM   790  C  CG  . ASN A 1 103 ? 0.869   -30.495 11.868  1.00 42.74 ? 103 ASN A CG  1 
ATOM   791  O  OD1 . ASN A 1 103 ? 1.143   -31.612 12.305  1.00 49.56 ? 103 ASN A OD1 1 
ATOM   792  N  ND2 . ASN A 1 103 ? 0.115   -29.628 12.540  1.00 46.30 ? 103 ASN A ND2 1 
ATOM   793  N  N   . GLY A 1 104 ? 4.510   -28.877 9.039   1.00 24.54 ? 104 GLY A N   1 
ATOM   794  C  CA  . GLY A 1 104 ? 5.133   -28.671 7.746   1.00 23.19 ? 104 GLY A CA  1 
ATOM   795  C  C   . GLY A 1 104 ? 4.121   -28.138 6.749   1.00 23.20 ? 104 GLY A C   1 
ATOM   796  O  O   . GLY A 1 104 ? 3.214   -27.364 7.098   1.00 23.97 ? 104 GLY A O   1 
ATOM   797  N  N   . MET A 1 105 ? 4.238   -28.588 5.494   1.00 22.29 ? 105 MET A N   1 
ATOM   798  C  CA  . MET A 1 105 ? 3.405   -28.078 4.410   1.00 20.28 ? 105 MET A CA  1 
ATOM   799  C  C   . MET A 1 105 ? 2.023   -28.729 4.412   1.00 21.26 ? 105 MET A C   1 
ATOM   800  O  O   . MET A 1 105 ? 1.156   -28.357 3.604   1.00 22.40 ? 105 MET A O   1 
ATOM   801  C  CB  . MET A 1 105 ? 4.173   -28.345 3.128   1.00 21.92 ? 105 MET A CB  1 
ATOM   802  C  CG  . MET A 1 105 ? 5.100   -27.178 2.767   1.00 19.16 ? 105 MET A CG  1 
ATOM   803  S  SD  . MET A 1 105 ? 5.502   -26.975 1.063   1.00 23.38 ? 105 MET A SD  1 
ATOM   804  C  CE  . MET A 1 105 ? 4.048   -26.204 0.347   1.00 24.39 ? 105 MET A CE  1 
ATOM   805  N  N   . ASN A 1 106 ? 1.794   -29.705 5.297   1.00 23.98 ? 106 ASN A N   1 
ATOM   806  C  CA  . ASN A 1 106 ? 0.453   -30.267 5.454   1.00 24.90 ? 106 ASN A CA  1 
ATOM   807  C  C   . ASN A 1 106 ? -0.561  -29.214 5.906   1.00 20.74 ? 106 ASN A C   1 
ATOM   808  O  O   . ASN A 1 106 ? -1.768  -29.442 5.779   1.00 23.82 ? 106 ASN A O   1 
ATOM   809  C  CB  . ASN A 1 106 ? 0.485   -31.434 6.439   1.00 23.68 ? 106 ASN A CB  1 
ATOM   810  C  CG  . ASN A 1 106 ? 1.317   -32.602 5.924   1.00 23.10 ? 106 ASN A CG  1 
ATOM   811  O  OD1 . ASN A 1 106 ? 0.964   -33.238 4.928   1.00 25.49 ? 106 ASN A OD1 1 
ATOM   812  N  ND2 . ASN A 1 106 ? 2.453   -32.875 6.593   1.00 25.94 ? 106 ASN A ND2 1 
ATOM   813  N  N   . ALA A 1 107 ? -0.097  -28.072 6.430   1.00 22.48 ? 107 ALA A N   1 
ATOM   814  C  CA  . ALA A 1 107 ? -0.986  -26.948 6.721   1.00 23.26 ? 107 ALA A CA  1 
ATOM   815  C  C   . ALA A 1 107 ? -1.756  -26.474 5.489   1.00 24.83 ? 107 ALA A C   1 
ATOM   816  O  O   . ALA A 1 107 ? -2.844  -25.893 5.621   1.00 27.02 ? 107 ALA A O   1 
ATOM   817  C  CB  . ALA A 1 107 ? -0.168  -25.798 7.298   1.00 23.73 ? 107 ALA A CB  1 
ATOM   818  N  N   . TRP A 1 108 ? -1.219  -26.702 4.290   1.00 23.17 ? 108 TRP A N   1 
ATOM   819  C  CA  . TRP A 1 108 ? -1.896  -26.353 3.040   1.00 22.15 ? 108 TRP A CA  1 
ATOM   820  C  C   . TRP A 1 108 ? -2.639  -27.577 2.505   1.00 23.67 ? 108 TRP A C   1 
ATOM   821  O  O   . TRP A 1 108 ? -2.028  -28.532 2.021   1.00 22.61 ? 108 TRP A O   1 
ATOM   822  C  CB  . TRP A 1 108 ? -0.901  -25.810 2.020   1.00 20.83 ? 108 TRP A CB  1 
ATOM   823  C  CG  . TRP A 1 108 ? -0.454  -24.439 2.341   1.00 22.07 ? 108 TRP A CG  1 
ATOM   824  C  CD1 . TRP A 1 108 ? -1.084  -23.267 2.001   1.00 21.26 ? 108 TRP A CD1 1 
ATOM   825  C  CD2 . TRP A 1 108 ? 0.717   -24.069 3.080   1.00 20.15 ? 108 TRP A CD2 1 
ATOM   826  N  NE1 . TRP A 1 108 ? -0.367  -22.193 2.484   1.00 20.95 ? 108 TRP A NE1 1 
ATOM   827  C  CE2 . TRP A 1 108 ? 0.733   -22.655 3.166   1.00 19.86 ? 108 TRP A CE2 1 
ATOM   828  C  CE3 . TRP A 1 108 ? 1.745   -24.797 3.699   1.00 21.43 ? 108 TRP A CE3 1 
ATOM   829  C  CZ2 . TRP A 1 108 ? 1.751   -21.956 3.814   1.00 23.54 ? 108 TRP A CZ2 1 
ATOM   830  C  CZ3 . TRP A 1 108 ? 2.744   -24.103 4.364   1.00 21.06 ? 108 TRP A CZ3 1 
ATOM   831  C  CH2 . TRP A 1 108 ? 2.746   -22.700 4.409   1.00 24.30 ? 108 TRP A CH2 1 
ATOM   832  N  N   . VAL A 1 109 ? -3.961  -27.553 2.624   1.00 25.35 ? 109 VAL A N   1 
ATOM   833  C  CA  . VAL A 1 109 ? -4.768  -28.693 2.211   1.00 27.51 ? 109 VAL A CA  1 
ATOM   834  C  C   . VAL A 1 109 ? -4.494  -29.068 0.755   1.00 22.56 ? 109 VAL A C   1 
ATOM   835  O  O   . VAL A 1 109 ? -4.357  -30.254 0.419   1.00 27.45 ? 109 VAL A O   1 
ATOM   836  C  CB  . VAL A 1 109 ? -6.251  -28.362 2.450   1.00 26.84 ? 109 VAL A CB  1 
ATOM   837  C  CG1 . VAL A 1 109 ? -7.141  -29.436 1.864   1.00 30.33 ? 109 VAL A CG1 1 
ATOM   838  C  CG2 . VAL A 1 109 ? -6.518  -28.160 3.939   1.00 32.65 ? 109 VAL A CG2 1 
ATOM   839  N  N   . ALA A 1 110 ? -4.437  -28.081 -0.139  1.00 24.06 ? 110 ALA A N   1 
ATOM   840  C  CA  . ALA A 1 110 ? -4.217  -28.384 -1.550  1.00 22.68 ? 110 ALA A CA  1 
ATOM   841  C  C   . ALA A 1 110 ? -2.849  -29.000 -1.774  1.00 22.95 ? 110 ALA A C   1 
ATOM   842  O  O   . ALA A 1 110 ? -2.693  -29.842 -2.668  1.00 23.78 ? 110 ALA A O   1 
ATOM   843  C  CB  . ALA A 1 110 ? -4.363  -27.127 -2.408  1.00 27.35 ? 110 ALA A CB  1 
ATOM   844  N  N   . TRP A 1 111 ? -1.846  -28.588 -0.991  1.00 22.41 ? 111 TRP A N   1 
ATOM   845  C  CA  . TRP A 1 111 ? -0.538  -29.233 -1.107  1.00 22.45 ? 111 TRP A CA  1 
ATOM   846  C  C   . TRP A 1 111 ? -0.605  -30.698 -0.702  1.00 22.89 ? 111 TRP A C   1 
ATOM   847  O  O   . TRP A 1 111 ? -0.086  -31.569 -1.407  1.00 22.21 ? 111 TRP A O   1 
ATOM   848  C  CB  . TRP A 1 111 ? 0.515   -28.504 -0.269  1.00 23.17 ? 111 TRP A CB  1 
ATOM   849  C  CG  . TRP A 1 111 ? 1.855   -29.188 -0.352  1.00 20.92 ? 111 TRP A CG  1 
ATOM   850  C  CD1 . TRP A 1 111 ? 2.820   -29.012 -1.323  1.00 23.92 ? 111 TRP A CD1 1 
ATOM   851  C  CD2 . TRP A 1 111 ? 2.366   -30.184 0.538   1.00 22.25 ? 111 TRP A CD2 1 
ATOM   852  N  NE1 . TRP A 1 111 ? 3.900   -29.823 -1.066  1.00 21.19 ? 111 TRP A NE1 1 
ATOM   853  C  CE2 . TRP A 1 111 ? 3.647   -30.556 0.064   1.00 20.64 ? 111 TRP A CE2 1 
ATOM   854  C  CE3 . TRP A 1 111 ? 1.876   -30.793 1.701   1.00 24.07 ? 111 TRP A CE3 1 
ATOM   855  C  CZ2 . TRP A 1 111 ? 4.450   -31.505 0.721   1.00 23.36 ? 111 TRP A CZ2 1 
ATOM   856  C  CZ3 . TRP A 1 111 ? 2.679   -31.747 2.351   1.00 24.62 ? 111 TRP A CZ3 1 
ATOM   857  C  CH2 . TRP A 1 111 ? 3.951   -32.090 1.852   1.00 25.46 ? 111 TRP A CH2 1 
ATOM   858  N  N   . ARG A 1 112 ? -1.213  -30.989 0.452   1.00 21.98 ? 112 ARG A N   1 
ATOM   859  C  CA  . ARG A 1 112 ? -1.325  -32.380 0.888   1.00 25.70 ? 112 ARG A CA  1 
ATOM   860  C  C   . ARG A 1 112 ? -2.027  -33.231 -0.158  1.00 23.06 ? 112 ARG A C   1 
ATOM   861  O  O   . ARG A 1 112 ? -1.599  -34.354 -0.457  1.00 24.58 ? 112 ARG A O   1 
ATOM   862  C  CB  . ARG A 1 112 ? -2.093  -32.477 2.209   1.00 28.06 ? 112 ARG A CB  1 
ATOM   863  C  CG  . ARG A 1 112 ? -1.938  -33.871 2.832   1.00 32.30 ? 112 ARG A CG  1 
ATOM   864  C  CD  . ARG A 1 112 ? -2.451  -33.970 4.265   1.00 37.54 ? 112 ARG A CD  1 
ATOM   865  N  NE  . ARG A 1 112 ? -3.536  -33.038 4.530   1.00 36.84 ? 112 ARG A NE  1 
ATOM   866  C  CZ  . ARG A 1 112 ? -4.799  -33.256 4.186   1.00 41.33 ? 112 ARG A CZ  1 
ATOM   867  N  NH1 . ARG A 1 112 ? -5.173  -34.392 3.605   1.00 40.87 ? 112 ARG A NH1 1 
ATOM   868  N  NH2 . ARG A 1 112 ? -5.718  -32.331 4.462   1.00 41.84 ? 112 ARG A NH2 1 
ATOM   869  N  N   . ASN A 1 113 ? -3.119  -32.724 -0.717  1.00 23.29 ? 113 ASN A N   1 
ATOM   870  C  CA  . ASN A 1 113 ? -3.945  -33.565 -1.569  1.00 27.06 ? 113 ASN A CA  1 
ATOM   871  C  C   . ASN A 1 113 ? -3.530  -33.554 -3.027  1.00 25.17 ? 113 ASN A C   1 
ATOM   872  O  O   . ASN A 1 113 ? -3.945  -34.453 -3.767  1.00 27.46 ? 113 ASN A O   1 
ATOM   873  C  CB  . ASN A 1 113 ? -5.402  -33.126 -1.469  1.00 25.26 ? 113 ASN A CB  1 
ATOM   874  C  CG  . ASN A 1 113 ? -6.027  -33.533 -0.165  1.00 25.69 ? 113 ASN A CG  1 
ATOM   875  O  OD1 . ASN A 1 113 ? -5.626  -34.536 0.436   1.00 28.94 ? 113 ASN A OD1 1 
ATOM   876  N  ND2 . ASN A 1 113 ? -7.011  -32.754 0.295   1.00 29.50 ? 113 ASN A ND2 1 
ATOM   877  N  N   . ARG A 1 114 ? -2.723  -32.579 -3.463  1.00 22.55 ? 114 ARG A N   1 
ATOM   878  C  CA  . ARG A 1 114 ? -2.426  -32.456 -4.891  1.00 23.11 ? 114 ARG A CA  1 
ATOM   879  C  C   . ARG A 1 114 ? -0.947  -32.344 -5.224  1.00 23.87 ? 114 ARG A C   1 
ATOM   880  O  O   . ARG A 1 114 ? -0.589  -32.537 -6.394  1.00 26.17 ? 114 ARG A O   1 
ATOM   881  C  CB  . ARG A 1 114 ? -3.171  -31.255 -5.488  1.00 23.05 ? 114 ARG A CB  1 
ATOM   882  C  CG  . ARG A 1 114 ? -4.662  -31.351 -5.214  1.00 23.19 ? 114 ARG A CG  1 
ATOM   883  C  CD  . ARG A 1 114 ? -5.449  -30.215 -5.771  1.00 24.10 ? 114 ARG A CD  1 
ATOM   884  N  NE  . ARG A 1 114 ? -5.650  -30.327 -7.204  1.00 25.97 ? 114 ARG A NE  1 
ATOM   885  C  CZ  . ARG A 1 114 ? -6.393  -29.468 -7.890  1.00 24.20 ? 114 ARG A CZ  1 
ATOM   886  N  NH1 . ARG A 1 114 ? -7.014  -28.468 -7.290  1.00 25.65 ? 114 ARG A NH1 1 
ATOM   887  N  NH2 . ARG A 1 114 ? -6.510  -29.617 -9.203  1.00 26.53 ? 114 ARG A NH2 1 
ATOM   888  N  N   . CYS A 1 115 ? -0.086  -32.070 -4.258  1.00 22.62 ? 115 CYS A N   1 
ATOM   889  C  CA  . CYS A 1 115 ? 1.336   -31.893 -4.529  1.00 22.89 ? 115 CYS A CA  1 
ATOM   890  C  C   . CYS A 1 115 ? 2.196   -32.908 -3.809  1.00 23.59 ? 115 CYS A C   1 
ATOM   891  O  O   . CYS A 1 115 ? 3.177   -33.410 -4.380  1.00 24.27 ? 115 CYS A O   1 
ATOM   892  C  CB  . CYS A 1 115 ? 1.787   -30.491 -4.104  1.00 23.74 ? 115 CYS A CB  1 
ATOM   893  S  SG  . CYS A 1 115 ? 0.913   -29.135 -4.901  1.00 23.36 ? 115 CYS A SG  1 
ATOM   894  N  N   . LYS A 1 116 ? 1.863   -33.192 -2.550  1.00 22.35 ? 116 LYS A N   1 
ATOM   895  C  CA  . LYS A 1 116 ? 2.638   -34.119 -1.737  1.00 23.61 ? 116 LYS A CA  1 
ATOM   896  C  C   . LYS A 1 116 ? 2.803   -35.457 -2.445  1.00 24.37 ? 116 LYS A C   1 
ATOM   897  O  O   . LYS A 1 116 ? 1.831   -36.044 -2.921  1.00 26.63 ? 116 LYS A O   1 
ATOM   898  C  CB  . LYS A 1 116 ? 1.929   -34.312 -0.396  1.00 24.24 ? 116 LYS A CB  1 
ATOM   899  C  CG  . LYS A 1 116 ? 2.681   -35.143 0.616   1.00 24.21 ? 116 LYS A CG  1 
ATOM   900  C  CD  . LYS A 1 116 ? 1.888   -35.226 1.914   1.00 24.61 ? 116 LYS A CD  1 
ATOM   901  C  CE  . LYS A 1 116 ? 2.696   -35.869 3.028   1.00 27.77 ? 116 LYS A CE  1 
ATOM   902  N  NZ  . LYS A 1 116 ? 1.921   -35.974 4.314   1.00 28.89 ? 116 LYS A NZ  1 
ATOM   903  N  N   . GLY A 1 117 ? 4.049   -35.917 -2.541  1.00 27.85 ? 117 GLY A N   1 
ATOM   904  C  CA  . GLY A 1 117 ? 4.303   -37.211 -3.141  1.00 30.79 ? 117 GLY A CA  1 
ATOM   905  C  C   . GLY A 1 117 ? 4.303   -37.243 -4.651  1.00 33.34 ? 117 GLY A C   1 
ATOM   906  O  O   . GLY A 1 117 ? 4.419   -38.333 -5.230  1.00 39.13 ? 117 GLY A O   1 
ATOM   907  N  N   . THR A 1 118 ? 4.176   -36.095 -5.304  1.00 27.63 ? 118 THR A N   1 
ATOM   908  C  CA  . THR A 1 118 ? 4.221   -35.985 -6.750  1.00 29.87 ? 118 THR A CA  1 
ATOM   909  C  C   . THR A 1 118 ? 5.557   -35.403 -7.181  1.00 26.92 ? 118 THR A C   1 
ATOM   910  O  O   . THR A 1 118 ? 6.379   -34.987 -6.362  1.00 30.33 ? 118 THR A O   1 
ATOM   911  C  CB  . THR A 1 118 ? 3.080   -35.110 -7.269  1.00 31.71 ? 118 THR A CB  1 
ATOM   912  O  OG1 . THR A 1 118 ? 3.371   -33.734 -7.006  1.00 25.85 ? 118 THR A OG1 1 
ATOM   913  C  CG2 . THR A 1 118 ? 1.774   -35.493 -6.596  1.00 26.36 ? 118 THR A CG2 1 
ATOM   914  N  N   . ASP A 1 119 ? 5.764   -35.371 -8.496  1.00 28.26 ? 119 ASP A N   1 
ATOM   915  C  CA  . ASP A 1 119 ? 7.005   -34.856 -9.062  1.00 30.52 ? 119 ASP A CA  1 
ATOM   916  C  C   . ASP A 1 119 ? 6.923   -33.333 -9.107  1.00 30.68 ? 119 ASP A C   1 
ATOM   917  O  O   . ASP A 1 119 ? 6.706   -32.713 -10.151 1.00 31.68 ? 119 ASP A O   1 
ATOM   918  C  CB  . ASP A 1 119 ? 7.249   -35.454 -10.439 1.00 35.79 ? 119 ASP A CB  1 
ATOM   919  C  CG  . ASP A 1 119 ? 8.494   -34.897 -11.102 1.00 40.18 ? 119 ASP A CG  1 
ATOM   920  O  OD1 . ASP A 1 119 ? 9.379   -34.379 -10.381 1.00 38.81 ? 119 ASP A OD1 1 
ATOM   921  O  OD2 . ASP A 1 119 ? 8.592   -34.998 -12.344 1.00 45.76 ? 119 ASP A OD2 1 
ATOM   922  N  N   . VAL A 1 120 ? 7.103   -32.712 -7.939  1.00 29.42 ? 120 VAL A N   1 
ATOM   923  C  CA  . VAL A 1 120 ? 6.905   -31.263 -7.845  1.00 26.93 ? 120 VAL A CA  1 
ATOM   924  C  C   . VAL A 1 120 ? 7.978   -30.500 -8.613  1.00 29.83 ? 120 VAL A C   1 
ATOM   925  O  O   . VAL A 1 120 ? 7.796   -29.319 -8.920  1.00 27.18 ? 120 VAL A O   1 
ATOM   926  C  CB  . VAL A 1 120 ? 6.870   -30.820 -6.367  1.00 28.40 ? 120 VAL A CB  1 
ATOM   927  C  CG1 . VAL A 1 120 ? 5.659   -31.440 -5.618  1.00 26.41 ? 120 VAL A CG1 1 
ATOM   928  C  CG2 . VAL A 1 120 ? 8.156   -31.191 -5.685  1.00 29.66 ? 120 VAL A CG2 1 
ATOM   929  N  N   . GLN A 1 121 ? 9.101   -31.154 -8.935  1.00 31.16 ? 121 GLN A N   1 
ATOM   930  C  CA  . GLN A 1 121 ? 10.159  -30.506 -9.702  1.00 33.95 ? 121 GLN A CA  1 
ATOM   931  C  C   . GLN A 1 121 ? 9.627   -29.998 -11.038 1.00 32.14 ? 121 GLN A C   1 
ATOM   932  O  O   . GLN A 1 121 ? 10.117  -28.986 -11.559 1.00 32.84 ? 121 GLN A O   1 
ATOM   933  C  CB  . GLN A 1 121 ? 11.319  -31.507 -9.866  1.00 33.89 ? 121 GLN A CB  1 
ATOM   934  C  CG  . GLN A 1 121 ? 12.574  -31.164 -10.731 1.00 43.20 ? 121 GLN A CG  1 
ATOM   935  C  CD  . GLN A 1 121 ? 12.334  -30.693 -12.160 1.00 41.11 ? 121 GLN A CD  1 
ATOM   936  O  OE1 . GLN A 1 121 ? 11.599  -31.323 -12.931 1.00 43.23 ? 121 GLN A OE1 1 
ATOM   937  N  NE2 . GLN A 1 121 ? 12.995  -29.591 -12.533 1.00 41.17 ? 121 GLN A NE2 1 
ATOM   938  N  N   . ALA A 1 122 ? 8.612   -30.670 -11.590 1.00 26.88 ? 122 ALA A N   1 
ATOM   939  C  CA  . ALA A 1 122 ? 8.020   -30.254 -12.858 1.00 31.05 ? 122 ALA A CA  1 
ATOM   940  C  C   . ALA A 1 122 ? 7.512   -28.822 -12.808 1.00 31.84 ? 122 ALA A C   1 
ATOM   941  O  O   . ALA A 1 122 ? 7.444   -28.148 -13.843 1.00 30.75 ? 122 ALA A O   1 
ATOM   942  C  CB  . ALA A 1 122 ? 6.877   -31.192 -13.229 1.00 34.49 ? 122 ALA A CB  1 
ATOM   943  N  N   . TRP A 1 123 ? 7.139   -28.338 -11.622 1.00 29.16 ? 123 TRP A N   1 
ATOM   944  C  CA  . TRP A 1 123 ? 6.584   -26.997 -11.522 1.00 26.88 ? 123 TRP A CA  1 
ATOM   945  C  C   . TRP A 1 123 ? 7.616   -25.904 -11.765 1.00 26.05 ? 123 TRP A C   1 
ATOM   946  O  O   . TRP A 1 123 ? 7.226   -24.751 -11.972 1.00 27.10 ? 123 TRP A O   1 
ATOM   947  C  CB  . TRP A 1 123 ? 5.926   -26.818 -10.157 1.00 26.09 ? 123 TRP A CB  1 
ATOM   948  C  CG  . TRP A 1 123 ? 4.663   -27.581 -10.084 1.00 26.46 ? 123 TRP A CG  1 
ATOM   949  C  CD1 . TRP A 1 123 ? 4.473   -28.787 -9.479  1.00 28.31 ? 123 TRP A CD1 1 
ATOM   950  C  CD2 . TRP A 1 123 ? 3.406   -27.223 -10.674 1.00 25.65 ? 123 TRP A CD2 1 
ATOM   951  N  NE1 . TRP A 1 123 ? 3.169   -29.198 -9.643  1.00 28.20 ? 123 TRP A NE1 1 
ATOM   952  C  CE2 . TRP A 1 123 ? 2.494   -28.257 -10.370 1.00 27.64 ? 123 TRP A CE2 1 
ATOM   953  C  CE3 . TRP A 1 123 ? 2.964   -26.129 -11.425 1.00 29.61 ? 123 TRP A CE3 1 
ATOM   954  C  CZ2 . TRP A 1 123 ? 1.161   -28.229 -10.785 1.00 29.51 ? 123 TRP A CZ2 1 
ATOM   955  C  CZ3 . TRP A 1 123 ? 1.641   -26.107 -11.843 1.00 35.39 ? 123 TRP A CZ3 1 
ATOM   956  C  CH2 . TRP A 1 123 ? 0.758   -27.154 -11.518 1.00 29.33 ? 123 TRP A CH2 1 
ATOM   957  N  N   . ILE A 1 124 ? 8.910   -26.224 -11.758 1.00 29.20 ? 124 ILE A N   1 
ATOM   958  C  CA  . ILE A 1 124 ? 9.922   -25.223 -12.060 1.00 31.59 ? 124 ILE A CA  1 
ATOM   959  C  C   . ILE A 1 124 ? 10.646  -25.536 -13.358 1.00 32.11 ? 124 ILE A C   1 
ATOM   960  O  O   . ILE A 1 124 ? 11.676  -24.912 -13.653 1.00 32.60 ? 124 ILE A O   1 
ATOM   961  C  CB  . ILE A 1 124 ? 10.930  -25.054 -10.911 1.00 32.45 ? 124 ILE A CB  1 
ATOM   962  C  CG1 . ILE A 1 124 ? 11.480  -26.404 -10.465 1.00 32.79 ? 124 ILE A CG1 1 
ATOM   963  C  CG2 . ILE A 1 124 ? 10.262  -24.370 -9.745  1.00 32.81 ? 124 ILE A CG2 1 
ATOM   964  C  CD1 . ILE A 1 124 ? 12.606  -26.296 -9.440  1.00 39.16 ? 124 ILE A CD1 1 
ATOM   965  N  N   . ARG A 1 125 ? 10.128  -26.481 -14.145 1.00 29.49 ? 125 ARG A N   1 
ATOM   966  C  CA  . ARG A 1 125 ? 10.750  -26.821 -15.418 1.00 33.52 ? 125 ARG A CA  1 
ATOM   967  C  C   . ARG A 1 125 ? 10.814  -25.599 -16.325 1.00 33.12 ? 125 ARG A C   1 
ATOM   968  O  O   . ARG A 1 125 ? 9.899   -24.770 -16.356 1.00 34.07 ? 125 ARG A O   1 
ATOM   969  C  CB  . ARG A 1 125 ? 9.982   -27.963 -16.090 1.00 36.52 ? 125 ARG A CB  1 
ATOM   970  C  CG  . ARG A 1 125 ? 8.874   -27.533 -17.057 1.00 42.68 ? 125 ARG A CG  1 
ATOM   971  C  CD  . ARG A 1 125 ? 7.753   -28.564 -17.117 1.00 45.01 ? 125 ARG A CD  1 
ATOM   972  N  NE  . ARG A 1 125 ? 6.524   -28.035 -17.696 1.00 46.08 ? 125 ARG A NE  1 
ATOM   973  C  CZ  . ARG A 1 125 ? 5.478   -27.623 -16.988 1.00 49.10 ? 125 ARG A CZ  1 
ATOM   974  N  NH1 . ARG A 1 125 ? 5.478   -27.662 -15.662 1.00 43.55 ? 125 ARG A NH1 1 
ATOM   975  N  NH2 . ARG A 1 125 ? 4.407   -27.153 -17.624 1.00 49.91 ? 125 ARG A NH2 1 
ATOM   976  N  N   . GLY A 1 126 ? 11.936  -25.462 -17.031 1.00 36.33 ? 126 GLY A N   1 
ATOM   977  C  CA  . GLY A 1 126 ? 12.107  -24.365 -17.954 1.00 32.50 ? 126 GLY A CA  1 
ATOM   978  C  C   . GLY A 1 126 ? 12.400  -23.022 -17.332 1.00 35.42 ? 126 GLY A C   1 
ATOM   979  O  O   . GLY A 1 126 ? 12.710  -22.076 -18.068 1.00 39.60 ? 126 GLY A O   1 
ATOM   980  N  N   . CYS A 1 127 ? 12.333  -22.889 -16.010 1.00 33.39 ? 127 CYS A N   1 
ATOM   981  C  CA  . CYS A 1 127 ? 12.567  -21.595 -15.388 1.00 30.37 ? 127 CYS A CA  1 
ATOM   982  C  C   . CYS A 1 127 ? 14.054  -21.304 -15.259 1.00 34.24 ? 127 CYS A C   1 
ATOM   983  O  O   . CYS A 1 127 ? 14.846  -22.164 -14.862 1.00 36.96 ? 127 CYS A O   1 
ATOM   984  C  CB  . CYS A 1 127 ? 11.919  -21.520 -14.008 1.00 31.54 ? 127 CYS A CB  1 
ATOM   985  S  SG  . CYS A 1 127 ? 10.139  -21.864 -13.989 1.00 33.05 ? 127 CYS A SG  1 
ATOM   986  N  N   . ARG A 1 128 ? 14.423  -20.071 -15.576 1.00 37.16 ? 128 ARG A N   1 
ATOM   987  C  CA  . ARG A 1 128 ? 15.811  -19.637 -15.510 1.00 38.57 ? 128 ARG A CA  1 
ATOM   988  C  C   . ARG A 1 128 ? 16.074  -19.249 -14.066 1.00 43.56 ? 128 ARG A C   1 
ATOM   989  O  O   . ARG A 1 128 ? 15.864  -18.107 -13.649 1.00 47.22 ? 128 ARG A O   1 
ATOM   990  C  CB  . ARG A 1 128 ? 16.057  -18.488 -16.475 1.00 40.95 ? 128 ARG A CB  1 
ATOM   991  C  CG  . ARG A 1 128 ? 17.465  -17.952 -16.465 1.00 44.24 ? 128 ARG A CG  1 
ATOM   992  C  CD  . ARG A 1 128 ? 18.501  -18.955 -16.960 1.00 46.35 ? 128 ARG A CD  1 
ATOM   993  N  NE  . ARG A 1 128 ? 19.560  -18.250 -17.673 1.00 46.99 ? 128 ARG A NE  1 
ATOM   994  C  CZ  . ARG A 1 128 ? 19.547  -17.987 -18.973 1.00 45.90 ? 128 ARG A CZ  1 
ATOM   995  N  NH1 . ARG A 1 128 ? 18.587  -18.447 -19.762 1.00 48.37 ? 128 ARG A NH1 1 
ATOM   996  N  NH2 . ARG A 1 128 ? 20.524  -17.248 -19.494 1.00 46.44 ? 128 ARG A NH2 1 
ATOM   997  N  N   . LEU A 1 129 ? 16.494  -20.229 -13.279 1.00 44.29 ? 129 LEU A N   1 
ATOM   998  C  CA  . LEU A 1 129 ? 16.681  -20.017 -11.855 1.00 48.29 ? 129 LEU A CA  1 
ATOM   999  C  C   . LEU A 1 129 ? 18.149  -20.166 -11.497 1.00 49.71 ? 129 LEU A C   1 
ATOM   1000 O  O   . LEU A 1 129 ? 18.916  -20.921 -12.113 1.00 50.03 ? 129 LEU A O   1 
ATOM   1001 C  CB  . LEU A 1 129 ? 15.818  -20.989 -11.041 1.00 46.43 ? 129 LEU A CB  1 
ATOM   1002 C  CG  . LEU A 1 129 ? 14.297  -20.811 -11.141 1.00 42.53 ? 129 LEU A CG  1 
ATOM   1003 C  CD1 . LEU A 1 129 ? 13.579  -21.948 -10.442 1.00 41.69 ? 129 LEU A CD1 1 
ATOM   1004 C  CD2 . LEU A 1 129 ? 13.856  -19.486 -10.541 1.00 42.83 ? 129 LEU A CD2 1 
ATOM   1005 O  OXT . LEU A 1 129 ? 18.584  -19.489 -10.573 1.00 53.77 ? 129 LEU A OXT 1 
HETATM 1006 C  C1  . NAG B 2 .   ? -5.685  -23.983 7.202   0.74 31.59 ? 1   NAG E C1  1 
HETATM 1007 C  C2  . NAG B 2 .   ? -4.383  -23.390 7.743   0.74 29.30 ? 1   NAG E C2  1 
HETATM 1008 C  C3  . NAG B 2 .   ? -3.834  -24.236 8.894   0.74 29.51 ? 1   NAG E C3  1 
HETATM 1009 C  C4  . NAG B 2 .   ? -4.922  -24.609 9.900   0.74 34.90 ? 1   NAG E C4  1 
HETATM 1010 C  C5  . NAG B 2 .   ? -6.222  -25.059 9.233   0.74 36.12 ? 1   NAG E C5  1 
HETATM 1011 C  C6  . NAG B 2 .   ? -7.405  -25.253 10.156  0.74 36.66 ? 1   NAG E C6  1 
HETATM 1012 C  C7  . NAG B 2 .   ? -3.021  -22.108 6.198   0.74 28.38 ? 1   NAG E C7  1 
HETATM 1013 C  C8  . NAG B 2 .   ? -1.994  -22.162 5.111   0.74 24.14 ? 1   NAG E C8  1 
HETATM 1014 N  N2  . NAG B 2 .   ? -3.397  -23.277 6.678   0.74 27.60 ? 1   NAG E N2  1 
HETATM 1015 O  O1  . NAG B 2 .   ? -6.239  -23.179 6.212   0.74 33.97 ? 1   NAG E O1  1 
HETATM 1016 O  O3  . NAG B 2 .   ? -2.727  -23.571 9.499   0.74 31.24 ? 1   NAG E O3  1 
HETATM 1017 O  O4  . NAG B 2 .   ? -4.449  -25.747 10.621  0.74 35.50 ? 1   NAG E O4  1 
HETATM 1018 O  O5  . NAG B 2 .   ? -6.609  -24.078 8.266   0.74 37.40 ? 1   NAG E O5  1 
HETATM 1019 O  O6  . NAG B 2 .   ? -7.923  -24.042 10.692  0.74 38.56 ? 1   NAG E O6  1 
HETATM 1020 O  O7  . NAG B 2 .   ? -3.486  -21.053 6.612   0.74 25.68 ? 1   NAG E O7  1 
HETATM 1021 C  C1  . NAG B 2 .   ? -4.262  -25.546 11.993  0.74 38.67 ? 2   NAG E C1  1 
HETATM 1022 C  C2  . NAG B 2 .   ? -4.229  -26.909 12.671  0.74 41.07 ? 2   NAG E C2  1 
HETATM 1023 C  C3  . NAG B 2 .   ? -3.574  -26.944 14.054  0.74 41.43 ? 2   NAG E C3  1 
HETATM 1024 C  C4  . NAG B 2 .   ? -2.383  -25.996 14.128  0.74 41.46 ? 2   NAG E C4  1 
HETATM 1025 C  C5  . NAG B 2 .   ? -2.716  -24.621 13.554  0.74 37.88 ? 2   NAG E C5  1 
HETATM 1026 C  C6  . NAG B 2 .   ? -1.533  -23.682 13.584  0.74 37.21 ? 2   NAG E C6  1 
HETATM 1027 C  C7  . NAG B 2 .   ? -5.910  -28.507 11.933  0.74 42.97 ? 2   NAG E C7  1 
HETATM 1028 C  C8  . NAG B 2 .   ? -7.319  -28.997 12.081  0.74 39.75 ? 2   NAG E C8  1 
HETATM 1029 N  N2  . NAG B 2 .   ? -5.568  -27.487 12.707  0.74 42.12 ? 2   NAG E N2  1 
HETATM 1030 O  O3  . NAG B 2 .   ? -3.185  -28.283 14.340  0.74 42.84 ? 2   NAG E O3  1 
HETATM 1031 O  O4  . NAG B 2 .   ? -1.924  -25.787 15.467  0.74 43.12 ? 2   NAG E O4  1 
HETATM 1032 O  O5  . NAG B 2 .   ? -3.079  -24.782 12.180  0.74 35.60 ? 2   NAG E O5  1 
HETATM 1033 O  O6  . NAG B 2 .   ? -0.407  -24.255 12.922  0.74 38.66 ? 2   NAG E O6  1 
HETATM 1034 O  O7  . NAG B 2 .   ? -5.125  -29.017 11.140  0.74 45.67 ? 2   NAG E O7  1 
HETATM 1035 C  C1  . NAG B 2 .   ? -0.684  -26.372 15.764  0.74 43.73 ? 3   NAG E C1  1 
HETATM 1036 C  C2  . NAG B 2 .   ? -0.138  -25.749 17.035  0.74 44.25 ? 3   NAG E C2  1 
HETATM 1037 C  C3  . NAG B 2 .   ? 1.225   -26.372 17.332  0.74 44.48 ? 3   NAG E C3  1 
HETATM 1038 C  C4  . NAG B 2 .   ? 1.226   -27.900 17.313  0.74 45.83 ? 3   NAG E C4  1 
HETATM 1039 C  C5  . NAG B 2 .   ? 0.394   -28.483 16.166  0.74 46.30 ? 3   NAG E C5  1 
HETATM 1040 C  C6  . NAG B 2 .   ? 0.030   -29.928 16.431  0.74 46.25 ? 3   NAG E C6  1 
HETATM 1041 C  C7  . NAG B 2 .   ? -0.665  -23.435 17.659  0.74 46.50 ? 3   NAG E C7  1 
HETATM 1042 C  C8  . NAG B 2 .   ? -1.601  -24.019 18.676  0.74 43.85 ? 3   NAG E C8  1 
HETATM 1043 N  N2  . NAG B 2 .   ? -0.009  -24.301 16.896  0.74 44.10 ? 3   NAG E N2  1 
HETATM 1044 O  O3  . NAG B 2 .   ? 1.674   -25.886 18.592  0.74 45.85 ? 3   NAG E O3  1 
HETATM 1045 O  O4  . NAG B 2 .   ? 2.572   -28.355 17.186  0.74 46.78 ? 3   NAG E O4  1 
HETATM 1046 O  O5  . NAG B 2 .   ? -0.836  -27.779 15.913  0.74 45.95 ? 3   NAG E O5  1 
HETATM 1047 O  O6  . NAG B 2 .   ? -0.632  -30.544 15.332  0.74 48.47 ? 3   NAG E O6  1 
HETATM 1048 O  O7  . NAG B 2 .   ? -0.516  -22.223 17.542  0.74 47.68 ? 3   NAG E O7  1 
HETATM 1049 CL CL  . CL  C 3 .   ? -7.587  -30.343 -1.926  1.00 32.71 ? 201 CL  A CL  1 
HETATM 1050 O  O   . HOH D 4 .   ? -7.417  -13.797 12.890  1.00 27.54 ? 301 HOH A O   1 
HETATM 1051 O  O   . HOH D 4 .   ? -0.817  -13.191 -2.027  1.00 34.31 ? 302 HOH A O   1 
HETATM 1052 O  O   . HOH D 4 .   ? 5.099   -8.682  -7.771  1.00 39.89 ? 303 HOH A O   1 
HETATM 1053 O  O   . HOH D 4 .   ? 6.600   -27.752 10.666  1.00 33.93 ? 304 HOH A O   1 
HETATM 1054 O  O   . HOH D 4 .   ? 3.909   -7.999  0.783   1.00 31.61 ? 305 HOH A O   1 
HETATM 1055 O  O   . HOH D 4 .   ? -6.638  -3.393  5.287   1.00 39.37 ? 306 HOH A O   1 
HETATM 1056 O  O   . HOH D 4 .   ? 14.530  -31.669 1.759   1.00 31.67 ? 307 HOH A O   1 
HETATM 1057 O  O   . HOH D 4 .   ? -7.099  -23.502 1.101   1.00 35.91 ? 308 HOH A O   1 
HETATM 1058 O  O   . HOH D 4 .   ? -10.778 -12.541 -3.864  1.00 26.41 ? 309 HOH A O   1 
HETATM 1059 O  O   . HOH D 4 .   ? -13.239 -14.259 7.772   1.00 26.89 ? 310 HOH A O   1 
HETATM 1060 O  O   . HOH D 4 .   ? -8.634  -21.730 0.055   1.00 32.16 ? 311 HOH A O   1 
HETATM 1061 O  O   . HOH D 4 .   ? 1.095   -11.468 -2.207  1.00 29.80 ? 312 HOH A O   1 
HETATM 1062 O  O   . HOH D 4 .   ? -1.519  -33.010 -8.863  1.00 28.09 ? 313 HOH A O   1 
HETATM 1063 O  O   . HOH D 4 .   ? -0.393  -17.712 -14.463 1.00 34.99 ? 314 HOH A O   1 
HETATM 1064 O  O   . HOH D 4 .   ? -7.423  -25.362 -3.236  1.00 29.71 ? 315 HOH A O   1 
HETATM 1065 O  O   . HOH D 4 .   ? -15.760 -17.990 -0.412  1.00 36.54 ? 316 HOH A O   1 
HETATM 1066 O  O   . HOH D 4 .   ? 7.603   -10.050 -10.771 1.00 39.00 ? 317 HOH A O   1 
HETATM 1067 O  O   . HOH D 4 .   ? 10.869  -31.105 5.137   1.00 29.07 ? 318 HOH A O   1 
HETATM 1068 O  O   . HOH D 4 .   ? -13.910 -13.910 0.000   0.50 26.77 ? 319 HOH A O   1 
HETATM 1069 O  O   . HOH D 4 .   ? 1.779   -6.731  2.177   1.00 34.71 ? 320 HOH A O   1 
HETATM 1070 O  O   . HOH D 4 .   ? 2.436   -26.334 9.821   1.00 30.75 ? 321 HOH A O   1 
HETATM 1071 O  O   . HOH D 4 .   ? 3.858   -11.436 6.890   1.00 31.84 ? 322 HOH A O   1 
HETATM 1072 O  O   . HOH D 4 .   ? 14.479  -24.674 -13.696 1.00 37.63 ? 323 HOH A O   1 
HETATM 1073 O  O   . HOH D 4 .   ? -2.796  -18.722 -13.340 1.00 35.87 ? 324 HOH A O   1 
HETATM 1074 O  O   . HOH D 4 .   ? -5.067  -25.233 3.725   1.00 32.01 ? 325 HOH A O   1 
HETATM 1075 O  O   . HOH D 4 .   ? -5.162  -10.364 -9.482  1.00 26.01 ? 326 HOH A O   1 
HETATM 1076 O  O   . HOH D 4 .   ? 7.253   -34.948 -3.682  1.00 32.74 ? 327 HOH A O   1 
HETATM 1077 O  O   . HOH D 4 .   ? 4.228   -33.044 -11.462 1.00 38.04 ? 328 HOH A O   1 
HETATM 1078 O  O   . HOH D 4 .   ? 15.120  -19.802 -1.930  1.00 32.40 ? 329 HOH A O   1 
HETATM 1079 O  O   . HOH D 4 .   ? 2.712   -31.962 -9.215  1.00 26.23 ? 330 HOH A O   1 
HETATM 1080 O  O   . HOH D 4 .   ? 6.354   -33.271 -1.886  1.00 28.47 ? 331 HOH A O   1 
HETATM 1081 O  O   . HOH D 4 .   ? -4.342  -32.264 -8.821  1.00 25.74 ? 332 HOH A O   1 
HETATM 1082 O  O   . HOH D 4 .   ? 1.160   -38.597 -4.020  1.00 39.01 ? 333 HOH A O   1 
HETATM 1083 O  O   . HOH D 4 .   ? -3.810  -5.462  -0.425  1.00 36.48 ? 334 HOH A O   1 
HETATM 1084 O  O   . HOH D 4 .   ? -7.676  -17.123 -8.163  1.00 29.99 ? 335 HOH A O   1 
HETATM 1085 O  O   . HOH D 4 .   ? -1.056  -15.891 0.822   1.00 25.78 ? 336 HOH A O   1 
HETATM 1086 O  O   . HOH D 4 .   ? -12.326 -12.326 18.900  0.50 38.54 ? 337 HOH A O   1 
HETATM 1087 O  O   . HOH D 4 .   ? 3.207   -37.736 6.213   1.00 30.11 ? 338 HOH A O   1 
HETATM 1088 O  O   . HOH D 4 .   ? -9.547  -22.271 9.777   1.00 38.01 ? 339 HOH A O   1 
HETATM 1089 O  O   . HOH D 4 .   ? -1.884  -9.738  -13.232 1.00 35.52 ? 340 HOH A O   1 
HETATM 1090 O  O   . HOH D 4 .   ? -18.191 -9.502  6.240   1.00 33.56 ? 341 HOH A O   1 
HETATM 1091 O  O   . HOH D 4 .   ? -0.190  -37.796 3.388   1.00 35.04 ? 342 HOH A O   1 
HETATM 1092 O  O   . HOH D 4 .   ? 3.994   -36.987 -10.204 1.00 35.92 ? 343 HOH A O   1 
HETATM 1093 O  O   . HOH D 4 .   ? -7.635  -27.317 -10.661 1.00 29.32 ? 344 HOH A O   1 
HETATM 1094 O  O   . HOH D 4 .   ? -7.217  -11.799 14.338  1.00 32.70 ? 345 HOH A O   1 
HETATM 1095 O  O   . HOH D 4 .   ? -9.067  -12.424 11.924  1.00 28.47 ? 346 HOH A O   1 
HETATM 1096 O  O   . HOH D 4 .   ? 14.878  -23.611 6.695   1.00 36.96 ? 347 HOH A O   1 
HETATM 1097 O  O   . HOH D 4 .   ? -2.680  -4.344  3.297   1.00 37.88 ? 348 HOH A O   1 
HETATM 1098 O  O   . HOH D 4 .   ? 6.500   -16.536 -15.799 1.00 28.83 ? 349 HOH A O   1 
HETATM 1099 O  O   . HOH D 4 .   ? 1.964   -10.672 0.337   1.00 27.98 ? 350 HOH A O   1 
HETATM 1100 O  O   . HOH D 4 .   ? -5.549  -24.278 -9.883  1.00 38.46 ? 351 HOH A O   1 
HETATM 1101 O  O   . HOH D 4 .   ? 11.559  -28.574 -6.855  1.00 24.13 ? 352 HOH A O   1 
HETATM 1102 O  O   . HOH D 4 .   ? 6.288   -19.314 -16.703 1.00 36.31 ? 353 HOH A O   1 
HETATM 1103 O  O   . HOH D 4 .   ? 11.761  -11.766 -8.060  1.00 35.12 ? 354 HOH A O   1 
HETATM 1104 O  O   . HOH D 4 .   ? -13.682 -24.184 8.258   1.00 32.37 ? 355 HOH A O   1 
HETATM 1105 O  O   . HOH D 4 .   ? -9.702  -5.272  12.292  1.00 32.31 ? 356 HOH A O   1 
HETATM 1106 O  O   . HOH D 4 .   ? -2.133  -6.797  12.425  1.00 34.36 ? 357 HOH A O   1 
HETATM 1107 O  O   . HOH D 4 .   ? 2.692   -19.449 -16.395 1.00 41.20 ? 358 HOH A O   1 
HETATM 1108 O  O   . HOH D 4 .   ? 0.587   -36.000 7.120   1.00 37.25 ? 359 HOH A O   1 
HETATM 1109 O  O   . HOH D 4 .   ? 9.128   -12.126 -9.820  1.00 37.30 ? 360 HOH A O   1 
HETATM 1110 O  O   . HOH D 4 .   ? -5.774  -29.276 -12.235 1.00 35.88 ? 361 HOH A O   1 
HETATM 1111 O  O   . HOH D 4 .   ? -11.028 -11.198 13.960  1.00 28.25 ? 362 HOH A O   1 
HETATM 1112 O  O   . HOH D 4 .   ? 15.872  -23.393 -7.786  1.00 47.73 ? 363 HOH A O   1 
HETATM 1113 O  O   . HOH D 4 .   ? 6.996   -10.132 -5.132  1.00 30.03 ? 364 HOH A O   1 
HETATM 1114 O  O   . HOH D 4 .   ? -4.654  -5.646  11.838  1.00 35.99 ? 365 HOH A O   1 
HETATM 1115 O  O   . HOH D 4 .   ? 3.355   -38.617 -0.304  1.00 30.48 ? 366 HOH A O   1 
HETATM 1116 O  O   . HOH D 4 .   ? 2.565   -38.521 -8.975  1.00 36.06 ? 367 HOH A O   1 
HETATM 1117 O  O   . HOH D 4 .   ? 0.736   -38.562 0.747   1.00 35.92 ? 368 HOH A O   1 
HETATM 1118 O  O   . HOH D 4 .   ? -18.460 -18.460 0.000   0.50 33.33 ? 369 HOH A O   1 
HETATM 1119 O  O   . HOH D 4 .   ? 2.604   -6.016  4.736   1.00 45.17 ? 370 HOH A O   1 
# 
