data_9OS1
# 
_entry.id   9OS1 
# 
_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   9OS1         pdb_00009os1 10.2210/pdb9os1/pdb 
WWPDB D_1000296218 ?            ?                   
# 
_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                        9OS1 
_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 'MicroED structure of the same protein in apo-form' 9ORZ unspecified 
PDB 'XRD structure of the same protein-ligand complex'  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 
'Vlahakis, N.W.'  1 ? 
'Flowers, C.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.'         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 'SODIUM ION' 22.990    1 ?        ? ?        ? 
4 water       nat water 18.015    4 ?        ? ?        ? 
# 
_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 'SODIUM ION' NA  
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 
CYS 'L-peptide linking'          y CYSTEINE                                 ? 'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking'          y GLUTAMINE                                ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking'          y 'GLUTAMIC ACID'                          ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'            y GLYCINE                                  ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking'          y HISTIDINE                                ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer                  . WATER                                    ? 'H2 O'           18.015  
ILE 'L-peptide linking'          y ISOLEUCINE                               ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking'          y LEUCINE                                  ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking'          y LYSINE                                   ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking'          y METHIONINE                               ? 'C5 H11 N O2 S'  149.211 
NA  non-polymer                  . 'SODIUM ION'                             ? 'Na 1'           22.990  
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 NA  1 201 1 NA  NA  A . 
D 4 HOH 1 301 4 HOH HOH A . 
D 4 HOH 2 302 3 HOH HOH A . 
D 4 HOH 3 303 2 HOH HOH A . 
D 4 HOH 4 304 1 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.dependencies 
_software.description 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.pdbx_ordinal 
_software.pdbx_reference_DOI 
_software.type 
_software.version 
? refinement        ? ? ? ? ? ? ? ? ? ? ? PHENIX      ? ? 1 ? ? 1.20.1_4487 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? XDS         ? ? 2 ? ? .           
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? XSCALE      ? ? 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                     9OS1 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     77.150 
_cell.length_a_esd                 ? 
_cell.length_b                     77.150 
_cell.length_b_esd                 ? 
_cell.length_c                     37.490 
_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                         9OS1 
_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                   9OS1 
_exptl.crystals_number            ? 
_exptl.details                    ? 
_exptl.method                     'ELECTRON CRYSTALLOGRAPHY' 
_exptl.method_details             ? 
# 
_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                                 9OS1 
_refine.pdbx_refine_id                           'ELECTRON CRYSTALLOGRAPHY' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.30 
_refine.ls_d_res_low                             34.50 
_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                     4718 
_refine.ls_number_reflns_R_free                  473 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    87.65 
_refine.ls_percent_reflns_R_free                 10.03 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2283 
_refine.ls_R_factor_R_free                       0.2637 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2246 
_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                          1.35 
_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                 27.19 
_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                            0.31 
_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                    ? 
# 
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 
'ELECTRON CRYSTALLOGRAPHY' ? 0.007  ? 1070 ? f_bond_d           ? ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 1.231  ? 1452 ? f_angle_d          ? ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 18.644 ? 187  ? f_dihedral_angle_d ? ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.073  ? 160  ? f_chiral_restr     ? ? ? 
'ELECTRON CRYSTALLOGRAPHY' ? 0.009  ? 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 
'ELECTRON CRYSTALLOGRAPHY' 2.30 2.63  . . 153 1380 88.00 . . . . 0.2999 . . . . . . . . . . . . . . . 0.3303 
'ELECTRON CRYSTALLOGRAPHY' 2.63 3.32  . . 157 1404 88.00 . . . . 0.2806 . . . . . . . . . . . . . . . 0.2937 
'ELECTRON CRYSTALLOGRAPHY' 3.32 34.50 . . 163 1461 87.00 . . . . 0.1806 . . . . . . . . . . . . . . . 0.2321 
# 
_struct.entry_id                     9OS1 
_struct.title                        
;MicroED structure of lysozyme co-crystallized with N,N',N"-triacetylchitotriose
;
_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        9OS1 
_struct_keywords.text            'Enzyme, ligand, complex, MicroED, 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              9OS1 
_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_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  ? LEU A 84  ? PRO A 79  LEU A 84  5 ? 6  
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 ? ? ? ? ? ? ? 2.045 ? ? 
disulf2 disulf ?    ? A CYS 30 SG ? ? ? 1_555 A CYS 115 SG ? ? A CYS 30 A CYS 115 1_555 ? ? ? ? ? ? ? 2.042 ? ? 
disulf3 disulf ?    ? A CYS 64 SG ? ? ? 1_555 A CYS 80  SG ? ? A CYS 64 A CYS 80  1_555 ? ? ? ? ? ? ? 2.047 ? ? 
disulf4 disulf ?    ? A CYS 76 SG ? ? ? 1_555 A CYS 94  SG ? ? A CYS 76 A CYS 94  1_555 ? ? ? ? ? ? ? 2.031 ? ? 
covale1 covale both ? B NAG .  O4 ? ? ? 1_555 B NAG .   C1 ? ? E NAG 1  E NAG 2   1_555 ? ? ? ? ? ? ? 1.398 ? ? 
covale2 covale both ? B NAG .  O4 ? ? ? 1_555 B NAG .   C1 ? ? E NAG 2  E NAG 3   1_555 ? ? ? ? ? ? ? 1.400 ? ? 
metalc1 metalc ?    ? A SER 72 OG ? ? ? 1_555 C NA  .   NA ? ? A SER 72 A NA  201 1_555 ? ? ? ? ? ? ? 2.600 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
metalc ? ? 
# 
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                   9OS1 
_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 
# 
_em_3d_fitting.id                1 
_em_3d_fitting.entry_id          9OS1 
_em_3d_fitting.method            ? 
_em_3d_fitting.target_criteria   ? 
_em_3d_fitting.details           ? 
_em_3d_fitting.overall_b_value   ? 
_em_3d_fitting.ref_space         ? 
_em_3d_fitting.ref_protocol      ? 
# 
_em_3d_fitting_list.id                            1 
_em_3d_fitting_list.3d_fitting_id                 1 
_em_3d_fitting_list.pdb_entry_id                  1DPX 
_em_3d_fitting_list.pdb_chain_id                  ? 
_em_3d_fitting_list.pdb_chain_residue_range       ? 
_em_3d_fitting_list.details                       ? 
_em_3d_fitting_list.chain_id                      ? 
_em_3d_fitting_list.chain_residue_range           ? 
_em_3d_fitting_list.source_name                   PDB 
_em_3d_fitting_list.type                          'experimental model' 
_em_3d_fitting_list.accession_code                1DPX 
_em_3d_fitting_list.initial_refinement_model_id   1 
# 
_em_3d_reconstruction.entry_id                    9OS1 
_em_3d_reconstruction.id                          1 
_em_3d_reconstruction.method                      ? 
_em_3d_reconstruction.algorithm                   ? 
_em_3d_reconstruction.citation_id                 ? 
_em_3d_reconstruction.details                     ? 
_em_3d_reconstruction.resolution                  2.3 
_em_3d_reconstruction.resolution_method           'DIFFRACTION PATTERN/LAYERLINES' 
_em_3d_reconstruction.magnification_calibration   ? 
_em_3d_reconstruction.nominal_pixel_size          ? 
_em_3d_reconstruction.actual_pixel_size           ? 
_em_3d_reconstruction.num_particles               ? 
_em_3d_reconstruction.euler_angles_details        ? 
_em_3d_reconstruction.num_class_averages          ? 
_em_3d_reconstruction.refinement_type             ? 
_em_3d_reconstruction.image_processing_id         1 
_em_3d_reconstruction.symmetry_type               '3D CRYSTAL' 
# 
_em_buffer.id            1 
_em_buffer.specimen_id   1 
_em_buffer.name          ? 
_em_buffer.details       '800 mM NaCl, 80 mM sodium acetate pH 4.8' 
_em_buffer.pH            4.8 
# 
_em_entity_assembly.id                   1 
_em_entity_assembly.parent_id            0 
_em_entity_assembly.source               NATURAL 
_em_entity_assembly.type                 COMPLEX 
_em_entity_assembly.name                 
;Lysozyme bound to N,N',N"-triacetylchitotriose
;
_em_entity_assembly.details              
;Crystals formed by vapor diffusion in sitting drops, from 80 mg/mL lysozyme mixed 1:1 with reservoir solution (800 mM NaCl, 80 mM sodium acetate pH 4.8)
;
_em_entity_assembly.synonym              ? 
_em_entity_assembly.oligomeric_details   ? 
_em_entity_assembly.entity_id_list       1 
# 
_em_imaging.entry_id                        9OS1 
_em_imaging.id                              1 
_em_imaging.astigmatism                     ? 
_em_imaging.electron_beam_tilt_params       ? 
_em_imaging.residual_tilt                   ? 
_em_imaging.microscope_model                'TFS TALOS F200C' 
_em_imaging.specimen_holder_type            ? 
_em_imaging.specimen_holder_model           ? 
_em_imaging.details                         ? 
_em_imaging.date                            ? 
_em_imaging.accelerating_voltage            200 
_em_imaging.illumination_mode               'FLOOD BEAM' 
_em_imaging.mode                            DIFFRACTION 
_em_imaging.nominal_cs                      ? 
_em_imaging.nominal_defocus_min             0 
_em_imaging.nominal_defocus_max             0 
_em_imaging.calibrated_defocus_min          ? 
_em_imaging.calibrated_defocus_max          ? 
_em_imaging.tilt_angle_min                  ? 
_em_imaging.tilt_angle_max                  ? 
_em_imaging.nominal_magnification           ? 
_em_imaging.calibrated_magnification        ? 
_em_imaging.electron_source                 'FIELD EMISSION GUN' 
_em_imaging.citation_id                     ? 
_em_imaging.temperature                     ? 
_em_imaging.detector_distance               ? 
_em_imaging.recording_temperature_minimum   ? 
_em_imaging.recording_temperature_maximum   ? 
_em_imaging.alignment_procedure             ? 
_em_imaging.c2_aperture_diameter            70 
_em_imaging.specimen_id                     1 
_em_imaging.cryogen                         ? 
_em_imaging.objective_aperture              ? 
_em_imaging.microscope_serial_number        ? 
_em_imaging.microscope_version              ? 
# 
_em_vitrification.entry_id              9OS1 
_em_vitrification.id                    1 
_em_vitrification.specimen_id           1 
_em_vitrification.cryogen_name          ETHANE 
_em_vitrification.humidity              ? 
_em_vitrification.temp                  ? 
_em_vitrification.chamber_temperature   ? 
_em_vitrification.instrument            ? 
_em_vitrification.method                ? 
_em_vitrification.time_resolved_state   ? 
_em_vitrification.citation_id           ? 
_em_vitrification.details               ? 
# 
_em_experiment.entry_id                9OS1 
_em_experiment.id                      1 
_em_experiment.reconstruction_method   CRYSTALLOGRAPHY 
_em_experiment.aggregation_state       '3D ARRAY' 
_em_experiment.entity_assembly_id      1 
# 
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  
CYS N    N  N N 74  
CYS CA   C  N R 75  
CYS C    C  N N 76  
CYS O    O  N N 77  
CYS CB   C  N N 78  
CYS SG   S  N N 79  
CYS OXT  O  N N 80  
CYS H    H  N N 81  
CYS H2   H  N N 82  
CYS HA   H  N N 83  
CYS HB2  H  N N 84  
CYS HB3  H  N N 85  
CYS HG   H  N N 86  
CYS HXT  H  N N 87  
GLN N    N  N N 88  
GLN CA   C  N S 89  
GLN C    C  N N 90  
GLN O    O  N N 91  
GLN CB   C  N N 92  
GLN CG   C  N N 93  
GLN CD   C  N N 94  
GLN OE1  O  N N 95  
GLN NE2  N  N N 96  
GLN OXT  O  N N 97  
GLN H    H  N N 98  
GLN H2   H  N N 99  
GLN HA   H  N N 100 
GLN HB2  H  N N 101 
GLN HB3  H  N N 102 
GLN HG2  H  N N 103 
GLN HG3  H  N N 104 
GLN HE21 H  N N 105 
GLN HE22 H  N N 106 
GLN HXT  H  N N 107 
GLU N    N  N N 108 
GLU CA   C  N S 109 
GLU C    C  N N 110 
GLU O    O  N N 111 
GLU CB   C  N N 112 
GLU CG   C  N N 113 
GLU CD   C  N N 114 
GLU OE1  O  N N 115 
GLU OE2  O  N N 116 
GLU OXT  O  N N 117 
GLU H    H  N N 118 
GLU H2   H  N N 119 
GLU HA   H  N N 120 
GLU HB2  H  N N 121 
GLU HB3  H  N N 122 
GLU HG2  H  N N 123 
GLU HG3  H  N N 124 
GLU HE2  H  N N 125 
GLU HXT  H  N N 126 
GLY N    N  N N 127 
GLY CA   C  N N 128 
GLY C    C  N N 129 
GLY O    O  N N 130 
GLY OXT  O  N N 131 
GLY H    H  N N 132 
GLY H2   H  N N 133 
GLY HA2  H  N N 134 
GLY HA3  H  N N 135 
GLY HXT  H  N N 136 
HIS N    N  N N 137 
HIS CA   C  N S 138 
HIS C    C  N N 139 
HIS O    O  N N 140 
HIS CB   C  N N 141 
HIS CG   C  Y N 142 
HIS ND1  N  Y N 143 
HIS CD2  C  Y N 144 
HIS CE1  C  Y N 145 
HIS NE2  N  Y N 146 
HIS OXT  O  N N 147 
HIS H    H  N N 148 
HIS H2   H  N N 149 
HIS HA   H  N N 150 
HIS HB2  H  N N 151 
HIS HB3  H  N N 152 
HIS HD1  H  N N 153 
HIS HD2  H  N N 154 
HIS HE1  H  N N 155 
HIS HE2  H  N N 156 
HIS HXT  H  N N 157 
HOH O    O  N N 158 
HOH H1   H  N N 159 
HOH H2   H  N N 160 
ILE N    N  N N 161 
ILE CA   C  N S 162 
ILE C    C  N N 163 
ILE O    O  N N 164 
ILE CB   C  N S 165 
ILE CG1  C  N N 166 
ILE CG2  C  N N 167 
ILE CD1  C  N N 168 
ILE OXT  O  N N 169 
ILE H    H  N N 170 
ILE H2   H  N N 171 
ILE HA   H  N N 172 
ILE HB   H  N N 173 
ILE HG12 H  N N 174 
ILE HG13 H  N N 175 
ILE HG21 H  N N 176 
ILE HG22 H  N N 177 
ILE HG23 H  N N 178 
ILE HD11 H  N N 179 
ILE HD12 H  N N 180 
ILE HD13 H  N N 181 
ILE HXT  H  N N 182 
LEU N    N  N N 183 
LEU CA   C  N S 184 
LEU C    C  N N 185 
LEU O    O  N N 186 
LEU CB   C  N N 187 
LEU CG   C  N N 188 
LEU CD1  C  N N 189 
LEU CD2  C  N N 190 
LEU OXT  O  N N 191 
LEU H    H  N N 192 
LEU H2   H  N N 193 
LEU HA   H  N N 194 
LEU HB2  H  N N 195 
LEU HB3  H  N N 196 
LEU HG   H  N N 197 
LEU HD11 H  N N 198 
LEU HD12 H  N N 199 
LEU HD13 H  N N 200 
LEU HD21 H  N N 201 
LEU HD22 H  N N 202 
LEU HD23 H  N N 203 
LEU HXT  H  N N 204 
LYS N    N  N N 205 
LYS CA   C  N S 206 
LYS C    C  N N 207 
LYS O    O  N N 208 
LYS CB   C  N N 209 
LYS CG   C  N N 210 
LYS CD   C  N N 211 
LYS CE   C  N N 212 
LYS NZ   N  N N 213 
LYS OXT  O  N N 214 
LYS H    H  N N 215 
LYS H2   H  N N 216 
LYS HA   H  N N 217 
LYS HB2  H  N N 218 
LYS HB3  H  N N 219 
LYS HG2  H  N N 220 
LYS HG3  H  N N 221 
LYS HD2  H  N N 222 
LYS HD3  H  N N 223 
LYS HE2  H  N N 224 
LYS HE3  H  N N 225 
LYS HZ1  H  N N 226 
LYS HZ2  H  N N 227 
LYS HZ3  H  N N 228 
LYS HXT  H  N N 229 
MET N    N  N N 230 
MET CA   C  N S 231 
MET C    C  N N 232 
MET O    O  N N 233 
MET CB   C  N N 234 
MET CG   C  N N 235 
MET SD   S  N N 236 
MET CE   C  N N 237 
MET OXT  O  N N 238 
MET H    H  N N 239 
MET H2   H  N N 240 
MET HA   H  N N 241 
MET HB2  H  N N 242 
MET HB3  H  N N 243 
MET HG2  H  N N 244 
MET HG3  H  N N 245 
MET HE1  H  N N 246 
MET HE2  H  N N 247 
MET HE3  H  N N 248 
MET HXT  H  N N 249 
NA  NA   NA 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 
# 
_em_3d_crystal_entity.angle_alpha           90 
_em_3d_crystal_entity.angle_beta            90 
_em_3d_crystal_entity.angle_gamma           90 
_em_3d_crystal_entity.image_processing_id   1 
_em_3d_crystal_entity.id                    1 
_em_3d_crystal_entity.length_a              77.15 
_em_3d_crystal_entity.length_b              77.15 
_em_3d_crystal_entity.length_c              37.49 
_em_3d_crystal_entity.space_group_name      P43212 
_em_3d_crystal_entity.space_group_num       96 
# 
_em_crystal_formation.atmosphere            ? 
_em_crystal_formation.details               
;Crystals formed by vapor diffusion in sitting drops, from 80 mg/mL lysozyme mixed 1:1 with reservoir solution (800 mM NaCl, 80 mM sodium acetate pH 4.8)
;
_em_crystal_formation.id                    1 
_em_crystal_formation.instrument            ? 
_em_crystal_formation.lipid_mixture         ? 
_em_crystal_formation.lipid_protein_ratio   ? 
_em_crystal_formation.specimen_id           1 
_em_crystal_formation.temperature           293 
_em_crystal_formation.time                  ? 
_em_crystal_formation.time_unit             ? 
# 
_em_ctf_correction.details                  ? 
_em_ctf_correction.em_image_processing_id   1 
_em_ctf_correction.id                       1 
_em_ctf_correction.type                     NONE 
# 
_em_diffraction_shell.em_diffraction_stats_id   1 
_em_diffraction_shell.fourier_space_coverage    88.6 
_em_diffraction_shell.high_resolution           2.3 
_em_diffraction_shell.id                        1 
_em_diffraction_shell.low_resolution            2.4 
_em_diffraction_shell.multiplicity              8.8 
_em_diffraction_shell.num_structure_factors     562 
_em_diffraction_shell.phase_residual            35.2 
# 
_em_diffraction_stats.details                          ? 
_em_diffraction_stats.fourier_space_coverage           87.5 
_em_diffraction_stats.high_resolution                  2.3 
_em_diffraction_stats.id                               1 
_em_diffraction_stats.image_processing_id              1 
_em_diffraction_stats.num_intensities_measured         40130 
_em_diffraction_stats.num_structure_factors            4738 
_em_diffraction_stats.overall_phase_error              ? 
_em_diffraction_stats.overall_phase_residual           ? 
_em_diffraction_stats.phase_error_rejection_criteria   NONE 
_em_diffraction_stats.r_merge                          0.283 
_em_diffraction_stats.r_sym                            ? 
# 
_em_entity_assembly_naturalsource.cell                 ? 
_em_entity_assembly_naturalsource.cellular_location    ? 
_em_entity_assembly_naturalsource.entity_assembly_id   1 
_em_entity_assembly_naturalsource.id                   2 
_em_entity_assembly_naturalsource.ncbi_tax_id          9031 
_em_entity_assembly_naturalsource.organism             'Gallus gallus' 
_em_entity_assembly_naturalsource.organelle            ? 
_em_entity_assembly_naturalsource.organ                ? 
_em_entity_assembly_naturalsource.strain               ? 
_em_entity_assembly_naturalsource.tissue               ? 
_em_entity_assembly_naturalsource.details              ? 
# 
_em_image_processing.details              ? 
_em_image_processing.id                   1 
_em_image_processing.image_recording_id   1 
# 
_em_image_recording.average_exposure_time               ? 
_em_image_recording.avg_electron_dose_per_subtomogram   ? 
_em_image_recording.avg_electron_dose_per_image         0.09 
_em_image_recording.details                             ? 
_em_image_recording.detector_mode                       ? 
_em_image_recording.film_or_detector_model              'DIRECT ELECTRON APOLLO (4k x 4k)' 
_em_image_recording.id                                  1 
_em_image_recording.imaging_id                          1 
_em_image_recording.num_diffraction_images              ? 
_em_image_recording.num_grids_imaged                    ? 
_em_image_recording.num_real_images                     ? 
# 
loop_
_em_software.category 
_em_software.details 
_em_software.id 
_em_software.image_processing_id 
_em_software.fitting_id 
_em_software.imaging_id 
_em_software.name 
_em_software.version 
_em_software.reference_DOI 
'IMAGE ACQUISITION'             ? 1  ? ? 1 ? ? ? 
MASKING                         ? 2  ? ? ? ? ? ? 
'CTF CORRECTION'                ? 3  1 ? ? ? ? ? 
'LAYERLINE INDEXING'            ? 4  ? ? ? ? ? ? 
'DIFFRACTION INDEXING'          ? 5  ? ? ? ? ? ? 
'MODEL FITTING'                 ? 6  ? 1 ? ? ? ? 
OTHER                           ? 7  ? ? ? ? ? ? 
'MOLECULAR REPLACEMENT'         ? 8  1 ? ? ? ? ? 
'LATTICE DISTORTION CORRECTION' ? 9  1 ? ? ? ? ? 
'SYMMETRY DETERMINATION'        ? 10 1 ? ? ? ? ? 
'CRYSTALLOGRAPHY MERGING'       ? 11 1 ? ? ? ? ? 
RECONSTRUCTION                  ? 12 1 ? ? ? ? ? 
'MODEL REFINEMENT'              ? 13 ? 1 ? ? ? ? 
'PARTICLE SELECTION'            ? 14 1 1 1 ? ? ? 
'VOLUME SELECTION'              ? 15 1 1 1 ? ? ? 
CLASSIFICATION                  ? 16 1 1 1 ? ? ? 
'INITIAL EULER ASSIGNMENT'      ? 17 1 1 1 ? ? ? 
'FINAL EULER ASSIGNMENT'        ? 18 1 1 1 ? ? ? 
'SERIES ALIGNMENT'              ? 19 1 1 1 ? ? ? 
# 
_em_specimen.concentration           ? 
_em_specimen.details                 ? 
_em_specimen.embedding_applied       NO 
_em_specimen.experiment_id           1 
_em_specimen.id                      1 
_em_specimen.shadowing_applied       NO 
_em_specimen.staining_applied        NO 
_em_specimen.vitrification_applied   YES 
# 
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                    9OS1 
_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]   0.012962 
_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]   0.012962 
_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]   0.026674 
_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  
N  
NA 
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . LYS A 1 1   ? -9.241  3.067   -18.068 1.00 33.37 ? 1   LYS A N   1 
ATOM   2    C  CA  . LYS A 1 1   ? -9.738  2.124   -19.060 1.00 33.74 ? 1   LYS A CA  1 
ATOM   3    C  C   . LYS A 1 1   ? -11.253 2.165   -19.198 1.00 33.26 ? 1   LYS A C   1 
ATOM   4    O  O   . LYS A 1 1   ? -11.982 2.144   -18.198 1.00 32.83 ? 1   LYS A O   1 
ATOM   5    C  CB  . LYS A 1 1   ? -9.308  0.703   -18.674 1.00 35.80 ? 1   LYS A CB  1 
ATOM   6    C  CG  . LYS A 1 1   ? -9.893  -0.403  -19.547 1.00 36.21 ? 1   LYS A CG  1 
ATOM   7    C  CD  . LYS A 1 1   ? -9.270  -1.766  -19.235 1.00 38.21 ? 1   LYS A CD  1 
ATOM   8    C  CE  . LYS A 1 1   ? -9.980  -2.905  -19.986 1.00 39.27 ? 1   LYS A CE  1 
ATOM   9    N  NZ  . LYS A 1 1   ? -9.291  -3.399  -21.207 1.00 41.60 ? 1   LYS A NZ  1 
ATOM   10   N  N   . VAL A 1 2   ? -11.713 2.281   -20.441 1.00 34.58 ? 2   VAL A N   1 
ATOM   11   C  CA  . VAL A 1 2   ? -13.126 2.184   -20.790 1.00 33.89 ? 2   VAL A CA  1 
ATOM   12   C  C   . VAL A 1 2   ? -13.359 0.771   -21.312 1.00 33.74 ? 2   VAL A C   1 
ATOM   13   O  O   . VAL A 1 2   ? -12.913 0.420   -22.410 1.00 34.58 ? 2   VAL A O   1 
ATOM   14   C  CB  . VAL A 1 2   ? -13.573 3.270   -21.782 1.00 37.32 ? 2   VAL A CB  1 
ATOM   15   C  CG1 . VAL A 1 2   ? -12.594 3.405   -22.955 1.00 38.35 ? 2   VAL A CG1 1 
ATOM   16   C  CG2 . VAL A 1 2   ? -15.012 3.010   -22.247 1.00 37.50 ? 2   VAL A CG2 1 
ATOM   17   N  N   . PHE A 1 3   ? -14.042 -0.046  -20.523 1.00 34.17 ? 3   PHE A N   1 
ATOM   18   C  CA  . PHE A 1 3   ? -14.327 -1.421  -20.904 1.00 33.98 ? 3   PHE A CA  1 
ATOM   19   C  C   . PHE A 1 3   ? -15.383 -1.531  -21.986 1.00 34.80 ? 3   PHE A C   1 
ATOM   20   O  O   . PHE A 1 3   ? -16.244 -0.661  -22.145 1.00 35.24 ? 3   PHE A O   1 
ATOM   21   C  CB  . PHE A 1 3   ? -14.855 -2.234  -19.725 1.00 36.60 ? 3   PHE A CB  1 
ATOM   22   C  CG  . PHE A 1 3   ? -13.807 -2.837  -18.877 1.00 35.62 ? 3   PHE A CG  1 
ATOM   23   C  CD1 . PHE A 1 3   ? -13.134 -2.087  -17.942 1.00 35.41 ? 3   PHE A CD1 1 
ATOM   24   C  CD2 . PHE A 1 3   ? -13.516 -4.189  -19.000 1.00 37.28 ? 3   PHE A CD2 1 
ATOM   25   C  CE1 . PHE A 1 3   ? -12.166 -2.667  -17.155 1.00 38.66 ? 3   PHE A CE1 1 
ATOM   26   C  CE2 . PHE A 1 3   ? -12.560 -4.771  -18.224 1.00 36.30 ? 3   PHE A CE2 1 
ATOM   27   C  CZ  . PHE A 1 3   ? -11.878 -4.007  -17.294 1.00 35.98 ? 3   PHE A CZ  1 
ATOM   28   N  N   . GLY A 1 4   ? -15.277 -2.610  -22.762 1.00 35.63 ? 4   GLY A N   1 
ATOM   29   C  CA  . GLY A 1 4   ? -16.347 -2.958  -23.659 1.00 35.98 ? 4   GLY A CA  1 
ATOM   30   C  C   . GLY A 1 4   ? -17.386 -3.700  -22.844 1.00 36.42 ? 4   GLY A C   1 
ATOM   31   O  O   . GLY A 1 4   ? -17.100 -4.168  -21.743 1.00 37.34 ? 4   GLY A O   1 
ATOM   32   N  N   . ARG A 1 5   ? -18.612 -3.776  -23.350 1.00 34.13 ? 5   ARG A N   1 
ATOM   33   C  CA  . ARG A 1 5   ? -19.666 -4.432  -22.579 1.00 33.98 ? 5   ARG A CA  1 
ATOM   34   C  C   . ARG A 1 5   ? -19.334 -5.894  -22.249 1.00 34.82 ? 5   ARG A C   1 
ATOM   35   O  O   . ARG A 1 5   ? -19.339 -6.286  -21.073 1.00 34.02 ? 5   ARG A O   1 
ATOM   36   C  CB  . ARG A 1 5   ? -21.007 -4.290  -23.303 1.00 35.51 ? 5   ARG A CB  1 
ATOM   37   C  CG  . ARG A 1 5   ? -22.166 -4.932  -22.571 1.00 37.00 ? 5   ARG A CG  1 
ATOM   38   C  CD  . ARG A 1 5   ? -23.471 -4.699  -23.314 1.00 34.16 ? 5   ARG A CD  1 
ATOM   39   N  NE  . ARG A 1 5   ? -23.393 -5.210  -24.674 1.00 37.61 ? 5   ARG A NE  1 
ATOM   40   C  CZ  . ARG A 1 5   ? -23.623 -6.474  -24.997 1.00 35.30 ? 5   ARG A CZ  1 
ATOM   41   N  NH1 . ARG A 1 5   ? -23.945 -7.371  -24.079 1.00 35.40 ? 5   ARG A NH1 1 
ATOM   42   N  NH2 . ARG A 1 5   ? -23.527 -6.846  -26.271 1.00 39.74 ? 5   ARG A NH2 1 
ATOM   43   N  N   . CYS A 1 6   ? -18.996 -6.714  -23.259 1.00 39.47 ? 6   CYS A N   1 
ATOM   44   C  CA  . CYS A 1 6   ? -18.694 -8.124  -22.973 1.00 39.39 ? 6   CYS A CA  1 
ATOM   45   C  C   . CYS A 1 6   ? -17.384 -8.314  -22.222 1.00 37.82 ? 6   CYS A C   1 
ATOM   46   O  O   . CYS A 1 6   ? -17.257 -9.257  -21.433 1.00 38.06 ? 6   CYS A O   1 
ATOM   47   C  CB  . CYS A 1 6   ? -18.672 -8.950  -24.260 1.00 40.75 ? 6   CYS A CB  1 
ATOM   48   S  SG  . CYS A 1 6   ? -20.300 -9.157  -25.006 1.00 41.18 ? 6   CYS A SG  1 
ATOM   49   N  N   . GLU A 1 7   ? -16.412 -7.437  -22.443 1.00 38.39 ? 7   GLU A N   1 
ATOM   50   C  CA  . GLU A 1 7   ? -15.150 -7.494  -21.716 1.00 38.20 ? 7   GLU A CA  1 
ATOM   51   C  C   . GLU A 1 7   ? -15.399 -7.324  -20.226 1.00 38.39 ? 7   GLU A C   1 
ATOM   52   O  O   . GLU A 1 7   ? -14.897 -8.099  -19.400 1.00 38.89 ? 7   GLU A O   1 
ATOM   53   C  CB  . GLU A 1 7   ? -14.199 -6.419  -22.254 1.00 39.24 ? 7   GLU A CB  1 
ATOM   54   C  CG  . GLU A 1 7   ? -13.991 -6.385  -23.817 1.00 39.80 ? 7   GLU A CG  1 
ATOM   55   C  CD  . GLU A 1 7   ? -15.282 -6.273  -24.696 1.00 41.89 ? 7   GLU A CD  1 
ATOM   56   O  OE1 . GLU A 1 7   ? -15.188 -6.428  -25.938 1.00 42.60 ? 7   GLU A OE1 1 
ATOM   57   O  OE2 . GLU A 1 7   ? -16.393 -6.072  -24.155 1.00 44.45 ? 7   GLU A OE2 1 
ATOM   58   N  N   . LEU A 1 8   ? -16.246 -6.356  -19.874 1.00 34.01 ? 8   LEU A N   1 
ATOM   59   C  CA  . LEU A 1 8   ? -16.572 -6.141  -18.475 1.00 33.48 ? 8   LEU A CA  1 
ATOM   60   C  C   . LEU A 1 8   ? -17.404 -7.296  -17.946 1.00 33.28 ? 8   LEU A C   1 
ATOM   61   O  O   . LEU A 1 8   ? -17.256 -7.686  -16.785 1.00 33.74 ? 8   LEU A O   1 
ATOM   62   C  CB  . LEU A 1 8   ? -17.319 -4.825  -18.305 1.00 31.18 ? 8   LEU A CB  1 
ATOM   63   C  CG  . LEU A 1 8   ? -17.715 -4.529  -16.857 1.00 32.09 ? 8   LEU A CG  1 
ATOM   64   C  CD1 . LEU A 1 8   ? -16.483 -4.431  -15.977 1.00 33.32 ? 8   LEU A CD1 1 
ATOM   65   C  CD2 . LEU A 1 8   ? -18.560 -3.271  -16.790 1.00 35.15 ? 8   LEU A CD2 1 
ATOM   66   N  N   . ALA A 1 9   ? -18.322 -7.823  -18.757 1.00 31.37 ? 9   ALA A N   1 
ATOM   67   C  CA  . ALA A 1 9   ? -19.112 -8.950  -18.279 1.00 31.02 ? 9   ALA A CA  1 
ATOM   68   C  C   . ALA A 1 9   ? -18.195 -10.115 -17.929 1.00 32.20 ? 9   ALA A C   1 
ATOM   69   O  O   . ALA A 1 9   ? -18.355 -10.752 -16.883 1.00 32.82 ? 9   ALA A O   1 
ATOM   70   C  CB  . ALA A 1 9   ? -20.146 -9.372  -19.322 1.00 35.00 ? 9   ALA A CB  1 
ATOM   71   N  N   . ALA A 1 10  ? -17.210 -10.392 -18.786 1.00 31.72 ? 10  ALA A N   1 
ATOM   72   C  CA  . ALA A 1 10  ? -16.307 -11.505 -18.519 1.00 33.50 ? 10  ALA A CA  1 
ATOM   73   C  C   . ALA A 1 10  ? -15.454 -11.240 -17.293 1.00 33.61 ? 10  ALA A C   1 
ATOM   74   O  O   . ALA A 1 10  ? -15.192 -12.159 -16.508 1.00 34.65 ? 10  ALA A O   1 
ATOM   75   C  CB  . ALA A 1 10  ? -15.409 -11.755 -19.726 1.00 34.78 ? 10  ALA A CB  1 
ATOM   76   N  N   . ALA A 1 11  ? -15.049 -9.983  -17.083 1.00 31.41 ? 11  ALA A N   1 
ATOM   77   C  CA  . ALA A 1 11  ? -14.246 -9.675  -15.908 1.00 32.47 ? 11  ALA A CA  1 
ATOM   78   C  C   . ALA A 1 11  ? -15.074 -9.808  -14.632 1.00 32.47 ? 11  ALA A C   1 
ATOM   79   O  O   . ALA A 1 11  ? -14.624 -10.407 -13.649 1.00 32.29 ? 11  ALA A O   1 
ATOM   80   C  CB  . ALA A 1 11  ? -13.636 -8.277  -16.025 1.00 34.17 ? 11  ALA A CB  1 
ATOM   81   N  N   . MET A 1 12  ? -16.296 -9.267  -14.646 1.00 32.02 ? 12  MET A N   1 
ATOM   82   C  CA  . MET A 1 12  ? -17.211 -9.359  -13.514 1.00 32.50 ? 12  MET A CA  1 
ATOM   83   C  C   . MET A 1 12  ? -17.532 -10.804 -13.187 1.00 33.74 ? 12  MET A C   1 
ATOM   84   O  O   . MET A 1 12  ? -17.629 -11.171 -12.013 1.00 34.20 ? 12  MET A O   1 
ATOM   85   C  CB  . MET A 1 12  ? -18.489 -8.589  -13.833 1.00 32.89 ? 12  MET A CB  1 
ATOM   86   C  CG  . MET A 1 12  ? -18.316 -7.091  -13.778 1.00 31.21 ? 12  MET A CG  1 
ATOM   87   S  SD  . MET A 1 12  ? -19.782 -6.211  -14.320 1.00 30.79 ? 12  MET A SD  1 
ATOM   88   C  CE  . MET A 1 12  ? -19.621 -4.668  -13.406 1.00 34.59 ? 12  MET A CE  1 
ATOM   89   N  N   . LYS A 1 13  ? -17.749 -11.629 -14.209 1.00 34.89 ? 13  LYS A N   1 
ATOM   90   C  CA  . LYS A 1 13  ? -18.012 -13.033 -13.950 1.00 35.23 ? 13  LYS A CA  1 
ATOM   91   C  C   . LYS A 1 13  ? -16.783 -13.725 -13.385 1.00 36.28 ? 13  LYS A C   1 
ATOM   92   O  O   . LYS A 1 13  ? -16.891 -14.482 -12.413 1.00 36.61 ? 13  LYS A O   1 
ATOM   93   C  CB  . LYS A 1 13  ? -18.434 -13.728 -15.239 1.00 33.96 ? 13  LYS A CB  1 
ATOM   94   C  CG  . LYS A 1 13  ? -18.737 -15.205 -15.065 1.00 35.16 ? 13  LYS A CG  1 
ATOM   95   C  CD  . LYS A 1 13  ? -19.225 -15.830 -16.360 1.00 39.37 ? 13  LYS A CD  1 
ATOM   96   C  CE  . LYS A 1 13  ? -19.538 -17.303 -16.178 1.00 48.58 ? 13  LYS A CE  1 
ATOM   97   N  NZ  . LYS A 1 13  ? -20.019 -17.929 -17.444 1.00 51.85 ? 13  LYS A NZ  1 
ATOM   98   N  N   . ARG A 1 14  ? -15.600 -13.434 -13.947 1.00 33.88 ? 14  ARG A N   1 
ATOM   99   C  CA  . ARG A 1 14  ? -14.366 -14.047 -13.460 1.00 33.41 ? 14  ARG A CA  1 
ATOM   100  C  C   . ARG A 1 14  ? -14.091 -13.685 -12.014 1.00 34.10 ? 14  ARG A C   1 
ATOM   101  O  O   . ARG A 1 14  ? -13.571 -14.508 -11.247 1.00 33.56 ? 14  ARG A O   1 
ATOM   102  C  CB  . ARG A 1 14  ? -13.184 -13.659 -14.352 1.00 36.39 ? 14  ARG A CB  1 
ATOM   103  C  CG  . ARG A 1 14  ? -11.836 -14.113 -13.826 1.00 42.98 ? 14  ARG A CG  1 
ATOM   104  C  CD  . ARG A 1 14  ? -10.681 -13.685 -14.736 1.00 47.61 ? 14  ARG A CD  1 
ATOM   105  N  NE  . ARG A 1 14  ? -10.329 -12.269 -14.720 1.00 49.92 ? 14  ARG A NE  1 
ATOM   106  C  CZ  . ARG A 1 14  ? -9.513  -11.716 -13.837 1.00 49.85 ? 14  ARG A CZ  1 
ATOM   107  N  NH1 . ARG A 1 14  ? -8.977  -12.425 -12.857 1.00 53.55 ? 14  ARG A NH1 1 
ATOM   108  N  NH2 . ARG A 1 14  ? -9.186  -10.434 -13.969 1.00 50.31 ? 14  ARG A NH2 1 
ATOM   109  N  N   . HIS A 1 15  ? -14.435 -12.467 -11.622 1.00 35.20 ? 15  HIS A N   1 
ATOM   110  C  CA  . HIS A 1 15  ? -14.253 -12.028 -10.253 1.00 34.79 ? 15  HIS A CA  1 
ATOM   111  C  C   . HIS A 1 15  ? -15.424 -12.437 -9.360  1.00 36.16 ? 15  HIS A C   1 
ATOM   112  O  O   . HIS A 1 15  ? -15.486 -12.003 -8.205  1.00 36.71 ? 15  HIS A O   1 
ATOM   113  C  CB  . HIS A 1 15  ? -14.024 -10.515 -10.231 1.00 36.96 ? 15  HIS A CB  1 
ATOM   114  C  CG  . HIS A 1 15  ? -12.656 -10.117 -10.696 1.00 38.74 ? 15  HIS A CG  1 
ATOM   115  N  ND1 . HIS A 1 15  ? -12.448 -9.395  -11.852 1.00 43.73 ? 15  HIS A ND1 1 
ATOM   116  C  CD2 . HIS A 1 15  ? -11.426 -10.422 -10.219 1.00 39.26 ? 15  HIS A CD2 1 
ATOM   117  C  CE1 . HIS A 1 15  ? -11.151 -9.219  -12.036 1.00 39.66 ? 15  HIS A CE1 1 
ATOM   118  N  NE2 . HIS A 1 15  ? -10.508 -9.836  -11.060 1.00 43.32 ? 15  HIS A NE2 1 
ATOM   119  N  N   . GLY A 1 16  ? -16.325 -13.283 -9.870  1.00 35.55 ? 16  GLY A N   1 
ATOM   120  C  CA  . GLY A 1 16  ? -17.391 -13.862 -9.070  1.00 37.31 ? 16  GLY A CA  1 
ATOM   121  C  C   . GLY A 1 16  ? -18.619 -13.028 -8.795  1.00 37.18 ? 16  GLY A C   1 
ATOM   122  O  O   . GLY A 1 16  ? -19.254 -13.221 -7.754  1.00 37.92 ? 16  GLY A O   1 
ATOM   123  N  N   . LEU A 1 17  ? -18.968 -12.086 -9.671  1.00 33.63 ? 17  LEU A N   1 
ATOM   124  C  CA  . LEU A 1 17  ? -20.194 -11.319 -9.465  1.00 34.73 ? 17  LEU A CA  1 
ATOM   125  C  C   . LEU A 1 17  ? -21.463 -11.951 -10.029 1.00 35.28 ? 17  LEU A C   1 
ATOM   126  O  O   . LEU A 1 17  ? -22.550 -11.595 -9.564  1.00 34.29 ? 17  LEU A O   1 
ATOM   127  C  CB  . LEU A 1 17  ? -20.082 -9.904  -10.047 1.00 33.37 ? 17  LEU A CB  1 
ATOM   128  C  CG  . LEU A 1 17  ? -19.355 -8.822  -9.245  1.00 34.35 ? 17  LEU A CG  1 
ATOM   129  C  CD1 . LEU A 1 17  ? -19.456 -7.493  -9.989  1.00 31.04 ? 17  LEU A CD1 1 
ATOM   130  C  CD2 . LEU A 1 17  ? -19.849 -8.686  -7.803  1.00 32.06 ? 17  LEU A CD2 1 
ATOM   131  N  N   . ASP A 1 18  ? -21.381 -12.854 -11.006 1.00 32.96 ? 18  ASP A N   1 
ATOM   132  C  CA  . ASP A 1 18  ? -22.606 -13.424 -11.565 1.00 34.19 ? 18  ASP A CA  1 
ATOM   133  C  C   . ASP A 1 18  ? -23.373 -14.189 -10.490 1.00 34.83 ? 18  ASP A C   1 
ATOM   134  O  O   . ASP A 1 18  ? -22.878 -15.183 -9.955  1.00 36.10 ? 18  ASP A O   1 
ATOM   135  C  CB  . ASP A 1 18  ? -22.276 -14.355 -12.733 1.00 34.66 ? 18  ASP A CB  1 
ATOM   136  C  CG  . ASP A 1 18  ? -23.528 -14.790 -13.513 1.00 40.34 ? 18  ASP A CG  1 
ATOM   137  O  OD1 . ASP A 1 18  ? -24.631 -14.274 -13.220 1.00 40.41 ? 18  ASP A OD1 1 
ATOM   138  O  OD2 . ASP A 1 18  ? -23.412 -15.677 -14.394 1.00 40.82 ? 18  ASP A OD2 1 
ATOM   139  N  N   . ASN A 1 19  ? -24.571 -13.700 -10.156 1.00 32.31 ? 19  ASN A N   1 
ATOM   140  C  CA  . ASN A 1 19  ? -25.424 -14.259 -9.111  1.00 31.48 ? 19  ASN A CA  1 
ATOM   141  C  C   . ASN A 1 19  ? -24.860 -14.031 -7.725  1.00 29.80 ? 19  ASN A C   1 
ATOM   142  O  O   . ASN A 1 19  ? -25.222 -14.740 -6.784  1.00 29.58 ? 19  ASN A O   1 
ATOM   143  C  CB  . ASN A 1 19  ? -25.813 -15.726 -9.309  1.00 39.49 ? 19  ASN A CB  1 
ATOM   144  C  CG  . ASN A 1 19  ? -26.748 -15.924 -10.483 1.00 50.21 ? 19  ASN A CG  1 
ATOM   145  O  OD1 . ASN A 1 19  ? -26.453 -16.668 -11.416 1.00 57.07 ? 19  ASN A OD1 1 
ATOM   146  N  ND2 . ASN A 1 19  ? -27.902 -15.246 -10.437 1.00 54.11 ? 19  ASN A ND2 1 
ATOM   147  N  N   . TYR A 1 20  ? -23.972 -13.072 -7.564  1.00 30.36 ? 20  TYR A N   1 
ATOM   148  C  CA  . TYR A 1 20  ? -23.501 -12.810 -6.224  1.00 30.79 ? 20  TYR A CA  1 
ATOM   149  C  C   . TYR A 1 20  ? -24.661 -12.160 -5.487  1.00 30.56 ? 20  TYR A C   1 
ATOM   150  O  O   . TYR A 1 20  ? -25.203 -11.152 -5.951  1.00 29.74 ? 20  TYR A O   1 
ATOM   151  C  CB  . TYR A 1 20  ? -22.284 -11.902 -6.274  1.00 30.33 ? 20  TYR A CB  1 
ATOM   152  C  CG  . TYR A 1 20  ? -21.646 -11.790 -4.934  1.00 30.44 ? 20  TYR A CG  1 
ATOM   153  C  CD1 . TYR A 1 20  ? -22.089 -10.832 -4.025  1.00 30.55 ? 20  TYR A CD1 1 
ATOM   154  C  CD2 . TYR A 1 20  ? -20.632 -12.664 -4.543  1.00 30.50 ? 20  TYR A CD2 1 
ATOM   155  C  CE1 . TYR A 1 20  ? -21.532 -10.728 -2.770  1.00 31.81 ? 20  TYR A CE1 1 
ATOM   156  C  CE2 . TYR A 1 20  ? -20.062 -12.563 -3.285  1.00 32.18 ? 20  TYR A CE2 1 
ATOM   157  C  CZ  . TYR A 1 20  ? -20.518 -11.594 -2.403  1.00 33.73 ? 20  TYR A CZ  1 
ATOM   158  O  OH  . TYR A 1 20  ? -19.971 -11.481 -1.148  1.00 35.31 ? 20  TYR A OH  1 
ATOM   159  N  N   . ARG A 1 21  ? -25.082 -12.764 -4.371  1.00 29.74 ? 21  ARG A N   1 
ATOM   160  C  CA  . ARG A 1 21  ? -26.283 -12.313 -3.656  1.00 30.52 ? 21  ARG A CA  1 
ATOM   161  C  C   . ARG A 1 21  ? -27.536 -12.364 -4.531  1.00 29.74 ? 21  ARG A C   1 
ATOM   162  O  O   . ARG A 1 21  ? -28.475 -11.599 -4.331  1.00 29.59 ? 21  ARG A O   1 
ATOM   163  C  CB  . ARG A 1 21  ? -26.087 -10.942 -2.997  1.00 33.40 ? 21  ARG A CB  1 
ATOM   164  C  CG  . ARG A 1 21  ? -25.108 -10.969 -1.820  1.00 42.22 ? 21  ARG A CG  1 
ATOM   165  C  CD  . ARG A 1 21  ? -25.990 -10.926 -0.555  1.00 53.05 ? 21  ARG A CD  1 
ATOM   166  N  NE  . ARG A 1 21  ? -25.632 -11.823 0.538   1.00 56.11 ? 21  ARG A NE  1 
ATOM   167  C  CZ  . ARG A 1 21  ? -26.534 -12.489 1.255   1.00 59.29 ? 21  ARG A CZ  1 
ATOM   168  N  NH1 . ARG A 1 21  ? -27.833 -12.313 1.065   1.00 59.82 ? 21  ARG A NH1 1 
ATOM   169  N  NH2 . ARG A 1 21  ? -26.122 -13.352 2.183   1.00 60.27 ? 21  ARG A NH2 1 
ATOM   170  N  N   . GLY A 1 22  ? -27.550 -13.246 -5.525  1.00 30.86 ? 22  GLY A N   1 
ATOM   171  C  CA  . GLY A 1 22  ? -28.718 -13.404 -6.365  1.00 29.94 ? 22  GLY A CA  1 
ATOM   172  C  C   . GLY A 1 22  ? -28.888 -12.395 -7.477  1.00 29.64 ? 22  GLY A C   1 
ATOM   173  O  O   . GLY A 1 22  ? -29.942 -12.394 -8.129  1.00 30.67 ? 22  GLY A O   1 
ATOM   174  N  N   . TYR A 1 23  ? -27.896 -11.548 -7.728  1.00 25.17 ? 23  TYR A N   1 
ATOM   175  C  CA  . TYR A 1 23  ? -28.010 -10.541 -8.767  1.00 24.95 ? 23  TYR A CA  1 
ATOM   176  C  C   . TYR A 1 23  ? -27.345 -11.098 -10.012 1.00 24.46 ? 23  TYR A C   1 
ATOM   177  O  O   . TYR A 1 23  ? -26.134 -11.340 -10.014 1.00 25.77 ? 23  TYR A O   1 
ATOM   178  C  CB  . TYR A 1 23  ? -27.352 -9.222  -8.352  1.00 24.23 ? 23  TYR A CB  1 
ATOM   179  C  CG  . TYR A 1 23  ? -28.153 -8.511  -7.305  1.00 23.63 ? 23  TYR A CG  1 
ATOM   180  C  CD1 . TYR A 1 23  ? -29.220 -7.682  -7.656  1.00 22.84 ? 23  TYR A CD1 1 
ATOM   181  C  CD2 . TYR A 1 23  ? -27.870 -8.692  -5.959  1.00 23.89 ? 23  TYR A CD2 1 
ATOM   182  C  CE1 . TYR A 1 23  ? -29.972 -7.064  -6.691  1.00 23.25 ? 23  TYR A CE1 1 
ATOM   183  C  CE2 . TYR A 1 23  ? -28.616 -8.067  -4.986  1.00 23.75 ? 23  TYR A CE2 1 
ATOM   184  C  CZ  . TYR A 1 23  ? -29.664 -7.260  -5.351  1.00 23.98 ? 23  TYR A CZ  1 
ATOM   185  O  OH  . TYR A 1 23  ? -30.395 -6.639  -4.366  1.00 23.67 ? 23  TYR A OH  1 
ATOM   186  N  N   . SER A 1 24  ? -28.126 -11.276 -11.070 1.00 26.38 ? 24  SER A N   1 
ATOM   187  C  CA  . SER A 1 24  ? -27.540 -11.847 -12.261 1.00 27.27 ? 24  SER A CA  1 
ATOM   188  C  C   . SER A 1 24  ? -26.517 -10.875 -12.836 1.00 27.16 ? 24  SER A C   1 
ATOM   189  O  O   . SER A 1 24  ? -26.546 -9.667  -12.571 1.00 27.53 ? 24  SER A O   1 
ATOM   190  C  CB  . SER A 1 24  ? -28.615 -12.166 -13.292 1.00 27.21 ? 24  SER A CB  1 
ATOM   191  O  OG  . SER A 1 24  ? -29.210 -10.978 -13.787 1.00 28.36 ? 24  SER A OG  1 
ATOM   192  N  N   . LEU A 1 25  ? -25.614 -11.429 -13.645 1.00 30.07 ? 25  LEU A N   1 
ATOM   193  C  CA  . LEU A 1 25  ? -24.529 -10.664 -14.252 1.00 29.59 ? 25  LEU A CA  1 
ATOM   194  C  C   . LEU A 1 25  ? -25.039 -9.420  -14.979 1.00 29.47 ? 25  LEU A C   1 
ATOM   195  O  O   . LEU A 1 25  ? -24.404 -8.355  -14.940 1.00 28.56 ? 25  LEU A O   1 
ATOM   196  C  CB  . LEU A 1 25  ? -23.737 -11.576 -15.182 1.00 29.71 ? 25  LEU A CB  1 
ATOM   197  C  CG  . LEU A 1 25  ? -22.435 -11.001 -15.711 1.00 29.73 ? 25  LEU A CG  1 
ATOM   198  C  CD1 . LEU A 1 25  ? -21.496 -10.664 -14.554 1.00 32.75 ? 25  LEU A CD1 1 
ATOM   199  C  CD2 . LEU A 1 25  ? -21.812 -12.061 -16.618 1.00 30.09 ? 25  LEU A CD2 1 
ATOM   200  N  N   . GLY A 1 26  ? -26.193 -9.531  -15.631 1.00 28.01 ? 26  GLY A N   1 
ATOM   201  C  CA  . GLY A 1 26  ? -26.733 -8.399  -16.351 1.00 28.23 ? 26  GLY A CA  1 
ATOM   202  C  C   . GLY A 1 26  ? -26.998 -7.214  -15.444 1.00 26.98 ? 26  GLY A C   1 
ATOM   203  O  O   . GLY A 1 26  ? -26.841 -6.063  -15.857 1.00 27.27 ? 26  GLY A O   1 
ATOM   204  N  N   . ASN A 1 27  ? -27.397 -7.475  -14.200 1.00 27.63 ? 27  ASN A N   1 
ATOM   205  C  CA  . ASN A 1 27  ? -27.576 -6.394  -13.241 1.00 27.14 ? 27  ASN A CA  1 
ATOM   206  C  C   . ASN A 1 27  ? -26.289 -5.616  -13.033 1.00 28.36 ? 27  ASN A C   1 
ATOM   207  O  O   . ASN A 1 27  ? -26.297 -4.381  -13.033 1.00 27.94 ? 27  ASN A O   1 
ATOM   208  C  CB  . ASN A 1 27  ? -28.050 -6.966  -11.911 1.00 26.97 ? 27  ASN A CB  1 
ATOM   209  C  CG  . ASN A 1 27  ? -29.537 -7.280  -11.915 1.00 29.73 ? 27  ASN A CG  1 
ATOM   210  O  OD1 . ASN A 1 27  ? -30.378 -6.383  -11.864 1.00 28.99 ? 27  ASN A OD1 1 
ATOM   211  N  ND2 . ASN A 1 27  ? -29.863 -8.567  -11.988 1.00 29.22 ? 27  ASN A ND2 1 
ATOM   212  N  N   . TRP A 1 28  ? -25.166 -6.324  -12.899 1.00 27.91 ? 28  TRP A N   1 
ATOM   213  C  CA  . TRP A 1 28  ? -23.882 -5.672  -12.676 1.00 27.39 ? 28  TRP A CA  1 
ATOM   214  C  C   . TRP A 1 28  ? -23.393 -4.928  -13.918 1.00 27.41 ? 28  TRP A C   1 
ATOM   215  O  O   . TRP A 1 28  ? -22.874 -3.810  -13.809 1.00 27.87 ? 28  TRP A O   1 
ATOM   216  C  CB  . TRP A 1 28  ? -22.873 -6.725  -12.244 1.00 29.45 ? 28  TRP A CB  1 
ATOM   217  C  CG  . TRP A 1 28  ? -23.252 -7.351  -10.941 1.00 27.02 ? 28  TRP A CG  1 
ATOM   218  C  CD1 . TRP A 1 28  ? -23.810 -8.591  -10.752 1.00 28.19 ? 28  TRP A CD1 1 
ATOM   219  C  CD2 . TRP A 1 28  ? -23.141 -6.762  -9.648  1.00 29.49 ? 28  TRP A CD2 1 
ATOM   220  N  NE1 . TRP A 1 28  ? -24.029 -8.813  -9.416  1.00 28.20 ? 28  TRP A NE1 1 
ATOM   221  C  CE2 . TRP A 1 28  ? -23.629 -7.706  -8.715  1.00 28.31 ? 28  TRP A CE2 1 
ATOM   222  C  CE3 . TRP A 1 28  ? -22.663 -5.532  -9.181  1.00 29.38 ? 28  TRP A CE3 1 
ATOM   223  C  CZ2 . TRP A 1 28  ? -23.652 -7.455  -7.345  1.00 28.48 ? 28  TRP A CZ2 1 
ATOM   224  C  CZ3 . TRP A 1 28  ? -22.683 -5.288  -7.825  1.00 29.22 ? 28  TRP A CZ3 1 
ATOM   225  C  CH2 . TRP A 1 28  ? -23.173 -6.242  -6.919  1.00 29.79 ? 28  TRP A CH2 1 
ATOM   226  N  N   . VAL A 1 29  ? -23.586 -5.500  -15.111 1.00 28.28 ? 29  VAL A N   1 
ATOM   227  C  CA  . VAL A 1 29  ? -23.176 -4.783  -16.321 1.00 28.35 ? 29  VAL A CA  1 
ATOM   228  C  C   . VAL A 1 29  ? -24.025 -3.536  -16.507 1.00 28.81 ? 29  VAL A C   1 
ATOM   229  O  O   . VAL A 1 29  ? -23.516 -2.468  -16.866 1.00 28.84 ? 29  VAL A O   1 
ATOM   230  C  CB  . VAL A 1 29  ? -23.248 -5.700  -17.555 1.00 29.22 ? 29  VAL A CB  1 
ATOM   231  C  CG1 . VAL A 1 29  ? -22.916 -4.924  -18.830 1.00 30.63 ? 29  VAL A CG1 1 
ATOM   232  C  CG2 . VAL A 1 29  ? -22.316 -6.909  -17.381 1.00 29.52 ? 29  VAL A CG2 1 
ATOM   233  N  N   . CYS A 1 30  ? -25.333 -3.655  -16.292 1.00 30.28 ? 30  CYS A N   1 
ATOM   234  C  CA  . CYS A 1 30  ? -26.214 -2.504  -16.396 1.00 30.10 ? 30  CYS A CA  1 
ATOM   235  C  C   . CYS A 1 30  ? -25.830 -1.423  -15.395 1.00 30.09 ? 30  CYS A C   1 
ATOM   236  O  O   . CYS A 1 30  ? -25.767 -0.228  -15.734 1.00 29.39 ? 30  CYS A O   1 
ATOM   237  C  CB  . CYS A 1 30  ? -27.652 -2.963  -16.165 1.00 31.37 ? 30  CYS A CB  1 
ATOM   238  S  SG  . CYS A 1 30  ? -28.900 -1.672  -16.323 1.00 29.96 ? 30  CYS A SG  1 
ATOM   239  N  N   . ALA A 1 31  ? -25.579 -1.823  -14.144 1.00 30.04 ? 31  ALA A N   1 
ATOM   240  C  CA  . ALA A 1 31  ? -25.195 -0.854  -13.128 1.00 28.89 ? 31  ALA A CA  1 
ATOM   241  C  C   . ALA A 1 31  ? -23.916 -0.131  -13.513 1.00 29.75 ? 31  ALA A C   1 
ATOM   242  O  O   . ALA A 1 31  ? -23.842 1.097   -13.423 1.00 30.20 ? 31  ALA A O   1 
ATOM   243  C  CB  . ALA A 1 31  ? -25.022 -1.552  -11.780 1.00 30.94 ? 31  ALA A CB  1 
ATOM   244  N  N   . ALA A 1 32  ? -22.901 -0.874  -13.968 1.00 30.19 ? 32  ALA A N   1 
ATOM   245  C  CA  . ALA A 1 32  ? -21.665 -0.221  -14.381 1.00 30.45 ? 32  ALA A CA  1 
ATOM   246  C  C   . ALA A 1 32  ? -21.890 0.696   -15.573 1.00 30.27 ? 32  ALA A C   1 
ATOM   247  O  O   . ALA A 1 32  ? -21.333 1.801   -15.623 1.00 29.15 ? 32  ALA A O   1 
ATOM   248  C  CB  . ALA A 1 32  ? -20.598 -1.259  -14.711 1.00 28.87 ? 32  ALA A CB  1 
ATOM   249  N  N   . LYS A 1 33  ? -22.746 0.288   -16.515 1.00 29.27 ? 33  LYS A N   1 
ATOM   250  C  CA  . LYS A 1 33  ? -23.025 1.134   -17.673 1.00 29.61 ? 33  LYS A CA  1 
ATOM   251  C  C   . LYS A 1 33  ? -23.592 2.484   -17.259 1.00 29.78 ? 33  LYS A C   1 
ATOM   252  O  O   . LYS A 1 33  ? -23.124 3.533   -17.713 1.00 30.66 ? 33  LYS A O   1 
ATOM   253  C  CB  . LYS A 1 33  ? -23.996 0.441   -18.626 1.00 31.25 ? 33  LYS A CB  1 
ATOM   254  C  CG  . LYS A 1 33  ? -24.568 1.387   -19.668 1.00 35.00 ? 33  LYS A CG  1 
ATOM   255  C  CD  . LYS A 1 33  ? -23.520 1.731   -20.726 1.00 35.23 ? 33  LYS A CD  1 
ATOM   256  C  CE  . LYS A 1 33  ? -24.089 2.649   -21.813 1.00 41.50 ? 33  LYS A CE  1 
ATOM   257  N  NZ  . LYS A 1 33  ? -23.056 2.972   -22.848 1.00 41.60 ? 33  LYS A NZ  1 
ATOM   258  N  N   . PHE A 1 34  ? -24.604 2.480   -16.398 1.00 28.24 ? 34  PHE A N   1 
ATOM   259  C  CA  . PHE A 1 34  ? -25.229 3.753   -16.057 1.00 28.03 ? 34  PHE A CA  1 
ATOM   260  C  C   . PHE A 1 34  ? -24.519 4.505   -14.948 1.00 30.55 ? 34  PHE A C   1 
ATOM   261  O  O   . PHE A 1 34  ? -24.737 5.710   -14.804 1.00 31.33 ? 34  PHE A O   1 
ATOM   262  C  CB  . PHE A 1 34  ? -26.696 3.555   -15.727 1.00 27.49 ? 34  PHE A CB  1 
ATOM   263  C  CG  . PHE A 1 34  ? -27.468 3.036   -16.881 1.00 27.82 ? 34  PHE A CG  1 
ATOM   264  C  CD1 . PHE A 1 34  ? -27.447 3.739   -18.084 1.00 27.45 ? 34  PHE A CD1 1 
ATOM   265  C  CD2 . PHE A 1 34  ? -28.211 1.872   -16.790 1.00 29.61 ? 34  PHE A CD2 1 
ATOM   266  C  CE1 . PHE A 1 34  ? -28.150 3.287   -19.177 1.00 28.24 ? 34  PHE A CE1 1 
ATOM   267  C  CE2 . PHE A 1 34  ? -28.925 1.409   -17.880 1.00 31.87 ? 34  PHE A CE2 1 
ATOM   268  C  CZ  . PHE A 1 34  ? -28.890 2.113   -19.080 1.00 30.78 ? 34  PHE A CZ  1 
ATOM   269  N  N   . GLU A 1 35  ? -23.660 3.841   -14.181 1.00 34.11 ? 35  GLU A N   1 
ATOM   270  C  CA  . GLU A 1 35  ? -22.930 4.547   -13.143 1.00 34.12 ? 35  GLU A CA  1 
ATOM   271  C  C   . GLU A 1 35  ? -21.701 5.234   -13.713 1.00 34.62 ? 35  GLU A C   1 
ATOM   272  O  O   . GLU A 1 35  ? -21.432 6.392   -13.384 1.00 35.03 ? 35  GLU A O   1 
ATOM   273  C  CB  . GLU A 1 35  ? -22.519 3.572   -12.030 1.00 36.20 ? 35  GLU A CB  1 
ATOM   274  C  CG  . GLU A 1 35  ? -23.671 3.071   -11.135 1.00 32.61 ? 35  GLU A CG  1 
ATOM   275  C  CD  . GLU A 1 35  ? -24.314 4.133   -10.241 1.00 34.21 ? 35  GLU A CD  1 
ATOM   276  O  OE1 . GLU A 1 35  ? -25.121 3.745   -9.367  1.00 34.16 ? 35  GLU A OE1 1 
ATOM   277  O  OE2 . GLU A 1 35  ? -24.029 5.346   -10.387 1.00 34.41 ? 35  GLU A OE2 1 
ATOM   278  N  N   . SER A 1 36  ? -20.967 4.552   -14.594 1.00 31.17 ? 36  SER A N   1 
ATOM   279  C  CA  . SER A 1 36  ? -19.687 5.051   -15.062 1.00 31.85 ? 36  SER A CA  1 
ATOM   280  C  C   . SER A 1 36  ? -19.504 4.993   -16.570 1.00 31.39 ? 36  SER A C   1 
ATOM   281  O  O   . SER A 1 36  ? -18.451 5.418   -17.055 1.00 32.26 ? 36  SER A O   1 
ATOM   282  C  CB  . SER A 1 36  ? -18.545 4.275   -14.384 1.00 32.32 ? 36  SER A CB  1 
ATOM   283  O  OG  . SER A 1 36  ? -18.508 2.933   -14.844 1.00 29.68 ? 36  SER A OG  1 
ATOM   284  N  N   . ASN A 1 37  ? -20.489 4.495   -17.325 1.00 32.13 ? 37  ASN A N   1 
ATOM   285  C  CA  . ASN A 1 37  ? -20.352 4.284   -18.770 1.00 33.32 ? 37  ASN A CA  1 
ATOM   286  C  C   . ASN A 1 37  ? -19.175 3.370   -19.105 1.00 33.64 ? 37  ASN A C   1 
ATOM   287  O  O   . ASN A 1 37  ? -18.522 3.543   -20.136 1.00 35.03 ? 37  ASN A O   1 
ATOM   288  C  CB  . ASN A 1 37  ? -20.232 5.616   -19.515 1.00 38.16 ? 37  ASN A CB  1 
ATOM   289  C  CG  . ASN A 1 37  ? -20.658 5.511   -20.963 1.00 41.80 ? 37  ASN A CG  1 
ATOM   290  O  OD1 . ASN A 1 37  ? -21.395 4.597   -21.339 1.00 40.73 ? 37  ASN A OD1 1 
ATOM   291  N  ND2 . ASN A 1 37  ? -20.195 6.448   -21.789 1.00 45.73 ? 37  ASN A ND2 1 
ATOM   292  N  N   . PHE A 1 38  ? -18.905 2.397   -18.227 1.00 33.60 ? 38  PHE A N   1 
ATOM   293  C  CA  . PHE A 1 38  ? -17.830 1.412   -18.361 1.00 33.04 ? 38  PHE A CA  1 
ATOM   294  C  C   . PHE A 1 38  ? -16.449 2.036   -18.250 1.00 33.60 ? 38  PHE A C   1 
ATOM   295  O  O   . PHE A 1 38  ? -15.467 1.439   -18.697 1.00 32.53 ? 38  PHE A O   1 
ATOM   296  C  CB  . PHE A 1 38  ? -17.903 0.611   -19.675 1.00 32.19 ? 38  PHE A CB  1 
ATOM   297  C  CG  . PHE A 1 38  ? -19.218 -0.089  -19.927 1.00 32.18 ? 38  PHE A CG  1 
ATOM   298  C  CD1 . PHE A 1 38  ? -19.915 -0.695  -18.892 1.00 32.78 ? 38  PHE A CD1 1 
ATOM   299  C  CD2 . PHE A 1 38  ? -19.746 -0.155  -21.212 1.00 35.87 ? 38  PHE A CD2 1 
ATOM   300  C  CE1 . PHE A 1 38  ? -21.114 -1.358  -19.132 1.00 33.25 ? 38  PHE A CE1 1 
ATOM   301  C  CE2 . PHE A 1 38  ? -20.954 -0.808  -21.460 1.00 33.67 ? 38  PHE A CE2 1 
ATOM   302  C  CZ  . PHE A 1 38  ? -21.640 -1.408  -20.418 1.00 31.35 ? 38  PHE A CZ  1 
ATOM   303  N  N   . ASN A 1 39  ? -16.343 3.212   -17.637 1.00 29.10 ? 39  ASN A N   1 
ATOM   304  C  CA  . ASN A 1 39  ? -15.074 3.923   -17.514 1.00 29.52 ? 39  ASN A CA  1 
ATOM   305  C  C   . ASN A 1 39  ? -14.523 3.677   -16.118 1.00 29.49 ? 39  ASN A C   1 
ATOM   306  O  O   . ASN A 1 39  ? -15.091 4.150   -15.129 1.00 29.89 ? 39  ASN A O   1 
ATOM   307  C  CB  . ASN A 1 39  ? -15.296 5.415   -17.759 1.00 30.94 ? 39  ASN A CB  1 
ATOM   308  C  CG  . ASN A 1 39  ? -14.003 6.198   -17.886 1.00 29.35 ? 39  ASN A CG  1 
ATOM   309  O  OD1 . ASN A 1 39  ? -12.928 5.731   -17.496 1.00 30.37 ? 39  ASN A OD1 1 
ATOM   310  N  ND2 . ASN A 1 39  ? -14.106 7.415   -18.423 1.00 34.40 ? 39  ASN A ND2 1 
ATOM   311  N  N   . THR A 1 40  ? -13.417 2.942   -16.030 1.00 32.25 ? 40  THR A N   1 
ATOM   312  C  CA  . THR A 1 40  ? -12.849 2.684   -14.715 1.00 31.51 ? 40  THR A CA  1 
ATOM   313  C  C   . THR A 1 40  ? -12.345 3.946   -14.009 1.00 31.68 ? 40  THR A C   1 
ATOM   314  O  O   . THR A 1 40  ? -12.231 3.949   -12.780 1.00 32.27 ? 40  THR A O   1 
ATOM   315  C  CB  . THR A 1 40  ? -11.739 1.654   -14.784 1.00 32.54 ? 40  THR A CB  1 
ATOM   316  O  OG1 . THR A 1 40  ? -12.083 0.646   -15.742 1.00 34.83 ? 40  THR A OG1 1 
ATOM   317  C  CG2 . THR A 1 40  ? -11.727 0.975   -13.451 1.00 32.74 ? 40  THR A CG2 1 
ATOM   318  N  N   . GLN A 1 41  ? -11.999 5.000   -14.744 1.00 29.65 ? 41  GLN A N   1 
ATOM   319  C  CA  . GLN A 1 41  ? -11.462 6.217   -14.135 1.00 30.29 ? 41  GLN A CA  1 
ATOM   320  C  C   . GLN A 1 41  ? -12.546 7.218   -13.764 1.00 29.77 ? 41  GLN A C   1 
ATOM   321  O  O   . GLN A 1 41  ? -12.222 8.332   -13.342 1.00 31.20 ? 41  GLN A O   1 
ATOM   322  C  CB  . GLN A 1 41  ? -10.439 6.876   -15.063 1.00 33.55 ? 41  GLN A CB  1 
ATOM   323  C  CG  . GLN A 1 41  ? -9.332  5.946   -15.530 1.00 30.35 ? 41  GLN A CG  1 
ATOM   324  C  CD  . GLN A 1 41  ? -8.176  6.691   -16.168 1.00 35.58 ? 41  GLN A CD  1 
ATOM   325  O  OE1 . GLN A 1 41  ? -7.420  7.387   -15.490 1.00 35.25 ? 41  GLN A OE1 1 
ATOM   326  N  NE2 . GLN A 1 41  ? -8.062  6.589   -17.487 1.00 31.84 ? 41  GLN A NE2 1 
ATOM   327  N  N   . ALA A 1 42  ? -13.815 6.853   -13.917 1.00 30.24 ? 42  ALA A N   1 
ATOM   328  C  CA  . ALA A 1 42  ? -14.903 7.776   -13.617 1.00 29.86 ? 42  ALA A CA  1 
ATOM   329  C  C   . ALA A 1 42  ? -14.887 8.168   -12.146 1.00 30.43 ? 42  ALA A C   1 
ATOM   330  O  O   . ALA A 1 42  ? -14.747 7.316   -11.262 1.00 31.22 ? 42  ALA A O   1 
ATOM   331  C  CB  . ALA A 1 42  ? -16.241 7.135   -13.982 1.00 30.69 ? 42  ALA A CB  1 
ATOM   332  N  N   . THR A 1 43  ? -15.014 9.472   -11.894 1.00 29.61 ? 43  THR A N   1 
ATOM   333  C  CA  . THR A 1 43  ? -15.122 10.061  -10.565 1.00 30.75 ? 43  THR A CA  1 
ATOM   334  C  C   . THR A 1 43  ? -16.216 11.114  -10.559 1.00 30.30 ? 43  THR A C   1 
ATOM   335  O  O   . THR A 1 43  ? -16.393 11.826  -11.551 1.00 30.74 ? 43  THR A O   1 
ATOM   336  C  CB  . THR A 1 43  ? -13.811 10.728  -10.119 1.00 33.14 ? 43  THR A CB  1 
ATOM   337  O  OG1 . THR A 1 43  ? -13.494 11.795  -11.019 1.00 32.60 ? 43  THR A OG1 1 
ATOM   338  C  CG2 . THR A 1 43  ? -12.668 9.722   -10.111 1.00 32.44 ? 43  THR A CG2 1 
ATOM   339  N  N   . ASN A 1 44  ? -17.009 11.159  -9.490  1.00 30.39 ? 44  ASN A N   1 
ATOM   340  C  CA  . ASN A 1 44  ? -18.076 12.160  -9.419  1.00 30.62 ? 44  ASN A CA  1 
ATOM   341  C  C   . ASN A 1 44  ? -18.262 12.690  -8.006  1.00 31.59 ? 44  ASN A C   1 
ATOM   342  O  O   . ASN A 1 44  ? -18.444 11.913  -7.068  1.00 32.42 ? 44  ASN A O   1 
ATOM   343  C  CB  . ASN A 1 44  ? -19.410 11.603  -9.933  1.00 31.90 ? 44  ASN A CB  1 
ATOM   344  C  CG  . ASN A 1 44  ? -19.409 11.377  -11.430 1.00 34.27 ? 44  ASN A CG  1 
ATOM   345  O  OD1 . ASN A 1 44  ? -19.394 12.334  -12.213 1.00 37.06 ? 44  ASN A OD1 1 
ATOM   346  N  ND2 . ASN A 1 44  ? -19.415 10.108  -11.840 1.00 33.56 ? 44  ASN A ND2 1 
ATOM   347  N  N   . ARG A 1 45  ? -18.202 14.008  -7.849  1.00 29.98 ? 45  ARG A N   1 
ATOM   348  C  CA  . ARG A 1 45  ? -18.391 14.606  -6.537  1.00 30.17 ? 45  ARG A CA  1 
ATOM   349  C  C   . ARG A 1 45  ? -19.855 14.637  -6.119  1.00 31.65 ? 45  ARG A C   1 
ATOM   350  O  O   . ARG A 1 45  ? -20.738 14.968  -6.915  1.00 32.20 ? 45  ARG A O   1 
ATOM   351  C  CB  . ARG A 1 45  ? -17.901 16.049  -6.516  1.00 33.60 ? 45  ARG A CB  1 
ATOM   352  C  CG  . ARG A 1 45  ? -17.730 16.577  -5.102  1.00 29.92 ? 45  ARG A CG  1 
ATOM   353  C  CD  . ARG A 1 45  ? -16.528 16.079  -4.390  1.00 39.29 ? 45  ARG A CD  1 
ATOM   354  N  NE  . ARG A 1 45  ? -15.401 16.911  -4.777  1.00 44.82 ? 45  ARG A NE  1 
ATOM   355  C  CZ  . ARG A 1 45  ? -14.658 17.577  -3.908  1.00 41.93 ? 45  ARG A CZ  1 
ATOM   356  N  NH1 . ARG A 1 45  ? -14.875 17.483  -2.605  1.00 46.59 ? 45  ARG A NH1 1 
ATOM   357  N  NH2 . ARG A 1 45  ? -13.682 18.365  -4.357  1.00 43.04 ? 45  ARG A NH2 1 
ATOM   358  N  N   . ASN A 1 46  ? -20.109 14.279  -4.870  1.00 33.13 ? 46  ASN A N   1 
ATOM   359  C  CA  . ASN A 1 46  ? -21.444 14.355  -4.310  1.00 34.64 ? 46  ASN A CA  1 
ATOM   360  C  C   . ASN A 1 46  ? -21.578 15.682  -3.583  1.00 35.35 ? 46  ASN A C   1 
ATOM   361  O  O   . ASN A 1 46  ? -20.585 16.310  -3.203  1.00 36.25 ? 46  ASN A O   1 
ATOM   362  C  CB  . ASN A 1 46  ? -21.720 13.186  -3.373  1.00 33.47 ? 46  ASN A CB  1 
ATOM   363  C  CG  . ASN A 1 46  ? -21.567 11.863  -4.070  1.00 39.18 ? 46  ASN A CG  1 
ATOM   364  O  OD1 . ASN A 1 46  ? -20.923 10.951  -3.554  1.00 39.35 ? 46  ASN A OD1 1 
ATOM   365  N  ND2 . ASN A 1 46  ? -22.122 11.761  -5.274  1.00 40.33 ? 46  ASN A ND2 1 
ATOM   366  N  N   . THR A 1 47  ? -22.823 16.109  -3.390  1.00 40.56 ? 47  THR A N   1 
ATOM   367  C  CA  . THR A 1 47  ? -23.060 17.355  -2.672  1.00 41.26 ? 47  THR A CA  1 
ATOM   368  C  C   . THR A 1 47  ? -22.582 17.304  -1.216  1.00 41.65 ? 47  THR A C   1 
ATOM   369  O  O   . THR A 1 47  ? -22.133 18.328  -0.685  1.00 42.43 ? 47  THR A O   1 
ATOM   370  C  CB  . THR A 1 47  ? -24.550 17.707  -2.762  1.00 48.01 ? 47  THR A CB  1 
ATOM   371  O  OG1 . THR A 1 47  ? -24.812 18.336  -4.023  1.00 50.34 ? 47  THR A OG1 1 
ATOM   372  C  CG2 . THR A 1 47  ? -24.964 18.663  -1.662  1.00 49.22 ? 47  THR A CG2 1 
ATOM   373  N  N   . ASP A 1 48  ? -22.566 16.123  -0.582  1.00 41.46 ? 48  ASP A N   1 
ATOM   374  C  CA  . ASP A 1 48  ? -22.121 16.053  0.810   1.00 40.93 ? 48  ASP A CA  1 
ATOM   375  C  C   . ASP A 1 48  ? -20.608 16.044  0.926   1.00 40.91 ? 48  ASP A C   1 
ATOM   376  O  O   . ASP A 1 48  ? -20.088 15.920  2.039   1.00 41.55 ? 48  ASP A O   1 
ATOM   377  C  CB  . ASP A 1 48  ? -22.630 14.805  1.545   1.00 39.27 ? 48  ASP A CB  1 
ATOM   378  C  CG  . ASP A 1 48  ? -21.924 13.522  1.097   1.00 39.62 ? 48  ASP A CG  1 
ATOM   379  O  OD1 . ASP A 1 48  ? -21.218 12.916  1.945   1.00 45.94 ? 48  ASP A OD1 1 
ATOM   380  O  OD2 . ASP A 1 48  ? -22.032 13.145  -0.087  1.00 36.64 ? 48  ASP A OD2 1 
ATOM   381  N  N   . GLY A 1 49  ? -19.897 16.173  -0.186  1.00 37.09 ? 49  GLY A N   1 
ATOM   382  C  CA  . GLY A 1 49  ? -18.458 16.216  -0.168  1.00 38.29 ? 49  GLY A CA  1 
ATOM   383  C  C   . GLY A 1 49  ? -17.819 14.869  -0.336  1.00 36.91 ? 49  GLY A C   1 
ATOM   384  O  O   . GLY A 1 49  ? -16.581 14.784  -0.393  1.00 37.90 ? 49  GLY A O   1 
ATOM   385  N  N   . SER A 1 50  ? -18.614 13.809  -0.411  1.00 37.15 ? 50  SER A N   1 
ATOM   386  C  CA  . SER A 1 50  ? -17.990 12.537  -0.700  1.00 36.08 ? 50  SER A CA  1 
ATOM   387  C  C   . SER A 1 50  ? -17.744 12.458  -2.200  1.00 35.20 ? 50  SER A C   1 
ATOM   388  O  O   . SER A 1 50  ? -18.174 13.317  -2.972  1.00 34.83 ? 50  SER A O   1 
ATOM   389  C  CB  . SER A 1 50  ? -18.878 11.393  -0.226  1.00 35.12 ? 50  SER A CB  1 
ATOM   390  O  OG  . SER A 1 50  ? -20.118 11.421  -0.908  1.00 36.92 ? 50  SER A OG  1 
ATOM   391  N  N   . THR A 1 51  ? -17.042 11.430  -2.628  1.00 34.32 ? 51  THR A N   1 
ATOM   392  C  CA  . THR A 1 51  ? -16.816 11.247  -4.049  1.00 34.33 ? 51  THR A CA  1 
ATOM   393  C  C   . THR A 1 51  ? -17.112 9.795   -4.409  1.00 35.33 ? 51  THR A C   1 
ATOM   394  O  O   . THR A 1 51  ? -16.913 8.883   -3.599  1.00 34.77 ? 51  THR A O   1 
ATOM   395  C  CB  . THR A 1 51  ? -15.377 11.675  -4.437  1.00 33.88 ? 51  THR A CB  1 
ATOM   396  O  OG1 . THR A 1 51  ? -15.102 13.013  -3.959  1.00 33.98 ? 51  THR A OG1 1 
ATOM   397  C  CG2 . THR A 1 51  ? -15.149 11.550  -5.955  1.00 33.04 ? 51  THR A CG2 1 
ATOM   398  N  N   . ASP A 1 52  ? -17.594 9.586   -5.633  1.00 34.48 ? 52  ASP A N   1 
ATOM   399  C  CA  . ASP A 1 52  ? -17.861 8.254   -6.160  1.00 34.39 ? 52  ASP A CA  1 
ATOM   400  C  C   . ASP A 1 52  ? -16.723 7.877   -7.097  1.00 35.11 ? 52  ASP A C   1 
ATOM   401  O  O   . ASP A 1 52  ? -16.345 8.679   -7.963  1.00 34.81 ? 52  ASP A O   1 
ATOM   402  C  CB  . ASP A 1 52  ? -19.199 8.257   -6.891  1.00 34.03 ? 52  ASP A CB  1 
ATOM   403  C  CG  . ASP A 1 52  ? -20.375 8.291   -5.924  1.00 38.53 ? 52  ASP A CG  1 
ATOM   404  O  OD1 . ASP A 1 52  ? -20.481 7.378   -5.074  1.00 40.66 ? 52  ASP A OD1 1 
ATOM   405  O  OD2 . ASP A 1 52  ? -21.168 9.257   -5.982  1.00 37.44 ? 52  ASP A OD2 1 
ATOM   406  N  N   . TYR A 1 53  ? -16.220 6.645   -6.968  1.00 31.39 ? 53  TYR A N   1 
ATOM   407  C  CA  . TYR A 1 53  ? -15.046 6.241   -7.727  1.00 32.12 ? 53  TYR A CA  1 
ATOM   408  C  C   . TYR A 1 53  ? -15.220 4.955   -8.518  1.00 31.49 ? 53  TYR A C   1 
ATOM   409  O  O   . TYR A 1 53  ? -15.726 3.952   -8.007  1.00 31.56 ? 53  TYR A O   1 
ATOM   410  C  CB  . TYR A 1 53  ? -13.846 6.051   -6.808  1.00 30.89 ? 53  TYR A CB  1 
ATOM   411  C  CG  . TYR A 1 53  ? -13.419 7.300   -6.092  1.00 30.22 ? 53  TYR A CG  1 
ATOM   412  C  CD1 . TYR A 1 53  ? -14.030 7.677   -4.906  1.00 29.96 ? 53  TYR A CD1 1 
ATOM   413  C  CD2 . TYR A 1 53  ? -12.416 8.120   -6.614  1.00 30.90 ? 53  TYR A CD2 1 
ATOM   414  C  CE1 . TYR A 1 53  ? -13.640 8.821   -4.244  1.00 29.49 ? 53  TYR A CE1 1 
ATOM   415  C  CE2 . TYR A 1 53  ? -12.019 9.270   -5.956  1.00 30.39 ? 53  TYR A CE2 1 
ATOM   416  C  CZ  . TYR A 1 53  ? -12.641 9.618   -4.777  1.00 30.09 ? 53  TYR A CZ  1 
ATOM   417  O  OH  . TYR A 1 53  ? -12.251 10.742  -4.104  1.00 30.83 ? 53  TYR A OH  1 
ATOM   418  N  N   . GLY A 1 54  ? -14.706 4.985   -9.735  1.00 27.27 ? 54  GLY A N   1 
ATOM   419  C  CA  . GLY A 1 54  ? -14.525 3.833   -10.596 1.00 26.92 ? 54  GLY A CA  1 
ATOM   420  C  C   . GLY A 1 54  ? -15.725 3.368   -11.395 1.00 27.71 ? 54  GLY A C   1 
ATOM   421  O  O   . GLY A 1 54  ? -16.773 4.008   -11.491 1.00 27.66 ? 54  GLY A O   1 
ATOM   422  N  N   . ILE A 1 55  ? -15.536 2.177   -11.967 1.00 25.64 ? 55  ILE A N   1 
ATOM   423  C  CA  . ILE A 1 55  ? -16.515 1.546   -12.845 1.00 25.37 ? 55  ILE A CA  1 
ATOM   424  C  C   . ILE A 1 55  ? -17.860 1.346   -12.159 1.00 25.38 ? 55  ILE A C   1 
ATOM   425  O  O   . ILE A 1 55  ? -18.909 1.404   -12.812 1.00 24.72 ? 55  ILE A O   1 
ATOM   426  C  CB  . ILE A 1 55  ? -15.946 0.242   -13.418 1.00 30.56 ? 55  ILE A CB  1 
ATOM   427  C  CG1 . ILE A 1 55  ? -16.865 -0.262  -14.520 1.00 40.60 ? 55  ILE A CG1 1 
ATOM   428  C  CG2 . ILE A 1 55  ? -15.772 -0.796  -12.318 1.00 30.13 ? 55  ILE A CG2 1 
ATOM   429  C  CD1 . ILE A 1 55  ? -16.114 -0.972  -15.613 1.00 39.94 ? 55  ILE A CD1 1 
ATOM   430  N  N   . LEU A 1 56  ? -17.865 1.134   -10.844 1.00 29.24 ? 56  LEU A N   1 
ATOM   431  C  CA  . LEU A 1 56  ? -19.120 0.974   -10.125 1.00 28.61 ? 56  LEU A CA  1 
ATOM   432  C  C   . LEU A 1 56  ? -19.376 2.120   -9.161  1.00 29.19 ? 56  LEU A C   1 
ATOM   433  O  O   . LEU A 1 56  ? -20.182 1.970   -8.239  1.00 29.05 ? 56  LEU A O   1 
ATOM   434  C  CB  . LEU A 1 56  ? -19.167 -0.360  -9.369  1.00 27.57 ? 56  LEU A CB  1 
ATOM   435  C  CG  . LEU A 1 56  ? -19.386 -1.647  -10.160 1.00 30.46 ? 56  LEU A CG  1 
ATOM   436  C  CD1 . LEU A 1 56  ? -19.017 -2.852  -9.319  1.00 29.75 ? 56  LEU A CD1 1 
ATOM   437  C  CD2 . LEU A 1 56  ? -20.836 -1.710  -10.566 1.00 30.65 ? 56  LEU A CD2 1 
ATOM   438  N  N   . GLN A 1 57  ? -18.717 3.257   -9.367  1.00 31.50 ? 57  GLN A N   1 
ATOM   439  C  CA  . GLN A 1 57  ? -18.962 4.498   -8.622  1.00 30.84 ? 57  GLN A CA  1 
ATOM   440  C  C   . GLN A 1 57  ? -19.160 4.227   -7.137  1.00 31.73 ? 57  GLN A C   1 
ATOM   441  O  O   . GLN A 1 57  ? -20.207 4.518   -6.558  1.00 31.79 ? 57  GLN A O   1 
ATOM   442  C  CB  . GLN A 1 57  ? -20.168 5.245   -9.181  1.00 28.77 ? 57  GLN A CB  1 
ATOM   443  C  CG  . GLN A 1 57  ? -19.942 5.764   -10.584 1.00 29.48 ? 57  GLN A CG  1 
ATOM   444  C  CD  . GLN A 1 57  ? -18.949 6.924   -10.639 1.00 29.61 ? 57  GLN A CD  1 
ATOM   445  O  OE1 . GLN A 1 57  ? -19.270 8.076   -10.303 1.00 31.74 ? 57  GLN A OE1 1 
ATOM   446  N  NE2 . GLN A 1 57  ? -17.706 6.601   -10.969 1.00 30.87 ? 57  GLN A NE2 1 
ATOM   447  N  N   . ILE A 1 58  ? -18.126 3.673   -6.530  1.00 28.44 ? 58  ILE A N   1 
ATOM   448  C  CA  . ILE A 1 58  ? -18.141 3.335   -5.115  1.00 28.03 ? 58  ILE A CA  1 
ATOM   449  C  C   . ILE A 1 58  ? -17.903 4.619   -4.331  1.00 29.00 ? 58  ILE A C   1 
ATOM   450  O  O   . ILE A 1 58  ? -17.013 5.410   -4.670  1.00 28.27 ? 58  ILE A O   1 
ATOM   451  C  CB  . ILE A 1 58  ? -17.096 2.251   -4.814  1.00 30.33 ? 58  ILE A CB  1 
ATOM   452  C  CG1 . ILE A 1 58  ? -17.555 0.931   -5.447  1.00 31.72 ? 58  ILE A CG1 1 
ATOM   453  C  CG2 . ILE A 1 58  ? -16.901 2.087   -3.341  1.00 32.30 ? 58  ILE A CG2 1 
ATOM   454  C  CD1 . ILE A 1 58  ? -16.572 -0.192  -5.358  1.00 35.58 ? 58  ILE A CD1 1 
ATOM   455  N  N   . ASN A 1 59  ? -18.713 4.853   -3.293  1.00 29.56 ? 59  ASN A N   1 
ATOM   456  C  CA  . ASN A 1 59  ? -18.682 6.144   -2.614  1.00 31.06 ? 59  ASN A CA  1 
ATOM   457  C  C   . ASN A 1 59  ? -17.641 6.188   -1.506  1.00 31.66 ? 59  ASN A C   1 
ATOM   458  O  O   . ASN A 1 59  ? -17.499 5.246   -0.720  1.00 33.53 ? 59  ASN A O   1 
ATOM   459  C  CB  . ASN A 1 59  ? -20.066 6.405   -2.012  1.00 32.59 ? 59  ASN A CB  1 
ATOM   460  C  CG  . ASN A 1 59  ? -20.244 7.821   -1.542  1.00 37.97 ? 59  ASN A CG  1 
ATOM   461  O  OD1 . ASN A 1 59  ? -20.325 8.074   -0.347  1.00 50.80 ? 59  ASN A OD1 1 
ATOM   462  N  ND2 . ASN A 1 59  ? -20.329 8.753   -2.480  1.00 53.21 ? 59  ASN A ND2 1 
ATOM   463  N  N   . SER A 1 60  ? -16.957 7.338   -1.418  1.00 33.96 ? 60  SER A N   1 
ATOM   464  C  CA  . SER A 1 60  ? -15.897 7.542   -0.442  1.00 34.94 ? 60  SER A CA  1 
ATOM   465  C  C   . SER A 1 60  ? -16.402 7.849   0.956   1.00 36.27 ? 60  SER A C   1 
ATOM   466  O  O   . SER A 1 60  ? -15.599 7.856   1.891   1.00 38.19 ? 60  SER A O   1 
ATOM   467  C  CB  . SER A 1 60  ? -14.973 8.662   -0.922  1.00 30.63 ? 60  SER A CB  1 
ATOM   468  O  OG  . SER A 1 60  ? -15.638 9.914   -0.912  1.00 33.84 ? 60  SER A OG  1 
ATOM   469  N  N   . ARG A 1 61  ? -17.687 8.142   1.120   1.00 35.79 ? 61  ARG A N   1 
ATOM   470  C  CA  . ARG A 1 61  ? -18.216 8.388   2.458   1.00 37.26 ? 61  ARG A CA  1 
ATOM   471  C  C   . ARG A 1 61  ? -18.231 7.107   3.280   1.00 37.84 ? 61  ARG A C   1 
ATOM   472  O  O   . ARG A 1 61  ? -18.017 7.144   4.497   1.00 39.54 ? 61  ARG A O   1 
ATOM   473  C  CB  . ARG A 1 61  ? -19.597 9.050   2.399   1.00 43.59 ? 61  ARG A CB  1 
ATOM   474  C  CG  . ARG A 1 61  ? -20.569 8.637   3.486   1.00 49.62 ? 61  ARG A CG  1 
ATOM   475  C  CD  . ARG A 1 61  ? -20.504 9.472   4.768   1.00 58.65 ? 61  ARG A CD  1 
ATOM   476  N  NE  . ARG A 1 61  ? -21.722 9.263   5.550   1.00 64.62 ? 61  ARG A NE  1 
ATOM   477  C  CZ  . ARG A 1 61  ? -21.768 8.765   6.781   1.00 64.84 ? 61  ARG A CZ  1 
ATOM   478  N  NH1 . ARG A 1 61  ? -20.668 8.408   7.425   1.00 62.45 ? 61  ARG A NH1 1 
ATOM   479  N  NH2 . ARG A 1 61  ? -22.953 8.606   7.373   1.00 61.67 ? 61  ARG A NH2 1 
ATOM   480  N  N   . TRP A 1 62  ? -18.470 5.970   2.635   1.00 31.87 ? 62  TRP A N   1 
ATOM   481  C  CA  . TRP A 1 62  ? -18.575 4.701   3.333   1.00 31.60 ? 62  TRP A CA  1 
ATOM   482  C  C   . TRP A 1 62  ? -17.569 3.639   2.931   1.00 30.15 ? 62  TRP A C   1 
ATOM   483  O  O   . TRP A 1 62  ? -17.120 2.894   3.798   1.00 30.01 ? 62  TRP A O   1 
ATOM   484  C  CB  . TRP A 1 62  ? -19.959 4.099   3.031   1.00 36.00 ? 62  TRP A CB  1 
ATOM   485  C  CG  . TRP A 1 62  ? -21.146 4.901   3.421   1.00 39.78 ? 62  TRP A CG  1 
ATOM   486  C  CD1 . TRP A 1 62  ? -21.918 5.669   2.599   1.00 45.94 ? 62  TRP A CD1 1 
ATOM   487  C  CD2 . TRP A 1 62  ? -21.844 4.831   4.669   1.00 48.08 ? 62  TRP A CD2 1 
ATOM   488  N  NE1 . TRP A 1 62  ? -22.974 6.191   3.297   1.00 50.95 ? 62  TRP A NE1 1 
ATOM   489  C  CE2 . TRP A 1 62  ? -22.961 5.678   4.567   1.00 50.93 ? 62  TRP A CE2 1 
ATOM   490  C  CE3 . TRP A 1 62  ? -21.602 4.173   5.879   1.00 51.83 ? 62  TRP A CE3 1 
ATOM   491  C  CZ2 . TRP A 1 62  ? -23.835 5.884   5.627   1.00 54.95 ? 62  TRP A CZ2 1 
ATOM   492  C  CZ3 . TRP A 1 62  ? -22.466 4.380   6.926   1.00 57.88 ? 62  TRP A CZ3 1 
ATOM   493  C  CH2 . TRP A 1 62  ? -23.569 5.228   6.796   1.00 56.58 ? 62  TRP A CH2 1 
ATOM   494  N  N   . TRP A 1 63  ? -17.162 3.554   1.671   1.00 33.86 ? 63  TRP A N   1 
ATOM   495  C  CA  . TRP A 1 63  ? -16.462 2.330   1.301   1.00 33.26 ? 63  TRP A CA  1 
ATOM   496  C  C   . TRP A 1 63  ? -14.964 2.481   1.139   1.00 33.00 ? 63  TRP A C   1 
ATOM   497  O  O   . TRP A 1 63  ? -14.228 1.530   1.428   1.00 34.36 ? 63  TRP A O   1 
ATOM   498  C  CB  . TRP A 1 63  ? -17.055 1.754   0.020   1.00 33.44 ? 63  TRP A CB  1 
ATOM   499  C  CG  . TRP A 1 63  ? -18.539 1.597   0.129   1.00 33.50 ? 63  TRP A CG  1 
ATOM   500  C  CD1 . TRP A 1 63  ? -19.493 2.322   -0.526  1.00 34.56 ? 63  TRP A CD1 1 
ATOM   501  C  CD2 . TRP A 1 63  ? -19.247 0.727   1.032   1.00 33.58 ? 63  TRP A CD2 1 
ATOM   502  N  NE1 . TRP A 1 63  ? -20.748 1.918   -0.132  1.00 37.48 ? 63  TRP A NE1 1 
ATOM   503  C  CE2 . TRP A 1 63  ? -20.624 0.946   0.827   1.00 33.94 ? 63  TRP A CE2 1 
ATOM   504  C  CE3 . TRP A 1 63  ? -18.849 -0.233  1.973   1.00 35.26 ? 63  TRP A CE3 1 
ATOM   505  C  CZ2 . TRP A 1 63  ? -21.605 0.234   1.523   1.00 36.30 ? 63  TRP A CZ2 1 
ATOM   506  C  CZ3 . TRP A 1 63  ? -19.836 -0.938  2.669   1.00 35.34 ? 63  TRP A CZ3 1 
ATOM   507  C  CH2 . TRP A 1 63  ? -21.191 -0.694  2.440   1.00 36.07 ? 63  TRP A CH2 1 
ATOM   508  N  N   . CYS A 1 64  ? -14.481 3.644   0.724   1.00 37.34 ? 64  CYS A N   1 
ATOM   509  C  CA  . CYS A 1 64  ? -13.057 3.836   0.526   1.00 36.23 ? 64  CYS A CA  1 
ATOM   510  C  C   . CYS A 1 64  ? -12.620 5.153   1.146   1.00 36.76 ? 64  CYS A C   1 
ATOM   511  O  O   . CYS A 1 64  ? -13.438 6.001   1.509   1.00 36.80 ? 64  CYS A O   1 
ATOM   512  C  CB  . CYS A 1 64  ? -12.685 3.782   -0.963  1.00 35.45 ? 64  CYS A CB  1 
ATOM   513  S  SG  . CYS A 1 64  ? -13.479 5.035   -2.019  1.00 35.39 ? 64  CYS A SG  1 
ATOM   514  N  N   . ASN A 1 65  ? -11.308 5.292   1.297   1.00 37.94 ? 65  ASN A N   1 
ATOM   515  C  CA  . ASN A 1 65  ? -10.694 6.505   1.815   1.00 38.07 ? 65  ASN A CA  1 
ATOM   516  C  C   . ASN A 1 65  ? -10.049 7.307   0.691   1.00 37.78 ? 65  ASN A C   1 
ATOM   517  O  O   . ASN A 1 65  ? -9.232  6.774   -0.067  1.00 38.05 ? 65  ASN A O   1 
ATOM   518  C  CB  . ASN A 1 65  ? -9.643  6.163   2.878   1.00 38.93 ? 65  ASN A CB  1 
ATOM   519  C  CG  . ASN A 1 65  ? -8.930  7.398   3.428   1.00 42.36 ? 65  ASN A CG  1 
ATOM   520  O  OD1 . ASN A 1 65  ? -8.331  8.176   2.687   1.00 42.52 ? 65  ASN A OD1 1 
ATOM   521  N  ND2 . ASN A 1 65  ? -9.003  7.582   4.740   1.00 47.73 ? 65  ASN A ND2 1 
ATOM   522  N  N   . ASP A 1 66  ? -10.425 8.583   0.583   1.00 34.27 ? 66  ASP A N   1 
ATOM   523  C  CA  . ASP A 1 66  ? -9.817  9.501   -0.373  1.00 34.96 ? 66  ASP A CA  1 
ATOM   524  C  C   . ASP A 1 66  ? -9.159  10.674  0.333   1.00 35.99 ? 66  ASP A C   1 
ATOM   525  O  O   . ASP A 1 66  ? -8.637  11.570  -0.338  1.00 36.19 ? 66  ASP A O   1 
ATOM   526  C  CB  . ASP A 1 66  ? -10.825 10.012  -1.421  1.00 34.13 ? 66  ASP A CB  1 
ATOM   527  C  CG  . ASP A 1 66  ? -11.953 10.870  -0.825  1.00 34.36 ? 66  ASP A CG  1 
ATOM   528  O  OD1 . ASP A 1 66  ? -11.937 11.190  0.384   1.00 36.27 ? 66  ASP A OD1 1 
ATOM   529  O  OD2 . ASP A 1 66  ? -12.842 11.275  -1.600  1.00 34.71 ? 66  ASP A OD2 1 
ATOM   530  N  N   . GLY A 1 67  ? -9.169  10.687  1.667   1.00 35.68 ? 67  GLY A N   1 
ATOM   531  C  CA  . GLY A 1 67  ? -8.544  11.724  2.462   1.00 37.30 ? 67  GLY A CA  1 
ATOM   532  C  C   . GLY A 1 67  ? -9.195  13.087  2.410   1.00 38.99 ? 67  GLY A C   1 
ATOM   533  O  O   . GLY A 1 67  ? -8.647  14.033  2.989   1.00 40.58 ? 67  GLY A O   1 
ATOM   534  N  N   . ARG A 1 68  ? -10.334 13.233  1.718   1.00 38.03 ? 68  ARG A N   1 
ATOM   535  C  CA  . ARG A 1 68  ? -11.025 14.515  1.625   1.00 39.20 ? 68  ARG A CA  1 
ATOM   536  C  C   . ARG A 1 68  ? -12.533 14.363  1.828   1.00 39.65 ? 68  ARG A C   1 
ATOM   537  O  O   . ARG A 1 68  ? -13.312 15.184  1.329   1.00 41.25 ? 68  ARG A O   1 
ATOM   538  C  CB  . ARG A 1 68  ? -10.747 15.211  0.295   1.00 37.66 ? 68  ARG A CB  1 
ATOM   539  C  CG  . ARG A 1 68  ? -11.341 14.510  -0.891  1.00 37.63 ? 68  ARG A CG  1 
ATOM   540  C  CD  . ARG A 1 68  ? -11.319 15.432  -2.083  1.00 36.28 ? 68  ARG A CD  1 
ATOM   541  N  NE  . ARG A 1 68  ? -12.247 14.981  -3.110  1.00 37.87 ? 68  ARG A NE  1 
ATOM   542  C  CZ  . ARG A 1 68  ? -12.257 15.431  -4.357  1.00 36.79 ? 68  ARG A CZ  1 
ATOM   543  N  NH1 . ARG A 1 68  ? -11.423 16.381  -4.754  1.00 40.03 ? 68  ARG A NH1 1 
ATOM   544  N  NH2 . ARG A 1 68  ? -13.156 14.948  -5.213  1.00 35.15 ? 68  ARG A NH2 1 
ATOM   545  N  N   . THR A 1 69  ? -12.968 13.331  2.559   1.00 46.26 ? 69  THR A N   1 
ATOM   546  C  CA  . THR A 1 69  ? -14.385 13.089  2.854   1.00 47.33 ? 69  THR A CA  1 
ATOM   547  C  C   . THR A 1 69  ? -14.629 13.078  4.358   1.00 49.36 ? 69  THR A C   1 
ATOM   548  O  O   . THR A 1 69  ? -14.544 12.022  5.002   1.00 47.97 ? 69  THR A O   1 
ATOM   549  C  CB  . THR A 1 69  ? -14.872 11.772  2.243   1.00 44.51 ? 69  THR A CB  1 
ATOM   550  O  OG1 . THR A 1 69  ? -14.505 11.699  0.857   1.00 41.61 ? 69  THR A OG1 1 
ATOM   551  C  CG2 . THR A 1 69  ? -16.386 11.636  2.397   1.00 41.89 ? 69  THR A CG2 1 
ATOM   552  N  N   . PRO A 1 70  ? -14.869 14.241  4.964   1.00 55.46 ? 70  PRO A N   1 
ATOM   553  C  CA  . PRO A 1 70  ? -15.040 14.305  6.423   1.00 57.91 ? 70  PRO A CA  1 
ATOM   554  C  C   . PRO A 1 70  ? -16.152 13.371  6.888   1.00 59.63 ? 70  PRO A C   1 
ATOM   555  O  O   . PRO A 1 70  ? -17.242 13.340  6.311   1.00 60.75 ? 70  PRO A O   1 
ATOM   556  C  CB  . PRO A 1 70  ? -15.396 15.776  6.666   1.00 58.56 ? 70  PRO A CB  1 
ATOM   557  C  CG  . PRO A 1 70  ? -16.199 16.135  5.428   1.00 58.53 ? 70  PRO A CG  1 
ATOM   558  C  CD  . PRO A 1 70  ? -15.483 15.403  4.291   1.00 57.30 ? 70  PRO A CD  1 
ATOM   559  N  N   . GLY A 1 71  ? -15.854 12.560  7.898   1.00 51.04 ? 71  GLY A N   1 
ATOM   560  C  CA  . GLY A 1 71  ? -16.875 11.695  8.442   1.00 53.18 ? 71  GLY A CA  1 
ATOM   561  C  C   . GLY A 1 71  ? -16.935 10.362  7.754   1.00 53.26 ? 71  GLY A C   1 
ATOM   562  O  O   . GLY A 1 71  ? -17.890 9.606   7.968   1.00 54.60 ? 71  GLY A O   1 
ATOM   563  N  N   . SER A 1 72  ? -15.955 10.066  6.915   1.00 46.96 ? 72  SER A N   1 
ATOM   564  C  CA  . SER A 1 72  ? -15.960 8.850   6.132   1.00 46.31 ? 72  SER A CA  1 
ATOM   565  C  C   . SER A 1 72  ? -15.518 7.619   6.898   1.00 45.16 ? 72  SER A C   1 
ATOM   566  O  O   . SER A 1 72  ? -14.663 7.666   7.789   1.00 44.67 ? 72  SER A O   1 
ATOM   567  C  CB  . SER A 1 72  ? -15.024 8.994   4.927   1.00 45.94 ? 72  SER A CB  1 
ATOM   568  O  OG  . SER A 1 72  ? -14.806 7.741   4.292   1.00 63.37 ? 72  SER A OG  1 
ATOM   569  N  N   . ARG A 1 73  ? -16.109 6.502   6.508   1.00 44.27 ? 73  ARG A N   1 
ATOM   570  C  CA  . ARG A 1 73  ? -15.730 5.186   6.973   1.00 42.07 ? 73  ARG A CA  1 
ATOM   571  C  C   . ARG A 1 73  ? -14.989 4.605   5.783   1.00 40.85 ? 73  ARG A C   1 
ATOM   572  O  O   . ARG A 1 73  ? -15.073 5.131   4.667   1.00 41.57 ? 73  ARG A O   1 
ATOM   573  C  CB  . ARG A 1 73  ? -16.933 4.339   7.420   1.00 40.95 ? 73  ARG A CB  1 
ATOM   574  C  CG  . ARG A 1 73  ? -17.751 5.011   8.529   1.00 46.51 ? 73  ARG A CG  1 
ATOM   575  C  CD  . ARG A 1 73  ? -19.077 4.321   8.844   1.00 50.34 ? 73  ARG A CD  1 
ATOM   576  N  NE  . ARG A 1 73  ? -18.965 3.463   10.021  1.00 59.31 ? 73  ARG A NE  1 
ATOM   577  C  CZ  . ARG A 1 73  ? -19.988 3.065   10.767  1.00 62.53 ? 73  ARG A CZ  1 
ATOM   578  N  NH1 . ARG A 1 73  ? -21.228 3.441   10.500  1.00 65.96 ? 73  ARG A NH1 1 
ATOM   579  N  NH2 . ARG A 1 73  ? -19.760 2.266   11.807  1.00 65.13 ? 73  ARG A NH2 1 
ATOM   580  N  N   . ASN A 1 74  ? -14.255 3.555   5.999   1.00 42.08 ? 74  ASN A N   1 
ATOM   581  C  CA  . ASN A 1 74  ? -13.538 2.962   4.904   1.00 38.57 ? 74  ASN A CA  1 
ATOM   582  C  C   . ASN A 1 74  ? -13.752 1.458   5.068   1.00 38.18 ? 74  ASN A C   1 
ATOM   583  O  O   . ASN A 1 74  ? -12.834 0.693   5.356   1.00 37.36 ? 74  ASN A O   1 
ATOM   584  C  CB  . ASN A 1 74  ? -12.070 3.405   4.967   1.00 34.90 ? 74  ASN A CB  1 
ATOM   585  C  CG  . ASN A 1 74  ? -11.222 2.849   3.854   1.00 37.28 ? 74  ASN A CG  1 
ATOM   586  O  OD1 . ASN A 1 74  ? -11.732 2.302   2.881   1.00 36.20 ? 74  ASN A OD1 1 
ATOM   587  N  ND2 . ASN A 1 74  ? -9.909  2.982   3.994   1.00 37.65 ? 74  ASN A ND2 1 
ATOM   588  N  N   . LEU A 1 75  ? -15.010 1.028   4.873   1.00 38.13 ? 75  LEU A N   1 
ATOM   589  C  CA  . LEU A 1 75  ? -15.342 -0.377  5.075   1.00 38.54 ? 75  LEU A CA  1 
ATOM   590  C  C   . LEU A 1 75  ? -14.705 -1.324  4.062   1.00 37.97 ? 75  LEU A C   1 
ATOM   591  O  O   . LEU A 1 75  ? -14.554 -2.511  4.373   1.00 38.06 ? 75  LEU A O   1 
ATOM   592  C  CB  . LEU A 1 75  ? -16.865 -0.579  5.105   1.00 40.42 ? 75  LEU A CB  1 
ATOM   593  C  CG  . LEU A 1 75  ? -17.740 0.059   6.208   1.00 43.26 ? 75  LEU A CG  1 
ATOM   594  C  CD1 . LEU A 1 75  ? -17.012 0.104   7.561   1.00 45.26 ? 75  LEU A CD1 1 
ATOM   595  C  CD2 . LEU A 1 75  ? -18.397 1.391   5.884   1.00 46.83 ? 75  LEU A CD2 1 
ATOM   596  N  N   . CYS A 1 76  ? -14.322 -0.870  2.875   1.00 37.37 ? 76  CYS A N   1 
ATOM   597  C  CA  . CYS A 1 76  ? -13.599 -1.778  1.989   1.00 37.59 ? 76  CYS A CA  1 
ATOM   598  C  C   . CYS A 1 76  ? -12.097 -1.687  2.227   1.00 37.11 ? 76  CYS A C   1 
ATOM   599  O  O   . CYS A 1 76  ? -11.329 -2.417  1.593   1.00 36.66 ? 76  CYS A O   1 
ATOM   600  C  CB  . CYS A 1 76  ? -13.941 -1.517  0.519   1.00 35.22 ? 76  CYS A CB  1 
ATOM   601  S  SG  . CYS A 1 76  ? -15.698 -1.874  0.090   1.00 33.67 ? 76  CYS A SG  1 
ATOM   602  N  N   . ASN A 1 77  ? -11.684 -0.798  3.133   1.00 37.50 ? 77  ASN A N   1 
ATOM   603  C  CA  . ASN A 1 77  ? -10.304 -0.636  3.576   1.00 37.40 ? 77  ASN A CA  1 
ATOM   604  C  C   . ASN A 1 77  ? -9.364  -0.543  2.376   1.00 38.17 ? 77  ASN A C   1 
ATOM   605  O  O   . ASN A 1 77  ? -8.475  -1.373  2.179   1.00 39.19 ? 77  ASN A O   1 
ATOM   606  C  CB  A ASN A 1 77  ? -9.903  -1.777  4.513   0.53 39.41 ? 77  ASN A CB  1 
ATOM   607  C  CB  B ASN A 1 77  ? -9.892  -1.775  4.514   0.47 38.04 ? 77  ASN A CB  1 
ATOM   608  C  CG  A ASN A 1 77  ? -8.563  -1.547  5.172   0.53 42.58 ? 77  ASN A CG  1 
ATOM   609  C  CG  B ASN A 1 77  ? -11.070 -2.371  5.263   0.47 43.31 ? 77  ASN A CG  1 
ATOM   610  O  OD1 A ASN A 1 77  ? -8.231  -0.425  5.563   0.53 50.15 ? 77  ASN A OD1 1 
ATOM   611  O  OD1 B ASN A 1 77  ? -11.569 -1.785  6.224   0.47 42.26 ? 77  ASN A OD1 1 
ATOM   612  N  ND2 A ASN A 1 77  ? -7.777  -2.611  5.295   0.53 43.94 ? 77  ASN A ND2 1 
ATOM   613  N  ND2 B ASN A 1 77  ? -11.518 -3.545  4.826   0.47 42.83 ? 77  ASN A ND2 1 
ATOM   614  N  N   . ILE A 1 78  ? -9.581  0.486   1.560   1.00 35.25 ? 78  ILE A N   1 
ATOM   615  C  CA  . ILE A 1 78  ? -8.813  0.608   0.325   1.00 35.41 ? 78  ILE A CA  1 
ATOM   616  C  C   . ILE A 1 78  ? -8.762  2.074   -0.102  1.00 35.37 ? 78  ILE A C   1 
ATOM   617  O  O   . ILE A 1 78  ? -9.725  2.820   0.124   1.00 34.38 ? 78  ILE A O   1 
ATOM   618  C  CB  . ILE A 1 78  ? -9.426  -0.295  -0.765  1.00 38.90 ? 78  ILE A CB  1 
ATOM   619  C  CG1 . ILE A 1 78  ? -8.462  -0.507  -1.932  1.00 41.33 ? 78  ILE A CG1 1 
ATOM   620  C  CG2 . ILE A 1 78  ? -10.763 0.275   -1.268  1.00 37.18 ? 78  ILE A CG2 1 
ATOM   621  C  CD1 . ILE A 1 78  ? -8.610  -1.857  -2.600  1.00 46.20 ? 78  ILE A CD1 1 
ATOM   622  N  N   . PRO A 1 79  ? -7.650  2.548   -0.670  1.00 33.08 ? 79  PRO A N   1 
ATOM   623  C  CA  . PRO A 1 79  ? -7.643  3.895   -1.253  1.00 32.54 ? 79  PRO A CA  1 
ATOM   624  C  C   . PRO A 1 79  ? -8.618  3.980   -2.419  1.00 32.48 ? 79  PRO A C   1 
ATOM   625  O  O   . PRO A 1 79  ? -8.760  3.038   -3.197  1.00 32.28 ? 79  PRO A O   1 
ATOM   626  C  CB  . PRO A 1 79  ? -6.190  4.082   -1.712  1.00 32.60 ? 79  PRO A CB  1 
ATOM   627  C  CG  . PRO A 1 79  ? -5.424  3.007   -1.041  1.00 34.87 ? 79  PRO A CG  1 
ATOM   628  C  CD  . PRO A 1 79  ? -6.348  1.876   -0.822  1.00 33.14 ? 79  PRO A CD  1 
ATOM   629  N  N   . CYS A 1 80  ? -9.311  5.117   -2.536  1.00 33.58 ? 80  CYS A N   1 
ATOM   630  C  CA  . CYS A 1 80  ? -10.262 5.247   -3.639  1.00 34.01 ? 80  CYS A CA  1 
ATOM   631  C  C   . CYS A 1 80  ? -9.563  5.206   -4.992  1.00 34.17 ? 80  CYS A C   1 
ATOM   632  O  O   . CYS A 1 80  ? -10.175 4.819   -5.994  1.00 34.68 ? 80  CYS A O   1 
ATOM   633  C  CB  . CYS A 1 80  ? -11.084 6.526   -3.497  1.00 32.61 ? 80  CYS A CB  1 
ATOM   634  S  SG  . CYS A 1 80  ? -12.183 6.620   -2.014  1.00 30.94 ? 80  CYS A SG  1 
ATOM   635  N  N   . SER A 1 81  ? -8.292  5.623   -5.052  1.00 28.31 ? 81  SER A N   1 
ATOM   636  C  CA  . SER A 1 81  ? -7.573  5.557   -6.322  1.00 29.90 ? 81  SER A CA  1 
ATOM   637  C  C   . SER A 1 81  ? -7.427  4.116   -6.782  1.00 31.21 ? 81  SER A C   1 
ATOM   638  O  O   . SER A 1 81  ? -7.402  3.839   -7.989  1.00 32.48 ? 81  SER A O   1 
ATOM   639  C  CB  . SER A 1 81  ? -6.196  6.219   -6.206  1.00 34.67 ? 81  SER A CB  1 
ATOM   640  O  OG  . SER A 1 81  ? -5.318  5.398   -5.457  1.00 35.21 ? 81  SER A OG  1 
ATOM   641  N  N   . ALA A 1 82  ? -7.397  3.179   -5.830  1.00 29.12 ? 82  ALA A N   1 
ATOM   642  C  CA  . ALA A 1 82  ? -7.297  1.770   -6.182  1.00 30.66 ? 82  ALA A CA  1 
ATOM   643  C  C   . ALA A 1 82  ? -8.574  1.278   -6.836  1.00 31.79 ? 82  ALA A C   1 
ATOM   644  O  O   . ALA A 1 82  ? -8.580  0.182   -7.410  1.00 32.56 ? 82  ALA A O   1 
ATOM   645  C  CB  . ALA A 1 82  ? -6.985  0.922   -4.942  1.00 31.48 ? 82  ALA A CB  1 
ATOM   646  N  N   . LEU A 1 83  ? -9.650  2.066   -6.771  1.00 32.48 ? 83  LEU A N   1 
ATOM   647  C  CA  . LEU A 1 83  ? -10.885 1.710   -7.443  1.00 31.56 ? 83  LEU A CA  1 
ATOM   648  C  C   . LEU A 1 83  ? -10.928 2.223   -8.871  1.00 31.22 ? 83  LEU A C   1 
ATOM   649  O  O   . LEU A 1 83  ? -11.949 2.058   -9.544  1.00 31.36 ? 83  LEU A O   1 
ATOM   650  C  CB  . LEU A 1 83  ? -12.081 2.261   -6.667  1.00 29.75 ? 83  LEU A CB  1 
ATOM   651  C  CG  . LEU A 1 83  ? -12.190 1.870   -5.189  1.00 30.42 ? 83  LEU A CG  1 
ATOM   652  C  CD1 . LEU A 1 83  ? -13.463 2.456   -4.572  1.00 33.84 ? 83  LEU A CD1 1 
ATOM   653  C  CD2 . LEU A 1 83  ? -12.086 0.362   -4.981  1.00 35.04 ? 83  LEU A CD2 1 
ATOM   654  N  N   . LEU A 1 84  ? -9.855  2.859   -9.334  1.00 31.83 ? 84  LEU A N   1 
ATOM   655  C  CA  . LEU A 1 84  ? -9.779  3.418   -10.674 1.00 31.49 ? 84  LEU A CA  1 
ATOM   656  C  C   . LEU A 1 84  ? -8.842  2.620   -11.560 1.00 31.49 ? 84  LEU A C   1 
ATOM   657  O  O   . LEU A 1 84  ? -8.663  2.969   -12.733 1.00 32.00 ? 84  LEU A O   1 
ATOM   658  C  CB  . LEU A 1 84  ? -9.324  4.883   -10.642 1.00 31.44 ? 84  LEU A CB  1 
ATOM   659  C  CG  . LEU A 1 84  ? -10.113 5.868   -9.802  1.00 33.49 ? 84  LEU A CG  1 
ATOM   660  C  CD1 . LEU A 1 84  ? -9.542  7.250   -9.978  1.00 32.95 ? 84  LEU A CD1 1 
ATOM   661  C  CD2 . LEU A 1 84  ? -11.543 5.854   -10.241 1.00 29.11 ? 84  LEU A CD2 1 
ATOM   662  N  N   . SER A 1 85  ? -8.238  1.563   -11.030 1.00 34.31 ? 85  SER A N   1 
ATOM   663  C  CA  . SER A 1 85  ? -7.290  0.784   -11.805 1.00 34.91 ? 85  SER A CA  1 
ATOM   664  C  C   . SER A 1 85  ? -7.972  0.167   -13.014 1.00 35.68 ? 85  SER A C   1 
ATOM   665  O  O   . SER A 1 85  ? -9.173  -0.078  -13.019 1.00 36.61 ? 85  SER A O   1 
ATOM   666  C  CB  . SER A 1 85  ? -6.667  -0.302  -10.921 1.00 36.72 ? 85  SER A CB  1 
ATOM   667  O  OG  . SER A 1 85  ? -5.810  -1.164  -11.646 1.00 34.50 ? 85  SER A OG  1 
ATOM   668  N  N   . SER A 1 86  ? -7.170  -0.161  -14.023 1.00 33.75 ? 86  SER A N   1 
ATOM   669  C  CA  . SER A 1 86  ? -7.747  -0.858  -15.159 1.00 34.34 ? 86  SER A CA  1 
ATOM   670  C  C   . SER A 1 86  ? -8.179  -2.265  -14.778 1.00 34.91 ? 86  SER A C   1 
ATOM   671  O  O   . SER A 1 86  ? -9.064  -2.825  -15.433 1.00 37.27 ? 86  SER A O   1 
ATOM   672  C  CB  . SER A 1 86  ? -6.745  -0.886  -16.315 1.00 44.18 ? 86  SER A CB  1 
ATOM   673  O  OG  . SER A 1 86  ? -5.509  -1.435  -15.899 1.00 47.89 ? 86  SER A OG  1 
ATOM   674  N  N   . ASP A 1 87  ? -7.593  -2.840  -13.732 1.00 39.47 ? 87  ASP A N   1 
ATOM   675  C  CA  . ASP A 1 87  ? -8.020  -4.140  -13.233 1.00 38.60 ? 87  ASP A CA  1 
ATOM   676  C  C   . ASP A 1 87  ? -9.101  -3.858  -12.194 1.00 37.87 ? 87  ASP A C   1 
ATOM   677  O  O   . ASP A 1 87  ? -8.834  -3.207  -11.173 1.00 37.46 ? 87  ASP A O   1 
ATOM   678  C  CB  . ASP A 1 87  ? -6.848  -4.921  -12.635 1.00 40.12 ? 87  ASP A CB  1 
ATOM   679  C  CG  . ASP A 1 87  ? -7.276  -6.240  -12.013 1.00 45.76 ? 87  ASP A CG  1 
ATOM   680  O  OD1 . ASP A 1 87  ? -7.999  -6.214  -11.007 1.00 41.31 ? 87  ASP A OD1 1 
ATOM   681  O  OD2 . ASP A 1 87  ? -6.873  -7.311  -12.529 1.00 47.71 ? 87  ASP A OD2 1 
ATOM   682  N  N   . ILE A 1 88  ? -10.306 -4.375  -12.433 1.00 35.26 ? 88  ILE A N   1 
ATOM   683  C  CA  . ILE A 1 88  ? -11.467 -4.080  -11.594 1.00 34.35 ? 88  ILE A CA  1 
ATOM   684  C  C   . ILE A 1 88  ? -11.575 -4.953  -10.348 1.00 33.98 ? 88  ILE A C   1 
ATOM   685  O  O   . ILE A 1 88  ? -12.614 -4.939  -9.676  1.00 33.79 ? 88  ILE A O   1 
ATOM   686  C  CB  . ILE A 1 88  ? -12.761 -4.194  -12.410 1.00 32.52 ? 88  ILE A CB  1 
ATOM   687  C  CG1 . ILE A 1 88  ? -13.051 -5.661  -12.731 1.00 36.33 ? 88  ILE A CG1 1 
ATOM   688  C  CG2 . ILE A 1 88  ? -12.649 -3.380  -13.674 1.00 34.70 ? 88  ILE A CG2 1 
ATOM   689  C  CD1 . ILE A 1 88  ? -14.392 -5.884  -13.420 1.00 36.82 ? 88  ILE A CD1 1 
ATOM   690  N  N   . THR A 1 89  ? -10.551 -5.764  -10.058 1.00 34.74 ? 89  THR A N   1 
ATOM   691  C  CA  . THR A 1 89  ? -10.641 -6.668  -8.912  1.00 34.57 ? 89  THR A CA  1 
ATOM   692  C  C   . THR A 1 89  ? -11.080 -5.943  -7.648  1.00 34.97 ? 89  THR A C   1 
ATOM   693  O  O   . THR A 1 89  ? -12.025 -6.370  -6.975  1.00 34.94 ? 89  THR A O   1 
ATOM   694  C  CB  . THR A 1 89  ? -9.302  -7.364  -8.658  1.00 37.94 ? 89  THR A CB  1 
ATOM   695  O  OG1 . THR A 1 89  ? -8.919  -8.095  -9.832  1.00 38.06 ? 89  THR A OG1 1 
ATOM   696  C  CG2 . THR A 1 89  ? -9.430  -8.335  -7.473  1.00 37.89 ? 89  THR A CG2 1 
ATOM   697  N  N   . ALA A 1 90  ? -10.432 -4.827  -7.328  1.00 30.95 ? 90  ALA A N   1 
ATOM   698  C  CA  . ALA A 1 90  ? -10.745 -4.125  -6.090  1.00 30.76 ? 90  ALA A CA  1 
ATOM   699  C  C   . ALA A 1 90  ? -12.175 -3.597  -6.112  1.00 30.74 ? 90  ALA A C   1 
ATOM   700  O  O   . ALA A 1 90  ? -12.901 -3.705  -5.114  1.00 31.01 ? 90  ALA A O   1 
ATOM   701  C  CB  . ALA A 1 90  ? -9.745  -2.993  -5.874  1.00 33.73 ? 90  ALA A CB  1 
ATOM   702  N  N   . SER A 1 91  ? -12.611 -3.066  -7.258  1.00 31.11 ? 91  SER A N   1 
ATOM   703  C  CA  . SER A 1 91  ? -13.982 -2.578  -7.363  1.00 30.10 ? 91  SER A CA  1 
ATOM   704  C  C   . SER A 1 91  ? -14.958 -3.717  -7.137  1.00 29.96 ? 91  SER A C   1 
ATOM   705  O  O   . SER A 1 91  ? -15.963 -3.552  -6.444  1.00 31.29 ? 91  SER A O   1 
ATOM   706  C  CB  . SER A 1 91  ? -14.236 -1.939  -8.731  1.00 31.35 ? 91  SER A CB  1 
ATOM   707  O  OG  . SER A 1 91  ? -13.681 -0.645  -8.815  1.00 30.12 ? 91  SER A OG  1 
ATOM   708  N  N   . VAL A 1 92  ? -14.672 -4.883  -7.706  1.00 29.62 ? 92  VAL A N   1 
ATOM   709  C  CA  . VAL A 1 92  ? -15.562 -6.020  -7.528  1.00 29.97 ? 92  VAL A CA  1 
ATOM   710  C  C   . VAL A 1 92  ? -15.580 -6.475  -6.071  1.00 31.01 ? 92  VAL A C   1 
ATOM   711  O  O   . VAL A 1 92  ? -16.646 -6.779  -5.527  1.00 31.83 ? 92  VAL A O   1 
ATOM   712  C  CB  . VAL A 1 92  ? -15.147 -7.152  -8.476  1.00 31.45 ? 92  VAL A CB  1 
ATOM   713  C  CG1 . VAL A 1 92  ? -15.911 -8.420  -8.155  1.00 31.75 ? 92  VAL A CG1 1 
ATOM   714  C  CG2 . VAL A 1 92  ? -15.371 -6.720  -9.906  1.00 33.55 ? 92  VAL A CG2 1 
ATOM   715  N  N   . ASN A 1 93  ? -14.414 -6.577  -5.427  1.00 31.35 ? 93  ASN A N   1 
ATOM   716  C  CA  . ASN A 1 93  ? -14.396 -7.007  -4.027  1.00 31.87 ? 93  ASN A CA  1 
ATOM   717  C  C   . ASN A 1 93  ? -15.208 -6.061  -3.163  1.00 31.50 ? 93  ASN A C   1 
ATOM   718  O  O   . ASN A 1 93  ? -16.042 -6.487  -2.341  1.00 32.50 ? 93  ASN A O   1 
ATOM   719  C  CB  . ASN A 1 93  ? -12.959 -7.097  -3.515  1.00 33.90 ? 93  ASN A CB  1 
ATOM   720  C  CG  . ASN A 1 93  ? -12.225 -8.301  -4.069  1.00 43.20 ? 93  ASN A CG  1 
ATOM   721  O  OD1 . ASN A 1 93  ? -12.811 -9.132  -4.770  1.00 46.77 ? 93  ASN A OD1 1 
ATOM   722  N  ND2 . ASN A 1 93  ? -10.931 -8.395  -3.772  1.00 42.37 ? 93  ASN A ND2 1 
ATOM   723  N  N   . CYS A 1 94  ? -15.068 -4.769  -3.427  1.00 34.72 ? 94  CYS A N   1 
ATOM   724  C  CA  . CYS A 1 94  ? -15.810 -3.804  -2.644  1.00 34.06 ? 94  CYS A CA  1 
ATOM   725  C  C   . CYS A 1 94  ? -17.299 -3.874  -2.972  1.00 35.14 ? 94  CYS A C   1 
ATOM   726  O  O   . CYS A 1 94  ? -18.130 -3.757  -2.072  1.00 33.86 ? 94  CYS A O   1 
ATOM   727  C  CB  . CYS A 1 94  ? -15.237 -2.409  -2.881  1.00 33.59 ? 94  CYS A CB  1 
ATOM   728  S  SG  . CYS A 1 94  ? -15.938 -1.159  -1.796  1.00 33.69 ? 94  CYS A SG  1 
ATOM   729  N  N   . ALA A 1 95  ? -17.658 -4.008  -4.252  1.00 30.56 ? 95  ALA A N   1 
ATOM   730  C  CA  . ALA A 1 95  ? -19.064 -4.155  -4.620  1.00 30.27 ? 95  ALA A CA  1 
ATOM   731  C  C   . ALA A 1 95  ? -19.692 -5.385  -3.981  1.00 30.14 ? 95  ALA A C   1 
ATOM   732  O  O   . ALA A 1 95  ? -20.862 -5.356  -3.588  1.00 30.10 ? 95  ALA A O   1 
ATOM   733  C  CB  . ALA A 1 95  ? -19.195 -4.253  -6.136  1.00 29.05 ? 95  ALA A CB  1 
ATOM   734  N  N   . LYS A 1 96  ? -18.925 -6.472  -3.857  1.00 32.17 ? 96  LYS A N   1 
ATOM   735  C  CA  . LYS A 1 96  ? -19.434 -7.660  -3.183  1.00 31.91 ? 96  LYS A CA  1 
ATOM   736  C  C   . LYS A 1 96  ? -19.752 -7.329  -1.743  1.00 32.33 ? 96  LYS A C   1 
ATOM   737  O  O   . LYS A 1 96  ? -20.769 -7.771  -1.194  1.00 33.94 ? 96  LYS A O   1 
ATOM   738  C  CB  . LYS A 1 96  ? -18.393 -8.777  -3.212  1.00 31.51 ? 96  LYS A CB  1 
ATOM   739  C  CG  . LYS A 1 96  ? -18.095 -9.418  -4.549  1.00 33.23 ? 96  LYS A CG  1 
ATOM   740  C  CD  . LYS A 1 96  ? -16.939 -10.395 -4.360  1.00 33.19 ? 96  LYS A CD  1 
ATOM   741  C  CE  . LYS A 1 96  ? -17.181 -11.709 -5.049  1.00 35.54 ? 96  LYS A CE  1 
ATOM   742  N  NZ  . LYS A 1 96  ? -17.310 -11.493 -6.511  1.00 39.17 ? 96  LYS A NZ  1 
ATOM   743  N  N   . LYS A 1 97  ? -18.876 -6.542  -1.116  1.00 31.88 ? 97  LYS A N   1 
ATOM   744  C  CA  . LYS A 1 97  ? -19.132 -6.139  0.258   1.00 32.71 ? 97  LYS A CA  1 
ATOM   745  C  C   . LYS A 1 97  ? -20.342 -5.203  0.357   1.00 33.23 ? 97  LYS A C   1 
ATOM   746  O  O   . LYS A 1 97  ? -21.184 -5.353  1.251   1.00 33.96 ? 97  LYS A O   1 
ATOM   747  C  CB  . LYS A 1 97  ? -17.873 -5.470  0.797   1.00 33.21 ? 97  LYS A CB  1 
ATOM   748  C  CG  . LYS A 1 97  ? -18.039 -4.650  2.063   1.00 37.06 ? 97  LYS A CG  1 
ATOM   749  C  CD  . LYS A 1 97  ? -16.666 -4.110  2.507   1.00 42.79 ? 97  LYS A CD  1 
ATOM   750  C  CE  . LYS A 1 97  ? -15.576 -5.189  2.601   1.00 47.48 ? 97  LYS A CE  1 
ATOM   751  N  NZ  . LYS A 1 97  ? -16.038 -6.482  3.169   1.00 56.87 ? 97  LYS A NZ  1 
ATOM   752  N  N   . ILE A 1 98  ? -20.424 -4.228  -0.556  1.00 30.96 ? 98  ILE A N   1 
ATOM   753  C  CA  . ILE A 1 98  ? -21.502 -3.239  -0.565  1.00 30.63 ? 98  ILE A CA  1 
ATOM   754  C  C   . ILE A 1 98  ? -22.868 -3.896  -0.740  1.00 31.50 ? 98  ILE A C   1 
ATOM   755  O  O   . ILE A 1 98  ? -23.800 -3.660  0.038   1.00 32.75 ? 98  ILE A O   1 
ATOM   756  C  CB  . ILE A 1 98  ? -21.257 -2.198  -1.669  1.00 30.26 ? 98  ILE A CB  1 
ATOM   757  C  CG1 . ILE A 1 98  ? -19.970 -1.403  -1.430  1.00 32.80 ? 98  ILE A CG1 1 
ATOM   758  C  CG2 . ILE A 1 98  ? -22.425 -1.249  -1.743  1.00 28.81 ? 98  ILE A CG2 1 
ATOM   759  C  CD1 . ILE A 1 98  ? -19.523 -0.606  -2.635  1.00 31.80 ? 98  ILE A CD1 1 
ATOM   760  N  N   . VAL A 1 99  ? -22.994 -4.754  -1.757  1.00 30.52 ? 99  VAL A N   1 
ATOM   761  C  CA  . VAL A 1 99  ? -24.272 -5.367  -2.064  1.00 31.23 ? 99  VAL A CA  1 
ATOM   762  C  C   . VAL A 1 99  ? -24.696 -6.329  -0.972  1.00 32.81 ? 99  VAL A C   1 
ATOM   763  O  O   . VAL A 1 99  ? -25.883 -6.675  -0.891  1.00 33.20 ? 99  VAL A O   1 
ATOM   764  C  CB  . VAL A 1 99  ? -24.188 -6.092  -3.425  1.00 29.47 ? 99  VAL A CB  1 
ATOM   765  C  CG1 . VAL A 1 99  ? -23.382 -7.384  -3.304  1.00 31.52 ? 99  VAL A CG1 1 
ATOM   766  C  CG2 . VAL A 1 99  ? -25.576 -6.384  -3.965  1.00 30.92 ? 99  VAL A CG2 1 
ATOM   767  N  N   . SER A 1 100 ? -23.774 -6.732  -0.098  1.00 34.55 ? 100 SER A N   1 
ATOM   768  C  CA  . SER A 1 100 ? -24.130 -7.593  1.014   1.00 36.75 ? 100 SER A CA  1 
ATOM   769  C  C   . SER A 1 100 ? -24.458 -6.830  2.291   1.00 37.13 ? 100 SER A C   1 
ATOM   770  O  O   . SER A 1 100 ? -24.840 -7.456  3.282   1.00 38.56 ? 100 SER A O   1 
ATOM   771  C  CB  . SER A 1 100 ? -22.970 -8.566  1.294   1.00 35.10 ? 100 SER A CB  1 
ATOM   772  O  OG  . SER A 1 100 ? -22.636 -9.323  0.137   1.00 38.16 ? 100 SER A OG  1 
ATOM   773  N  N   . ASP A 1 101 ? -24.350 -5.503  2.290   1.00 37.83 ? 101 ASP A N   1 
ATOM   774  C  CA  . ASP A 1 101 ? -24.512 -4.707  3.504   1.00 38.79 ? 101 ASP A CA  1 
ATOM   775  C  C   . ASP A 1 101 ? -25.959 -4.513  3.952   1.00 39.37 ? 101 ASP A C   1 
ATOM   776  O  O   . ASP A 1 101 ? -26.183 -3.994  5.050   1.00 40.76 ? 101 ASP A O   1 
ATOM   777  C  CB  . ASP A 1 101 ? -23.830 -3.348  3.356   1.00 41.40 ? 101 ASP A CB  1 
ATOM   778  C  CG  . ASP A 1 101 ? -23.554 -2.715  4.686   1.00 47.87 ? 101 ASP A CG  1 
ATOM   779  O  OD1 . ASP A 1 101 ? -22.858 -3.353  5.497   1.00 50.00 ? 101 ASP A OD1 1 
ATOM   780  O  OD2 . ASP A 1 101 ? -24.025 -1.590  4.933   1.00 48.70 ? 101 ASP A OD2 1 
ATOM   781  N  N   . GLY A 1 102 ? -26.948 -4.867  3.145   1.00 40.23 ? 102 GLY A N   1 
ATOM   782  C  CA  . GLY A 1 102 ? -28.308 -4.738  3.636   1.00 40.30 ? 102 GLY A CA  1 
ATOM   783  C  C   . GLY A 1 102 ? -29.291 -4.262  2.593   1.00 39.68 ? 102 GLY A C   1 
ATOM   784  O  O   . GLY A 1 102 ? -30.420 -4.762  2.561   1.00 40.05 ? 102 GLY A O   1 
ATOM   785  N  N   . ASN A 1 103 ? -28.916 -3.322  1.723   1.00 35.77 ? 103 ASN A N   1 
ATOM   786  C  CA  . ASN A 1 103 ? -29.886 -2.820  0.759   1.00 34.45 ? 103 ASN A CA  1 
ATOM   787  C  C   . ASN A 1 103 ? -29.584 -3.332  -0.641  1.00 32.44 ? 103 ASN A C   1 
ATOM   788  O  O   . ASN A 1 103 ? -30.113 -2.802  -1.621  1.00 33.30 ? 103 ASN A O   1 
ATOM   789  C  CB  . ASN A 1 103 ? -29.895 -1.294  0.735   1.00 36.28 ? 103 ASN A CB  1 
ATOM   790  C  CG  . ASN A 1 103 ? -30.279 -0.690  2.062   1.00 41.72 ? 103 ASN A CG  1 
ATOM   791  O  OD1 . ASN A 1 103 ? -29.476 0.008   2.694   1.00 43.29 ? 103 ASN A OD1 1 
ATOM   792  N  ND2 . ASN A 1 103 ? -31.515 -0.936  2.493   1.00 46.01 ? 103 ASN A ND2 1 
ATOM   793  N  N   . GLY A 1 104 ? -28.766 -4.375  -0.742  1.00 28.22 ? 104 GLY A N   1 
ATOM   794  C  CA  . GLY A 1 104 ? -28.497 -5.011  -2.012  1.00 28.48 ? 104 GLY A CA  1 
ATOM   795  C  C   . GLY A 1 104 ? -27.978 -4.008  -3.016  1.00 28.16 ? 104 GLY A C   1 
ATOM   796  O  O   . GLY A 1 104 ? -27.338 -2.990  -2.677  1.00 28.54 ? 104 GLY A O   1 
ATOM   797  N  N   . MET A 1 105 ? -28.427 -4.181  -4.252  1.00 25.57 ? 105 MET A N   1 
ATOM   798  C  CA  . MET A 1 105 ? -27.943 -3.282  -5.283  1.00 25.11 ? 105 MET A CA  1 
ATOM   799  C  C   . MET A 1 105 ? -28.617 -1.929  -5.224  1.00 25.91 ? 105 MET A C   1 
ATOM   800  O  O   . MET A 1 105 ? -28.264 -1.057  -6.024  1.00 26.06 ? 105 MET A O   1 
ATOM   801  C  CB  . MET A 1 105 ? -28.086 -3.871  -6.683  1.00 26.66 ? 105 MET A CB  1 
ATOM   802  C  CG  . MET A 1 105 ? -27.076 -4.965  -6.928  1.00 24.81 ? 105 MET A CG  1 
ATOM   803  S  SD  . MET A 1 105 ? -26.964 -5.482  -8.635  1.00 25.14 ? 105 MET A SD  1 
ATOM   804  C  CE  . MET A 1 105 ? -26.061 -4.093  -9.316  1.00 29.98 ? 105 MET A CE  1 
ATOM   805  N  N   . ASN A 1 106 ? -29.562 -1.724  -4.296  1.00 25.22 ? 106 ASN A N   1 
ATOM   806  C  CA  . ASN A 1 106 ? -30.137 -0.391  -4.163  1.00 26.48 ? 106 ASN A CA  1 
ATOM   807  C  C   . ASN A 1 106 ? -29.071 0.575   -3.701  1.00 27.49 ? 106 ASN A C   1 
ATOM   808  O  O   . ASN A 1 106 ? -29.292 1.791   -3.746  1.00 28.44 ? 106 ASN A O   1 
ATOM   809  C  CB  . ASN A 1 106 ? -31.302 -0.379  -3.164  1.00 26.42 ? 106 ASN A CB  1 
ATOM   810  C  CG  . ASN A 1 106 ? -32.462 -1.249  -3.614  1.00 27.53 ? 106 ASN A CG  1 
ATOM   811  O  OD1 . ASN A 1 106 ? -33.171 -0.936  -4.568  1.00 27.91 ? 106 ASN A OD1 1 
ATOM   812  N  ND2 . ASN A 1 106 ? -32.642 -2.373  -2.927  1.00 26.59 ? 106 ASN A ND2 1 
ATOM   813  N  N   . ALA A 1 107 ? -27.918 0.045   -3.261  1.00 28.59 ? 107 ALA A N   1 
ATOM   814  C  CA  . ALA A 1 107 ? -26.787 0.906   -2.946  1.00 28.75 ? 107 ALA A CA  1 
ATOM   815  C  C   . ALA A 1 107 ? -26.366 1.745   -4.151  1.00 30.38 ? 107 ALA A C   1 
ATOM   816  O  O   . ALA A 1 107 ? -25.863 2.864   -3.980  1.00 31.03 ? 107 ALA A O   1 
ATOM   817  C  CB  . ALA A 1 107 ? -25.611 0.064   -2.455  1.00 29.00 ? 107 ALA A CB  1 
ATOM   818  N  N   . TRP A 1 108 ? -26.543 1.222   -5.371  1.00 29.56 ? 108 TRP A N   1 
ATOM   819  C  CA  . TRP A 1 108 ? -26.264 1.959   -6.606  1.00 30.57 ? 108 TRP A CA  1 
ATOM   820  C  C   . TRP A 1 108 ? -27.525 2.663   -7.100  1.00 31.07 ? 108 TRP A C   1 
ATOM   821  O  O   . TRP A 1 108 ? -28.447 2.020   -7.618  1.00 30.74 ? 108 TRP A O   1 
ATOM   822  C  CB  . TRP A 1 108 ? -25.703 1.023   -7.668  1.00 27.89 ? 108 TRP A CB  1 
ATOM   823  C  CG  . TRP A 1 108 ? -24.300 0.557   -7.358  1.00 28.59 ? 108 TRP A CG  1 
ATOM   824  C  CD1 . TRP A 1 108 ? -23.132 1.169   -7.714  1.00 28.95 ? 108 TRP A CD1 1 
ATOM   825  C  CD2 . TRP A 1 108 ? -23.930 -0.603  -6.599  1.00 27.80 ? 108 TRP A CD2 1 
ATOM   826  N  NE1 . TRP A 1 108 ? -22.058 0.448   -7.246  1.00 27.59 ? 108 TRP A NE1 1 
ATOM   827  C  CE2 . TRP A 1 108 ? -22.519 -0.641  -6.555  1.00 27.91 ? 108 TRP A CE2 1 
ATOM   828  C  CE3 . TRP A 1 108 ? -24.658 -1.619  -5.960  1.00 29.84 ? 108 TRP A CE3 1 
ATOM   829  C  CZ2 . TRP A 1 108 ? -21.819 -1.648  -5.895  1.00 28.34 ? 108 TRP A CZ2 1 
ATOM   830  C  CZ3 . TRP A 1 108 ? -23.962 -2.620  -5.312  1.00 30.53 ? 108 TRP A CZ3 1 
ATOM   831  C  CH2 . TRP A 1 108 ? -22.556 -2.627  -5.286  1.00 27.92 ? 108 TRP A CH2 1 
ATOM   832  N  N   . VAL A 1 109 ? -27.553 3.991   -6.947  1.00 28.96 ? 109 VAL A N   1 
ATOM   833  C  CA  . VAL A 1 109 ? -28.713 4.781   -7.353  1.00 29.69 ? 109 VAL A CA  1 
ATOM   834  C  C   . VAL A 1 109 ? -29.041 4.585   -8.833  1.00 28.88 ? 109 VAL A C   1 
ATOM   835  O  O   . VAL A 1 109 ? -30.218 4.500   -9.209  1.00 29.27 ? 109 VAL A O   1 
ATOM   836  C  CB  . VAL A 1 109 ? -28.487 6.263   -6.996  1.00 38.41 ? 109 VAL A CB  1 
ATOM   837  C  CG1 . VAL A 1 109 ? -27.366 6.852   -7.820  1.00 40.78 ? 109 VAL A CG1 1 
ATOM   838  C  CG2 . VAL A 1 109 ? -29.761 7.057   -7.208  1.00 42.18 ? 109 VAL A CG2 1 
ATOM   839  N  N   . ALA A 1 110 ? -28.025 4.503   -9.697  1.00 29.74 ? 110 ALA A N   1 
ATOM   840  C  CA  . ALA A 1 110 ? -28.315 4.286   -11.111 1.00 28.86 ? 110 ALA A CA  1 
ATOM   841  C  C   . ALA A 1 110 ? -28.934 2.924   -11.352 1.00 29.05 ? 110 ALA A C   1 
ATOM   842  O  O   . ALA A 1 110 ? -29.777 2.774   -12.239 1.00 28.32 ? 110 ALA A O   1 
ATOM   843  C  CB  . ALA A 1 110 ? -27.066 4.438   -11.964 1.00 31.46 ? 110 ALA A CB  1 
ATOM   844  N  N   . TRP A 1 111 ? -28.511 1.912   -10.597 1.00 27.66 ? 111 TRP A N   1 
ATOM   845  C  CA  . TRP A 1 111 ? -29.130 0.599   -10.722 1.00 27.80 ? 111 TRP A CA  1 
ATOM   846  C  C   . TRP A 1 111 ? -30.583 0.641   -10.287 1.00 28.63 ? 111 TRP A C   1 
ATOM   847  O  O   . TRP A 1 111 ? -31.466 0.113   -10.971 1.00 27.01 ? 111 TRP A O   1 
ATOM   848  C  CB  . TRP A 1 111 ? -28.384 -0.455  -9.897  1.00 25.92 ? 111 TRP A CB  1 
ATOM   849  C  CG  . TRP A 1 111 ? -29.070 -1.783  -9.972  1.00 26.92 ? 111 TRP A CG  1 
ATOM   850  C  CD1 . TRP A 1 111 ? -28.894 -2.726  -10.938 1.00 26.64 ? 111 TRP A CD1 1 
ATOM   851  C  CD2 . TRP A 1 111 ? -30.099 -2.282  -9.105  1.00 26.44 ? 111 TRP A CD2 1 
ATOM   852  N  NE1 . TRP A 1 111 ? -29.710 -3.803  -10.705 1.00 25.06 ? 111 TRP A NE1 1 
ATOM   853  C  CE2 . TRP A 1 111 ? -30.462 -3.561  -9.586  1.00 25.98 ? 111 TRP A CE2 1 
ATOM   854  C  CE3 . TRP A 1 111 ? -30.734 -1.785  -7.956  1.00 29.06 ? 111 TRP A CE3 1 
ATOM   855  C  CZ2 . TRP A 1 111 ? -31.438 -4.352  -8.962  1.00 28.06 ? 111 TRP A CZ2 1 
ATOM   856  C  CZ3 . TRP A 1 111 ? -31.698 -2.569  -7.336  1.00 28.40 ? 111 TRP A CZ3 1 
ATOM   857  C  CH2 . TRP A 1 111 ? -32.040 -3.839  -7.842  1.00 27.36 ? 111 TRP A CH2 1 
ATOM   858  N  N   . ARG A 1 112 ? -30.846 1.268   -9.142  1.00 28.36 ? 112 ARG A N   1 
ATOM   859  C  CA  . ARG A 1 112 ? -32.216 1.347   -8.656  1.00 29.17 ? 112 ARG A CA  1 
ATOM   860  C  C   . ARG A 1 112 ? -33.115 2.064   -9.652  1.00 28.76 ? 112 ARG A C   1 
ATOM   861  O  O   . ARG A 1 112 ? -34.239 1.620   -9.919  1.00 28.80 ? 112 ARG A O   1 
ATOM   862  C  CB  . ARG A 1 112 ? -32.246 2.162   -7.363  1.00 31.33 ? 112 ARG A CB  1 
ATOM   863  C  CG  . ARG A 1 112 ? -33.610 2.239   -6.731  1.00 32.11 ? 112 ARG A CG  1 
ATOM   864  C  CD  . ARG A 1 112 ? -33.555 2.890   -5.357  1.00 36.48 ? 112 ARG A CD  1 
ATOM   865  N  NE  . ARG A 1 112 ? -33.026 4.249   -5.456  1.00 42.79 ? 112 ARG A NE  1 
ATOM   866  C  CZ  . ARG A 1 112 ? -32.058 4.765   -4.712  1.00 43.75 ? 112 ARG A CZ  1 
ATOM   867  N  NH1 . ARG A 1 112 ? -31.436 4.051   -3.787  1.00 41.41 ? 112 ARG A NH1 1 
ATOM   868  N  NH2 . ARG A 1 112 ? -31.739 6.047   -4.867  1.00 41.34 ? 112 ARG A NH2 1 
ATOM   869  N  N   . ASN A 1 113 ? -32.637 3.179   -10.210 1.00 27.46 ? 113 ASN A N   1 
ATOM   870  C  CA  . ASN A 1 113 ? -33.478 3.984   -11.089 1.00 26.31 ? 113 ASN A CA  1 
ATOM   871  C  C   . ASN A 1 113 ? -33.515 3.514   -12.536 1.00 26.66 ? 113 ASN A C   1 
ATOM   872  O  O   . ASN A 1 113 ? -34.487 3.817   -13.238 1.00 26.86 ? 113 ASN A O   1 
ATOM   873  C  CB  . ASN A 1 113 ? -33.013 5.439   -11.052 1.00 26.06 ? 113 ASN A CB  1 
ATOM   874  C  CG  . ASN A 1 113 ? -33.354 6.120   -9.742  1.00 26.52 ? 113 ASN A CG  1 
ATOM   875  O  OD1 . ASN A 1 113 ? -34.342 5.771   -9.091  1.00 29.88 ? 113 ASN A OD1 1 
ATOM   876  N  ND2 . ASN A 1 113 ? -32.543 7.096   -9.349  1.00 29.40 ? 113 ASN A ND2 1 
ATOM   877  N  N   . ARG A 1 114 ? -32.503 2.778   -13.000 1.00 23.97 ? 114 ARG A N   1 
ATOM   878  C  CA  . ARG A 1 114 ? -32.405 2.449   -14.411 1.00 23.91 ? 114 ARG A CA  1 
ATOM   879  C  C   . ARG A 1 114 ? -32.290 0.965   -14.727 1.00 23.95 ? 114 ARG A C   1 
ATOM   880  O  O   . ARG A 1 114 ? -32.433 0.595   -15.900 1.00 24.69 ? 114 ARG A O   1 
ATOM   881  C  CB  . ARG A 1 114 ? -31.204 3.194   -15.012 1.00 24.58 ? 114 ARG A CB  1 
ATOM   882  C  CG  . ARG A 1 114 ? -31.333 4.703   -14.812 1.00 23.78 ? 114 ARG A CG  1 
ATOM   883  C  CD  . ARG A 1 114 ? -30.185 5.511   -15.393 1.00 23.94 ? 114 ARG A CD  1 
ATOM   884  N  NE  . ARG A 1 114 ? -30.218 5.619   -16.848 1.00 24.39 ? 114 ARG A NE  1 
ATOM   885  C  CZ  . ARG A 1 114 ? -29.328 6.303   -17.553 1.00 24.87 ? 114 ARG A CZ  1 
ATOM   886  N  NH1 . ARG A 1 114 ? -28.329 6.944   -16.964 1.00 25.17 ? 114 ARG A NH1 1 
ATOM   887  N  NH2 . ARG A 1 114 ? -29.444 6.350   -18.878 1.00 26.41 ? 114 ARG A NH2 1 
ATOM   888  N  N   . CYS A 1 115 ? -31.985 0.114   -13.753 1.00 30.72 ? 115 CYS A N   1 
ATOM   889  C  CA  . CYS A 1 115 ? -31.809 -1.306  -14.039 1.00 29.52 ? 115 CYS A CA  1 
ATOM   890  C  C   . CYS A 1 115 ? -32.832 -2.159  -13.317 1.00 30.96 ? 115 CYS A C   1 
ATOM   891  O  O   . CYS A 1 115 ? -33.326 -3.138  -13.882 1.00 32.19 ? 115 CYS A O   1 
ATOM   892  C  CB  . CYS A 1 115 ? -30.402 -1.781  -13.637 1.00 27.87 ? 115 CYS A CB  1 
ATOM   893  S  SG  . CYS A 1 115 ? -29.003 -0.922  -14.427 1.00 28.51 ? 115 CYS A SG  1 
ATOM   894  N  N   . LYS A 1 116 ? -33.118 -1.828  -12.058 1.00 29.51 ? 116 LYS A N   1 
ATOM   895  C  CA  . LYS A 1 116 ? -34.016 -2.610  -11.224 1.00 30.81 ? 116 LYS A CA  1 
ATOM   896  C  C   . LYS A 1 116 ? -35.351 -2.824  -11.920 1.00 31.50 ? 116 LYS A C   1 
ATOM   897  O  O   . LYS A 1 116 ? -36.020 -1.863  -12.312 1.00 31.74 ? 116 LYS A O   1 
ATOM   898  C  CB  . LYS A 1 116 ? -34.222 -1.901  -9.885  1.00 26.36 ? 116 LYS A CB  1 
ATOM   899  C  CG  . LYS A 1 116 ? -35.064 -2.673  -8.870  1.00 29.94 ? 116 LYS A CG  1 
ATOM   900  C  CD  . LYS A 1 116 ? -35.076 -1.897  -7.554  1.00 29.97 ? 116 LYS A CD  1 
ATOM   901  C  CE  . LYS A 1 116 ? -35.802 -2.620  -6.437  1.00 30.10 ? 116 LYS A CE  1 
ATOM   902  N  NZ  . LYS A 1 116 ? -35.798 -1.796  -5.178  1.00 31.28 ? 116 LYS A NZ  1 
ATOM   903  N  N   . GLY A 1 117 ? -35.749 -4.087  -12.043 1.00 33.52 ? 117 GLY A N   1 
ATOM   904  C  CA  . GLY A 1 117 ? -37.017 -4.429  -12.651 1.00 35.09 ? 117 GLY A CA  1 
ATOM   905  C  C   . GLY A 1 117 ? -37.023 -4.451  -14.163 1.00 35.83 ? 117 GLY A C   1 
ATOM   906  O  O   . GLY A 1 117 ? -38.069 -4.747  -14.757 1.00 37.49 ? 117 GLY A O   1 
ATOM   907  N  N   . THR A 1 118 ? -35.909 -4.119  -14.805 1.00 38.88 ? 118 THR A N   1 
ATOM   908  C  CA  . THR A 1 118 ? -35.813 -4.108  -16.256 1.00 38.68 ? 118 THR A CA  1 
ATOM   909  C  C   . THR A 1 118 ? -35.243 -5.428  -16.755 1.00 38.44 ? 118 THR A C   1 
ATOM   910  O  O   . THR A 1 118 ? -34.831 -6.297  -15.982 1.00 37.58 ? 118 THR A O   1 
ATOM   911  C  CB  . THR A 1 118 ? -34.935 -2.952  -16.738 1.00 37.39 ? 118 THR A CB  1 
ATOM   912  O  OG1 . THR A 1 118 ? -33.551 -3.260  -16.478 1.00 35.90 ? 118 THR A OG1 1 
ATOM   913  C  CG2 . THR A 1 118 ? -35.352 -1.619  -16.073 1.00 38.03 ? 118 THR A CG2 1 
ATOM   914  N  N   . ASP A 1 119 ? -35.234 -5.572  -18.080 1.00 40.42 ? 119 ASP A N   1 
ATOM   915  C  CA  . ASP A 1 119 ? -34.702 -6.764  -18.740 1.00 41.26 ? 119 ASP A CA  1 
ATOM   916  C  C   . ASP A 1 119 ? -33.169 -6.676  -18.720 1.00 41.71 ? 119 ASP A C   1 
ATOM   917  O  O   . ASP A 1 119 ? -32.515 -6.367  -19.721 1.00 41.56 ? 119 ASP A O   1 
ATOM   918  C  CB  . ASP A 1 119 ? -35.274 -6.869  -20.150 1.00 41.87 ? 119 ASP A CB  1 
ATOM   919  C  CG  . ASP A 1 119 ? -34.738 -8.061  -20.926 1.00 49.83 ? 119 ASP A CG  1 
ATOM   920  O  OD1 . ASP A 1 119 ? -34.267 -9.046  -20.309 1.00 52.25 ? 119 ASP A OD1 1 
ATOM   921  O  OD2 . ASP A 1 119 ? -34.802 -8.008  -22.174 1.00 50.80 ? 119 ASP A OD2 1 
ATOM   922  N  N   . VAL A 1 120 ? -32.579 -6.962  -17.551 1.00 38.73 ? 120 VAL A N   1 
ATOM   923  C  CA  . VAL A 1 120 ? -31.126 -6.815  -17.383 1.00 39.03 ? 120 VAL A CA  1 
ATOM   924  C  C   . VAL A 1 120 ? -30.359 -7.859  -18.178 1.00 39.13 ? 120 VAL A C   1 
ATOM   925  O  O   . VAL A 1 120 ? -29.173 -7.670  -18.485 1.00 39.12 ? 120 VAL A O   1 
ATOM   926  C  CB  . VAL A 1 120 ? -30.722 -6.895  -15.896 1.00 38.01 ? 120 VAL A CB  1 
ATOM   927  C  CG1 . VAL A 1 120 ? -31.340 -5.741  -15.116 1.00 37.00 ? 120 VAL A CG1 1 
ATOM   928  C  CG2 . VAL A 1 120 ? -31.111 -8.256  -15.294 1.00 41.52 ? 120 VAL A CG2 1 
ATOM   929  N  N   . GLN A 1 121 ? -31.029 -8.928  -18.581 1.00 40.59 ? 121 GLN A N   1 
ATOM   930  C  CA  . GLN A 1 121 ? -30.396 -9.905  -19.442 1.00 39.64 ? 121 GLN A CA  1 
ATOM   931  C  C   . GLN A 1 121 ? -29.926 -9.314  -20.756 1.00 39.48 ? 121 GLN A C   1 
ATOM   932  O  O   . GLN A 1 121 ? -28.920 -9.779  -21.316 1.00 40.05 ? 121 GLN A O   1 
ATOM   933  C  CB  . GLN A 1 121 ? -31.431 -10.996 -19.692 1.00 45.80 ? 121 GLN A CB  1 
ATOM   934  C  CG  . GLN A 1 121 ? -30.980 -12.157 -20.476 1.00 51.67 ? 121 GLN A CG  1 
ATOM   935  C  CD  . GLN A 1 121 ? -31.280 -11.822 -21.939 1.00 56.25 ? 121 GLN A CD  1 
ATOM   936  O  OE1 . GLN A 1 121 ? -30.523 -12.146 -22.848 1.00 59.38 ? 121 GLN A OE1 1 
ATOM   937  N  NE2 . GLN A 1 121 ? -32.382 -11.089 -22.145 1.00 61.25 ? 121 GLN A NE2 1 
ATOM   938  N  N   . ALA A 1 122 ? -30.586 -8.261  -21.228 1.00 40.49 ? 122 ALA A N   1 
ATOM   939  C  CA  . ALA A 1 122 ? -30.126 -7.607  -22.438 1.00 40.81 ? 122 ALA A CA  1 
ATOM   940  C  C   . ALA A 1 122 ? -28.661 -7.211  -22.350 1.00 41.50 ? 122 ALA A C   1 
ATOM   941  O  O   . ALA A 1 122 ? -27.941 -7.268  -23.346 1.00 41.97 ? 122 ALA A O   1 
ATOM   942  C  CB  . ALA A 1 122 ? -30.991 -6.380  -22.718 1.00 40.04 ? 122 ALA A CB  1 
ATOM   943  N  N   . TRP A 1 123 ? -28.188 -6.846  -21.160 1.00 36.92 ? 123 TRP A N   1 
ATOM   944  C  CA  . TRP A 1 123 ? -26.799 -6.418  -21.017 1.00 37.16 ? 123 TRP A CA  1 
ATOM   945  C  C   . TRP A 1 123 ? -25.749 -7.502  -21.229 1.00 37.77 ? 123 TRP A C   1 
ATOM   946  O  O   . TRP A 1 123 ? -24.589 -7.156  -21.462 1.00 37.08 ? 123 TRP A O   1 
ATOM   947  C  CB  . TRP A 1 123 ? -26.631 -5.690  -19.689 1.00 35.08 ? 123 TRP A CB  1 
ATOM   948  C  CG  . TRP A 1 123 ? -27.408 -4.414  -19.751 1.00 35.72 ? 123 TRP A CG  1 
ATOM   949  C  CD1 . TRP A 1 123 ? -28.619 -4.137  -19.171 1.00 37.24 ? 123 TRP A CD1 1 
ATOM   950  C  CD2 . TRP A 1 123 ? -27.025 -3.232  -20.466 1.00 36.23 ? 123 TRP A CD2 1 
ATOM   951  N  NE1 . TRP A 1 123 ? -29.010 -2.853  -19.487 1.00 36.43 ? 123 TRP A NE1 1 
ATOM   952  C  CE2 . TRP A 1 123 ? -28.050 -2.276  -20.276 1.00 38.45 ? 123 TRP A CE2 1 
ATOM   953  C  CE3 . TRP A 1 123 ? -25.912 -2.887  -21.243 1.00 37.09 ? 123 TRP A CE3 1 
ATOM   954  C  CZ2 . TRP A 1 123 ? -27.993 -0.998  -20.834 1.00 39.42 ? 123 TRP A CZ2 1 
ATOM   955  C  CZ3 . TRP A 1 123 ? -25.858 -1.614  -21.802 1.00 42.26 ? 123 TRP A CZ3 1 
ATOM   956  C  CH2 . TRP A 1 123 ? -26.890 -0.685  -21.590 1.00 40.68 ? 123 TRP A CH2 1 
ATOM   957  N  N   . ILE A 1 124 ? -26.094 -8.786  -21.219 1.00 36.99 ? 124 ILE A N   1 
ATOM   958  C  CA  . ILE A 1 124 ? -25.060 -9.783  -21.472 1.00 38.07 ? 124 ILE A CA  1 
ATOM   959  C  C   . ILE A 1 124 ? -25.294 -10.515 -22.780 1.00 39.36 ? 124 ILE A C   1 
ATOM   960  O  O   . ILE A 1 124 ? -24.639 -11.528 -23.048 1.00 38.76 ? 124 ILE A O   1 
ATOM   961  C  CB  . ILE A 1 124 ? -24.888 -10.766 -20.302 1.00 38.61 ? 124 ILE A CB  1 
ATOM   962  C  CG1 . ILE A 1 124 ? -26.200 -11.463 -19.961 1.00 41.28 ? 124 ILE A CG1 1 
ATOM   963  C  CG2 . ILE A 1 124 ? -24.312 -10.050 -19.091 1.00 37.85 ? 124 ILE A CG2 1 
ATOM   964  C  CD1 . ILE A 1 124 ? -26.052 -12.482 -18.853 1.00 48.74 ? 124 ILE A CD1 1 
ATOM   965  N  N   . ARG A 1 125 ? -26.215 -10.028 -23.601 1.00 35.32 ? 125 ARG A N   1 
ATOM   966  C  CA  . ARG A 1 125 ? -26.514 -10.683 -24.864 1.00 36.26 ? 125 ARG A CA  1 
ATOM   967  C  C   . ARG A 1 125 ? -25.275 -10.663 -25.748 1.00 36.50 ? 125 ARG A C   1 
ATOM   968  O  O   . ARG A 1 125 ? -24.542 -9.671  -25.801 1.00 36.91 ? 125 ARG A O   1 
ATOM   969  C  CB  . ARG A 1 125 ? -27.705 -10.009 -25.565 1.00 44.14 ? 125 ARG A CB  1 
ATOM   970  C  CG  . ARG A 1 125 ? -27.401 -8.919  -26.631 1.00 56.02 ? 125 ARG A CG  1 
ATOM   971  C  CD  . ARG A 1 125 ? -27.054 -7.571  -25.997 1.00 64.92 ? 125 ARG A CD  1 
ATOM   972  N  NE  . ARG A 1 125 ? -27.386 -6.396  -26.800 1.00 70.49 ? 125 ARG A NE  1 
ATOM   973  C  CZ  . ARG A 1 125 ? -26.779 -6.040  -27.925 1.00 74.70 ? 125 ARG A CZ  1 
ATOM   974  N  NH1 . ARG A 1 125 ? -25.784 -6.750  -28.432 1.00 79.41 ? 125 ARG A NH1 1 
ATOM   975  N  NH2 . ARG A 1 125 ? -27.179 -4.938  -28.556 1.00 78.09 ? 125 ARG A NH2 1 
ATOM   976  N  N   . GLY A 1 126 ? -24.986 -11.812 -26.353 1.00 42.33 ? 126 GLY A N   1 
ATOM   977  C  CA  . GLY A 1 126 ? -23.854 -11.980 -27.231 1.00 43.06 ? 126 GLY A CA  1 
ATOM   978  C  C   . GLY A 1 126 ? -22.521 -12.241 -26.574 1.00 43.40 ? 126 GLY A C   1 
ATOM   979  O  O   . GLY A 1 126 ? -21.555 -12.536 -27.289 1.00 45.04 ? 126 GLY A O   1 
ATOM   980  N  N   . CYS A 1 127 ? -22.412 -12.143 -25.252 1.00 41.16 ? 127 CYS A N   1 
ATOM   981  C  CA  . CYS A 1 127 ? -21.122 -12.359 -24.607 1.00 41.68 ? 127 CYS A CA  1 
ATOM   982  C  C   . CYS A 1 127 ? -20.883 -13.854 -24.410 1.00 42.12 ? 127 CYS A C   1 
ATOM   983  O  O   . CYS A 1 127 ? -21.787 -14.592 -24.005 1.00 42.00 ? 127 CYS A O   1 
ATOM   984  C  CB  . CYS A 1 127 ? -21.062 -11.611 -23.278 1.00 41.39 ? 127 CYS A CB  1 
ATOM   985  S  SG  . CYS A 1 127 ? -21.442 -9.843  -23.454 1.00 39.23 ? 127 CYS A SG  1 
ATOM   986  N  N   . ARG A 1 128 ? -19.654 -14.301 -24.674 1.00 34.12 ? 128 ARG A N   1 
ATOM   987  C  CA  . ARG A 1 128 ? -19.315 -15.704 -24.456 1.00 36.56 ? 128 ARG A CA  1 
ATOM   988  C  C   . ARG A 1 128 ? -19.244 -16.048 -22.974 1.00 38.42 ? 128 ARG A C   1 
ATOM   989  O  O   . ARG A 1 128 ? -18.190 -15.898 -22.345 1.00 39.63 ? 128 ARG A O   1 
ATOM   990  C  CB  . ARG A 1 128 ? -17.990 -16.047 -25.135 1.00 35.74 ? 128 ARG A CB  1 
ATOM   991  C  CG  . ARG A 1 128 ? -17.980 -15.825 -26.642 1.00 48.85 ? 128 ARG A CG  1 
ATOM   992  C  CD  . ARG A 1 128 ? -16.552 -15.722 -27.140 1.00 59.39 ? 128 ARG A CD  1 
ATOM   993  N  NE  . ARG A 1 128 ? -16.386 -14.936 -28.358 1.00 64.83 ? 128 ARG A NE  1 
ATOM   994  C  CZ  . ARG A 1 128 ? -16.683 -15.366 -29.578 1.00 66.41 ? 128 ARG A CZ  1 
ATOM   995  N  NH1 . ARG A 1 128 ? -17.158 -16.586 -29.787 1.00 66.54 ? 128 ARG A NH1 1 
ATOM   996  N  NH2 . ARG A 1 128 ? -16.483 -14.558 -30.617 1.00 71.19 ? 128 ARG A NH2 1 
ATOM   997  N  N   . LEU A 1 129 ? -20.350 -16.518 -22.410 1.00 49.22 ? 129 LEU A N   1 
ATOM   998  C  CA  . LEU A 1 129 ? -20.430 -16.735 -20.965 1.00 49.22 ? 129 LEU A CA  1 
ATOM   999  C  C   . LEU A 1 129 ? -21.060 -18.105 -20.625 1.00 49.22 ? 129 LEU A C   1 
ATOM   1000 O  O   . LEU A 1 129 ? -20.801 -19.121 -21.286 1.00 49.22 ? 129 LEU A O   1 
ATOM   1001 C  CB  . LEU A 1 129 ? -21.221 -15.595 -20.298 1.00 49.22 ? 129 LEU A CB  1 
ATOM   1002 C  CG  . LEU A 1 129 ? -20.613 -14.190 -20.393 1.00 49.22 ? 129 LEU A CG  1 
ATOM   1003 C  CD1 . LEU A 1 129 ? -21.641 -13.113 -20.062 1.00 49.22 ? 129 LEU A CD1 1 
ATOM   1004 C  CD2 . LEU A 1 129 ? -19.407 -14.077 -19.484 1.00 49.22 ? 129 LEU A CD2 1 
ATOM   1005 O  OXT . LEU A 1 129 ? -21.844 -18.240 -19.675 1.00 49.22 ? 129 LEU A OXT 1 
HETATM 1006 C  C1  . NAG B 2 .   ? -24.276 5.705   -2.457  1.00 42.50 ? 1   NAG E C1  1 
HETATM 1007 C  C2  . NAG B 2 .   ? -23.650 4.419   -1.907  1.00 42.50 ? 1   NAG E C2  1 
HETATM 1008 C  C3  . NAG B 2 .   ? -24.505 3.862   -0.768  1.00 42.50 ? 1   NAG E C3  1 
HETATM 1009 C  C4  . NAG B 2 .   ? -24.878 4.950   0.234   1.00 42.50 ? 1   NAG E C4  1 
HETATM 1010 C  C5  . NAG B 2 .   ? -25.269 6.298   -0.375  1.00 42.50 ? 1   NAG E C5  1 
HETATM 1011 C  C6  . NAG B 2 .   ? -25.253 7.425   0.631   1.00 42.50 ? 1   NAG E C6  1 
HETATM 1012 C  C7  . NAG B 2 .   ? -22.250 3.028   -3.329  1.00 42.50 ? 1   NAG E C7  1 
HETATM 1013 C  C8  . NAG B 2 .   ? -22.200 2.014   -4.432  1.00 42.50 ? 1   NAG E C8  1 
HETATM 1014 N  N2  . NAG B 2 .   ? -23.457 3.431   -2.962  1.00 42.50 ? 1   NAG E N2  1 
HETATM 1015 O  O1  . NAG B 2 .   ? -23.556 6.257   -3.516  1.00 42.50 ? 1   NAG E O1  1 
HETATM 1016 O  O3  . NAG B 2 .   ? -23.798 2.823   -0.104  1.00 42.50 ? 1   NAG E O3  1 
HETATM 1017 O  O4  . NAG B 2 .   ? -25.988 4.523   1.021   1.00 42.50 ? 1   NAG E O4  1 
HETATM 1018 O  O5  . NAG B 2 .   ? -24.340 6.655   -1.410  1.00 42.50 ? 1   NAG E O5  1 
HETATM 1019 O  O6  . NAG B 2 .   ? -23.951 7.569   1.184   1.00 42.50 ? 1   NAG E O6  1 
HETATM 1020 O  O7  . NAG B 2 .   ? -21.235 3.461   -2.805  1.00 42.50 ? 1   NAG E O7  1 
HETATM 1021 C  C1  . NAG B 2 .   ? -25.719 4.119   2.332   1.00 42.50 ? 2   NAG E C1  1 
HETATM 1022 C  C2  . NAG B 2 .   ? -27.045 4.092   3.074   1.00 42.50 ? 2   NAG E C2  1 
HETATM 1023 C  C3  . NAG B 2 .   ? -26.881 3.494   4.471   1.00 42.50 ? 2   NAG E C3  1 
HETATM 1024 C  C4  . NAG B 2 .   ? -26.094 2.192   4.421   1.00 42.50 ? 2   NAG E C4  1 
HETATM 1025 C  C5  . NAG B 2 .   ? -24.768 2.409   3.697   1.00 42.50 ? 2   NAG E C5  1 
HETATM 1026 C  C6  . NAG B 2 .   ? -23.958 1.142   3.561   1.00 42.50 ? 2   NAG E C6  1 
HETATM 1027 C  C7  . NAG B 2 .   ? -28.588 5.850   2.383   1.00 42.50 ? 2   NAG E C7  1 
HETATM 1028 C  C8  . NAG B 2 .   ? -29.007 7.280   2.557   1.00 42.50 ? 2   NAG E C8  1 
HETATM 1029 N  N2  . NAG B 2 .   ? -27.584 5.444   3.145   1.00 42.50 ? 2   NAG E N2  1 
HETATM 1030 O  O3  . NAG B 2 .   ? -28.163 3.311   5.061   1.00 42.50 ? 2   NAG E O3  1 
HETATM 1031 O  O4  . NAG B 2 .   ? -25.760 1.773   5.747   1.00 42.50 ? 2   NAG E O4  1 
HETATM 1032 O  O5  . NAG B 2 .   ? -25.033 2.875   2.366   1.00 42.50 ? 2   NAG E O5  1 
HETATM 1033 O  O6  . NAG B 2 .   ? -24.667 0.185   2.783   1.00 42.50 ? 2   NAG E O6  1 
HETATM 1034 O  O7  . NAG B 2 .   ? -29.133 5.107   1.574   1.00 42.50 ? 2   NAG E O7  1 
HETATM 1035 C  C1  . NAG B 2 .   ? -26.245 0.515   6.125   1.00 42.50 ? 3   NAG E C1  1 
HETATM 1036 C  C2  . NAG B 2 .   ? -25.554 0.077   7.400   1.00 42.50 ? 3   NAG E C2  1 
HETATM 1037 C  C3  . NAG B 2 .   ? -26.109 -1.268  7.880   1.00 42.50 ? 3   NAG E C3  1 
HETATM 1038 C  C4  . NAG B 2 .   ? -27.619 -1.482  7.710   1.00 42.50 ? 3   NAG E C4  1 
HETATM 1039 C  C5  . NAG B 2 .   ? -28.243 -0.696  6.552   1.00 42.50 ? 3   NAG E C5  1 
HETATM 1040 C  C6  . NAG B 2 .   ? -29.724 -0.444  6.723   1.00 42.50 ? 3   NAG E C6  1 
HETATM 1041 C  C7  . NAG B 2 .   ? -23.261 0.879   7.726   1.00 42.50 ? 3   NAG E C7  1 
HETATM 1042 C  C8  . NAG B 2 .   ? -21.819 0.691   7.363   1.00 42.50 ? 3   NAG E C8  1 
HETATM 1043 N  N2  . NAG B 2 .   ? -24.110 0.010   7.189   1.00 42.50 ? 3   NAG E N2  1 
HETATM 1044 O  O3  . NAG B 2 .   ? -25.716 -1.472  9.234   1.00 42.50 ? 3   NAG E O3  1 
HETATM 1045 O  O4  . NAG B 2 .   ? -27.864 -2.870  7.487   1.00 42.50 ? 3   NAG E O4  1 
HETATM 1046 O  O5  . NAG B 2 .   ? -27.639 0.590   6.369   1.00 42.50 ? 3   NAG E O5  1 
HETATM 1047 O  O6  . NAG B 2 .   ? -30.238 0.339   5.652   1.00 42.50 ? 3   NAG E O6  1 
HETATM 1048 O  O7  . NAG B 2 .   ? -23.629 1.792   8.457   1.00 42.50 ? 3   NAG E O7  1 
HETATM 1049 NA NA  . NA  C 3 .   ? -12.481 8.652   3.568   1.00 50.32 ? 201 NA  A NA  1 
HETATM 1050 O  O   . HOH D 4 .   ? -12.444 10.715  -13.142 1.00 29.32 ? 301 HOH A O   1 
HETATM 1051 O  O   . HOH D 4 .   ? -30.805 -10.670 -4.580  1.00 16.37 ? 302 HOH A O   1 
HETATM 1052 O  O   . HOH D 4 .   ? -30.969 -11.376 -10.255 1.00 24.18 ? 303 HOH A O   1 
HETATM 1053 O  O   . HOH D 4 .   ? -28.484 -11.559 -16.430 1.00 28.23 ? 304 HOH A O   1 
# 
