data_7I20
# 
_entry.id   7I20 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   7I20         pdb_00007i20 10.2210/pdb7i20/pdb 
WWPDB D_1001408215 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-03-05 ? 
2 'Structure model' 1 1 2025-05-28 ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Structure summary' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            pdbx_deposit_group 
# 
_pdbx_audit_revision_item.ordinal             1 
_pdbx_audit_revision_item.revision_ordinal    2 
_pdbx_audit_revision_item.data_content_type   'Structure model' 
_pdbx_audit_revision_item.item                '_pdbx_deposit_group.group_description' 
# 
_pdbx_database_status.entry_id                        7I20 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2025-02-20 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           N 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              frankfurt.von-delft@diamond.ac.uk 
_pdbx_contact_author.name_first         Frank 
_pdbx_contact_author.name_last          'von Delft' 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-0378-0017 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Ni, X.'              1  
'Marples, P.G.'       2  
'Godoy, A.S.'         3  
'Koekemoer, L.'       4  
'Aschenbrenner, J.C.' 5  
'Balcomb, B.H.'       6  
'Fairhead, M.'        7  
'Lithgo, R.M.'        8  
'Balaji, G.'          9  
'Phelps, J.'          10 
'Thompson, W.'        11 
'Tomlinson, C.W.E.'   12 
'Wild, C.'            13 
'Winokan, M.'         14 
'Williams, E.P.'      15 
'Chandran, A.V.'      16 
'Walsh, M.A.'         17 
'Fearon, D.'          18 
'von Delft, F.'       19 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Ni, X.'              ? 1  
primary 'Marples, P.G.'       ? 2  
primary 'Godoy, A.S.'         ? 3  
primary 'Koekemoer, L.'       ? 4  
primary 'Aschenbrenner, J.C.' ? 5  
primary 'Balcomb, B.H.'       ? 6  
primary 'Fairhead, M.'        ? 7  
primary 'Lithgo, R.M.'        ? 8  
primary 'Balaji, G.'          ? 9  
primary 'Phelps, J.'          ? 10 
primary 'Thompson, W.'        ? 11 
primary 'Tomlinson, C.W.E.'   ? 12 
primary 'Wild, C.'            ? 13 
primary 'Winokan, M.'         ? 14 
primary 'Williams, E.P.'      ? 15 
primary 'Chandran, A.V.'      ? 16 
primary 'Walsh, M.A.'         ? 17 
primary 'Fearon, D.'          ? 18 
primary 'von Delft, F.'       ? 19 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'Serine protease subunit NS2B'                                                           5067.486  1  ? ?    ? ? 
2 polymer     man 'Serine protease NS3'                                                                    18117.629 1  
3.4.21.91,3.6.1.15,3.6.4.13 None ? ? 
3 non-polymer syn 'DIMETHYL SULFOXIDE'                                                                     78.133    3  ? ?    ? ? 
4 non-polymer syn '1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one' 299.368   1  ? ?    ? ? 
5 water       nat water                                                                                    18.015    94 ? ?    ? ? 
# 
loop_
_entity_name_com.entity_id 
_entity_name_com.name 
1 'Flavivirin protease NS2B regulatory subunit,Non-structural protein 2B' 
2 'Flavivirin protease NS3 catalytic subunit,Non-structural protein 3'    
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE A ? 
2 'polypeptide(L)' no no 
;MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAW
DGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGK
REEETPVE
;
;MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAW
DGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGK
REEETPVE
;
B ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 'DIMETHYL SULFOXIDE'                                                                     DMS   
4 '1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one' A1BXR 
5 water                                                                                    HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   SER n 
1 2   MET n 
1 3   GLY n 
1 4   LYS n 
1 5   SER n 
1 6   VAL n 
1 7   ASP n 
1 8   MET n 
1 9   TYR n 
1 10  ILE n 
1 11  GLU n 
1 12  ARG n 
1 13  ALA n 
1 14  GLY n 
1 15  ASP n 
1 16  ILE n 
1 17  THR n 
1 18  TRP n 
1 19  GLU n 
1 20  LYS n 
1 21  ASP n 
1 22  ALA n 
1 23  GLU n 
1 24  VAL n 
1 25  THR n 
1 26  GLY n 
1 27  ASN n 
1 28  SER n 
1 29  PRO n 
1 30  ARG n 
1 31  LEU n 
1 32  ASP n 
1 33  VAL n 
1 34  ALA n 
1 35  LEU n 
1 36  ASP n 
1 37  GLU n 
1 38  SER n 
1 39  GLY n 
1 40  ASP n 
1 41  PHE n 
1 42  SER n 
1 43  LEU n 
1 44  VAL n 
1 45  GLU n 
1 46  GLU n 
2 1   MET n 
2 2   LYS n 
2 3   GLU n 
2 4   VAL n 
2 5   LYS n 
2 6   LYS n 
2 7   GLY n 
2 8   GLU n 
2 9   THR n 
2 10  THR n 
2 11  ASP n 
2 12  GLY n 
2 13  VAL n 
2 14  TYR n 
2 15  ARG n 
2 16  VAL n 
2 17  MET n 
2 18  THR n 
2 19  ARG n 
2 20  ARG n 
2 21  LEU n 
2 22  LEU n 
2 23  GLY n 
2 24  SER n 
2 25  THR n 
2 26  GLN n 
2 27  VAL n 
2 28  GLY n 
2 29  VAL n 
2 30  GLY n 
2 31  VAL n 
2 32  MET n 
2 33  GLN n 
2 34  GLU n 
2 35  GLY n 
2 36  VAL n 
2 37  PHE n 
2 38  HIS n 
2 39  THR n 
2 40  MET n 
2 41  TRP n 
2 42  HIS n 
2 43  VAL n 
2 44  THR n 
2 45  LYS n 
2 46  GLY n 
2 47  ALA n 
2 48  ALA n 
2 49  LEU n 
2 50  ARG n 
2 51  SER n 
2 52  GLY n 
2 53  GLU n 
2 54  GLY n 
2 55  ARG n 
2 56  LEU n 
2 57  ASP n 
2 58  PRO n 
2 59  TYR n 
2 60  TRP n 
2 61  GLY n 
2 62  ASP n 
2 63  VAL n 
2 64  LYS n 
2 65  GLN n 
2 66  ASP n 
2 67  LEU n 
2 68  VAL n 
2 69  SER n 
2 70  TYR n 
2 71  CYS n 
2 72  GLY n 
2 73  PRO n 
2 74  TRP n 
2 75  LYS n 
2 76  LEU n 
2 77  ASP n 
2 78  ALA n 
2 79  ALA n 
2 80  TRP n 
2 81  ASP n 
2 82  GLY n 
2 83  LEU n 
2 84  SER n 
2 85  GLU n 
2 86  VAL n 
2 87  GLN n 
2 88  LEU n 
2 89  LEU n 
2 90  ALA n 
2 91  VAL n 
2 92  PRO n 
2 93  PRO n 
2 94  GLY n 
2 95  GLU n 
2 96  ARG n 
2 97  ALA n 
2 98  LYS n 
2 99  ASN n 
2 100 ILE n 
2 101 GLN n 
2 102 THR n 
2 103 LEU n 
2 104 PRO n 
2 105 GLY n 
2 106 ILE n 
2 107 PHE n 
2 108 LYS n 
2 109 THR n 
2 110 LYS n 
2 111 ASP n 
2 112 GLY n 
2 113 ASP n 
2 114 ILE n 
2 115 GLY n 
2 116 ALA n 
2 117 VAL n 
2 118 ALA n 
2 119 LEU n 
2 120 ASP n 
2 121 TYR n 
2 122 PRO n 
2 123 ALA n 
2 124 GLY n 
2 125 THR n 
2 126 SER n 
2 127 GLY n 
2 128 SER n 
2 129 PRO n 
2 130 ILE n 
2 131 LEU n 
2 132 ASP n 
2 133 LYS n 
2 134 CYS n 
2 135 GLY n 
2 136 ARG n 
2 137 VAL n 
2 138 ILE n 
2 139 GLY n 
2 140 LEU n 
2 141 TYR n 
2 142 GLY n 
2 143 ASN n 
2 144 GLY n 
2 145 VAL n 
2 146 VAL n 
2 147 ILE n 
2 148 LYS n 
2 149 ASN n 
2 150 GLY n 
2 151 SER n 
2 152 TYR n 
2 153 VAL n 
2 154 SER n 
2 155 ALA n 
2 156 ILE n 
2 157 THR n 
2 158 GLN n 
2 159 GLY n 
2 160 LYS n 
2 161 ARG n 
2 162 GLU n 
2 163 GLU n 
2 164 GLU n 
2 165 THR n 
2 166 PRO n 
2 167 VAL n 
2 168 GLU n 
# 
loop_
_entity_src_gen.entity_id 
_entity_src_gen.pdbx_src_id 
_entity_src_gen.pdbx_alt_source_flag 
_entity_src_gen.pdbx_seq_type 
_entity_src_gen.pdbx_beg_seq_num 
_entity_src_gen.pdbx_end_seq_num 
_entity_src_gen.gene_src_common_name 
_entity_src_gen.gene_src_genus 
_entity_src_gen.pdbx_gene_src_gene 
_entity_src_gen.gene_src_species 
_entity_src_gen.gene_src_strain 
_entity_src_gen.gene_src_tissue 
_entity_src_gen.gene_src_tissue_fraction 
_entity_src_gen.gene_src_details 
_entity_src_gen.pdbx_gene_src_fragment 
_entity_src_gen.pdbx_gene_src_scientific_name 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 
_entity_src_gen.pdbx_gene_src_variant 
_entity_src_gen.pdbx_gene_src_cell_line 
_entity_src_gen.pdbx_gene_src_atcc 
_entity_src_gen.pdbx_gene_src_organ 
_entity_src_gen.pdbx_gene_src_organelle 
_entity_src_gen.pdbx_gene_src_cell 
_entity_src_gen.pdbx_gene_src_cellular_location 
_entity_src_gen.host_org_common_name 
_entity_src_gen.pdbx_host_org_scientific_name 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 
_entity_src_gen.host_org_genus 
_entity_src_gen.pdbx_host_org_gene 
_entity_src_gen.pdbx_host_org_organ 
_entity_src_gen.host_org_species 
_entity_src_gen.pdbx_host_org_tissue 
_entity_src_gen.pdbx_host_org_tissue_fraction 
_entity_src_gen.pdbx_host_org_strain 
_entity_src_gen.pdbx_host_org_variant 
_entity_src_gen.pdbx_host_org_cell_line 
_entity_src_gen.pdbx_host_org_atcc 
_entity_src_gen.pdbx_host_org_culture_collection 
_entity_src_gen.pdbx_host_org_cell 
_entity_src_gen.pdbx_host_org_organelle 
_entity_src_gen.pdbx_host_org_cellular_location 
_entity_src_gen.pdbx_host_org_vector_type 
_entity_src_gen.pdbx_host_org_vector 
_entity_src_gen.host_org_details 
_entity_src_gen.expression_system_id 
_entity_src_gen.plasmid_name 
_entity_src_gen.plasmid_details 
_entity_src_gen.pdbx_description 
1 1 sample 'Biological sequence' 1 46  ? ? ? ? ? ? ? ? ? 'Zika virus' 64320 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? 
? ? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 168 ? ? ? ? ? ? ? ? ? 'Zika virus' 64320 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? 
? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
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 
A1BXR non-polymer         . '1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one' ? 
'C17 H21 N3 O2'  299.368 
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 
DMS   non-polymer         . 'DIMETHYL SULFOXIDE'                                                                     ? 'C2 H6 O S' 
78.133  
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 
PHE   'L-peptide linking' y PHENYLALANINE                                                                            ? 
'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE                                                                                  ? 
'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE                                                                                   ? 
'C3 H7 N O3'     105.093 
THR   'L-peptide linking' y THREONINE                                                                                ? 
'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                                                                               ? 
'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE                                                                                 ? 
'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE                                                                                   ? 
'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   SER 1   44  ?   ?   ?   A . n 
A 1 2   MET 2   45  ?   ?   ?   A . n 
A 1 3   GLY 3   46  ?   ?   ?   A . n 
A 1 4   LYS 4   47  ?   ?   ?   A . n 
A 1 5   SER 5   48  ?   ?   ?   A . n 
A 1 6   VAL 6   49  ?   ?   ?   A . n 
A 1 7   ASP 7   50  50  ASP ASP A . n 
A 1 8   MET 8   51  51  MET MET A . n 
A 1 9   TYR 9   52  52  TYR TYR A . n 
A 1 10  ILE 10  53  53  ILE ILE A . n 
A 1 11  GLU 11  54  54  GLU GLU A . n 
A 1 12  ARG 12  55  55  ARG ARG A . n 
A 1 13  ALA 13  56  56  ALA ALA A . n 
A 1 14  GLY 14  57  57  GLY GLY A . n 
A 1 15  ASP 15  58  58  ASP ASP A . n 
A 1 16  ILE 16  59  59  ILE ILE A . n 
A 1 17  THR 17  60  60  THR THR A . n 
A 1 18  TRP 18  61  61  TRP TRP A . n 
A 1 19  GLU 19  62  62  GLU GLU A . n 
A 1 20  LYS 20  63  63  LYS LYS A . n 
A 1 21  ASP 21  64  64  ASP ASP A . n 
A 1 22  ALA 22  65  65  ALA ALA A . n 
A 1 23  GLU 23  66  66  GLU GLU A . n 
A 1 24  VAL 24  67  67  VAL VAL A . n 
A 1 25  THR 25  68  68  THR THR A . n 
A 1 26  GLY 26  69  69  GLY GLY A . n 
A 1 27  ASN 27  70  70  ASN ASN A . n 
A 1 28  SER 28  71  71  SER SER A . n 
A 1 29  PRO 29  72  72  PRO PRO A . n 
A 1 30  ARG 30  73  73  ARG ARG A . n 
A 1 31  LEU 31  74  74  LEU LEU A . n 
A 1 32  ASP 32  75  75  ASP ASP A . n 
A 1 33  VAL 33  76  76  VAL VAL A . n 
A 1 34  ALA 34  77  77  ALA ALA A . n 
A 1 35  LEU 35  78  78  LEU LEU A . n 
A 1 36  ASP 36  79  79  ASP ASP A . n 
A 1 37  GLU 37  80  80  GLU GLU A . n 
A 1 38  SER 38  81  81  SER SER A . n 
A 1 39  GLY 39  82  82  GLY GLY A . n 
A 1 40  ASP 40  83  83  ASP ASP A . n 
A 1 41  PHE 41  84  84  PHE PHE A . n 
A 1 42  SER 42  85  85  SER SER A . n 
A 1 43  LEU 43  86  86  LEU LEU A . n 
A 1 44  VAL 44  87  87  VAL VAL A . n 
A 1 45  GLU 45  88  88  GLU GLU A . n 
A 1 46  GLU 46  89  ?   ?   ?   A . n 
B 2 1   MET 1   10  ?   ?   ?   B . n 
B 2 2   LYS 2   11  ?   ?   ?   B . n 
B 2 3   GLU 3   12  ?   ?   ?   B . n 
B 2 4   VAL 4   13  ?   ?   ?   B . n 
B 2 5   LYS 5   14  ?   ?   ?   B . n 
B 2 6   LYS 6   15  ?   ?   ?   B . n 
B 2 7   GLY 7   16  16  GLY GLY B . n 
B 2 8   GLU 8   17  17  GLU GLU B . n 
B 2 9   THR 9   18  18  THR THR B . n 
B 2 10  THR 10  19  19  THR THR B . n 
B 2 11  ASP 11  20  20  ASP ASP B . n 
B 2 12  GLY 12  21  21  GLY GLY B . n 
B 2 13  VAL 13  22  22  VAL VAL B . n 
B 2 14  TYR 14  23  23  TYR TYR B . n 
B 2 15  ARG 15  24  24  ARG ARG B . n 
B 2 16  VAL 16  25  25  VAL VAL B . n 
B 2 17  MET 17  26  26  MET MET B . n 
B 2 18  THR 18  27  27  THR THR B . n 
B 2 19  ARG 19  28  28  ARG ARG B . n 
B 2 20  ARG 20  29  29  ARG ARG B . n 
B 2 21  LEU 21  30  30  LEU LEU B . n 
B 2 22  LEU 22  31  31  LEU LEU B . n 
B 2 23  GLY 23  32  32  GLY GLY B . n 
B 2 24  SER 24  33  33  SER SER B . n 
B 2 25  THR 25  34  34  THR THR B . n 
B 2 26  GLN 26  35  35  GLN GLN B . n 
B 2 27  VAL 27  36  36  VAL VAL B . n 
B 2 28  GLY 28  37  37  GLY GLY B . n 
B 2 29  VAL 29  38  38  VAL VAL B . n 
B 2 30  GLY 30  39  39  GLY GLY B . n 
B 2 31  VAL 31  40  40  VAL VAL B . n 
B 2 32  MET 32  41  41  MET MET B . n 
B 2 33  GLN 33  42  42  GLN GLN B . n 
B 2 34  GLU 34  43  43  GLU GLU B . n 
B 2 35  GLY 35  44  44  GLY GLY B . n 
B 2 36  VAL 36  45  45  VAL VAL B . n 
B 2 37  PHE 37  46  46  PHE PHE B . n 
B 2 38  HIS 38  47  47  HIS HIS B . n 
B 2 39  THR 39  48  48  THR THR B . n 
B 2 40  MET 40  49  49  MET MET B . n 
B 2 41  TRP 41  50  50  TRP TRP B . n 
B 2 42  HIS 42  51  51  HIS HIS B . n 
B 2 43  VAL 43  52  52  VAL VAL B . n 
B 2 44  THR 44  53  53  THR THR B . n 
B 2 45  LYS 45  54  54  LYS LYS B . n 
B 2 46  GLY 46  55  55  GLY GLY B . n 
B 2 47  ALA 47  56  56  ALA ALA B . n 
B 2 48  ALA 48  57  57  ALA ALA B . n 
B 2 49  LEU 49  58  58  LEU LEU B . n 
B 2 50  ARG 50  59  59  ARG ARG B . n 
B 2 51  SER 51  60  60  SER SER B . n 
B 2 52  GLY 52  61  61  GLY GLY B . n 
B 2 53  GLU 53  62  62  GLU GLU B . n 
B 2 54  GLY 54  63  63  GLY GLY B . n 
B 2 55  ARG 55  64  64  ARG ARG B . n 
B 2 56  LEU 56  65  65  LEU LEU B . n 
B 2 57  ASP 57  66  66  ASP ASP B . n 
B 2 58  PRO 58  67  67  PRO PRO B . n 
B 2 59  TYR 59  68  68  TYR TYR B . n 
B 2 60  TRP 60  69  69  TRP TRP B . n 
B 2 61  GLY 61  70  70  GLY GLY B . n 
B 2 62  ASP 62  71  71  ASP ASP B . n 
B 2 63  VAL 63  72  72  VAL VAL B . n 
B 2 64  LYS 64  73  73  LYS LYS B . n 
B 2 65  GLN 65  74  74  GLN GLN B . n 
B 2 66  ASP 66  75  75  ASP ASP B . n 
B 2 67  LEU 67  76  76  LEU LEU B . n 
B 2 68  VAL 68  77  77  VAL VAL B . n 
B 2 69  SER 69  78  78  SER SER B . n 
B 2 70  TYR 70  79  79  TYR TYR B . n 
B 2 71  CYS 71  80  80  CYS CYS B . n 
B 2 72  GLY 72  81  81  GLY GLY B . n 
B 2 73  PRO 73  82  82  PRO PRO B . n 
B 2 74  TRP 74  83  83  TRP TRP B . n 
B 2 75  LYS 75  84  84  LYS LYS B . n 
B 2 76  LEU 76  85  85  LEU LEU B . n 
B 2 77  ASP 77  86  86  ASP ASP B . n 
B 2 78  ALA 78  87  87  ALA ALA B . n 
B 2 79  ALA 79  88  88  ALA ALA B . n 
B 2 80  TRP 80  89  89  TRP TRP B . n 
B 2 81  ASP 81  90  90  ASP ASP B . n 
B 2 82  GLY 82  91  91  GLY GLY B . n 
B 2 83  LEU 83  92  92  LEU LEU B . n 
B 2 84  SER 84  93  93  SER SER B . n 
B 2 85  GLU 85  94  94  GLU GLU B . n 
B 2 86  VAL 86  95  95  VAL VAL B . n 
B 2 87  GLN 87  96  96  GLN GLN B . n 
B 2 88  LEU 88  97  97  LEU LEU B . n 
B 2 89  LEU 89  98  98  LEU LEU B . n 
B 2 90  ALA 90  99  99  ALA ALA B . n 
B 2 91  VAL 91  100 100 VAL VAL B . n 
B 2 92  PRO 92  101 101 PRO PRO B . n 
B 2 93  PRO 93  102 102 PRO PRO B . n 
B 2 94  GLY 94  103 103 GLY GLY B . n 
B 2 95  GLU 95  104 104 GLU GLU B . n 
B 2 96  ARG 96  105 105 ARG ARG B . n 
B 2 97  ALA 97  106 106 ALA ALA B . n 
B 2 98  LYS 98  107 107 LYS LYS B . n 
B 2 99  ASN 99  108 108 ASN ASN B . n 
B 2 100 ILE 100 109 109 ILE ILE B . n 
B 2 101 GLN 101 110 110 GLN GLN B . n 
B 2 102 THR 102 111 111 THR THR B . n 
B 2 103 LEU 103 112 112 LEU LEU B . n 
B 2 104 PRO 104 113 113 PRO PRO B . n 
B 2 105 GLY 105 114 114 GLY GLY B . n 
B 2 106 ILE 106 115 115 ILE ILE B . n 
B 2 107 PHE 107 116 116 PHE PHE B . n 
B 2 108 LYS 108 117 117 LYS LYS B . n 
B 2 109 THR 109 118 118 THR THR B . n 
B 2 110 LYS 110 119 119 LYS LYS B . n 
B 2 111 ASP 111 120 120 ASP ASP B . n 
B 2 112 GLY 112 121 121 GLY GLY B . n 
B 2 113 ASP 113 122 122 ASP ASP B . n 
B 2 114 ILE 114 123 123 ILE ILE B . n 
B 2 115 GLY 115 124 124 GLY GLY B . n 
B 2 116 ALA 116 125 125 ALA ALA B . n 
B 2 117 VAL 117 126 126 VAL VAL B . n 
B 2 118 ALA 118 127 127 ALA ALA B . n 
B 2 119 LEU 119 128 128 LEU LEU B . n 
B 2 120 ASP 120 129 129 ASP ASP B . n 
B 2 121 TYR 121 130 130 TYR TYR B . n 
B 2 122 PRO 122 131 131 PRO PRO B . n 
B 2 123 ALA 123 132 132 ALA ALA B . n 
B 2 124 GLY 124 133 133 GLY GLY B . n 
B 2 125 THR 125 134 134 THR THR B . n 
B 2 126 SER 126 135 135 SER SER B . n 
B 2 127 GLY 127 136 136 GLY GLY B . n 
B 2 128 SER 128 137 137 SER SER B . n 
B 2 129 PRO 129 138 138 PRO PRO B . n 
B 2 130 ILE 130 139 139 ILE ILE B . n 
B 2 131 LEU 131 140 140 LEU LEU B . n 
B 2 132 ASP 132 141 141 ASP ASP B . n 
B 2 133 LYS 133 142 142 LYS LYS B . n 
B 2 134 CYS 134 143 143 CYS CYS B . n 
B 2 135 GLY 135 144 144 GLY GLY B . n 
B 2 136 ARG 136 145 145 ARG ARG B . n 
B 2 137 VAL 137 146 146 VAL VAL B . n 
B 2 138 ILE 138 147 147 ILE ILE B . n 
B 2 139 GLY 139 148 148 GLY GLY B . n 
B 2 140 LEU 140 149 149 LEU LEU B . n 
B 2 141 TYR 141 150 150 TYR TYR B . n 
B 2 142 GLY 142 151 151 GLY GLY B . n 
B 2 143 ASN 143 152 152 ASN ASN B . n 
B 2 144 GLY 144 153 153 GLY GLY B . n 
B 2 145 VAL 145 154 154 VAL VAL B . n 
B 2 146 VAL 146 155 155 VAL VAL B . n 
B 2 147 ILE 147 156 156 ILE ILE B . n 
B 2 148 LYS 148 157 157 LYS LYS B . n 
B 2 149 ASN 149 158 158 ASN ASN B . n 
B 2 150 GLY 150 159 159 GLY GLY B . n 
B 2 151 SER 151 160 160 SER SER B . n 
B 2 152 TYR 152 161 161 TYR TYR B . n 
B 2 153 VAL 153 162 162 VAL VAL B . n 
B 2 154 SER 154 163 163 SER SER B . n 
B 2 155 ALA 155 164 164 ALA ALA B . n 
B 2 156 ILE 156 165 165 ILE ILE B . n 
B 2 157 THR 157 166 166 THR THR B . n 
B 2 158 GLN 158 167 167 GLN GLN B . n 
B 2 159 GLY 159 168 168 GLY GLY B . n 
B 2 160 LYS 160 169 169 LYS LYS B . n 
B 2 161 ARG 161 170 170 ARG ARG B . n 
B 2 162 GLU 162 171 171 GLU GLU B . n 
B 2 163 GLU 163 172 ?   ?   ?   B . n 
B 2 164 GLU 164 173 ?   ?   ?   B . n 
B 2 165 THR 165 174 ?   ?   ?   B . n 
B 2 166 PRO 166 175 ?   ?   ?   B . n 
B 2 167 VAL 167 176 ?   ?   ?   B . n 
B 2 168 GLU 168 177 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1BXR 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BXR 
_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 DMS   1  201 201 DMS   DMS B . 
D 3 DMS   1  202 202 DMS   DMS B . 
E 3 DMS   1  203 203 DMS   DMS B . 
F 4 A1BXR 1  204 301 A1BXR LIG B . 
G 5 HOH   1  101 105 HOH   HOH A . 
G 5 HOH   2  102 34  HOH   HOH A . 
G 5 HOH   3  103 118 HOH   HOH A . 
G 5 HOH   4  104 65  HOH   HOH A . 
G 5 HOH   5  105 70  HOH   HOH A . 
G 5 HOH   6  106 98  HOH   HOH A . 
G 5 HOH   7  107 40  HOH   HOH A . 
G 5 HOH   8  108 49  HOH   HOH A . 
G 5 HOH   9  109 110 HOH   HOH A . 
G 5 HOH   10 110 16  HOH   HOH A . 
G 5 HOH   11 111 28  HOH   HOH A . 
G 5 HOH   12 112 36  HOH   HOH A . 
G 5 HOH   13 113 119 HOH   HOH A . 
G 5 HOH   14 114 121 HOH   HOH A . 
G 5 HOH   15 115 77  HOH   HOH A . 
G 5 HOH   16 116 120 HOH   HOH A . 
G 5 HOH   17 117 50  HOH   HOH A . 
G 5 HOH   18 118 29  HOH   HOH A . 
G 5 HOH   19 119 27  HOH   HOH A . 
H 5 HOH   1  301 51  HOH   HOH B . 
H 5 HOH   2  302 11  HOH   HOH B . 
H 5 HOH   3  303 54  HOH   HOH B . 
H 5 HOH   4  304 92  HOH   HOH B . 
H 5 HOH   5  305 5   HOH   HOH B . 
H 5 HOH   6  306 58  HOH   HOH B . 
H 5 HOH   7  307 9   HOH   HOH B . 
H 5 HOH   8  308 24  HOH   HOH B . 
H 5 HOH   9  309 31  HOH   HOH B . 
H 5 HOH   10 310 115 HOH   HOH B . 
H 5 HOH   11 311 57  HOH   HOH B . 
H 5 HOH   12 312 23  HOH   HOH B . 
H 5 HOH   13 313 63  HOH   HOH B . 
H 5 HOH   14 314 123 HOH   HOH B . 
H 5 HOH   15 315 56  HOH   HOH B . 
H 5 HOH   16 316 48  HOH   HOH B . 
H 5 HOH   17 317 124 HOH   HOH B . 
H 5 HOH   18 318 30  HOH   HOH B . 
H 5 HOH   19 319 46  HOH   HOH B . 
H 5 HOH   20 320 90  HOH   HOH B . 
H 5 HOH   21 321 32  HOH   HOH B . 
H 5 HOH   22 322 117 HOH   HOH B . 
H 5 HOH   23 323 67  HOH   HOH B . 
H 5 HOH   24 324 100 HOH   HOH B . 
H 5 HOH   25 325 14  HOH   HOH B . 
H 5 HOH   26 326 20  HOH   HOH B . 
H 5 HOH   27 327 108 HOH   HOH B . 
H 5 HOH   28 328 42  HOH   HOH B . 
H 5 HOH   29 329 39  HOH   HOH B . 
H 5 HOH   30 330 68  HOH   HOH B . 
H 5 HOH   31 331 89  HOH   HOH B . 
H 5 HOH   32 332 17  HOH   HOH B . 
H 5 HOH   33 333 2   HOH   HOH B . 
H 5 HOH   34 334 107 HOH   HOH B . 
H 5 HOH   35 335 60  HOH   HOH B . 
H 5 HOH   36 336 4   HOH   HOH B . 
H 5 HOH   37 337 81  HOH   HOH B . 
H 5 HOH   38 338 62  HOH   HOH B . 
H 5 HOH   39 339 1   HOH   HOH B . 
H 5 HOH   40 340 13  HOH   HOH B . 
H 5 HOH   41 341 85  HOH   HOH B . 
H 5 HOH   42 342 35  HOH   HOH B . 
H 5 HOH   43 343 125 HOH   HOH B . 
H 5 HOH   44 344 116 HOH   HOH B . 
H 5 HOH   45 345 127 HOH   HOH B . 
H 5 HOH   46 346 69  HOH   HOH B . 
H 5 HOH   47 347 72  HOH   HOH B . 
H 5 HOH   48 348 66  HOH   HOH B . 
H 5 HOH   49 349 73  HOH   HOH B . 
H 5 HOH   50 350 12  HOH   HOH B . 
H 5 HOH   51 351 3   HOH   HOH B . 
H 5 HOH   52 352 106 HOH   HOH B . 
H 5 HOH   53 353 10  HOH   HOH B . 
H 5 HOH   54 354 18  HOH   HOH B . 
H 5 HOH   55 355 79  HOH   HOH B . 
H 5 HOH   56 356 82  HOH   HOH B . 
H 5 HOH   57 357 102 HOH   HOH B . 
H 5 HOH   58 358 103 HOH   HOH B . 
H 5 HOH   59 359 122 HOH   HOH B . 
H 5 HOH   60 360 43  HOH   HOH B . 
H 5 HOH   61 361 21  HOH   HOH B . 
H 5 HOH   62 362 64  HOH   HOH B . 
H 5 HOH   63 363 26  HOH   HOH B . 
H 5 HOH   64 364 112 HOH   HOH B . 
H 5 HOH   65 365 80  HOH   HOH B . 
H 5 HOH   66 366 87  HOH   HOH B . 
H 5 HOH   67 367 61  HOH   HOH B . 
H 5 HOH   68 368 45  HOH   HOH B . 
H 5 HOH   69 369 126 HOH   HOH B . 
H 5 HOH   70 370 94  HOH   HOH B . 
H 5 HOH   71 371 83  HOH   HOH B . 
H 5 HOH   72 372 59  HOH   HOH B . 
H 5 HOH   73 373 109 HOH   HOH B . 
H 5 HOH   74 374 75  HOH   HOH B . 
H 5 HOH   75 375 44  HOH   HOH B . 
# 
loop_
_software.classification 
_software.name 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
_software.date 
_software.type 
_software.location 
_software.language 
refinement       REFMAC  5.8.0267 ? 1 ? ? ? ? 
refinement       BUSTER  .        ? 2 ? ? ? ? 
'data scaling'   Aimless .        ? 3 ? ? ? ? 
phasing          PHASER  .        ? 4 ? ? ? ? 
'data reduction' XDS     .        ? 5 ? ? ? ? 
# 
_cell.entry_id           7I20 
_cell.length_a           42.620 
_cell.length_b           42.620 
_cell.length_c           216.850 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        90.00 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         7I20 
_symmetry.space_group_name_H-M             'P 43 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                95 
# 
_exptl.entry_id          7I20 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.12 
_exptl_crystal.density_percent_sol   42.08 
_exptl_crystal.description           ? 
_exptl_crystal.preparation           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              4.8 
_exptl_crystal_grow.temp            298 
_exptl_crystal_grow.pdbx_details    '30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                               1 
_diffrn.ambient_temp                     100 
_diffrn.crystal_id                       1 
_diffrn.ambient_temp_details             ? 
_diffrn.pdbx_serial_crystal_experiment   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2023-10-10 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92124 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7I20 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.d_resolution_low             216.85 
_reflns.d_resolution_high            1.92 
_reflns.number_obs                   16393 
_reflns.percent_possible_obs         99.9 
_reflns.pdbx_Rmerge_I_obs            0.174 
_reflns.pdbx_netI_over_sigmaI        9.0 
_reflns.pdbx_redundancy              21.5 
_reflns.pdbx_Rrim_I_all              0.179 
_reflns.pdbx_Rpim_I_all              0.038 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_number_measured_all     351654 
_reflns.pdbx_chi_squared             0.99 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.number_all                   ? 
_reflns.pdbx_Rsym_value              ? 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_CC_star                 ? 
# 
_reflns_shell.pdbx_diffrn_id              1 
_reflns_shell.pdbx_ordinal                1 
_reflns_shell.d_res_high                  1.92 
_reflns_shell.d_res_low                   1.97 
_reflns_shell.number_measured_all         22003 
_reflns_shell.number_unique_obs           1164 
_reflns_shell.Rmerge_I_obs                8.043 
_reflns_shell.pdbx_chi_squared            0.94 
_reflns_shell.pdbx_redundancy             18.9 
_reflns_shell.percent_possible_obs        100.0 
_reflns_shell.pdbx_netI_over_sigmaI_obs   0.4 
_reflns_shell.pdbx_Rrim_I_all             8.266 
_reflns_shell.pdbx_Rpim_I_all             1.888 
_reflns_shell.pdbx_CC_half                0.363 
_reflns_shell.percent_possible_all        ? 
_reflns_shell.pdbx_Rsym_value             ? 
_reflns_shell.meanI_over_sigI_obs         ? 
_reflns_shell.number_measured_obs         ? 
_reflns_shell.number_unique_all           ? 
_reflns_shell.pdbx_CC_star                ? 
# 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.entry_id                                 7I20 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.ls_number_reflns_obs                     15371 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             42.66 
_refine.ls_d_res_high                            1.92 
_refine.ls_percent_reflns_obs                    98.96 
_refine.ls_R_factor_obs                          0.23138 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       0.22858 
_refine.ls_R_factor_R_free                       0.28398 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 4.8 
_refine.ls_number_reflns_R_free                  782 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.correlation_coeff_Fo_to_Fc               0.968 
_refine.correlation_coeff_Fo_to_Fc_free          0.948 
_refine.B_iso_mean                               61.834 
_refine.aniso_B[1][1]                            3.12 
_refine.aniso_B[2][2]                            3.12 
_refine.aniso_B[3][3]                            -6.24 
_refine.aniso_B[1][2]                            -0.00 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][3]                            -0.00 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_overall_ESU_R                       0.215 
_refine.pdbx_overall_ESU_R_Free                  0.192 
_refine.overall_SU_ML                            0.272 
_refine.pdbx_overall_phase_error                 ? 
_refine.overall_SU_B                             11.047 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.pdbx_number_atoms_protein        1476 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         34 
_refine_hist.number_atoms_solvent             94 
_refine_hist.number_atoms_total               1604 
_refine_hist.d_res_high                       1.92 
_refine_hist.d_res_low                        42.66 
# 
loop_
_refine_ls_restr.type 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.number 
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.pdbx_restraint_function 
r_bond_refined_d             0.006  0.013  ? 1926 'X-RAY DIFFRACTION' ? 
r_bond_other_d               0.001  0.015  ? 1633 'X-RAY DIFFRACTION' ? 
r_angle_refined_deg          1.409  1.642  ? 2391 'X-RAY DIFFRACTION' ? 
r_angle_other_deg            1.169  1.589  ? 3771 'X-RAY DIFFRACTION' ? 
r_dihedral_angle_1_deg       7.367  5.000  ? 229  'X-RAY DIFFRACTION' ? 
r_dihedral_angle_2_deg       31.772 21.899 ? 79   'X-RAY DIFFRACTION' ? 
r_dihedral_angle_3_deg       14.910 15.000 ? 274  'X-RAY DIFFRACTION' ? 
r_dihedral_angle_4_deg       16.181 15.000 ? 10   'X-RAY DIFFRACTION' ? 
r_chiral_restr               0.051  0.200  ? 215  'X-RAY DIFFRACTION' ? 
r_gen_planes_refined         0.006  0.020  ? 2040 'X-RAY DIFFRACTION' ? 
r_gen_planes_other           0.001  0.020  ? 394  'X-RAY DIFFRACTION' ? 
r_nbd_refined                ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_nbd_other                  ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_nbtor_refined              ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_nbtor_other                ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_xyhbond_nbd_refined        ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_xyhbond_nbd_other          ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_metal_ion_refined          ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_metal_ion_other            ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_vdw_refined       ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_vdw_other         ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_hbond_refined     ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_hbond_other       ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_metal_ion_refined ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_metal_ion_other   ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_mcbond_it                  4.128  6.280  ? 973  'X-RAY DIFFRACTION' ? 
r_mcbond_other               4.254  6.186  ? 915  'X-RAY DIFFRACTION' ? 
r_mcangle_it                 6.180  9.241  ? 1113 'X-RAY DIFFRACTION' ? 
r_mcangle_other              6.178  9.248  ? 1114 'X-RAY DIFFRACTION' ? 
r_scbond_it                  4.498  6.666  ? 953  'X-RAY DIFFRACTION' ? 
r_scbond_other               4.505  6.671  ? 950  'X-RAY DIFFRACTION' ? 
r_scangle_it                 ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_scangle_other              7.115  9.697  ? 1279 'X-RAY DIFFRACTION' ? 
r_long_range_B_refined       11.794 69.914 ? 2022 'X-RAY DIFFRACTION' ? 
r_long_range_B_other         11.702 69.637 ? 1998 'X-RAY DIFFRACTION' ? 
r_rigid_bond_restr           ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_sphericity_free            ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_sphericity_bonded          ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.d_res_high                       1.920 
_refine_ls_shell.d_res_low                        1.970 
_refine_ls_shell.number_reflns_R_work             967 
_refine_ls_shell.R_factor_R_work                  0.529 
_refine_ls_shell.percent_reflns_obs               88.83 
_refine_ls_shell.R_factor_R_free                  0.599 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             59 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_obs                     ? 
_refine_ls_shell.number_reflns_obs                ? 
# 
_struct.entry_id                  7I20 
_struct.title                     
'PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with NegAcid3-Am02' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7I20 
_struct_keywords.pdbx_keywords   'VIRAL PROTEIN' 
_struct_keywords.text            'SGC - Diamond I04-1, PanDDA, XChemExplorer, VIRAL PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 3 ? 
E N N 3 ? 
F N N 4 ? 
G N N 5 ? 
H N N 5 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP POLG_ZIKV Q32ZE1 ? 1 GKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE 1414 
2 UNP POLG_ZIKV Q32ZE1 ? 2 
;KEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWD
GLSEVQLLAVPPGERARNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKR
EEETPVE
;
1509 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 7I20 A 3 ? 46  ? Q32ZE1 1414 ? 1457 ? 46 89  
2 2 7I20 B 2 ? 168 ? Q32ZE1 1509 ? 1675 ? 11 177 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 7I20 SER A 1  ? UNP Q32ZE1 ?   ?    'expression tag'        44  1 
1 7I20 MET A 2  ? UNP Q32ZE1 ?   ?    'expression tag'        45  2 
2 7I20 MET B 1  ? UNP Q32ZE1 ?   ?    'initiating methionine' 10  3 
2 7I20 LYS B 98 ? UNP Q32ZE1 ARG 1605 conflict                107 4 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H 
# 
_pdbx_struct_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 MET B 40  ? LYS B 45  ? MET B 49  LYS B 54  1 ? 6 
HELX_P HELX_P2 AA2 PRO B 122 ? SER B 126 ? PRO B 131 SER B 135 5 ? 5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_conn.id                            disulf1 
_struct_conn.conn_type_id                  disulf 
_struct_conn.pdbx_leaving_atom_flag        ? 
_struct_conn.pdbx_PDB_id                   ? 
_struct_conn.ptnr1_label_asym_id           B 
_struct_conn.ptnr1_label_comp_id           CYS 
_struct_conn.ptnr1_label_seq_id            134 
_struct_conn.ptnr1_label_atom_id           SG 
_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                1_555 
_struct_conn.ptnr2_label_asym_id           B 
_struct_conn.ptnr2_label_comp_id           CYS 
_struct_conn.ptnr2_label_seq_id            134 
_struct_conn.ptnr2_label_atom_id           SG 
_struct_conn.pdbx_ptnr2_label_alt_id       ? 
_struct_conn.pdbx_ptnr2_PDB_ins_code       ? 
_struct_conn.ptnr1_auth_asym_id            B 
_struct_conn.ptnr1_auth_comp_id            CYS 
_struct_conn.ptnr1_auth_seq_id             143 
_struct_conn.ptnr2_auth_asym_id            B 
_struct_conn.ptnr2_auth_comp_id            CYS 
_struct_conn.ptnr2_auth_seq_id             143 
_struct_conn.ptnr2_symmetry                8_444 
_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               2.312 
_struct_conn.pdbx_value_order              ? 
_struct_conn.pdbx_role                     ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      CYS 
_pdbx_modification_feature.label_asym_id                      B 
_pdbx_modification_feature.label_seq_id                       134 
_pdbx_modification_feature.label_alt_id                       ? 
_pdbx_modification_feature.modified_residue_label_comp_id     CYS 
_pdbx_modification_feature.modified_residue_label_asym_id     B 
_pdbx_modification_feature.modified_residue_label_seq_id      134 
_pdbx_modification_feature.modified_residue_label_alt_id      ? 
_pdbx_modification_feature.auth_comp_id                       CYS 
_pdbx_modification_feature.auth_asym_id                       B 
_pdbx_modification_feature.auth_seq_id                        143 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      CYS 
_pdbx_modification_feature.modified_residue_auth_asym_id      B 
_pdbx_modification_feature.modified_residue_auth_seq_id       143 
_pdbx_modification_feature.modified_residue_PDB_ins_code      ? 
_pdbx_modification_feature.modified_residue_symmetry          8_444 
_pdbx_modification_feature.comp_id_linking_atom               SG 
_pdbx_modification_feature.modified_residue_id_linking_atom   SG 
_pdbx_modification_feature.modified_residue_id                . 
_pdbx_modification_feature.ref_pcm_id                         . 
_pdbx_modification_feature.ref_comp_id                        . 
_pdbx_modification_feature.type                               None 
_pdbx_modification_feature.category                           'Disulfide bridge' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 8 ? 
AA2 ? 5 ? 
AA3 ? 6 ? 
# 
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 ? parallel      
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA1 7 8 ? anti-parallel 
AA2 1 2 ? parallel      
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? parallel      
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
AA3 5 6 ? 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 GLY B 54  ? LEU B 56  ? GLY B 63  LEU B 65  
AA1 2 LEU B 49  ? SER B 51  ? LEU B 58  SER B 60  
AA1 3 MET A 8   ? GLY A 14  ? MET A 51  GLY A 57  
AA1 4 GLY B 12  ? THR B 18  ? GLY B 21  THR B 27  
AA1 5 THR B 25  ? GLN B 33  ? THR B 34  GLN B 42  
AA1 6 VAL B 36  ? THR B 39  ? VAL B 45  THR B 48  
AA1 7 LEU B 67  ? TYR B 70  ? LEU B 76  TYR B 79  
AA1 8 PRO B 58  ? ASP B 62  ? PRO B 67  ASP B 71  
AA2 1 GLU A 23  ? VAL A 24  ? GLU A 66  VAL A 67  
AA2 2 LYS B 98  ? THR B 102 ? LYS B 107 THR B 111 
AA2 3 VAL B 86  ? ALA B 90  ? VAL B 95  ALA B 99  
AA2 4 PRO B 129 ? LEU B 131 ? PRO B 138 LEU B 140 
AA2 5 VAL B 137 ? LEU B 140 ? VAL B 146 LEU B 149 
AA3 1 PHE A 41  ? LEU A 43  ? PHE A 84  LEU A 86  
AA3 2 ARG A 30  ? LEU A 35  ? ARG A 73  LEU A 78  
AA3 3 GLY B 105 ? THR B 109 ? GLY B 114 THR B 118 
AA3 4 GLY B 112 ? VAL B 117 ? GLY B 121 VAL B 126 
AA3 5 TYR B 152 ? ALA B 155 ? TYR B 161 ALA B 164 
AA3 6 GLY B 144 ? VAL B 146 ? GLY B 153 VAL B 155 
# 
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 O LEU B 56  ? O LEU B 65  N LEU B 49  ? N LEU B 58  
AA1 2 3 O ARG B 50  ? O ARG B 59  N ILE A 10  ? N ILE A 53  
AA1 3 4 N TYR A 9   ? N TYR A 52  O MET B 17  ? O MET B 26  
AA1 4 5 N VAL B 16  ? N VAL B 25  O GLY B 28  ? O GLY B 37  
AA1 5 6 N VAL B 31  ? N VAL B 40  O HIS B 38  ? O HIS B 47  
AA1 6 7 N THR B 39  ? N THR B 48  O VAL B 68  ? O VAL B 77  
AA1 7 8 O SER B 69  ? O SER B 78  N TRP B 60  ? N TRP B 69  
AA2 1 2 N GLU A 23  ? N GLU A 66  O GLN B 101 ? O GLN B 110 
AA2 2 3 O THR B 102 ? O THR B 111 N VAL B 86  ? N VAL B 95  
AA2 3 4 N GLN B 87  ? N GLN B 96  O LEU B 131 ? O LEU B 140 
AA2 4 5 N ILE B 130 ? N ILE B 139 O GLY B 139 ? O GLY B 148 
AA3 1 2 O SER A 42  ? O SER A 85  N ALA A 34  ? N ALA A 77  
AA3 2 3 N LEU A 31  ? N LEU A 74  O LYS B 108 ? O LYS B 117 
AA3 3 4 N PHE B 107 ? N PHE B 116 O ILE B 114 ? O ILE B 123 
AA3 4 5 N VAL B 117 ? N VAL B 126 O SER B 154 ? O SER B 163 
AA3 5 6 O VAL B 153 ? O VAL B 162 N VAL B 145 ? N VAL B 154 
# 
_pdbx_entry_details.entry_id                   7I20 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 OE1 B GLU 17 ? ? O  B HOH 301 ? ? 2.09 
2 1 OD1 B ASP 20 ? ? O  B HOH 302 ? ? 2.14 
3 1 OD2 B ASP 90 ? ? OG B SER 93  ? ? 2.19 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 CYS B 80 ? ? 84.61   -9.80  
2 1 LEU B 92 ? ? -123.53 -57.77 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 B HOH 329 ? H HOH . 
2 1 B HOH 368 ? H HOH . 
3 1 B HOH 375 ? H HOH . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A SER 44  ? A SER 1   
2  1 Y 1 A MET 45  ? A MET 2   
3  1 Y 1 A GLY 46  ? A GLY 3   
4  1 Y 1 A LYS 47  ? A LYS 4   
5  1 Y 1 A SER 48  ? A SER 5   
6  1 Y 1 A VAL 49  ? A VAL 6   
7  1 Y 1 A GLU 89  ? A GLU 46  
8  1 Y 1 B MET 10  ? B MET 1   
9  1 Y 1 B LYS 11  ? B LYS 2   
10 1 Y 1 B GLU 12  ? B GLU 3   
11 1 Y 1 B VAL 13  ? B VAL 4   
12 1 Y 1 B LYS 14  ? B LYS 5   
13 1 Y 1 B LYS 15  ? B LYS 6   
14 1 Y 1 B GLU 172 ? B GLU 163 
15 1 Y 1 B GLU 173 ? B GLU 164 
16 1 Y 1 B THR 174 ? B THR 165 
17 1 Y 1 B PRO 175 ? B PRO 166 
18 1 Y 1 B VAL 176 ? B VAL 167 
19 1 Y 1 B GLU 177 ? B GLU 168 
# 
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 
A1BXR N1   N N N 1   
A1BXR N3   N Y N 2   
A1BXR C4   C Y N 3   
A1BXR C5   C N N 4   
A1BXR C6   C Y N 5   
A1BXR C7   C Y N 6   
A1BXR C8   C Y N 7   
A1BXR C10  C Y N 8   
A1BXR C13  C N N 9   
A1BXR C15  C N R 10  
A1BXR C17  C Y N 11  
A1BXR C1   C N N 12  
A1BXR C2   C Y N 13  
A1BXR C3   C Y N 14  
A1BXR O1   O N N 15  
A1BXR C9   C Y N 16  
A1BXR C11  C N N 17  
A1BXR C12  C N N 18  
A1BXR O2   O N N 19  
A1BXR C14  C N N 20  
A1BXR N2   N N N 21  
A1BXR C16  C N N 22  
A1BXR H6   H N N 23  
A1BXR H5   H N N 24  
A1BXR H8   H N N 25  
A1BXR H9   H N N 26  
A1BXR H14  H N N 27  
A1BXR H13  H N N 28  
A1BXR H17  H N N 29  
A1BXR H3   H N N 30  
A1BXR H1   H N N 31  
A1BXR H2   H N N 32  
A1BXR H4   H N N 33  
A1BXR H7   H N N 34  
A1BXR H10  H N N 35  
A1BXR H12  H N N 36  
A1BXR H11  H N N 37  
A1BXR H16  H N N 38  
A1BXR H15  H N N 39  
A1BXR H22  H N N 40  
A1BXR H19  H N N 41  
A1BXR H21  H N N 42  
A1BXR H20  H N N 43  
ALA   N    N N N 44  
ALA   CA   C N S 45  
ALA   C    C N N 46  
ALA   O    O N N 47  
ALA   CB   C N N 48  
ALA   OXT  O N N 49  
ALA   H    H N N 50  
ALA   H2   H N N 51  
ALA   HA   H N N 52  
ALA   HB1  H N N 53  
ALA   HB2  H N N 54  
ALA   HB3  H N N 55  
ALA   HXT  H N N 56  
ARG   N    N N N 57  
ARG   CA   C N S 58  
ARG   C    C N N 59  
ARG   O    O N N 60  
ARG   CB   C N N 61  
ARG   CG   C N N 62  
ARG   CD   C N N 63  
ARG   NE   N N N 64  
ARG   CZ   C N N 65  
ARG   NH1  N N N 66  
ARG   NH2  N N N 67  
ARG   OXT  O N N 68  
ARG   H    H N N 69  
ARG   H2   H N N 70  
ARG   HA   H N N 71  
ARG   HB2  H N N 72  
ARG   HB3  H N N 73  
ARG   HG2  H N N 74  
ARG   HG3  H N N 75  
ARG   HD2  H N N 76  
ARG   HD3  H N N 77  
ARG   HE   H N N 78  
ARG   HH11 H N N 79  
ARG   HH12 H N N 80  
ARG   HH21 H N N 81  
ARG   HH22 H N N 82  
ARG   HXT  H N N 83  
ASN   N    N N N 84  
ASN   CA   C N S 85  
ASN   C    C N N 86  
ASN   O    O N N 87  
ASN   CB   C N N 88  
ASN   CG   C N N 89  
ASN   OD1  O N N 90  
ASN   ND2  N N N 91  
ASN   OXT  O N N 92  
ASN   H    H N N 93  
ASN   H2   H N N 94  
ASN   HA   H N N 95  
ASN   HB2  H N N 96  
ASN   HB3  H N N 97  
ASN   HD21 H N N 98  
ASN   HD22 H N N 99  
ASN   HXT  H N N 100 
ASP   N    N N N 101 
ASP   CA   C N S 102 
ASP   C    C N N 103 
ASP   O    O N N 104 
ASP   CB   C N N 105 
ASP   CG   C N N 106 
ASP   OD1  O N N 107 
ASP   OD2  O N N 108 
ASP   OXT  O N N 109 
ASP   H    H N N 110 
ASP   H2   H N N 111 
ASP   HA   H N N 112 
ASP   HB2  H N N 113 
ASP   HB3  H N N 114 
ASP   HD2  H N N 115 
ASP   HXT  H N N 116 
CYS   N    N N N 117 
CYS   CA   C N R 118 
CYS   C    C N N 119 
CYS   O    O N N 120 
CYS   CB   C N N 121 
CYS   SG   S N N 122 
CYS   OXT  O N N 123 
CYS   H    H N N 124 
CYS   H2   H N N 125 
CYS   HA   H N N 126 
CYS   HB2  H N N 127 
CYS   HB3  H N N 128 
CYS   HG   H N N 129 
CYS   HXT  H N N 130 
DMS   S    S N N 131 
DMS   O    O N N 132 
DMS   C1   C N N 133 
DMS   C2   C N N 134 
DMS   H11  H N N 135 
DMS   H12  H N N 136 
DMS   H13  H N N 137 
DMS   H21  H N N 138 
DMS   H22  H N N 139 
DMS   H23  H N N 140 
GLN   N    N N N 141 
GLN   CA   C N S 142 
GLN   C    C N N 143 
GLN   O    O N N 144 
GLN   CB   C N N 145 
GLN   CG   C N N 146 
GLN   CD   C N N 147 
GLN   OE1  O N N 148 
GLN   NE2  N N N 149 
GLN   OXT  O N N 150 
GLN   H    H N N 151 
GLN   H2   H N N 152 
GLN   HA   H N N 153 
GLN   HB2  H N N 154 
GLN   HB3  H N N 155 
GLN   HG2  H N N 156 
GLN   HG3  H N N 157 
GLN   HE21 H N N 158 
GLN   HE22 H N N 159 
GLN   HXT  H N N 160 
GLU   N    N N N 161 
GLU   CA   C N S 162 
GLU   C    C N N 163 
GLU   O    O N N 164 
GLU   CB   C N N 165 
GLU   CG   C N N 166 
GLU   CD   C N N 167 
GLU   OE1  O N N 168 
GLU   OE2  O N N 169 
GLU   OXT  O N N 170 
GLU   H    H N N 171 
GLU   H2   H N N 172 
GLU   HA   H N N 173 
GLU   HB2  H N N 174 
GLU   HB3  H N N 175 
GLU   HG2  H N N 176 
GLU   HG3  H N N 177 
GLU   HE2  H N N 178 
GLU   HXT  H N N 179 
GLY   N    N N N 180 
GLY   CA   C N N 181 
GLY   C    C N N 182 
GLY   O    O N N 183 
GLY   OXT  O N N 184 
GLY   H    H N N 185 
GLY   H2   H N N 186 
GLY   HA2  H N N 187 
GLY   HA3  H N N 188 
GLY   HXT  H N N 189 
HIS   N    N N N 190 
HIS   CA   C N S 191 
HIS   C    C N N 192 
HIS   O    O N N 193 
HIS   CB   C N N 194 
HIS   CG   C Y N 195 
HIS   ND1  N Y N 196 
HIS   CD2  C Y N 197 
HIS   CE1  C Y N 198 
HIS   NE2  N Y N 199 
HIS   OXT  O N N 200 
HIS   H    H N N 201 
HIS   H2   H N N 202 
HIS   HA   H N N 203 
HIS   HB2  H N N 204 
HIS   HB3  H N N 205 
HIS   HD1  H N N 206 
HIS   HD2  H N N 207 
HIS   HE1  H N N 208 
HIS   HE2  H N N 209 
HIS   HXT  H N N 210 
HOH   O    O N N 211 
HOH   H1   H N N 212 
HOH   H2   H N N 213 
ILE   N    N N N 214 
ILE   CA   C N S 215 
ILE   C    C N N 216 
ILE   O    O N N 217 
ILE   CB   C N S 218 
ILE   CG1  C N N 219 
ILE   CG2  C N N 220 
ILE   CD1  C N N 221 
ILE   OXT  O N N 222 
ILE   H    H N N 223 
ILE   H2   H N N 224 
ILE   HA   H N N 225 
ILE   HB   H N N 226 
ILE   HG12 H N N 227 
ILE   HG13 H N N 228 
ILE   HG21 H N N 229 
ILE   HG22 H N N 230 
ILE   HG23 H N N 231 
ILE   HD11 H N N 232 
ILE   HD12 H N N 233 
ILE   HD13 H N N 234 
ILE   HXT  H N N 235 
LEU   N    N N N 236 
LEU   CA   C N S 237 
LEU   C    C N N 238 
LEU   O    O N N 239 
LEU   CB   C N N 240 
LEU   CG   C N N 241 
LEU   CD1  C N N 242 
LEU   CD2  C N N 243 
LEU   OXT  O N N 244 
LEU   H    H N N 245 
LEU   H2   H N N 246 
LEU   HA   H N N 247 
LEU   HB2  H N N 248 
LEU   HB3  H N N 249 
LEU   HG   H N N 250 
LEU   HD11 H N N 251 
LEU   HD12 H N N 252 
LEU   HD13 H N N 253 
LEU   HD21 H N N 254 
LEU   HD22 H N N 255 
LEU   HD23 H N N 256 
LEU   HXT  H N N 257 
LYS   N    N N N 258 
LYS   CA   C N S 259 
LYS   C    C N N 260 
LYS   O    O N N 261 
LYS   CB   C N N 262 
LYS   CG   C N N 263 
LYS   CD   C N N 264 
LYS   CE   C N N 265 
LYS   NZ   N N N 266 
LYS   OXT  O N N 267 
LYS   H    H N N 268 
LYS   H2   H N N 269 
LYS   HA   H N N 270 
LYS   HB2  H N N 271 
LYS   HB3  H N N 272 
LYS   HG2  H N N 273 
LYS   HG3  H N N 274 
LYS   HD2  H N N 275 
LYS   HD3  H N N 276 
LYS   HE2  H N N 277 
LYS   HE3  H N N 278 
LYS   HZ1  H N N 279 
LYS   HZ2  H N N 280 
LYS   HZ3  H N N 281 
LYS   HXT  H N N 282 
MET   N    N N N 283 
MET   CA   C N S 284 
MET   C    C N N 285 
MET   O    O N N 286 
MET   CB   C N N 287 
MET   CG   C N N 288 
MET   SD   S N N 289 
MET   CE   C N N 290 
MET   OXT  O N N 291 
MET   H    H N N 292 
MET   H2   H N N 293 
MET   HA   H N N 294 
MET   HB2  H N N 295 
MET   HB3  H N N 296 
MET   HG2  H N N 297 
MET   HG3  H N N 298 
MET   HE1  H N N 299 
MET   HE2  H N N 300 
MET   HE3  H N N 301 
MET   HXT  H N N 302 
PHE   N    N N N 303 
PHE   CA   C N S 304 
PHE   C    C N N 305 
PHE   O    O N N 306 
PHE   CB   C N N 307 
PHE   CG   C Y N 308 
PHE   CD1  C Y N 309 
PHE   CD2  C Y N 310 
PHE   CE1  C Y N 311 
PHE   CE2  C Y N 312 
PHE   CZ   C Y N 313 
PHE   OXT  O N N 314 
PHE   H    H N N 315 
PHE   H2   H N N 316 
PHE   HA   H N N 317 
PHE   HB2  H N N 318 
PHE   HB3  H N N 319 
PHE   HD1  H N N 320 
PHE   HD2  H N N 321 
PHE   HE1  H N N 322 
PHE   HE2  H N N 323 
PHE   HZ   H N N 324 
PHE   HXT  H N N 325 
PRO   N    N N N 326 
PRO   CA   C N S 327 
PRO   C    C N N 328 
PRO   O    O N N 329 
PRO   CB   C N N 330 
PRO   CG   C N N 331 
PRO   CD   C N N 332 
PRO   OXT  O N N 333 
PRO   H    H N N 334 
PRO   HA   H N N 335 
PRO   HB2  H N N 336 
PRO   HB3  H N N 337 
PRO   HG2  H N N 338 
PRO   HG3  H N N 339 
PRO   HD2  H N N 340 
PRO   HD3  H N N 341 
PRO   HXT  H N N 342 
SER   N    N N N 343 
SER   CA   C N S 344 
SER   C    C N N 345 
SER   O    O N N 346 
SER   CB   C N N 347 
SER   OG   O N N 348 
SER   OXT  O N N 349 
SER   H    H N N 350 
SER   H2   H N N 351 
SER   HA   H N N 352 
SER   HB2  H N N 353 
SER   HB3  H N N 354 
SER   HG   H N N 355 
SER   HXT  H N N 356 
THR   N    N N N 357 
THR   CA   C N S 358 
THR   C    C N N 359 
THR   O    O N N 360 
THR   CB   C N R 361 
THR   OG1  O N N 362 
THR   CG2  C N N 363 
THR   OXT  O N N 364 
THR   H    H N N 365 
THR   H2   H N N 366 
THR   HA   H N N 367 
THR   HB   H N N 368 
THR   HG1  H N N 369 
THR   HG21 H N N 370 
THR   HG22 H N N 371 
THR   HG23 H N N 372 
THR   HXT  H N N 373 
TRP   N    N N N 374 
TRP   CA   C N S 375 
TRP   C    C N N 376 
TRP   O    O N N 377 
TRP   CB   C N N 378 
TRP   CG   C Y N 379 
TRP   CD1  C Y N 380 
TRP   CD2  C Y N 381 
TRP   NE1  N Y N 382 
TRP   CE2  C Y N 383 
TRP   CE3  C Y N 384 
TRP   CZ2  C Y N 385 
TRP   CZ3  C Y N 386 
TRP   CH2  C Y N 387 
TRP   OXT  O N N 388 
TRP   H    H N N 389 
TRP   H2   H N N 390 
TRP   HA   H N N 391 
TRP   HB2  H N N 392 
TRP   HB3  H N N 393 
TRP   HD1  H N N 394 
TRP   HE1  H N N 395 
TRP   HE3  H N N 396 
TRP   HZ2  H N N 397 
TRP   HZ3  H N N 398 
TRP   HH2  H N N 399 
TRP   HXT  H N N 400 
TYR   N    N N N 401 
TYR   CA   C N S 402 
TYR   C    C N N 403 
TYR   O    O N N 404 
TYR   CB   C N N 405 
TYR   CG   C Y N 406 
TYR   CD1  C Y N 407 
TYR   CD2  C Y N 408 
TYR   CE1  C Y N 409 
TYR   CE2  C Y N 410 
TYR   CZ   C Y N 411 
TYR   OH   O N N 412 
TYR   OXT  O N N 413 
TYR   H    H N N 414 
TYR   H2   H N N 415 
TYR   HA   H N N 416 
TYR   HB2  H N N 417 
TYR   HB3  H N N 418 
TYR   HD1  H N N 419 
TYR   HD2  H N N 420 
TYR   HE1  H N N 421 
TYR   HE2  H N N 422 
TYR   HH   H N N 423 
TYR   HXT  H N N 424 
VAL   N    N N N 425 
VAL   CA   C N S 426 
VAL   C    C N N 427 
VAL   O    O N N 428 
VAL   CB   C N N 429 
VAL   CG1  C N N 430 
VAL   CG2  C N N 431 
VAL   OXT  O N N 432 
VAL   H    H N N 433 
VAL   H2   H N N 434 
VAL   HA   H N N 435 
VAL   HB   H N N 436 
VAL   HG11 H N N 437 
VAL   HG12 H N N 438 
VAL   HG13 H N N 439 
VAL   HG21 H N N 440 
VAL   HG22 H N N 441 
VAL   HG23 H N N 442 
VAL   HXT  H N N 443 
# 
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 
A1BXR C1  C2   sing N N 1   
A1BXR C2  C3   doub Y N 2   
A1BXR C3  C4   sing Y N 3   
A1BXR C4  C5   sing N N 4   
A1BXR C5  O1   sing N N 5   
A1BXR C4  C6   doub Y N 6   
A1BXR C6  C7   sing Y N 7   
A1BXR C7  C8   doub Y N 8   
A1BXR C8  C9   sing Y N 9   
A1BXR C9  C10  doub Y N 10  
A1BXR C10 C11  sing N N 11  
A1BXR C11 C12  sing N N 12  
A1BXR C12 O2   doub N N 13  
A1BXR C12 N1   sing N N 14  
A1BXR N1  C13  sing N N 15  
A1BXR C13 C14  sing N N 16  
A1BXR C14 C15  sing N N 17  
A1BXR C15 N2   sing N N 18  
A1BXR C15 C16  sing N N 19  
A1BXR C10 C17  sing Y N 20  
A1BXR C17 N3   doub Y N 21  
A1BXR C2  N3   sing Y N 22  
A1BXR C6  C17  sing Y N 23  
A1BXR N1  C16  sing N N 24  
A1BXR C5  H6   sing N N 25  
A1BXR C5  H5   sing N N 26  
A1BXR C7  H8   sing N N 27  
A1BXR C8  H9   sing N N 28  
A1BXR C13 H14  sing N N 29  
A1BXR C13 H13  sing N N 30  
A1BXR C15 H17  sing N N 31  
A1BXR C1  H3   sing N N 32  
A1BXR C1  H1   sing N N 33  
A1BXR C1  H2   sing N N 34  
A1BXR C3  H4   sing N N 35  
A1BXR O1  H7   sing N N 36  
A1BXR C9  H10  sing N N 37  
A1BXR C11 H12  sing N N 38  
A1BXR C11 H11  sing N N 39  
A1BXR C14 H16  sing N N 40  
A1BXR C14 H15  sing N N 41  
A1BXR N2  H22  sing N N 42  
A1BXR N2  H19  sing N N 43  
A1BXR C16 H21  sing N N 44  
A1BXR C16 H20  sing N N 45  
ALA   N   CA   sing N N 46  
ALA   N   H    sing N N 47  
ALA   N   H2   sing N N 48  
ALA   CA  C    sing N N 49  
ALA   CA  CB   sing N N 50  
ALA   CA  HA   sing N N 51  
ALA   C   O    doub N N 52  
ALA   C   OXT  sing N N 53  
ALA   CB  HB1  sing N N 54  
ALA   CB  HB2  sing N N 55  
ALA   CB  HB3  sing N N 56  
ALA   OXT HXT  sing N N 57  
ARG   N   CA   sing N N 58  
ARG   N   H    sing N N 59  
ARG   N   H2   sing N N 60  
ARG   CA  C    sing N N 61  
ARG   CA  CB   sing N N 62  
ARG   CA  HA   sing N N 63  
ARG   C   O    doub N N 64  
ARG   C   OXT  sing N N 65  
ARG   CB  CG   sing N N 66  
ARG   CB  HB2  sing N N 67  
ARG   CB  HB3  sing N N 68  
ARG   CG  CD   sing N N 69  
ARG   CG  HG2  sing N N 70  
ARG   CG  HG3  sing N N 71  
ARG   CD  NE   sing N N 72  
ARG   CD  HD2  sing N N 73  
ARG   CD  HD3  sing N N 74  
ARG   NE  CZ   sing N N 75  
ARG   NE  HE   sing N N 76  
ARG   CZ  NH1  sing N N 77  
ARG   CZ  NH2  doub N N 78  
ARG   NH1 HH11 sing N N 79  
ARG   NH1 HH12 sing N N 80  
ARG   NH2 HH21 sing N N 81  
ARG   NH2 HH22 sing N N 82  
ARG   OXT HXT  sing N N 83  
ASN   N   CA   sing N N 84  
ASN   N   H    sing N N 85  
ASN   N   H2   sing N N 86  
ASN   CA  C    sing N N 87  
ASN   CA  CB   sing N N 88  
ASN   CA  HA   sing N N 89  
ASN   C   O    doub N N 90  
ASN   C   OXT  sing N N 91  
ASN   CB  CG   sing N N 92  
ASN   CB  HB2  sing N N 93  
ASN   CB  HB3  sing N N 94  
ASN   CG  OD1  doub N N 95  
ASN   CG  ND2  sing N N 96  
ASN   ND2 HD21 sing N N 97  
ASN   ND2 HD22 sing N N 98  
ASN   OXT HXT  sing N N 99  
ASP   N   CA   sing N N 100 
ASP   N   H    sing N N 101 
ASP   N   H2   sing N N 102 
ASP   CA  C    sing N N 103 
ASP   CA  CB   sing N N 104 
ASP   CA  HA   sing N N 105 
ASP   C   O    doub N N 106 
ASP   C   OXT  sing N N 107 
ASP   CB  CG   sing N N 108 
ASP   CB  HB2  sing N N 109 
ASP   CB  HB3  sing N N 110 
ASP   CG  OD1  doub N N 111 
ASP   CG  OD2  sing N N 112 
ASP   OD2 HD2  sing N N 113 
ASP   OXT HXT  sing N N 114 
CYS   N   CA   sing N N 115 
CYS   N   H    sing N N 116 
CYS   N   H2   sing N N 117 
CYS   CA  C    sing N N 118 
CYS   CA  CB   sing N N 119 
CYS   CA  HA   sing N N 120 
CYS   C   O    doub N N 121 
CYS   C   OXT  sing N N 122 
CYS   CB  SG   sing N N 123 
CYS   CB  HB2  sing N N 124 
CYS   CB  HB3  sing N N 125 
CYS   SG  HG   sing N N 126 
CYS   OXT HXT  sing N N 127 
DMS   S   O    doub N N 128 
DMS   S   C1   sing N N 129 
DMS   S   C2   sing N N 130 
DMS   C1  H11  sing N N 131 
DMS   C1  H12  sing N N 132 
DMS   C1  H13  sing N N 133 
DMS   C2  H21  sing N N 134 
DMS   C2  H22  sing N N 135 
DMS   C2  H23  sing N N 136 
GLN   N   CA   sing N N 137 
GLN   N   H    sing N N 138 
GLN   N   H2   sing N N 139 
GLN   CA  C    sing N N 140 
GLN   CA  CB   sing N N 141 
GLN   CA  HA   sing N N 142 
GLN   C   O    doub N N 143 
GLN   C   OXT  sing N N 144 
GLN   CB  CG   sing N N 145 
GLN   CB  HB2  sing N N 146 
GLN   CB  HB3  sing N N 147 
GLN   CG  CD   sing N N 148 
GLN   CG  HG2  sing N N 149 
GLN   CG  HG3  sing N N 150 
GLN   CD  OE1  doub N N 151 
GLN   CD  NE2  sing N N 152 
GLN   NE2 HE21 sing N N 153 
GLN   NE2 HE22 sing N N 154 
GLN   OXT HXT  sing N N 155 
GLU   N   CA   sing N N 156 
GLU   N   H    sing N N 157 
GLU   N   H2   sing N N 158 
GLU   CA  C    sing N N 159 
GLU   CA  CB   sing N N 160 
GLU   CA  HA   sing N N 161 
GLU   C   O    doub N N 162 
GLU   C   OXT  sing N N 163 
GLU   CB  CG   sing N N 164 
GLU   CB  HB2  sing N N 165 
GLU   CB  HB3  sing N N 166 
GLU   CG  CD   sing N N 167 
GLU   CG  HG2  sing N N 168 
GLU   CG  HG3  sing N N 169 
GLU   CD  OE1  doub N N 170 
GLU   CD  OE2  sing N N 171 
GLU   OE2 HE2  sing N N 172 
GLU   OXT HXT  sing N N 173 
GLY   N   CA   sing N N 174 
GLY   N   H    sing N N 175 
GLY   N   H2   sing N N 176 
GLY   CA  C    sing N N 177 
GLY   CA  HA2  sing N N 178 
GLY   CA  HA3  sing N N 179 
GLY   C   O    doub N N 180 
GLY   C   OXT  sing N N 181 
GLY   OXT HXT  sing N N 182 
HIS   N   CA   sing N N 183 
HIS   N   H    sing N N 184 
HIS   N   H2   sing N N 185 
HIS   CA  C    sing N N 186 
HIS   CA  CB   sing N N 187 
HIS   CA  HA   sing N N 188 
HIS   C   O    doub N N 189 
HIS   C   OXT  sing N N 190 
HIS   CB  CG   sing N N 191 
HIS   CB  HB2  sing N N 192 
HIS   CB  HB3  sing N N 193 
HIS   CG  ND1  sing Y N 194 
HIS   CG  CD2  doub Y N 195 
HIS   ND1 CE1  doub Y N 196 
HIS   ND1 HD1  sing N N 197 
HIS   CD2 NE2  sing Y N 198 
HIS   CD2 HD2  sing N N 199 
HIS   CE1 NE2  sing Y N 200 
HIS   CE1 HE1  sing N N 201 
HIS   NE2 HE2  sing N N 202 
HIS   OXT HXT  sing N N 203 
HOH   O   H1   sing N N 204 
HOH   O   H2   sing N N 205 
ILE   N   CA   sing N N 206 
ILE   N   H    sing N N 207 
ILE   N   H2   sing N N 208 
ILE   CA  C    sing N N 209 
ILE   CA  CB   sing N N 210 
ILE   CA  HA   sing N N 211 
ILE   C   O    doub N N 212 
ILE   C   OXT  sing N N 213 
ILE   CB  CG1  sing N N 214 
ILE   CB  CG2  sing N N 215 
ILE   CB  HB   sing N N 216 
ILE   CG1 CD1  sing N N 217 
ILE   CG1 HG12 sing N N 218 
ILE   CG1 HG13 sing N N 219 
ILE   CG2 HG21 sing N N 220 
ILE   CG2 HG22 sing N N 221 
ILE   CG2 HG23 sing N N 222 
ILE   CD1 HD11 sing N N 223 
ILE   CD1 HD12 sing N N 224 
ILE   CD1 HD13 sing N N 225 
ILE   OXT HXT  sing N N 226 
LEU   N   CA   sing N N 227 
LEU   N   H    sing N N 228 
LEU   N   H2   sing N N 229 
LEU   CA  C    sing N N 230 
LEU   CA  CB   sing N N 231 
LEU   CA  HA   sing N N 232 
LEU   C   O    doub N N 233 
LEU   C   OXT  sing N N 234 
LEU   CB  CG   sing N N 235 
LEU   CB  HB2  sing N N 236 
LEU   CB  HB3  sing N N 237 
LEU   CG  CD1  sing N N 238 
LEU   CG  CD2  sing N N 239 
LEU   CG  HG   sing N N 240 
LEU   CD1 HD11 sing N N 241 
LEU   CD1 HD12 sing N N 242 
LEU   CD1 HD13 sing N N 243 
LEU   CD2 HD21 sing N N 244 
LEU   CD2 HD22 sing N N 245 
LEU   CD2 HD23 sing N N 246 
LEU   OXT HXT  sing N N 247 
LYS   N   CA   sing N N 248 
LYS   N   H    sing N N 249 
LYS   N   H2   sing N N 250 
LYS   CA  C    sing N N 251 
LYS   CA  CB   sing N N 252 
LYS   CA  HA   sing N N 253 
LYS   C   O    doub N N 254 
LYS   C   OXT  sing N N 255 
LYS   CB  CG   sing N N 256 
LYS   CB  HB2  sing N N 257 
LYS   CB  HB3  sing N N 258 
LYS   CG  CD   sing N N 259 
LYS   CG  HG2  sing N N 260 
LYS   CG  HG3  sing N N 261 
LYS   CD  CE   sing N N 262 
LYS   CD  HD2  sing N N 263 
LYS   CD  HD3  sing N N 264 
LYS   CE  NZ   sing N N 265 
LYS   CE  HE2  sing N N 266 
LYS   CE  HE3  sing N N 267 
LYS   NZ  HZ1  sing N N 268 
LYS   NZ  HZ2  sing N N 269 
LYS   NZ  HZ3  sing N N 270 
LYS   OXT HXT  sing N N 271 
MET   N   CA   sing N N 272 
MET   N   H    sing N N 273 
MET   N   H2   sing N N 274 
MET   CA  C    sing N N 275 
MET   CA  CB   sing N N 276 
MET   CA  HA   sing N N 277 
MET   C   O    doub N N 278 
MET   C   OXT  sing N N 279 
MET   CB  CG   sing N N 280 
MET   CB  HB2  sing N N 281 
MET   CB  HB3  sing N N 282 
MET   CG  SD   sing N N 283 
MET   CG  HG2  sing N N 284 
MET   CG  HG3  sing N N 285 
MET   SD  CE   sing N N 286 
MET   CE  HE1  sing N N 287 
MET   CE  HE2  sing N N 288 
MET   CE  HE3  sing N N 289 
MET   OXT HXT  sing N N 290 
PHE   N   CA   sing N N 291 
PHE   N   H    sing N N 292 
PHE   N   H2   sing N N 293 
PHE   CA  C    sing N N 294 
PHE   CA  CB   sing N N 295 
PHE   CA  HA   sing N N 296 
PHE   C   O    doub N N 297 
PHE   C   OXT  sing N N 298 
PHE   CB  CG   sing N N 299 
PHE   CB  HB2  sing N N 300 
PHE   CB  HB3  sing N N 301 
PHE   CG  CD1  doub Y N 302 
PHE   CG  CD2  sing Y N 303 
PHE   CD1 CE1  sing Y N 304 
PHE   CD1 HD1  sing N N 305 
PHE   CD2 CE2  doub Y N 306 
PHE   CD2 HD2  sing N N 307 
PHE   CE1 CZ   doub Y N 308 
PHE   CE1 HE1  sing N N 309 
PHE   CE2 CZ   sing Y N 310 
PHE   CE2 HE2  sing N N 311 
PHE   CZ  HZ   sing N N 312 
PHE   OXT HXT  sing N N 313 
PRO   N   CA   sing N N 314 
PRO   N   CD   sing N N 315 
PRO   N   H    sing N N 316 
PRO   CA  C    sing N N 317 
PRO   CA  CB   sing N N 318 
PRO   CA  HA   sing N N 319 
PRO   C   O    doub N N 320 
PRO   C   OXT  sing N N 321 
PRO   CB  CG   sing N N 322 
PRO   CB  HB2  sing N N 323 
PRO   CB  HB3  sing N N 324 
PRO   CG  CD   sing N N 325 
PRO   CG  HG2  sing N N 326 
PRO   CG  HG3  sing N N 327 
PRO   CD  HD2  sing N N 328 
PRO   CD  HD3  sing N N 329 
PRO   OXT HXT  sing N N 330 
SER   N   CA   sing N N 331 
SER   N   H    sing N N 332 
SER   N   H2   sing N N 333 
SER   CA  C    sing N N 334 
SER   CA  CB   sing N N 335 
SER   CA  HA   sing N N 336 
SER   C   O    doub N N 337 
SER   C   OXT  sing N N 338 
SER   CB  OG   sing N N 339 
SER   CB  HB2  sing N N 340 
SER   CB  HB3  sing N N 341 
SER   OG  HG   sing N N 342 
SER   OXT HXT  sing N N 343 
THR   N   CA   sing N N 344 
THR   N   H    sing N N 345 
THR   N   H2   sing N N 346 
THR   CA  C    sing N N 347 
THR   CA  CB   sing N N 348 
THR   CA  HA   sing N N 349 
THR   C   O    doub N N 350 
THR   C   OXT  sing N N 351 
THR   CB  OG1  sing N N 352 
THR   CB  CG2  sing N N 353 
THR   CB  HB   sing N N 354 
THR   OG1 HG1  sing N N 355 
THR   CG2 HG21 sing N N 356 
THR   CG2 HG22 sing N N 357 
THR   CG2 HG23 sing N N 358 
THR   OXT HXT  sing N N 359 
TRP   N   CA   sing N N 360 
TRP   N   H    sing N N 361 
TRP   N   H2   sing N N 362 
TRP   CA  C    sing N N 363 
TRP   CA  CB   sing N N 364 
TRP   CA  HA   sing N N 365 
TRP   C   O    doub N N 366 
TRP   C   OXT  sing N N 367 
TRP   CB  CG   sing N N 368 
TRP   CB  HB2  sing N N 369 
TRP   CB  HB3  sing N N 370 
TRP   CG  CD1  doub Y N 371 
TRP   CG  CD2  sing Y N 372 
TRP   CD1 NE1  sing Y N 373 
TRP   CD1 HD1  sing N N 374 
TRP   CD2 CE2  doub Y N 375 
TRP   CD2 CE3  sing Y N 376 
TRP   NE1 CE2  sing Y N 377 
TRP   NE1 HE1  sing N N 378 
TRP   CE2 CZ2  sing Y N 379 
TRP   CE3 CZ3  doub Y N 380 
TRP   CE3 HE3  sing N N 381 
TRP   CZ2 CH2  doub Y N 382 
TRP   CZ2 HZ2  sing N N 383 
TRP   CZ3 CH2  sing Y N 384 
TRP   CZ3 HZ3  sing N N 385 
TRP   CH2 HH2  sing N N 386 
TRP   OXT HXT  sing N N 387 
TYR   N   CA   sing N N 388 
TYR   N   H    sing N N 389 
TYR   N   H2   sing N N 390 
TYR   CA  C    sing N N 391 
TYR   CA  CB   sing N N 392 
TYR   CA  HA   sing N N 393 
TYR   C   O    doub N N 394 
TYR   C   OXT  sing N N 395 
TYR   CB  CG   sing N N 396 
TYR   CB  HB2  sing N N 397 
TYR   CB  HB3  sing N N 398 
TYR   CG  CD1  doub Y N 399 
TYR   CG  CD2  sing Y N 400 
TYR   CD1 CE1  sing Y N 401 
TYR   CD1 HD1  sing N N 402 
TYR   CD2 CE2  doub Y N 403 
TYR   CD2 HD2  sing N N 404 
TYR   CE1 CZ   doub Y N 405 
TYR   CE1 HE1  sing N N 406 
TYR   CE2 CZ   sing Y N 407 
TYR   CE2 HE2  sing N N 408 
TYR   CZ  OH   sing N N 409 
TYR   OH  HH   sing N N 410 
TYR   OXT HXT  sing N N 411 
VAL   N   CA   sing N N 412 
VAL   N   H    sing N N 413 
VAL   N   H2   sing N N 414 
VAL   CA  C    sing N N 415 
VAL   CA  CB   sing N N 416 
VAL   CA  HA   sing N N 417 
VAL   C   O    doub N N 418 
VAL   C   OXT  sing N N 419 
VAL   CB  CG1  sing N N 420 
VAL   CB  CG2  sing N N 421 
VAL   CB  HB   sing N N 422 
VAL   CG1 HG11 sing N N 423 
VAL   CG1 HG12 sing N N 424 
VAL   CG1 HG13 sing N N 425 
VAL   CG2 HG21 sing N N 426 
VAL   CG2 HG22 sing N N 427 
VAL   CG2 HG23 sing N N 428 
VAL   OXT HXT  sing N N 429 
# 
_pdbx_audit_support.funding_organization   'Australian Research Council (ARC)' 
_pdbx_audit_support.country                Australia 
_pdbx_audit_support.grant_number           IC180100021 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_deposit_group.group_id            G_1002340 
_pdbx_deposit_group.group_description   
'Crystallographic fragment screen of ZIKV NS2B-NS3 protease at the XChem facility of Diamond Light Source beamline I04-1' 
_pdbx_deposit_group.group_title         'PanDDA analysis group deposition' 
_pdbx_deposit_group.group_type          'changed state' 
# 
_pdbx_initial_refinement_model.accession_code   8PN6 
_pdbx_initial_refinement_model.details          ? 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.type             'experimental model' 
# 
_atom_sites.entry_id                    7I20 
_atom_sites.fract_transf_matrix[1][1]   0.023463 
_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]   0.023463 
_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]   0.004611 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . ASP   A 1 7   ? -21.054 19.226  -7.297  1.00 77.34  ? 50  ASP   A N   1 
ATOM   2    C CA  . ASP   A 1 7   ? -22.294 18.424  -7.406  1.00 75.29  ? 50  ASP   A CA  1 
ATOM   3    C C   . ASP   A 1 7   ? -22.342 17.792  -8.805  1.00 78.42  ? 50  ASP   A C   1 
ATOM   4    O O   . ASP   A 1 7   ? -21.993 18.473  -9.796  1.00 76.91  ? 50  ASP   A O   1 
ATOM   5    C CB  . ASP   A 1 7   ? -23.528 19.270  -7.090  1.00 80.44  ? 50  ASP   A CB  1 
ATOM   6    C CG  . ASP   A 1 7   ? -24.819 18.475  -6.986  1.00 86.29  ? 50  ASP   A CG  1 
ATOM   7    O OD1 . ASP   A 1 7   ? -25.087 17.916  -5.892  1.00 88.93  ? 50  ASP   A OD1 1 
ATOM   8    O OD2 . ASP   A 1 7   ? -25.547 18.417  -8.004  1.00 91.90  ? 50  ASP   A OD2 1 
ATOM   9    N N   . MET   A 1 8   ? -22.742 16.522  -8.865  1.00 68.21  ? 51  MET   A N   1 
ATOM   10   C CA  . MET   A 1 8   ? -22.570 15.640  -10.044 1.00 66.36  ? 51  MET   A CA  1 
ATOM   11   C C   . MET   A 1 8   ? -23.951 15.343  -10.598 1.00 51.71  ? 51  MET   A C   1 
ATOM   12   O O   . MET   A 1 8   ? -24.883 15.222  -9.789  1.00 55.20  ? 51  MET   A O   1 
ATOM   13   C CB  . MET   A 1 8   ? -21.922 14.301  -9.672  1.00 67.56  ? 51  MET   A CB  1 
ATOM   14   C CG  . MET   A 1 8   ? -20.445 14.361  -9.437  1.00 67.41  ? 51  MET   A CG  1 
ATOM   15   S SD  . MET   A 1 8   ? -19.783 12.672  -9.298  1.00 71.58  ? 51  MET   A SD  1 
ATOM   16   C CE  . MET   A 1 8   ? -18.061 13.048  -8.970  1.00 65.10  ? 51  MET   A CE  1 
ATOM   17   N N   . TYR   A 1 9   ? -24.050 15.172  -11.911 1.00 48.93  ? 52  TYR   A N   1 
ATOM   18   C CA  . TYR   A 1 9   ? -25.335 14.899  -12.602 1.00 53.85  ? 52  TYR   A CA  1 
ATOM   19   C C   . TYR   A 1 9   ? -25.102 13.951  -13.776 1.00 53.34  ? 52  TYR   A C   1 
ATOM   20   O O   . TYR   A 1 9   ? -23.962 13.881  -14.283 1.00 49.44  ? 52  TYR   A O   1 
ATOM   21   C CB  . TYR   A 1 9   ? -25.991 16.221  -13.016 1.00 52.62  ? 52  TYR   A CB  1 
ATOM   22   C CG  . TYR   A 1 9   ? -25.260 16.966  -14.099 1.00 51.06  ? 52  TYR   A CG  1 
ATOM   23   C CD1 . TYR   A 1 9   ? -24.210 17.814  -13.787 1.00 49.93  ? 52  TYR   A CD1 1 
ATOM   24   C CD2 . TYR   A 1 9   ? -25.603 16.811  -15.433 1.00 52.59  ? 52  TYR   A CD2 1 
ATOM   25   C CE1 . TYR   A 1 9   ? -23.528 18.510  -14.770 1.00 49.18  ? 52  TYR   A CE1 1 
ATOM   26   C CE2 . TYR   A 1 9   ? -24.927 17.499  -16.431 1.00 56.55  ? 52  TYR   A CE2 1 
ATOM   27   C CZ  . TYR   A 1 9   ? -23.894 18.363  -16.090 1.00 50.50  ? 52  TYR   A CZ  1 
ATOM   28   O OH  . TYR   A 1 9   ? -23.207 19.044  -17.054 1.00 59.98  ? 52  TYR   A OH  1 
ATOM   29   N N   . ILE   A 1 10  ? -26.181 13.296  -14.215 1.00 51.57  ? 53  ILE   A N   1 
ATOM   30   C CA  . ILE   A 1 10  ? -26.177 12.283  -15.307 1.00 54.01  ? 53  ILE   A CA  1 
ATOM   31   C C   . ILE   A 1 10  ? -26.951 12.804  -16.535 1.00 57.05  ? 53  ILE   A C   1 
ATOM   32   O O   . ILE   A 1 10  ? -27.950 13.512  -16.345 1.00 55.74  ? 53  ILE   A O   1 
ATOM   33   C CB  . ILE   A 1 10  ? -26.732 10.933  -14.787 1.00 53.42  ? 53  ILE   A CB  1 
ATOM   34   C CG1 . ILE   A 1 10  ? -28.150 11.036  -14.231 1.00 55.30  ? 53  ILE   A CG1 1 
ATOM   35   C CG2 . ILE   A 1 10  ? -25.799 10.337  -13.741 1.00 54.54  ? 53  ILE   A CG2 1 
ATOM   36   C CD1 . ILE   A 1 10  ? -28.840 9.690   -14.079 1.00 58.64  ? 53  ILE   A CD1 1 
ATOM   37   N N   . GLU   A 1 11  ? -26.502 12.443  -17.745 1.00 60.70  ? 54  GLU   A N   1 
ATOM   38   C CA  . GLU   A 1 11  ? -27.206 12.656  -19.050 1.00 63.00  ? 54  GLU   A CA  1 
ATOM   39   C C   . GLU   A 1 11  ? -27.204 11.350  -19.861 1.00 59.68  ? 54  GLU   A C   1 
ATOM   40   O O   . GLU   A 1 11  ? -26.129 10.745  -20.001 1.00 51.09  ? 54  GLU   A O   1 
ATOM   41   C CB  . GLU   A 1 11  ? -26.504 13.715  -19.903 1.00 63.72  ? 54  GLU   A CB  1 
ATOM   42   C CG  . GLU   A 1 11  ? -26.522 15.121  -19.333 1.00 69.69  ? 54  GLU   A CG  1 
ATOM   43   C CD  . GLU   A 1 11  ? -25.637 16.126  -20.066 1.00 77.15  ? 54  GLU   A CD  1 
ATOM   44   O OE1 . GLU   A 1 11  ? -24.746 15.710  -20.847 1.00 73.45  ? 54  GLU   A OE1 1 
ATOM   45   O OE2 . GLU   A 1 11  ? -25.822 17.333  -19.845 1.00 81.93  ? 54  GLU   A OE2 1 
ATOM   46   N N   . ARG   A 1 12  ? -28.348 10.942  -20.417 1.00 57.45  ? 55  ARG   A N   1 
ATOM   47   C CA  . ARG   A 1 12  ? -28.465 9.697   -21.222 1.00 53.15  ? 55  ARG   A CA  1 
ATOM   48   C C   . ARG   A 1 12  ? -27.576 9.821   -22.462 1.00 58.26  ? 55  ARG   A C   1 
ATOM   49   O O   . ARG   A 1 12  ? -27.442 10.954  -22.980 1.00 60.90  ? 55  ARG   A O   1 
ATOM   50   C CB  . ARG   A 1 12  ? -29.926 9.436   -21.569 1.00 50.54  ? 55  ARG   A CB  1 
ATOM   51   C CG  . ARG   A 1 12  ? -30.176 8.097   -22.238 1.00 53.99  ? 55  ARG   A CG  1 
ATOM   52   C CD  . ARG   A 1 12  ? -31.612 7.643   -22.044 1.00 57.44  ? 55  ARG   A CD  1 
ATOM   53   N NE  . ARG   A 1 12  ? -31.810 6.229   -22.290 1.00 59.71  ? 55  ARG   A NE  1 
ATOM   54   C CZ  . ARG   A 1 12  ? -31.679 5.653   -23.479 1.00 63.31  ? 55  ARG   A CZ  1 
ATOM   55   N NH1 . ARG   A 1 12  ? -31.363 6.366   -24.545 1.00 72.57  ? 55  ARG   A NH1 1 
ATOM   56   N NH2 . ARG   A 1 12  ? -31.861 4.353   -23.604 1.00 68.26  ? 55  ARG   A NH2 1 
ATOM   57   N N   . ALA   A 1 13  ? -26.899 8.732   -22.864 1.00 62.13  ? 56  ALA   A N   1 
ATOM   58   C CA  . ALA   A 1 13  ? -25.899 8.739   -23.971 1.00 52.59  ? 56  ALA   A CA  1 
ATOM   59   C C   . ALA   A 1 13  ? -26.147 7.612   -24.975 1.00 47.39  ? 56  ALA   A C   1 
ATOM   60   O O   . ALA   A 1 13  ? -25.438 7.578   -25.992 1.00 48.90  ? 56  ALA   A O   1 
ATOM   61   C CB  . ALA   A 1 13  ? -24.480 8.703   -23.433 1.00 59.63  ? 56  ALA   A CB  1 
ATOM   62   N N   . GLY   A 1 14  ? -27.128 6.741   -24.747 1.00 44.20  ? 57  GLY   A N   1 
ATOM   63   C CA  . GLY   A 1 14  ? -27.516 5.747   -25.752 1.00 44.45  ? 57  GLY   A CA  1 
ATOM   64   C C   . GLY   A 1 14  ? -28.228 4.582   -25.116 1.00 47.01  ? 57  GLY   A C   1 
ATOM   65   O O   . GLY   A 1 14  ? -28.267 4.562   -23.862 1.00 53.11  ? 57  GLY   A O   1 
ATOM   66   N N   . ASP   A 1 15  ? -28.736 3.667   -25.956 1.00 50.65  ? 58  ASP   A N   1 
ATOM   67   C CA  . ASP   A 1 15  ? -29.235 2.313   -25.587 1.00 56.83  ? 58  ASP   A CA  1 
ATOM   68   C C   . ASP   A 1 15  ? -28.060 1.342   -25.423 1.00 66.01  ? 58  ASP   A C   1 
ATOM   69   O O   . ASP   A 1 15  ? -26.955 1.610   -25.973 1.00 59.51  ? 58  ASP   A O   1 
ATOM   70   C CB  . ASP   A 1 15  ? -30.152 1.722   -26.656 1.00 55.45  ? 58  ASP   A CB  1 
ATOM   71   C CG  . ASP   A 1 15  ? -31.432 2.508   -26.816 1.00 63.27  ? 58  ASP   A CG  1 
ATOM   72   O OD1 . ASP   A 1 15  ? -31.619 3.456   -26.043 1.00 62.00  ? 58  ASP   A OD1 1 
ATOM   73   O OD2 . ASP   A 1 15  ? -32.221 2.172   -27.709 1.00 65.39  ? 58  ASP   A OD2 1 
ATOM   74   N N   . ILE   A 1 16  ? -28.301 0.244   -24.702 1.00 66.23  ? 59  ILE   A N   1 
ATOM   75   C CA  . ILE   A 1 16  ? -27.318 -0.861  -24.531 1.00 64.78  ? 59  ILE   A CA  1 
ATOM   76   C C   . ILE   A 1 16  ? -27.753 -1.984  -25.476 1.00 58.88  ? 59  ILE   A C   1 
ATOM   77   O O   . ILE   A 1 16  ? -28.703 -2.726  -25.153 1.00 53.96  ? 59  ILE   A O   1 
ATOM   78   C CB  . ILE   A 1 16  ? -27.229 -1.275  -23.055 1.00 69.24  ? 59  ILE   A CB  1 
ATOM   79   C CG1 . ILE   A 1 16  ? -26.632 -0.131  -22.229 1.00 69.37  ? 59  ILE   A CG1 1 
ATOM   80   C CG2 . ILE   A 1 16  ? -26.427 -2.560  -22.911 1.00 71.98  ? 59  ILE   A CG2 1 
ATOM   81   C CD1 . ILE   A 1 16  ? -27.046 -0.132  -20.780 1.00 73.91  ? 59  ILE   A CD1 1 
ATOM   82   N N   A THR   A 1 17  ? -27.065 -2.084  -26.620 0.25 57.42  ? 60  THR   A N   1 
ATOM   83   N N   B THR   A 1 17  ? -27.078 -2.101  -26.621 0.25 58.35  ? 60  THR   A N   1 
ATOM   84   N N   C THR   A 1 17  ? -27.065 -2.084  -26.620 0.25 57.42  ? 60  THR   A N   1 
ATOM   85   N N   D THR   A 1 17  ? -27.078 -2.101  -26.621 0.25 58.35  ? 60  THR   A N   1 
ATOM   86   C CA  A THR   A 1 17  ? -27.388 -2.977  -27.766 0.25 56.72  ? 60  THR   A CA  1 
ATOM   87   C CA  B THR   A 1 17  ? -27.420 -3.068  -27.696 0.25 58.40  ? 60  THR   A CA  1 
ATOM   88   C CA  C THR   A 1 17  ? -27.388 -2.977  -27.766 0.25 56.72  ? 60  THR   A CA  1 
ATOM   89   C CA  D THR   A 1 17  ? -27.420 -3.068  -27.696 0.25 58.40  ? 60  THR   A CA  1 
ATOM   90   C C   A THR   A 1 17  ? -26.095 -3.526  -28.385 0.25 57.25  ? 60  THR   A C   1 
ATOM   91   C C   B THR   A 1 17  ? -26.143 -3.523  -28.413 0.25 58.41  ? 60  THR   A C   1 
ATOM   92   C C   C THR   A 1 17  ? -26.095 -3.526  -28.385 0.25 57.25  ? 60  THR   A C   1 
ATOM   93   C C   D THR   A 1 17  ? -26.143 -3.523  -28.413 0.25 58.41  ? 60  THR   A C   1 
ATOM   94   O O   A THR   A 1 17  ? -25.124 -2.747  -28.539 0.25 54.48  ? 60  THR   A O   1 
ATOM   95   O O   B THR   A 1 17  ? -25.237 -2.688  -28.640 0.25 56.15  ? 60  THR   A O   1 
ATOM   96   O O   C THR   A 1 17  ? -25.124 -2.747  -28.539 0.25 54.48  ? 60  THR   A O   1 
ATOM   97   O O   D THR   A 1 17  ? -25.237 -2.688  -28.640 0.25 56.15  ? 60  THR   A O   1 
ATOM   98   C CB  A THR   A 1 17  ? -28.203 -2.223  -28.827 0.25 54.89  ? 60  THR   A CB  1 
ATOM   99   C CB  B THR   A 1 17  ? -28.478 -2.467  -28.631 0.25 57.54  ? 60  THR   A CB  1 
ATOM   100  C CB  C THR   A 1 17  ? -28.203 -2.223  -28.827 0.25 54.89  ? 60  THR   A CB  1 
ATOM   101  C CB  D THR   A 1 17  ? -28.478 -2.467  -28.631 0.25 57.54  ? 60  THR   A CB  1 
ATOM   102  O OG1 A THR   A 1 17  ? -27.376 -1.208  -29.395 0.25 51.83  ? 60  THR   A OG1 1 
ATOM   103  O OG1 B THR   A 1 17  ? -29.743 -2.681  -28.004 0.25 58.28  ? 60  THR   A OG1 1 
ATOM   104  O OG1 C THR   A 1 17  ? -27.376 -1.208  -29.395 0.25 51.83  ? 60  THR   A OG1 1 
ATOM   105  O OG1 D THR   A 1 17  ? -29.743 -2.681  -28.004 0.25 58.28  ? 60  THR   A OG1 1 
ATOM   106  C CG2 A THR   A 1 17  ? -29.457 -1.588  -28.271 0.25 55.22  ? 60  THR   A CG2 1 
ATOM   107  C CG2 B THR   A 1 17  ? -28.486 -3.086  -30.011 0.25 56.32  ? 60  THR   A CG2 1 
ATOM   108  C CG2 C THR   A 1 17  ? -29.457 -1.588  -28.271 0.25 55.22  ? 60  THR   A CG2 1 
ATOM   109  C CG2 D THR   A 1 17  ? -28.486 -3.086  -30.011 0.25 56.32  ? 60  THR   A CG2 1 
ATOM   110  N N   . TRP   A 1 18  ? -26.081 -4.816  -28.735 1.00 58.23  ? 61  TRP   A N   1 
ATOM   111  C CA  . TRP   A 1 18  ? -24.995 -5.399  -29.557 1.00 67.51  ? 61  TRP   A CA  1 
ATOM   112  C C   . TRP   A 1 18  ? -25.183 -4.840  -30.973 1.00 72.98  ? 61  TRP   A C   1 
ATOM   113  O O   . TRP   A 1 18  ? -26.333 -4.906  -31.457 1.00 64.22  ? 61  TRP   A O   1 
ATOM   114  C CB  . TRP   A 1 18  ? -25.045 -6.926  -29.519 1.00 70.79  ? 61  TRP   A CB  1 
ATOM   115  C CG  . TRP   A 1 18  ? -23.928 -7.569  -30.280 1.00 82.46  ? 61  TRP   A CG  1 
ATOM   116  C CD1 . TRP   A 1 18  ? -23.911 -7.854  -31.613 1.00 84.59  ? 61  TRP   A CD1 1 
ATOM   117  C CD2 . TRP   A 1 18  ? -22.653 -7.991  -29.759 1.00 82.84  ? 61  TRP   A CD2 1 
ATOM   118  N NE1 . TRP   A 1 18  ? -22.714 -8.418  -31.957 1.00 90.92  ? 61  TRP   A NE1 1 
ATOM   119  C CE2 . TRP   A 1 18  ? -21.928 -8.532  -30.840 1.00 92.09  ? 61  TRP   A CE2 1 
ATOM   120  C CE3 . TRP   A 1 18  ? -22.060 -7.981  -28.492 1.00 80.90  ? 61  TRP   A CE3 1 
ATOM   121  C CZ2 . TRP   A 1 18  ? -20.642 -9.051  -30.690 1.00 91.58  ? 61  TRP   A CZ2 1 
ATOM   122  C CZ3 . TRP   A 1 18  ? -20.792 -8.496  -28.343 1.00 85.53  ? 61  TRP   A CZ3 1 
ATOM   123  C CH2 . TRP   A 1 18  ? -20.092 -9.022  -29.428 1.00 88.72  ? 61  TRP   A CH2 1 
ATOM   124  N N   . GLU   A 1 19  ? -24.135 -4.240  -31.553 1.00 72.10  ? 62  GLU   A N   1 
ATOM   125  C CA  . GLU   A 1 19  ? -24.160 -3.605  -32.897 1.00 79.63  ? 62  GLU   A CA  1 
ATOM   126  C C   . GLU   A 1 19  ? -23.339 -4.448  -33.877 1.00 81.28  ? 62  GLU   A C   1 
ATOM   127  O O   . GLU   A 1 19  ? -22.095 -4.344  -33.833 1.00 83.37  ? 62  GLU   A O   1 
ATOM   128  C CB  . GLU   A 1 19  ? -23.611 -2.180  -32.828 1.00 90.62  ? 62  GLU   A CB  1 
ATOM   129  C CG  . GLU   A 1 19  ? -24.450 -1.246  -31.960 1.00 106.75 ? 62  GLU   A CG  1 
ATOM   130  C CD  . GLU   A 1 19  ? -25.812 -0.855  -32.516 1.00 112.72 ? 62  GLU   A CD  1 
ATOM   131  O OE1 . GLU   A 1 19  ? -25.860 -0.148  -33.558 1.00 108.31 ? 62  GLU   A OE1 1 
ATOM   132  O OE2 . GLU   A 1 19  ? -26.827 -1.257  -31.907 1.00 113.80 ? 62  GLU   A OE2 1 
ATOM   133  N N   . LYS   A 1 20  ? -24.014 -5.225  -34.735 1.00 82.96  ? 63  LYS   A N   1 
ATOM   134  C CA  . LYS   A 1 20  ? -23.382 -6.129  -35.740 1.00 84.63  ? 63  LYS   A CA  1 
ATOM   135  C C   . LYS   A 1 20  ? -22.511 -5.305  -36.691 1.00 77.72  ? 63  LYS   A C   1 
ATOM   136  O O   . LYS   A 1 20  ? -22.944 -4.217  -37.099 1.00 85.08  ? 63  LYS   A O   1 
ATOM   137  C CB  . LYS   A 1 20  ? -24.423 -6.955  -36.504 1.00 86.91  ? 63  LYS   A CB  1 
ATOM   138  C CG  . LYS   A 1 20  ? -24.369 -8.440  -36.185 1.00 96.96  ? 63  LYS   A CG  1 
ATOM   139  C CD  . LYS   A 1 20  ? -25.488 -9.291  -36.744 1.00 109.88 ? 63  LYS   A CD  1 
ATOM   140  C CE  . LYS   A 1 20  ? -25.296 -10.764 -36.421 1.00 109.70 ? 63  LYS   A CE  1 
ATOM   141  N NZ  . LYS   A 1 20  ? -26.568 -11.524 -36.482 1.00 111.26 ? 63  LYS   A NZ  1 
ATOM   142  N N   . ASP   A 1 21  ? -21.315 -5.806  -37.001 1.00 75.75  ? 64  ASP   A N   1 
ATOM   143  C CA  . ASP   A 1 21  ? -20.296 -5.084  -37.807 1.00 86.68  ? 64  ASP   A CA  1 
ATOM   144  C C   . ASP   A 1 21  ? -19.958 -3.759  -37.113 1.00 78.22  ? 64  ASP   A C   1 
ATOM   145  O O   . ASP   A 1 21  ? -20.010 -2.710  -37.774 1.00 71.93  ? 64  ASP   A O   1 
ATOM   146  C CB  . ASP   A 1 21  ? -20.767 -4.844  -39.249 1.00 104.91 ? 64  ASP   A CB  1 
ATOM   147  C CG  . ASP   A 1 21  ? -21.156 -6.096  -40.029 1.00 114.12 ? 64  ASP   A CG  1 
ATOM   148  O OD1 . ASP   A 1 21  ? -20.240 -6.892  -40.368 1.00 114.80 ? 64  ASP   A OD1 1 
ATOM   149  O OD2 . ASP   A 1 21  ? -22.374 -6.265  -40.304 1.00 105.34 ? 64  ASP   A OD2 1 
ATOM   150  N N   . ALA   A 1 22  ? -19.628 -3.814  -35.821 1.00 76.84  ? 65  ALA   A N   1 
ATOM   151  C CA  . ALA   A 1 22  ? -18.926 -2.736  -35.087 1.00 72.28  ? 65  ALA   A CA  1 
ATOM   152  C C   . ALA   A 1 22  ? -17.434 -2.836  -35.417 1.00 67.04  ? 65  ALA   A C   1 
ATOM   153  O O   . ALA   A 1 22  ? -17.007 -3.877  -35.956 1.00 62.76  ? 65  ALA   A O   1 
ATOM   154  C CB  . ALA   A 1 22  ? -19.181 -2.858  -33.606 1.00 72.81  ? 65  ALA   A CB  1 
ATOM   155  N N   . GLU   A 1 23  ? -16.681 -1.774  -35.158 1.00 70.36  ? 66  GLU   A N   1 
ATOM   156  C CA  . GLU   A 1 23  ? -15.205 -1.765  -35.305 1.00 72.58  ? 66  GLU   A CA  1 
ATOM   157  C C   . GLU   A 1 23  ? -14.658 -2.890  -34.417 1.00 83.83  ? 66  GLU   A C   1 
ATOM   158  O O   . GLU   A 1 23  ? -15.029 -2.924  -33.232 1.00 88.08  ? 66  GLU   A O   1 
ATOM   159  C CB  . GLU   A 1 23  ? -14.687 -0.380  -34.926 1.00 74.61  ? 66  GLU   A CB  1 
ATOM   160  C CG  . GLU   A 1 23  ? -13.186 -0.288  -34.756 1.00 79.01  ? 66  GLU   A CG  1 
ATOM   161  C CD  . GLU   A 1 23  ? -12.747 1.088   -34.284 1.00 91.72  ? 66  GLU   A CD  1 
ATOM   162  O OE1 . GLU   A 1 23  ? -13.605 1.997   -34.216 1.00 100.75 ? 66  GLU   A OE1 1 
ATOM   163  O OE2 . GLU   A 1 23  ? -11.555 1.252   -33.973 1.00 97.93  ? 66  GLU   A OE2 1 
ATOM   164  N N   . VAL   A 1 24  ? -13.867 -3.803  -34.988 1.00 85.07  ? 67  VAL   A N   1 
ATOM   165  C CA  . VAL   A 1 24  ? -13.243 -4.966  -34.288 1.00 74.83  ? 67  VAL   A CA  1 
ATOM   166  C C   . VAL   A 1 24  ? -11.751 -4.669  -34.100 1.00 75.73  ? 67  VAL   A C   1 
ATOM   167  O O   . VAL   A 1 24  ? -11.094 -4.357  -35.092 1.00 77.92  ? 67  VAL   A O   1 
ATOM   168  C CB  . VAL   A 1 24  ? -13.481 -6.271  -35.068 1.00 73.02  ? 67  VAL   A CB  1 
ATOM   169  C CG1 . VAL   A 1 24  ? -12.963 -7.473  -34.307 1.00 68.76  ? 67  VAL   A CG1 1 
ATOM   170  C CG2 . VAL   A 1 24  ? -14.952 -6.452  -35.419 1.00 68.89  ? 67  VAL   A CG2 1 
ATOM   171  N N   . THR   A 1 25  ? -11.245 -4.726  -32.865 1.00 76.34  ? 68  THR   A N   1 
ATOM   172  C CA  . THR   A 1 25  ? -9.858  -4.318  -32.510 1.00 67.91  ? 68  THR   A CA  1 
ATOM   173  C C   . THR   A 1 25  ? -9.498  -4.832  -31.111 1.00 69.65  ? 68  THR   A C   1 
ATOM   174  O O   . THR   A 1 25  ? -10.332 -5.541  -30.522 1.00 71.71  ? 68  THR   A O   1 
ATOM   175  C CB  . THR   A 1 25  ? -9.703  -2.797  -32.622 1.00 73.28  ? 68  THR   A CB  1 
ATOM   176  O OG1 . THR   A 1 25  ? -8.318  -2.496  -32.454 1.00 70.31  ? 68  THR   A OG1 1 
ATOM   177  C CG2 . THR   A 1 25  ? -10.523 -2.027  -31.606 1.00 74.96  ? 68  THR   A CG2 1 
ATOM   178  N N   . GLY   A 1 26  ? -8.293  -4.491  -30.628 1.00 64.07  ? 69  GLY   A N   1 
ATOM   179  C CA  . GLY   A 1 26  ? -7.721  -4.932  -29.342 1.00 66.81  ? 69  GLY   A CA  1 
ATOM   180  C C   . GLY   A 1 26  ? -7.219  -6.371  -29.345 1.00 67.73  ? 69  GLY   A C   1 
ATOM   181  O O   . GLY   A 1 26  ? -7.885  -7.250  -29.923 1.00 68.95  ? 69  GLY   A O   1 
ATOM   182  N N   . ASN   A 1 27  ? -6.137  -6.614  -28.604 1.00 76.99  ? 70  ASN   A N   1 
ATOM   183  C CA  . ASN   A 1 27  ? -5.521  -7.951  -28.356 1.00 80.63  ? 70  ASN   A CA  1 
ATOM   184  C C   . ASN   A 1 27  ? -6.110  -8.604  -27.088 1.00 75.17  ? 70  ASN   A C   1 
ATOM   185  O O   . ASN   A 1 27  ? -7.140  -8.083  -26.554 1.00 66.62  ? 70  ASN   A O   1 
ATOM   186  C CB  . ASN   A 1 27  ? -4.001  -7.807  -28.281 1.00 81.27  ? 70  ASN   A CB  1 
ATOM   187  C CG  . ASN   A 1 27  ? -3.599  -6.648  -27.404 1.00 86.20  ? 70  ASN   A CG  1 
ATOM   188  O OD1 . ASN   A 1 27  ? -4.122  -5.545  -27.564 1.00 100.31 ? 70  ASN   A OD1 1 
ATOM   189  N ND2 . ASN   A 1 27  ? -2.699  -6.891  -26.467 1.00 89.47  ? 70  ASN   A ND2 1 
ATOM   190  N N   . SER   A 1 28  ? -5.507  -9.719  -26.637 1.00 66.42  ? 71  SER   A N   1 
ATOM   191  C CA  . SER   A 1 28  ? -6.032  -10.612 -25.565 1.00 66.74  ? 71  SER   A CA  1 
ATOM   192  C C   . SER   A 1 28  ? -4.923  -11.117 -24.647 1.00 65.12  ? 71  SER   A C   1 
ATOM   193  O O   . SER   A 1 28  ? -4.705  -12.316 -24.563 1.00 68.06  ? 71  SER   A O   1 
ATOM   194  C CB  . SER   A 1 28  ? -6.769  -11.770 -26.166 1.00 59.44  ? 71  SER   A CB  1 
ATOM   195  O OG  . SER   A 1 28  ? -7.802  -11.311 -27.020 1.00 73.62  ? 71  SER   A OG  1 
ATOM   196  N N   . PRO   A 1 29  ? -4.222  -10.240 -23.897 1.00 65.60  ? 72  PRO   A N   1 
ATOM   197  C CA  . PRO   A 1 29  ? -3.122  -10.671 -23.030 1.00 69.31  ? 72  PRO   A CA  1 
ATOM   198  C C   . PRO   A 1 29  ? -3.554  -11.442 -21.773 1.00 70.75  ? 72  PRO   A C   1 
ATOM   199  O O   . PRO   A 1 29  ? -4.589  -11.120 -21.209 1.00 63.06  ? 72  PRO   A O   1 
ATOM   200  C CB  . PRO   A 1 29  ? -2.445  -9.351  -22.622 1.00 71.41  ? 72  PRO   A CB  1 
ATOM   201  C CG  . PRO   A 1 29  ? -3.541  -8.299  -22.734 1.00 72.60  ? 72  PRO   A CG  1 
ATOM   202  C CD  . PRO   A 1 29  ? -4.445  -8.787  -23.850 1.00 71.48  ? 72  PRO   A CD  1 
ATOM   203  N N   . ARG   A 1 30  ? -2.753  -12.437 -21.377 1.00 72.15  ? 73  ARG   A N   1 
ATOM   204  C CA  . ARG   A 1 30  ? -2.857  -13.153 -20.074 1.00 76.21  ? 73  ARG   A CA  1 
ATOM   205  C C   . ARG   A 1 30  ? -1.876  -12.508 -19.089 1.00 71.58  ? 73  ARG   A C   1 
ATOM   206  O O   . ARG   A 1 30  ? -0.671  -12.592 -19.325 1.00 69.15  ? 73  ARG   A O   1 
ATOM   207  C CB  . ARG   A 1 30  ? -2.575  -14.645 -20.250 1.00 84.06  ? 73  ARG   A CB  1 
ATOM   208  C CG  . ARG   A 1 30  ? -3.575  -15.352 -21.153 1.00 95.50  ? 73  ARG   A CG  1 
ATOM   209  C CD  . ARG   A 1 30  ? -3.107  -16.743 -21.551 1.00 105.83 ? 73  ARG   A CD  1 
ATOM   210  N NE  . ARG   A 1 30  ? -4.010  -17.341 -22.526 1.00 110.61 ? 73  ARG   A NE  1 
ATOM   211  C CZ  . ARG   A 1 30  ? -5.167  -17.932 -22.238 1.00 113.02 ? 73  ARG   A CZ  1 
ATOM   212  N NH1 . ARG   A 1 30  ? -5.580  -18.028 -20.984 1.00 124.72 ? 73  ARG   A NH1 1 
ATOM   213  N NH2 . ARG   A 1 30  ? -5.915  -18.427 -23.211 1.00 99.42  ? 73  ARG   A NH2 1 
ATOM   214  N N   . LEU   A 1 31  ? -2.389  -11.858 -18.043 1.00 72.87  ? 74  LEU   A N   1 
ATOM   215  C CA  . LEU   A 1 31  ? -1.602  -10.963 -17.161 1.00 73.94  ? 74  LEU   A CA  1 
ATOM   216  C C   . LEU   A 1 31  ? -1.704  -11.466 -15.719 1.00 70.79  ? 74  LEU   A C   1 
ATOM   217  O O   . LEU   A 1 31  ? -2.824  -11.753 -15.275 1.00 66.67  ? 74  LEU   A O   1 
ATOM   218  C CB  . LEU   A 1 31  ? -2.138  -9.536  -17.312 1.00 78.74  ? 74  LEU   A CB  1 
ATOM   219  C CG  . LEU   A 1 31  ? -1.757  -8.809  -18.602 1.00 82.20  ? 74  LEU   A CG  1 
ATOM   220  C CD1 . LEU   A 1 31  ? -2.184  -7.344  -18.551 1.00 77.78  ? 74  LEU   A CD1 1 
ATOM   221  C CD2 . LEU   A 1 31  ? -0.257  -8.905  -18.879 1.00 81.53  ? 74  LEU   A CD2 1 
ATOM   222  N N   . ASP   A 1 32  ? -0.563  -11.591 -15.036 1.00 70.98  ? 75  ASP   A N   1 
ATOM   223  C CA  . ASP   A 1 32  ? -0.486  -11.915 -13.588 1.00 74.95  ? 75  ASP   A CA  1 
ATOM   224  C C   . ASP   A 1 32  ? -0.634  -10.617 -12.797 1.00 65.00  ? 75  ASP   A C   1 
ATOM   225  O O   . ASP   A 1 32  ? 0.260   -9.740  -12.930 1.00 68.30  ? 75  ASP   A O   1 
ATOM   226  C CB  . ASP   A 1 32  ? 0.832   -12.606 -13.225 1.00 84.20  ? 75  ASP   A CB  1 
ATOM   227  C CG  . ASP   A 1 32  ? 0.837   -14.105 -13.469 1.00 85.99  ? 75  ASP   A CG  1 
ATOM   228  O OD1 . ASP   A 1 32  ? -0.260  -14.688 -13.607 1.00 83.84  ? 75  ASP   A OD1 1 
ATOM   229  O OD2 . ASP   A 1 32  ? 1.940   -14.677 -13.505 1.00 92.64  ? 75  ASP   A OD2 1 
ATOM   230  N N   . VAL   A 1 33  ? -1.703  -10.489 -12.008 1.00 56.71  ? 76  VAL   A N   1 
ATOM   231  C CA  . VAL   A 1 33  ? -2.002  -9.209  -11.299 1.00 62.62  ? 76  VAL   A CA  1 
ATOM   232  C C   . VAL   A 1 33  ? -2.320  -9.504  -9.831  1.00 60.12  ? 76  VAL   A C   1 
ATOM   233  O O   . VAL   A 1 33  ? -2.749  -10.639 -9.507  1.00 61.37  ? 76  VAL   A O   1 
ATOM   234  C CB  . VAL   A 1 33  ? -3.121  -8.403  -11.999 1.00 60.62  ? 76  VAL   A CB  1 
ATOM   235  C CG1 . VAL   A 1 33  ? -2.840  -8.210  -13.478 1.00 62.14  ? 76  VAL   A CG1 1 
ATOM   236  C CG2 . VAL   A 1 33  ? -4.489  -9.039  -11.817 1.00 64.33  ? 76  VAL   A CG2 1 
ATOM   237  N N   . ALA   A 1 34  ? -2.070  -8.511  -8.983  1.00 58.00  ? 77  ALA   A N   1 
ATOM   238  C CA  . ALA   A 1 34  ? -2.496  -8.447  -7.568  1.00 59.97  ? 77  ALA   A CA  1 
ATOM   239  C C   . ALA   A 1 34  ? -3.512  -7.305  -7.439  1.00 56.85  ? 77  ALA   A C   1 
ATOM   240  O O   . ALA   A 1 34  ? -3.380  -6.324  -8.162  1.00 60.74  ? 77  ALA   A O   1 
ATOM   241  C CB  . ALA   A 1 34  ? -1.298  -8.223  -6.680  1.00 57.04  ? 77  ALA   A CB  1 
ATOM   242  N N   . LEU   A 1 35  ? -4.484  -7.446  -6.552  1.00 55.80  ? 78  LEU   A N   1 
ATOM   243  C CA  . LEU   A 1 35  ? -5.486  -6.406  -6.219  1.00 57.51  ? 78  LEU   A CA  1 
ATOM   244  C C   . LEU   A 1 35  ? -5.324  -6.059  -4.733  1.00 61.37  ? 78  LEU   A C   1 
ATOM   245  O O   . LEU   A 1 35  ? -5.522  -6.952  -3.879  1.00 64.52  ? 78  LEU   A O   1 
ATOM   246  C CB  . LEU   A 1 35  ? -6.880  -6.963  -6.541  1.00 56.45  ? 78  LEU   A CB  1 
ATOM   247  C CG  . LEU   A 1 35  ? -8.070  -6.053  -6.206  1.00 56.33  ? 78  LEU   A CG  1 
ATOM   248  C CD1 . LEU   A 1 35  ? -7.982  -4.729  -6.947  1.00 53.56  ? 78  LEU   A CD1 1 
ATOM   249  C CD2 . LEU   A 1 35  ? -9.390  -6.748  -6.511  1.00 52.42  ? 78  LEU   A CD2 1 
ATOM   250  N N   . ASP   A 1 36  ? -4.972  -4.812  -4.428  1.00 59.52  ? 79  ASP   A N   1 
ATOM   251  C CA  . ASP   A 1 36  ? -4.771  -4.342  -3.033  1.00 60.66  ? 79  ASP   A CA  1 
ATOM   252  C C   . ASP   A 1 36  ? -6.124  -3.890  -2.447  1.00 59.46  ? 79  ASP   A C   1 
ATOM   253  O O   . ASP   A 1 36  ? -7.128  -3.848  -3.181  1.00 53.92  ? 79  ASP   A O   1 
ATOM   254  C CB  . ASP   A 1 36  ? -3.679  -3.267  -2.979  1.00 59.09  ? 79  ASP   A CB  1 
ATOM   255  C CG  . ASP   A 1 36  ? -4.105  -1.915  -3.516  1.00 62.72  ? 79  ASP   A CG  1 
ATOM   256  O OD1 . ASP   A 1 36  ? -5.308  -1.748  -3.788  1.00 60.49  ? 79  ASP   A OD1 1 
ATOM   257  O OD2 . ASP   A 1 36  ? -3.223  -1.037  -3.655  1.00 67.02  ? 79  ASP   A OD2 1 
ATOM   258  N N   . GLU   A 1 37  ? -6.114  -3.537  -1.163  1.00 58.77  ? 80  GLU   A N   1 
ATOM   259  C CA  . GLU   A 1 37  ? -7.295  -3.197  -0.337  1.00 59.07  ? 80  GLU   A CA  1 
ATOM   260  C C   . GLU   A 1 37  ? -7.944  -1.910  -0.870  1.00 60.09  ? 80  GLU   A C   1 
ATOM   261  O O   . GLU   A 1 37  ? -9.171  -1.749  -0.677  1.00 58.60  ? 80  GLU   A O   1 
ATOM   262  C CB  . GLU   A 1 37  ? -6.826  -3.106  1.113   1.00 60.42  ? 80  GLU   A CB  1 
ATOM   263  C CG  . GLU   A 1 37  ? -7.950  -2.984  2.125   1.00 70.97  ? 80  GLU   A CG  1 
ATOM   264  C CD  . GLU   A 1 37  ? -7.496  -3.096  3.574   1.00 74.38  ? 80  GLU   A CD  1 
ATOM   265  O OE1 . GLU   A 1 37  ? -7.344  -2.045  4.225   1.00 67.22  ? 80  GLU   A OE1 1 
ATOM   266  O OE2 . GLU   A 1 37  ? -7.293  -4.239  4.048   1.00 82.41  ? 80  GLU   A OE2 1 
ATOM   267  N N   . SER   A 1 38  ? -7.164  -1.057  -1.543  1.00 55.77  ? 81  SER   A N   1 
ATOM   268  C CA  . SER   A 1 38  ? -7.611  0.213   -2.169  1.00 54.84  ? 81  SER   A CA  1 
ATOM   269  C C   . SER   A 1 38  ? -8.233  -0.017  -3.549  1.00 54.96  ? 81  SER   A C   1 
ATOM   270  O O   . SER   A 1 38  ? -8.556  0.997   -4.185  1.00 58.46  ? 81  SER   A O   1 
ATOM   271  C CB  . SER   A 1 38  ? -6.466  1.167   -2.297  1.00 60.09  ? 81  SER   A CB  1 
ATOM   272  O OG  . SER   A 1 38  ? -5.906  1.424   -1.028  1.00 68.47  ? 81  SER   A OG  1 
ATOM   273  N N   . GLY   A 1 39  ? -8.382  -1.265  -4.022  1.00 52.44  ? 82  GLY   A N   1 
ATOM   274  C CA  . GLY   A 1 39  ? -8.998  -1.556  -5.342  1.00 52.52  ? 82  GLY   A CA  1 
ATOM   275  C C   . GLY   A 1 39  ? -8.113  -1.183  -6.538  1.00 51.78  ? 82  GLY   A C   1 
ATOM   276  O O   . GLY   A 1 39  ? -8.651  -1.058  -7.638  1.00 52.45  ? 82  GLY   A O   1 
ATOM   277  N N   . ASP   A 1 40  ? -6.792  -1.067  -6.346  1.00 56.32  ? 83  ASP   A N   1 
ATOM   278  C CA  . ASP   A 1 40  ? -5.786  -0.828  -7.414  1.00 57.03  ? 83  ASP   A CA  1 
ATOM   279  C C   . ASP   A 1 40  ? -5.139  -2.157  -7.803  1.00 57.63  ? 83  ASP   A C   1 
ATOM   280  O O   . ASP   A 1 40  ? -4.568  -2.828  -6.922  1.00 56.22  ? 83  ASP   A O   1 
ATOM   281  C CB  . ASP   A 1 40  ? -4.764  0.223   -6.976  1.00 58.93  ? 83  ASP   A CB  1 
ATOM   282  C CG  . ASP   A 1 40  ? -5.423  1.572   -6.747  1.00 65.14  ? 83  ASP   A CG  1 
ATOM   283  O OD1 . ASP   A 1 40  ? -6.219  1.993   -7.619  1.00 72.41  ? 83  ASP   A OD1 1 
ATOM   284  O OD2 . ASP   A 1 40  ? -5.189  2.164   -5.687  1.00 80.62  ? 83  ASP   A OD2 1 
ATOM   285  N N   . PHE   A 1 41  ? -5.233  -2.502  -9.090  1.00 60.06  ? 84  PHE   A N   1 
ATOM   286  C CA  . PHE   A 1 41  ? -4.542  -3.659  -9.715  1.00 57.98  ? 84  PHE   A CA  1 
ATOM   287  C C   . PHE   A 1 41  ? -3.057  -3.336  -9.893  1.00 61.57  ? 84  PHE   A C   1 
ATOM   288  O O   . PHE   A 1 41  ? -2.717  -2.158  -10.073 1.00 66.52  ? 84  PHE   A O   1 
ATOM   289  C CB  . PHE   A 1 41  ? -5.176  -4.006  -11.058 1.00 52.13  ? 84  PHE   A CB  1 
ATOM   290  C CG  . PHE   A 1 41  ? -6.480  -4.751  -10.945 1.00 55.52  ? 84  PHE   A CG  1 
ATOM   291  C CD1 . PHE   A 1 41  ? -6.499  -6.058  -10.491 1.00 48.23  ? 84  PHE   A CD1 1 
ATOM   292  C CD2 . PHE   A 1 41  ? -7.690  -4.136  -11.267 1.00 55.97  ? 84  PHE   A CD2 1 
ATOM   293  C CE1 . PHE   A 1 41  ? -7.697  -6.746  -10.396 1.00 52.78  ? 84  PHE   A CE1 1 
ATOM   294  C CE2 . PHE   A 1 41  ? -8.887  -4.828  -11.164 1.00 48.00  ? 84  PHE   A CE2 1 
ATOM   295  C CZ  . PHE   A 1 41  ? -8.887  -6.129  -10.729 1.00 51.55  ? 84  PHE   A CZ  1 
ATOM   296  N N   . SER   A 1 42  ? -2.199  -4.356  -9.855  1.00 57.43  ? 85  SER   A N   1 
ATOM   297  C CA  . SER   A 1 42  ? -0.739  -4.216  -10.069 1.00 61.91  ? 85  SER   A CA  1 
ATOM   298  C C   . SER   A 1 42  ? -0.187  -5.476  -10.744 1.00 67.59  ? 85  SER   A C   1 
ATOM   299  O O   . SER   A 1 42  ? -0.727  -6.584  -10.489 1.00 60.16  ? 85  SER   A O   1 
ATOM   300  C CB  . SER   A 1 42  ? -0.037  -3.934  -8.765  1.00 66.72  ? 85  SER   A CB  1 
ATOM   301  O OG  . SER   A 1 42  ? -0.211  -5.010  -7.849  1.00 73.45  ? 85  SER   A OG  1 
ATOM   302  N N   . LEU   A 1 43  ? 0.845   -5.309  -11.576 1.00 76.50  ? 86  LEU   A N   1 
ATOM   303  C CA  . LEU   A 1 43  ? 1.528   -6.438  -12.264 1.00 83.71  ? 86  LEU   A CA  1 
ATOM   304  C C   . LEU   A 1 43  ? 2.434   -7.160  -11.262 1.00 75.40  ? 86  LEU   A C   1 
ATOM   305  O O   . LEU   A 1 43  ? 3.410   -6.551  -10.803 1.00 71.97  ? 86  LEU   A O   1 
ATOM   306  C CB  . LEU   A 1 43  ? 2.311   -5.906  -13.466 1.00 83.26  ? 86  LEU   A CB  1 
ATOM   307  C CG  . LEU   A 1 43  ? 1.433   -5.337  -14.575 1.00 86.50  ? 86  LEU   A CG  1 
ATOM   308  C CD1 . LEU   A 1 43  ? 2.272   -4.637  -15.628 1.00 92.73  ? 86  LEU   A CD1 1 
ATOM   309  C CD2 . LEU   A 1 43  ? 0.582   -6.434  -15.202 1.00 89.30  ? 86  LEU   A CD2 1 
ATOM   310  N N   . VAL   A 1 44  ? 2.045   -8.385  -10.906 1.00 77.74  ? 87  VAL   A N   1 
ATOM   311  C CA  . VAL   A 1 44  ? 2.866   -9.396  -10.175 1.00 86.85  ? 87  VAL   A CA  1 
ATOM   312  C C   . VAL   A 1 44  ? 3.966   -9.872  -11.122 1.00 89.82  ? 87  VAL   A C   1 
ATOM   313  O O   . VAL   A 1 44  ? 3.652   -10.677 -12.021 1.00 102.46 ? 87  VAL   A O   1 
ATOM   314  C CB  . VAL   A 1 44  ? 1.995   -10.583 -9.714  1.00 82.92  ? 87  VAL   A CB  1 
ATOM   315  C CG1 . VAL   A 1 44  ? 2.830   -11.793 -9.297  1.00 79.53  ? 87  VAL   A CG1 1 
ATOM   316  C CG2 . VAL   A 1 44  ? 1.039   -10.160 -8.608  1.00 78.20  ? 87  VAL   A CG2 1 
ATOM   317  N N   . GLU   A 1 45  ? 5.193   -9.390  -10.945 1.00 87.64  ? 88  GLU   A N   1 
ATOM   318  C CA  . GLU   A 1 45  ? 6.325   -9.753  -11.835 1.00 106.09 ? 88  GLU   A CA  1 
ATOM   319  C C   . GLU   A 1 45  ? 7.282   -10.678 -11.067 1.00 114.55 ? 88  GLU   A C   1 
ATOM   320  O O   . GLU   A 1 45  ? 7.076   -11.902 -11.006 1.00 104.80 ? 88  GLU   A O   1 
ATOM   321  C CB  . GLU   A 1 45  ? 6.984   -8.477  -12.359 1.00 110.45 ? 88  GLU   A CB  1 
ATOM   322  C CG  . GLU   A 1 45  ? 6.134   -7.699  -13.355 1.00 111.20 ? 88  GLU   A CG  1 
ATOM   323  C CD  . GLU   A 1 45  ? 6.166   -8.207  -14.789 1.00 106.89 ? 88  GLU   A CD  1 
ATOM   324  O OE1 . GLU   A 1 45  ? 6.035   -9.433  -14.983 1.00 95.02  ? 88  GLU   A OE1 1 
ATOM   325  O OE2 . GLU   A 1 45  ? 6.316   -7.372  -15.711 1.00 101.35 ? 88  GLU   A OE2 1 
ATOM   326  N N   . GLY   B 2 7   ? -36.291 12.037  -11.579 1.00 99.76  ? 16  GLY   B N   1 
ATOM   327  C CA  . GLY   B 2 7   ? -35.434 12.253  -12.788 1.00 98.44  ? 16  GLY   B CA  1 
ATOM   328  C C   . GLY   B 2 7   ? -35.630 11.185  -13.858 1.00 97.38  ? 16  GLY   B C   1 
ATOM   329  O O   . GLY   B 2 7   ? -36.630 10.443  -13.786 1.00 106.84 ? 16  GLY   B O   1 
ATOM   330  N N   . GLU   B 2 8   ? -34.701 11.106  -14.819 1.00 90.73  ? 17  GLU   B N   1 
ATOM   331  C CA  . GLU   B 2 8   ? -34.752 10.166  -15.973 1.00 86.71  ? 17  GLU   B CA  1 
ATOM   332  C C   . GLU   B 2 8   ? -34.384 8.750   -15.496 1.00 82.27  ? 17  GLU   B C   1 
ATOM   333  O O   . GLU   B 2 8   ? -33.221 8.521   -15.105 1.00 76.80  ? 17  GLU   B O   1 
ATOM   334  C CB  . GLU   B 2 8   ? -33.815 10.626  -17.100 1.00 83.96  ? 17  GLU   B CB  1 
ATOM   335  C CG  . GLU   B 2 8   ? -33.996 9.843   -18.398 1.00 77.90  ? 17  GLU   B CG  1 
ATOM   336  C CD  . GLU   B 2 8   ? -33.304 10.427  -19.615 1.00 77.05  ? 17  GLU   B CD  1 
ATOM   337  O OE1 . GLU   B 2 8   ? -32.320 11.171  -19.429 1.00 68.99  ? 17  GLU   B OE1 1 
ATOM   338  O OE2 . GLU   B 2 8   ? -33.773 10.161  -20.754 1.00 89.36  ? 17  GLU   B OE2 1 
ATOM   339  N N   A THR   B 2 9   ? -35.346 7.823   -15.473 0.25 81.51  ? 18  THR   B N   1 
ATOM   340  N N   B THR   B 2 9   ? -35.357 7.837   -15.606 0.25 80.13  ? 18  THR   B N   1 
ATOM   341  N N   C THR   B 2 9   ? -35.346 7.823   -15.473 0.25 81.51  ? 18  THR   B N   1 
ATOM   342  N N   D THR   B 2 9   ? -35.357 7.837   -15.606 0.25 80.13  ? 18  THR   B N   1 
ATOM   343  C CA  A THR   B 2 9   ? -35.100 6.391   -15.144 0.25 81.22  ? 18  THR   B CA  1 
ATOM   344  C CA  B THR   B 2 9   ? -35.314 6.429   -15.131 0.25 78.91  ? 18  THR   B CA  1 
ATOM   345  C CA  C THR   B 2 9   ? -35.100 6.391   -15.144 0.25 81.22  ? 18  THR   B CA  1 
ATOM   346  C CA  D THR   B 2 9   ? -35.314 6.429   -15.131 0.25 78.91  ? 18  THR   B CA  1 
ATOM   347  C C   A THR   B 2 9   ? -35.490 5.521   -16.340 0.25 77.64  ? 18  THR   B C   1 
ATOM   348  C C   B THR   B 2 9   ? -35.348 5.448   -16.310 0.25 76.93  ? 18  THR   B C   1 
ATOM   349  C C   C THR   B 2 9   ? -35.490 5.521   -16.340 0.25 77.64  ? 18  THR   B C   1 
ATOM   350  C C   D THR   B 2 9   ? -35.348 5.448   -16.310 0.25 76.93  ? 18  THR   B C   1 
ATOM   351  O O   A THR   B 2 9   ? -36.245 4.552   -16.148 0.25 78.85  ? 18  THR   B O   1 
ATOM   352  O O   B THR   B 2 9   ? -35.682 4.274   -16.065 0.25 80.03  ? 18  THR   B O   1 
ATOM   353  O O   C THR   B 2 9   ? -36.245 4.552   -16.148 0.25 78.85  ? 18  THR   B O   1 
ATOM   354  O O   D THR   B 2 9   ? -35.682 4.274   -16.065 0.25 80.03  ? 18  THR   B O   1 
ATOM   355  C CB  A THR   B 2 9   ? -35.833 5.952   -13.872 0.25 82.45  ? 18  THR   B CB  1 
ATOM   356  C CB  B THR   B 2 9   ? -36.508 6.132   -14.216 0.25 77.62  ? 18  THR   B CB  1 
ATOM   357  C CB  C THR   B 2 9   ? -35.833 5.952   -13.872 0.25 82.45  ? 18  THR   B CB  1 
ATOM   358  C CB  D THR   B 2 9   ? -36.508 6.132   -14.216 0.25 77.62  ? 18  THR   B CB  1 
ATOM   359  O OG1 A THR   B 2 9   ? -35.316 6.710   -12.778 0.25 86.04  ? 18  THR   B OG1 1 
ATOM   360  O OG1 B THR   B 2 9   ? -37.698 6.489   -14.920 0.25 74.09  ? 18  THR   B OG1 1 
ATOM   361  O OG1 C THR   B 2 9   ? -35.316 6.710   -12.778 0.25 86.04  ? 18  THR   B OG1 1 
ATOM   362  O OG1 D THR   B 2 9   ? -37.698 6.489   -14.920 0.25 74.09  ? 18  THR   B OG1 1 
ATOM   363  C CG2 A THR   B 2 9   ? -35.658 4.476   -13.591 0.25 80.25  ? 18  THR   B CG2 1 
ATOM   364  C CG2 B THR   B 2 9   ? -36.456 6.881   -12.904 0.25 79.66  ? 18  THR   B CG2 1 
ATOM   365  C CG2 C THR   B 2 9   ? -35.658 4.476   -13.591 0.25 80.25  ? 18  THR   B CG2 1 
ATOM   366  C CG2 D THR   B 2 9   ? -36.456 6.881   -12.904 0.25 79.66  ? 18  THR   B CG2 1 
ATOM   367  N N   . THR   B 2 10  ? -35.009 5.890   -17.527 1.00 73.12  ? 19  THR   B N   1 
ATOM   368  C CA  . THR   B 2 10  ? -35.039 5.027   -18.730 1.00 71.04  ? 19  THR   B CA  1 
ATOM   369  C C   . THR   B 2 10  ? -33.766 4.164   -18.669 1.00 67.63  ? 19  THR   B C   1 
ATOM   370  O O   . THR   B 2 10  ? -32.677 4.728   -18.385 1.00 57.58  ? 19  THR   B O   1 
ATOM   371  C CB  . THR   B 2 10  ? -35.151 5.835   -20.033 1.00 73.07  ? 19  THR   B CB  1 
ATOM   372  O OG1 . THR   B 2 10  ? -36.132 6.870   -19.931 1.00 77.05  ? 19  THR   B OG1 1 
ATOM   373  C CG2 . THR   B 2 10  ? -35.520 4.960   -21.213 1.00 71.32  ? 19  THR   B CG2 1 
ATOM   374  N N   . ASP   B 2 11  ? -33.893 2.853   -18.900 1.00 54.90  ? 20  ASP   B N   1 
ATOM   375  C CA  . ASP   B 2 11  ? -32.731 1.949   -19.082 1.00 59.55  ? 20  ASP   B CA  1 
ATOM   376  C C   . ASP   B 2 11  ? -31.803 2.538   -20.140 1.00 60.98  ? 20  ASP   B C   1 
ATOM   377  O O   . ASP   B 2 11  ? -32.311 3.232   -21.043 1.00 63.59  ? 20  ASP   B O   1 
ATOM   378  C CB  . ASP   B 2 11  ? -33.149 0.537   -19.487 1.00 61.67  ? 20  ASP   B CB  1 
ATOM   379  C CG  . ASP   B 2 11  ? -33.697 -0.274  -18.333 1.00 65.23  ? 20  ASP   B CG  1 
ATOM   380  O OD1 . ASP   B 2 11  ? -33.820 0.292   -17.227 1.00 61.48  ? 20  ASP   B OD1 1 
ATOM   381  O OD2 . ASP   B 2 11  ? -34.004 -1.458  -18.557 1.00 75.30  ? 20  ASP   B OD2 1 
ATOM   382  N N   . GLY   B 2 12  ? -30.500 2.269   -20.016 1.00 56.93  ? 21  GLY   B N   1 
ATOM   383  C CA  . GLY   B 2 12  ? -29.485 2.666   -21.006 1.00 52.16  ? 21  GLY   B CA  1 
ATOM   384  C C   . GLY   B 2 12  ? -28.220 3.137   -20.339 1.00 44.16  ? 21  GLY   B C   1 
ATOM   385  O O   . GLY   B 2 12  ? -28.097 3.006   -19.105 1.00 41.80  ? 21  GLY   B O   1 
ATOM   386  N N   . VAL   B 2 13  ? -27.333 3.724   -21.129 1.00 44.67  ? 22  VAL   B N   1 
ATOM   387  C CA  . VAL   B 2 13  ? -26.035 4.266   -20.645 1.00 48.98  ? 22  VAL   B CA  1 
ATOM   388  C C   . VAL   B 2 13  ? -26.122 5.790   -20.534 1.00 50.03  ? 22  VAL   B C   1 
ATOM   389  O O   . VAL   B 2 13  ? -26.835 6.426   -21.331 1.00 57.19  ? 22  VAL   B O   1 
ATOM   390  C CB  . VAL   B 2 13  ? -24.882 3.790   -21.540 1.00 50.64  ? 22  VAL   B CB  1 
ATOM   391  C CG1 . VAL   B 2 13  ? -25.017 4.304   -22.979 1.00 56.35  ? 22  VAL   B CG1 1 
ATOM   392  C CG2 . VAL   B 2 13  ? -23.533 4.140   -20.944 1.00 50.61  ? 22  VAL   B CG2 1 
ATOM   393  N N   . TYR   B 2 14  ? -25.412 6.343   -19.556 1.00 56.04  ? 23  TYR   B N   1 
ATOM   394  C CA  . TYR   B 2 14  ? -25.458 7.771   -19.161 1.00 49.83  ? 23  TYR   B CA  1 
ATOM   395  C C   . TYR   B 2 14  ? -24.038 8.268   -18.915 1.00 50.04  ? 23  TYR   B C   1 
ATOM   396  O O   . TYR   B 2 14  ? -23.196 7.455   -18.455 1.00 50.86  ? 23  TYR   B O   1 
ATOM   397  C CB  . TYR   B 2 14  ? -26.275 7.929   -17.881 1.00 48.45  ? 23  TYR   B CB  1 
ATOM   398  C CG  . TYR   B 2 14  ? -27.749 7.689   -18.036 1.00 45.22  ? 23  TYR   B CG  1 
ATOM   399  C CD1 . TYR   B 2 14  ? -28.242 6.430   -18.322 1.00 47.50  ? 23  TYR   B CD1 1 
ATOM   400  C CD2 . TYR   B 2 14  ? -28.654 8.725   -17.868 1.00 47.95  ? 23  TYR   B CD2 1 
ATOM   401  C CE1 . TYR   B 2 14  ? -29.602 6.201   -18.454 1.00 45.82  ? 23  TYR   B CE1 1 
ATOM   402  C CE2 . TYR   B 2 14  ? -30.018 8.522   -18.023 1.00 46.69  ? 23  TYR   B CE2 1 
ATOM   403  C CZ  . TYR   B 2 14  ? -30.494 7.255   -18.309 1.00 51.23  ? 23  TYR   B CZ  1 
ATOM   404  O OH  . TYR   B 2 14  ? -31.835 7.047   -18.447 1.00 54.18  ? 23  TYR   B OH  1 
ATOM   405  N N   . ARG   B 2 15  ? -23.806 9.554   -19.175 1.00 50.28  ? 24  ARG   B N   1 
ATOM   406  C CA  . ARG   B 2 15  ? -22.562 10.270  -18.796 1.00 48.24  ? 24  ARG   B CA  1 
ATOM   407  C C   . ARG   B 2 15  ? -22.691 10.786  -17.363 1.00 52.50  ? 24  ARG   B C   1 
ATOM   408  O O   . ARG   B 2 15  ? -23.785 11.210  -16.978 1.00 52.31  ? 24  ARG   B O   1 
ATOM   409  C CB  . ARG   B 2 15  ? -22.295 11.447  -19.731 1.00 47.96  ? 24  ARG   B CB  1 
ATOM   410  C CG  . ARG   B 2 15  ? -22.255 11.094  -21.207 1.00 52.50  ? 24  ARG   B CG  1 
ATOM   411  C CD  . ARG   B 2 15  ? -21.983 12.320  -22.071 1.00 59.37  ? 24  ARG   B CD  1 
ATOM   412  N NE  . ARG   B 2 15  ? -22.155 11.992  -23.486 1.00 61.08  ? 24  ARG   B NE  1 
ATOM   413  C CZ  . ARG   B 2 15  ? -21.184 11.779  -24.368 1.00 57.61  ? 24  ARG   B CZ  1 
ATOM   414  N NH1 . ARG   B 2 15  ? -19.914 11.885  -24.021 1.00 60.87  ? 24  ARG   B NH1 1 
ATOM   415  N NH2 . ARG   B 2 15  ? -21.504 11.445  -25.604 1.00 59.89  ? 24  ARG   B NH2 1 
ATOM   416  N N   . VAL   B 2 16  ? -21.596 10.761  -16.611 1.00 52.22  ? 25  VAL   B N   1 
ATOM   417  C CA  . VAL   B 2 16  ? -21.496 11.323  -15.238 1.00 53.82  ? 25  VAL   B CA  1 
ATOM   418  C C   . VAL   B 2 16  ? -20.636 12.590  -15.332 1.00 54.87  ? 25  VAL   B C   1 
ATOM   419  O O   . VAL   B 2 16  ? -19.415 12.471  -15.616 1.00 51.12  ? 25  VAL   B O   1 
ATOM   420  C CB  . VAL   B 2 16  ? -20.916 10.282  -14.254 1.00 62.78  ? 25  VAL   B CB  1 
ATOM   421  C CG1 . VAL   B 2 16  ? -20.765 10.851  -12.847 1.00 61.57  ? 25  VAL   B CG1 1 
ATOM   422  C CG2 . VAL   B 2 16  ? -21.739 8.995   -14.222 1.00 59.53  ? 25  VAL   B CG2 1 
ATOM   423  N N   . MET   B 2 17  ? -21.263 13.740  -15.082 1.00 56.18  ? 26  MET   B N   1 
ATOM   424  C CA  . MET   B 2 17  ? -20.735 15.108  -15.316 1.00 56.26  ? 26  MET   B CA  1 
ATOM   425  C C   . MET   B 2 17  ? -20.588 15.846  -13.981 1.00 62.06  ? 26  MET   B C   1 
ATOM   426  O O   . MET   B 2 17  ? -21.373 15.571  -13.069 1.00 63.46  ? 26  MET   B O   1 
ATOM   427  C CB  . MET   B 2 17  ? -21.715 15.910  -16.173 1.00 57.31  ? 26  MET   B CB  1 
ATOM   428  C CG  . MET   B 2 17  ? -22.152 15.237  -17.479 1.00 61.48  ? 26  MET   B CG  1 
ATOM   429  S SD  . MET   B 2 17  ? -20.857 15.051  -18.738 1.00 59.50  ? 26  MET   B SD  1 
ATOM   430  C CE  . MET   B 2 17  ? -20.051 16.651  -18.662 1.00 65.20  ? 26  MET   B CE  1 
ATOM   431  N N   . THR   B 2 18  ? -19.649 16.789  -13.910 1.00 63.08  ? 27  THR   B N   1 
ATOM   432  C CA  . THR   B 2 18  ? -19.484 17.761  -12.803 1.00 69.85  ? 27  THR   B CA  1 
ATOM   433  C C   . THR   B 2 18  ? -19.243 19.175  -13.368 1.00 73.07  ? 27  THR   B C   1 
ATOM   434  O O   . THR   B 2 18  ? -18.675 19.305  -14.486 1.00 61.90  ? 27  THR   B O   1 
ATOM   435  C CB  . THR   B 2 18  ? -18.354 17.325  -11.861 1.00 67.64  ? 27  THR   B CB  1 
ATOM   436  O OG1 . THR   B 2 18  ? -18.309 18.276  -10.792 1.00 66.28  ? 27  THR   B OG1 1 
ATOM   437  C CG2 . THR   B 2 18  ? -17.012 17.219  -12.551 1.00 63.41  ? 27  THR   B CG2 1 
ATOM   438  N N   . ARG   B 2 19  ? -19.657 20.194  -12.606 1.00 79.80  ? 28  ARG   B N   1 
ATOM   439  C CA  . ARG   B 2 19  ? -19.440 21.637  -12.907 1.00 83.02  ? 28  ARG   B CA  1 
ATOM   440  C C   . ARG   B 2 19  ? -18.490 22.259  -11.872 1.00 79.51  ? 28  ARG   B C   1 
ATOM   441  O O   . ARG   B 2 19  ? -18.238 23.474  -11.964 1.00 78.11  ? 28  ARG   B O   1 
ATOM   442  C CB  . ARG   B 2 19  ? -20.791 22.356  -12.950 1.00 79.55  ? 28  ARG   B CB  1 
ATOM   443  C CG  . ARG   B 2 19  ? -21.636 21.968  -14.153 1.00 85.20  ? 28  ARG   B CG  1 
ATOM   444  C CD  . ARG   B 2 19  ? -22.379 23.134  -14.783 1.00 91.60  ? 28  ARG   B CD  1 
ATOM   445  N NE  . ARG   B 2 19  ? -23.494 22.684  -15.603 1.00 92.55  ? 28  ARG   B NE  1 
ATOM   446  C CZ  . ARG   B 2 19  ? -24.647 22.215  -15.129 1.00 103.44 ? 28  ARG   B CZ  1 
ATOM   447  N NH1 . ARG   B 2 19  ? -24.853 22.130  -13.822 1.00 114.30 ? 28  ARG   B NH1 1 
ATOM   448  N NH2 . ARG   B 2 19  ? -25.591 21.820  -15.967 1.00 103.70 ? 28  ARG   B NH2 1 
ATOM   449  N N   . ARG   B 2 20  ? -17.952 21.448  -10.956 1.00 78.01  ? 29  ARG   B N   1 
ATOM   450  C CA  . ARG   B 2 20  ? -17.116 21.906  -9.815  1.00 88.12  ? 29  ARG   B CA  1 
ATOM   451  C C   . ARG   B 2 20  ? -15.761 22.377  -10.351 1.00 86.69  ? 29  ARG   B C   1 
ATOM   452  O O   . ARG   B 2 20  ? -15.036 23.063  -9.611  1.00 96.07  ? 29  ARG   B O   1 
ATOM   453  C CB  . ARG   B 2 20  ? -16.949 20.791  -8.777  1.00 93.90  ? 29  ARG   B CB  1 
ATOM   454  C CG  . ARG   B 2 20  ? -16.744 21.298  -7.356  1.00 105.32 ? 29  ARG   B CG  1 
ATOM   455  C CD  . ARG   B 2 20  ? -16.601 20.171  -6.351  1.00 124.72 ? 29  ARG   B CD  1 
ATOM   456  N NE  . ARG   B 2 20  ? -15.569 19.203  -6.721  1.00 140.13 ? 29  ARG   B NE  1 
ATOM   457  C CZ  . ARG   B 2 20  ? -14.289 19.231  -6.332  1.00 150.20 ? 29  ARG   B CZ  1 
ATOM   458  N NH1 . ARG   B 2 20  ? -13.830 20.192  -5.544  1.00 154.10 ? 29  ARG   B NH1 1 
ATOM   459  N NH2 . ARG   B 2 20  ? -13.461 18.284  -6.742  1.00 148.76 ? 29  ARG   B NH2 1 
ATOM   460  N N   . LEU   B 2 21  ? -15.429 21.999  -11.585 1.00 88.86  ? 30  LEU   B N   1 
ATOM   461  C CA  . LEU   B 2 21  ? -14.214 22.461  -12.307 1.00 86.76  ? 30  LEU   B CA  1 
ATOM   462  C C   . LEU   B 2 21  ? -14.637 23.359  -13.472 1.00 82.08  ? 30  LEU   B C   1 
ATOM   463  O O   . LEU   B 2 21  ? -15.851 23.652  -13.597 1.00 89.30  ? 30  LEU   B O   1 
ATOM   464  C CB  . LEU   B 2 21  ? -13.428 21.236  -12.787 1.00 85.27  ? 30  LEU   B CB  1 
ATOM   465  C CG  . LEU   B 2 21  ? -12.445 20.633  -11.784 1.00 91.86  ? 30  LEU   B CG  1 
ATOM   466  C CD1 . LEU   B 2 21  ? -12.930 20.776  -10.348 1.00 95.22  ? 30  LEU   B CD1 1 
ATOM   467  C CD2 . LEU   B 2 21  ? -12.179 19.169  -12.112 1.00 91.09  ? 30  LEU   B CD2 1 
ATOM   468  N N   . LEU   B 2 22  ? -13.661 23.793  -14.271 1.00 80.35  ? 31  LEU   B N   1 
ATOM   469  C CA  . LEU   B 2 22  ? -13.865 24.632  -15.479 1.00 79.41  ? 31  LEU   B CA  1 
ATOM   470  C C   . LEU   B 2 22  ? -14.854 23.930  -16.403 1.00 75.39  ? 31  LEU   B C   1 
ATOM   471  O O   . LEU   B 2 22  ? -14.646 22.724  -16.635 1.00 79.27  ? 31  LEU   B O   1 
ATOM   472  C CB  . LEU   B 2 22  ? -12.521 24.806  -16.184 1.00 77.91  ? 31  LEU   B CB  1 
ATOM   473  C CG  . LEU   B 2 22  ? -12.538 25.807  -17.332 1.00 79.94  ? 31  LEU   B CG  1 
ATOM   474  C CD1 . LEU   B 2 22  ? -12.409 27.233  -16.801 1.00 75.62  ? 31  LEU   B CD1 1 
ATOM   475  C CD2 . LEU   B 2 22  ? -11.438 25.480  -18.336 1.00 80.91  ? 31  LEU   B CD2 1 
ATOM   476  N N   . GLY   B 2 23  ? -15.870 24.647  -16.902 1.00 69.20  ? 32  GLY   B N   1 
ATOM   477  C CA  . GLY   B 2 23  ? -16.917 24.082  -17.783 1.00 62.92  ? 32  GLY   B CA  1 
ATOM   478  C C   . GLY   B 2 23  ? -17.643 22.901  -17.147 1.00 56.79  ? 32  GLY   B C   1 
ATOM   479  O O   . GLY   B 2 23  ? -17.655 22.791  -15.902 1.00 63.45  ? 32  GLY   B O   1 
ATOM   480  N N   . SER   B 2 24  ? -18.271 22.072  -17.975 1.00 60.01  ? 33  SER   B N   1 
ATOM   481  C CA  . SER   B 2 24  ? -18.904 20.782  -17.592 1.00 63.24  ? 33  SER   B CA  1 
ATOM   482  C C   . SER   B 2 24  ? -17.973 19.625  -17.981 1.00 63.91  ? 33  SER   B C   1 
ATOM   483  O O   . SER   B 2 24  ? -17.711 19.481  -19.180 1.00 59.86  ? 33  SER   B O   1 
ATOM   484  C CB  . SER   B 2 24  ? -20.245 20.669  -18.234 1.00 63.18  ? 33  SER   B CB  1 
ATOM   485  O OG  . SER   B 2 24  ? -21.076 21.749  -17.807 1.00 71.11  ? 33  SER   B OG  1 
ATOM   486  N N   . THR   B 2 25  ? -17.470 18.859  -17.007 1.00 60.21  ? 34  THR   B N   1 
ATOM   487  C CA  . THR   B 2 25  ? -16.411 17.829  -17.200 1.00 63.92  ? 34  THR   B CA  1 
ATOM   488  C C   . THR   B 2 25  ? -17.017 16.435  -17.024 1.00 65.57  ? 34  THR   B C   1 
ATOM   489  O O   . THR   B 2 25  ? -17.704 16.237  -16.014 1.00 71.58  ? 34  THR   B O   1 
ATOM   490  C CB  . THR   B 2 25  ? -15.252 18.025  -16.216 1.00 67.04  ? 34  THR   B CB  1 
ATOM   491  O OG1 . THR   B 2 25  ? -14.750 19.364  -16.287 1.00 65.95  ? 34  THR   B OG1 1 
ATOM   492  C CG2 . THR   B 2 25  ? -14.116 17.059  -16.472 1.00 65.02  ? 34  THR   B CG2 1 
ATOM   493  N N   . GLN   B 2 26  ? -16.777 15.509  -17.957 1.00 59.57  ? 35  GLN   B N   1 
ATOM   494  C CA  . GLN   B 2 26  ? -17.271 14.111  -17.835 1.00 61.16  ? 35  GLN   B CA  1 
ATOM   495  C C   . GLN   B 2 26  ? -16.272 13.278  -17.017 1.00 64.50  ? 35  GLN   B C   1 
ATOM   496  O O   . GLN   B 2 26  ? -15.212 12.927  -17.568 1.00 70.60  ? 35  GLN   B O   1 
ATOM   497  C CB  . GLN   B 2 26  ? -17.470 13.455  -19.196 1.00 58.72  ? 35  GLN   B CB  1 
ATOM   498  C CG  . GLN   B 2 26  ? -17.946 12.013  -19.081 1.00 62.27  ? 35  GLN   B CG  1 
ATOM   499  C CD  . GLN   B 2 26  ? -18.275 11.368  -20.402 1.00 55.97  ? 35  GLN   B CD  1 
ATOM   500  O OE1 . GLN   B 2 26  ? -18.926 11.950  -21.259 1.00 63.27  ? 35  GLN   B OE1 1 
ATOM   501  N NE2 . GLN   B 2 26  ? -17.867 10.125  -20.558 1.00 59.34  ? 35  GLN   B NE2 1 
ATOM   502  N N   . VAL   B 2 27  ? -16.623 12.923  -15.778 1.00 59.00  ? 36  VAL   B N   1 
ATOM   503  C CA  . VAL   B 2 27  ? -15.730 12.164  -14.847 1.00 57.79  ? 36  VAL   B CA  1 
ATOM   504  C C   . VAL   B 2 27  ? -15.935 10.655  -15.050 1.00 50.71  ? 36  VAL   B C   1 
ATOM   505  O O   . VAL   B 2 27  ? -15.093 9.887   -14.609 1.00 52.44  ? 36  VAL   B O   1 
ATOM   506  C CB  . VAL   B 2 27  ? -15.949 12.594  -13.378 1.00 63.98  ? 36  VAL   B CB  1 
ATOM   507  C CG1 . VAL   B 2 27  ? -15.531 14.039  -13.155 1.00 66.03  ? 36  VAL   B CG1 1 
ATOM   508  C CG2 . VAL   B 2 27  ? -17.383 12.396  -12.907 1.00 60.87  ? 36  VAL   B CG2 1 
ATOM   509  N N   . GLY   B 2 28  ? -17.026 10.236  -15.685 1.00 52.74  ? 37  GLY   B N   1 
ATOM   510  C CA  . GLY   B 2 28  ? -17.271 8.810   -15.952 1.00 48.24  ? 37  GLY   B CA  1 
ATOM   511  C C   . GLY   B 2 28  ? -18.601 8.566   -16.636 1.00 47.49  ? 37  GLY   B C   1 
ATOM   512  O O   . GLY   B 2 28  ? -19.208 9.543   -17.105 1.00 51.76  ? 37  GLY   B O   1 
ATOM   513  N N   . VAL   B 2 29  ? -19.014 7.293   -16.636 1.00 42.23  ? 38  VAL   B N   1 
ATOM   514  C CA  . VAL   B 2 29  ? -20.152 6.659   -17.370 1.00 41.48  ? 38  VAL   B CA  1 
ATOM   515  C C   . VAL   B 2 29  ? -20.841 5.712   -16.390 1.00 40.38  ? 38  VAL   B C   1 
ATOM   516  O O   . VAL   B 2 29  ? -20.222 5.359   -15.416 1.00 43.36  ? 38  VAL   B O   1 
ATOM   517  C CB  . VAL   B 2 29  ? -19.649 5.891   -18.606 1.00 43.18  ? 38  VAL   B CB  1 
ATOM   518  C CG1 . VAL   B 2 29  ? -20.753 5.178   -19.373 1.00 45.68  ? 38  VAL   B CG1 1 
ATOM   519  C CG2 . VAL   B 2 29  ? -18.842 6.780   -19.539 1.00 43.36  ? 38  VAL   B CG2 1 
ATOM   520  N N   . GLY   B 2 30  ? -22.081 5.310   -16.659 1.00 43.21  ? 39  GLY   B N   1 
ATOM   521  C CA  . GLY   B 2 30  ? -22.819 4.368   -15.806 1.00 38.56  ? 39  GLY   B CA  1 
ATOM   522  C C   . GLY   B 2 30  ? -23.965 3.760   -16.560 1.00 37.15  ? 39  GLY   B C   1 
ATOM   523  O O   . GLY   B 2 30  ? -24.197 4.205   -17.688 1.00 44.48  ? 39  GLY   B O   1 
ATOM   524  N N   . VAL   B 2 31  ? -24.638 2.778   -15.953 1.00 43.27  ? 40  VAL   B N   1 
ATOM   525  C CA  . VAL   B 2 31  ? -25.754 1.991   -16.559 1.00 42.61  ? 40  VAL   B CA  1 
ATOM   526  C C   . VAL   B 2 31  ? -26.980 2.127   -15.672 1.00 46.52  ? 40  VAL   B C   1 
ATOM   527  O O   . VAL   B 2 31  ? -26.842 1.832   -14.447 1.00 44.30  ? 40  VAL   B O   1 
ATOM   528  C CB  . VAL   B 2 31  ? -25.429 0.494   -16.691 1.00 50.48  ? 40  VAL   B CB  1 
ATOM   529  C CG1 . VAL   B 2 31  ? -26.622 -0.294  -17.213 1.00 49.20  ? 40  VAL   B CG1 1 
ATOM   530  C CG2 . VAL   B 2 31  ? -24.211 0.266   -17.554 1.00 52.65  ? 40  VAL   B CG2 1 
ATOM   531  N N   . MET   B 2 32  ? -28.108 2.541   -16.263 1.00 42.20  ? 41  MET   B N   1 
ATOM   532  C CA  . MET   B 2 32  ? -29.441 2.496   -15.628 1.00 44.79  ? 41  MET   B CA  1 
ATOM   533  C C   . MET   B 2 32  ? -30.108 1.187   -16.049 1.00 40.55  ? 41  MET   B C   1 
ATOM   534  O O   . MET   B 2 32  ? -30.243 0.966   -17.251 1.00 44.94  ? 41  MET   B O   1 
ATOM   535  C CB  . MET   B 2 32  ? -30.309 3.683   -16.077 1.00 51.95  ? 41  MET   B CB  1 
ATOM   536  C CG  . MET   B 2 32  ? -31.566 3.882   -15.227 1.00 51.72  ? 41  MET   B CG  1 
ATOM   537  S SD  . MET   B 2 32  ? -31.199 4.433   -13.530 1.00 56.74  ? 41  MET   B SD  1 
ATOM   538  C CE  . MET   B 2 32  ? -30.449 6.025   -13.873 1.00 54.54  ? 41  MET   B CE  1 
ATOM   539  N N   . GLN   B 2 33  ? -30.538 0.364   -15.101 1.00 45.90  ? 42  GLN   B N   1 
ATOM   540  C CA  . GLN   B 2 33  ? -31.288 -0.889  -15.389 1.00 50.57  ? 42  GLN   B CA  1 
ATOM   541  C C   . GLN   B 2 33  ? -32.205 -1.179  -14.210 1.00 50.27  ? 42  GLN   B C   1 
ATOM   542  O O   . GLN   B 2 33  ? -31.770 -0.992  -13.063 1.00 56.59  ? 42  GLN   B O   1 
ATOM   543  C CB  . GLN   B 2 33  ? -30.335 -2.069  -15.634 1.00 52.21  ? 42  GLN   B CB  1 
ATOM   544  C CG  . GLN   B 2 33  ? -31.064 -3.353  -16.018 1.00 52.58  ? 42  GLN   B CG  1 
ATOM   545  C CD  . GLN   B 2 33  ? -30.138 -4.446  -16.501 1.00 62.25  ? 42  GLN   B CD  1 
ATOM   546  O OE1 . GLN   B 2 33  ? -30.241 -5.601  -16.083 1.00 63.52  ? 42  GLN   B OE1 1 
ATOM   547  N NE2 . GLN   B 2 33  ? -29.209 -4.088  -17.375 1.00 60.57  ? 42  GLN   B NE2 1 
ATOM   548  N N   . GLU   B 2 34  ? -33.434 -1.606  -14.473 1.00 57.56  ? 43  GLU   B N   1 
ATOM   549  C CA  . GLU   B 2 34  ? -34.421 -1.906  -13.403 1.00 54.84  ? 43  GLU   B CA  1 
ATOM   550  C C   . GLU   B 2 34  ? -34.427 -0.785  -12.356 1.00 53.15  ? 43  GLU   B C   1 
ATOM   551  O O   . GLU   B 2 34  ? -34.513 -1.092  -11.174 1.00 51.18  ? 43  GLU   B O   1 
ATOM   552  C CB  . GLU   B 2 34  ? -34.078 -3.257  -12.779 1.00 64.12  ? 43  GLU   B CB  1 
ATOM   553  C CG  . GLU   B 2 34  ? -34.293 -4.426  -13.726 1.00 65.90  ? 43  GLU   B CG  1 
ATOM   554  C CD  . GLU   B 2 34  ? -33.458 -5.665  -13.442 1.00 68.18  ? 43  GLU   B CD  1 
ATOM   555  O OE1 . GLU   B 2 34  ? -33.703 -6.320  -12.421 1.00 70.05  ? 43  GLU   B OE1 1 
ATOM   556  O OE2 . GLU   B 2 34  ? -32.559 -5.963  -14.245 1.00 73.75  ? 43  GLU   B OE2 1 
ATOM   557  N N   . GLY   B 2 35  ? -34.316 0.484   -12.755 1.00 52.49  ? 44  GLY   B N   1 
ATOM   558  C CA  . GLY   B 2 35  ? -34.455 1.610   -11.809 1.00 50.83  ? 44  GLY   B CA  1 
ATOM   559  C C   . GLY   B 2 35  ? -33.205 1.854   -10.984 1.00 56.07  ? 44  GLY   B C   1 
ATOM   560  O O   . GLY   B 2 35  ? -33.203 2.808   -10.180 1.00 58.02  ? 44  GLY   B O   1 
ATOM   561  N N   . VAL   B 2 36  ? -32.166 1.034   -11.162 1.00 55.25  ? 45  VAL   B N   1 
ATOM   562  C CA  . VAL   B 2 36  ? -30.864 1.156   -10.447 1.00 47.12  ? 45  VAL   B CA  1 
ATOM   563  C C   . VAL   B 2 36  ? -29.837 1.710   -11.423 1.00 46.11  ? 45  VAL   B C   1 
ATOM   564  O O   . VAL   B 2 36  ? -29.758 1.188   -12.571 1.00 49.07  ? 45  VAL   B O   1 
ATOM   565  C CB  . VAL   B 2 36  ? -30.400 -0.183  -9.832  1.00 52.10  ? 45  VAL   B CB  1 
ATOM   566  C CG1 . VAL   B 2 36  ? -28.968 -0.118  -9.291  1.00 50.77  ? 45  VAL   B CG1 1 
ATOM   567  C CG2 . VAL   B 2 36  ? -31.343 -0.626  -8.727  1.00 51.23  ? 45  VAL   B CG2 1 
ATOM   568  N N   . PHE   B 2 37  ? -29.070 2.704   -10.961 1.00 46.53  ? 46  PHE   B N   1 
ATOM   569  C CA  . PHE   B 2 37  ? -27.885 3.257   -11.647 1.00 43.80  ? 46  PHE   B CA  1 
ATOM   570  C C   . PHE   B 2 37  ? -26.609 2.596   -11.102 1.00 38.59  ? 46  PHE   B C   1 
ATOM   571  O O   . PHE   B 2 37  ? -26.415 2.572   -9.880  1.00 40.96  ? 46  PHE   B O   1 
ATOM   572  C CB  . PHE   B 2 37  ? -27.818 4.766   -11.456 1.00 43.44  ? 46  PHE   B CB  1 
ATOM   573  C CG  . PHE   B 2 37  ? -26.828 5.400   -12.392 1.00 44.41  ? 46  PHE   B CG  1 
ATOM   574  C CD1 . PHE   B 2 37  ? -26.981 5.284   -13.765 1.00 46.28  ? 46  PHE   B CD1 1 
ATOM   575  C CD2 . PHE   B 2 37  ? -25.712 6.044   -11.901 1.00 46.21  ? 46  PHE   B CD2 1 
ATOM   576  C CE1 . PHE   B 2 37  ? -26.071 5.859   -14.633 1.00 49.93  ? 46  PHE   B CE1 1 
ATOM   577  C CE2 . PHE   B 2 37  ? -24.785 6.592   -12.771 1.00 46.37  ? 46  PHE   B CE2 1 
ATOM   578  C CZ  . PHE   B 2 37  ? -24.978 6.521   -14.130 1.00 45.64  ? 46  PHE   B CZ  1 
ATOM   579  N N   . HIS   B 2 38  ? -25.762 2.099   -11.997 1.00 42.28  ? 47  HIS   B N   1 
ATOM   580  C CA  . HIS   B 2 38  ? -24.531 1.324   -11.678 1.00 42.02  ? 47  HIS   B CA  1 
ATOM   581  C C   . HIS   B 2 38  ? -23.299 2.056   -12.219 1.00 38.40  ? 47  HIS   B C   1 
ATOM   582  O O   . HIS   B 2 38  ? -23.287 2.375   -13.411 1.00 38.08  ? 47  HIS   B O   1 
ATOM   583  C CB  . HIS   B 2 38  ? -24.607 -0.036  -12.339 1.00 38.81  ? 47  HIS   B CB  1 
ATOM   584  C CG  . HIS   B 2 38  ? -25.839 -0.813  -12.045 1.00 39.74  ? 47  HIS   B CG  1 
ATOM   585  N ND1 . HIS   B 2 38  ? -27.036 -0.555  -12.675 1.00 44.91  ? 47  HIS   B ND1 1 
ATOM   586  C CD2 . HIS   B 2 38  ? -26.043 -1.882  -11.244 1.00 43.77  ? 47  HIS   B CD2 1 
ATOM   587  C CE1 . HIS   B 2 38  ? -27.943 -1.425  -12.256 1.00 46.14  ? 47  HIS   B CE1 1 
ATOM   588  N NE2 . HIS   B 2 38  ? -27.361 -2.245  -11.362 1.00 46.32  ? 47  HIS   B NE2 1 
ATOM   589  N N   . THR   B 2 39  ? -22.298 2.317   -11.394 1.00 40.29  ? 48  THR   B N   1 
ATOM   590  C CA  . THR   B 2 39  ? -21.045 2.931   -11.902 1.00 44.60  ? 48  THR   B CA  1 
ATOM   591  C C   . THR   B 2 39  ? -19.857 2.368   -11.114 1.00 44.94  ? 48  THR   B C   1 
ATOM   592  O O   . THR   B 2 39  ? -20.042 1.414   -10.332 1.00 41.28  ? 48  THR   B O   1 
ATOM   593  C CB  . THR   B 2 39  ? -21.168 4.463   -11.910 1.00 42.77  ? 48  THR   B CB  1 
ATOM   594  O OG1 . THR   B 2 39  ? -20.153 5.042   -12.725 1.00 45.97  ? 48  THR   B OG1 1 
ATOM   595  C CG2 . THR   B 2 39  ? -21.079 5.079   -10.536 1.00 47.81  ? 48  THR   B CG2 1 
ATOM   596  N N   . MET   B 2 40  ? -18.694 2.983   -11.298 1.00 50.99  ? 49  MET   B N   1 
ATOM   597  C CA  . MET   B 2 40  ? -17.440 2.648   -10.585 1.00 48.58  ? 49  MET   B CA  1 
ATOM   598  C C   . MET   B 2 40  ? -17.219 3.662   -9.457  1.00 50.39  ? 49  MET   B C   1 
ATOM   599  O O   . MET   B 2 40  ? -17.390 4.876   -9.691  1.00 51.10  ? 49  MET   B O   1 
ATOM   600  C CB  . MET   B 2 40  ? -16.270 2.703   -11.572 1.00 51.62  ? 49  MET   B CB  1 
ATOM   601  C CG  . MET   B 2 40  ? -16.513 1.874   -12.836 1.00 52.22  ? 49  MET   B CG  1 
ATOM   602  S SD  . MET   B 2 40  ? -15.064 0.884   -13.283 1.00 60.99  ? 49  MET   B SD  1 
ATOM   603  C CE  . MET   B 2 40  ? -15.356 -0.611  -12.344 1.00 58.17  ? 49  MET   B CE  1 
ATOM   604  N N   A TRP   B 2 41  ? -16.841 3.166   -8.273  0.25 48.14  ? 50  TRP   B N   1 
ATOM   605  N N   B TRP   B 2 41  ? -16.838 3.180   -8.270  0.23 48.83  ? 50  TRP   B N   1 
ATOM   606  N N   C TRP   B 2 41  ? -16.841 3.167   -8.272  0.25 48.14  ? 50  TRP   B N   1 
ATOM   607  N N   D TRP   B 2 41  ? -16.837 3.181   -8.270  0.25 48.78  ? 50  TRP   B N   1 
ATOM   608  C CA  A TRP   B 2 41  ? -16.648 3.955   -7.026  0.25 47.08  ? 50  TRP   B CA  1 
ATOM   609  C CA  B TRP   B 2 41  ? -16.692 4.003   -7.040  0.23 48.25  ? 50  TRP   B CA  1 
ATOM   610  C CA  C TRP   B 2 41  ? -16.648 3.956   -7.025  0.25 47.08  ? 50  TRP   B CA  1 
ATOM   611  C CA  D TRP   B 2 41  ? -16.692 4.003   -7.039  0.25 48.18  ? 50  TRP   B CA  1 
ATOM   612  C C   A TRP   B 2 41  ? -15.726 5.152   -7.297  0.25 49.18  ? 50  TRP   B C   1 
ATOM   613  C C   B TRP   B 2 41  ? -15.717 5.165   -7.284  0.23 49.69  ? 50  TRP   B C   1 
ATOM   614  C C   C TRP   B 2 41  ? -15.724 5.152   -7.293  0.25 49.19  ? 50  TRP   B C   1 
ATOM   615  C C   D TRP   B 2 41  ? -15.715 5.163   -7.280  0.25 49.73  ? 50  TRP   B C   1 
ATOM   616  O O   A TRP   B 2 41  ? -16.041 6.259   -6.821  0.25 47.62  ? 50  TRP   B O   1 
ATOM   617  O O   B TRP   B 2 41  ? -15.984 6.267   -6.769  0.23 47.94  ? 50  TRP   B O   1 
ATOM   618  O O   C TRP   B 2 41  ? -16.036 6.258   -6.815  0.25 47.62  ? 50  TRP   B O   1 
ATOM   619  O O   D TRP   B 2 41  ? -15.978 6.264   -6.761  0.25 47.87  ? 50  TRP   B O   1 
ATOM   620  C CB  A TRP   B 2 41  ? -16.104 3.073   -5.891  0.25 46.14  ? 50  TRP   B CB  1 
ATOM   621  C CB  B TRP   B 2 41  ? -16.265 3.149   -5.838  0.23 47.97  ? 50  TRP   B CB  1 
ATOM   622  C CB  C TRP   B 2 41  ? -16.105 3.073   -5.892  0.25 46.14  ? 50  TRP   B CB  1 
ATOM   623  C CB  D TRP   B 2 41  ? -16.266 3.148   -5.838  0.25 47.89  ? 50  TRP   B CB  1 
ATOM   624  C CG  A TRP   B 2 41  ? -16.227 3.702   -4.537  0.25 45.71  ? 50  TRP   B CG  1 
ATOM   625  C CG  B TRP   B 2 41  ? -16.134 3.952   -4.580  0.23 48.46  ? 50  TRP   B CG  1 
ATOM   626  C CG  C TRP   B 2 41  ? -16.227 3.701   -4.538  0.25 45.71  ? 50  TRP   B CG  1 
ATOM   627  C CG  D TRP   B 2 41  ? -16.134 3.951   -4.582  0.25 48.43  ? 50  TRP   B CG  1 
ATOM   628  C CD1 A TRP   B 2 41  ? -17.205 3.473   -3.615  0.25 45.42  ? 50  TRP   B CD1 1 
ATOM   629  C CD1 B TRP   B 2 41  ? -15.057 4.696   -4.195  0.23 47.59  ? 50  TRP   B CD1 1 
ATOM   630  C CD1 C TRP   B 2 41  ? -17.205 3.473   -3.616  0.25 45.42  ? 50  TRP   B CD1 1 
ATOM   631  C CD1 D TRP   B 2 41  ? -15.056 4.696   -4.197  0.25 47.52  ? 50  TRP   B CD1 1 
ATOM   632  C CD2 A TRP   B 2 41  ? -15.360 4.695   -3.959  0.25 45.79  ? 50  TRP   B CD2 1 
ATOM   633  C CD2 B TRP   B 2 41  ? -17.135 4.145   -3.565  0.23 49.08  ? 50  TRP   B CD2 1 
ATOM   634  C CD2 C TRP   B 2 41  ? -15.360 4.696   -3.961  0.25 45.79  ? 50  TRP   B CD2 1 
ATOM   635  C CD2 D TRP   B 2 41  ? -17.135 4.144   -3.566  0.25 49.06  ? 50  TRP   B CD2 1 
ATOM   636  N NE1 A TRP   B 2 41  ? -17.001 4.242   -2.502  0.25 46.86  ? 50  TRP   B NE1 1 
ATOM   637  N NE1 B TRP   B 2 41  ? -15.310 5.325   -3.008  0.23 47.03  ? 50  TRP   B NE1 1 
ATOM   638  N NE1 C TRP   B 2 41  ? -17.000 4.243   -2.503  0.25 46.86  ? 50  TRP   B NE1 1 
ATOM   639  N NE1 D TRP   B 2 41  ? -15.310 5.323   -3.009  0.25 46.89  ? 50  TRP   B NE1 1 
ATOM   640  C CE2 A TRP   B 2 41  ? -15.881 5.009   -2.686  0.25 46.63  ? 50  TRP   B CE2 1 
ATOM   641  C CE2 B TRP   B 2 41  ? -16.575 5.002   -2.594  0.23 49.21  ? 50  TRP   B CE2 1 
ATOM   642  C CE2 C TRP   B 2 41  ? -15.880 5.009   -2.688  0.25 46.63  ? 50  TRP   B CE2 1 
ATOM   643  C CE2 D TRP   B 2 41  ? -16.575 5.001   -2.595  0.25 49.22  ? 50  TRP   B CE2 1 
ATOM   644  C CE3 A TRP   B 2 41  ? -14.199 5.347   -4.387  0.25 46.04  ? 50  TRP   B CE3 1 
ATOM   645  C CE3 B TRP   B 2 41  ? -18.440 3.675   -3.374  0.23 51.79  ? 50  TRP   B CE3 1 
ATOM   646  C CE3 C TRP   B 2 41  ? -14.199 5.348   -4.390  0.25 46.05  ? 50  TRP   B CE3 1 
ATOM   647  C CE3 D TRP   B 2 41  ? -18.439 3.675   -3.374  0.25 51.95  ? 50  TRP   B CE3 1 
ATOM   648  C CZ2 A TRP   B 2 41  ? -15.275 5.938   -1.841  0.25 48.22  ? 50  TRP   B CZ2 1 
ATOM   649  C CZ2 B TRP   B 2 41  ? -17.272 5.387   -1.449  0.23 49.35  ? 50  TRP   B CZ2 1 
ATOM   650  C CZ2 C TRP   B 2 41  ? -15.274 5.939   -1.843  0.25 48.22  ? 50  TRP   B CZ2 1 
ATOM   651  C CZ2 D TRP   B 2 41  ? -17.272 5.385   -1.450  0.25 49.35  ? 50  TRP   B CZ2 1 
ATOM   652  C CZ3 A TRP   B 2 41  ? -13.600 6.266   -3.552  0.25 46.89  ? 50  TRP   B CZ3 1 
ATOM   653  C CZ3 B TRP   B 2 41  ? -19.129 4.056   -2.241  0.23 51.23  ? 50  TRP   B CZ3 1 
ATOM   654  C CZ3 C TRP   B 2 41  ? -13.601 6.266   -3.555  0.25 46.90  ? 50  TRP   B CZ3 1 
ATOM   655  C CZ3 D TRP   B 2 41  ? -19.127 4.055   -2.242  0.25 51.34  ? 50  TRP   B CZ3 1 
ATOM   656  C CH2 A TRP   B 2 41  ? -14.132 6.556   -2.296  0.25 47.65  ? 50  TRP   B CH2 1 
ATOM   657  C CH2 B TRP   B 2 41  ? -18.552 4.904   -1.294  0.23 50.19  ? 50  TRP   B CH2 1 
ATOM   658  C CH2 C TRP   B 2 41  ? -14.132 6.556   -2.299  0.25 47.65  ? 50  TRP   B CH2 1 
ATOM   659  C CH2 D TRP   B 2 41  ? -18.551 4.902   -1.295  0.25 50.23  ? 50  TRP   B CH2 1 
ATOM   660  N N   . HIS   B 2 42  ? -14.633 4.944   -8.035  1.00 49.15  ? 51  HIS   B N   1 
ATOM   661  C CA  . HIS   B 2 42  ? -13.611 6.012   -8.276  1.00 51.38  ? 51  HIS   B CA  1 
ATOM   662  C C   . HIS   B 2 42  ? -14.217 7.183   -9.088  1.00 49.22  ? 51  HIS   B C   1 
ATOM   663  O O   . HIS   B 2 42  ? -13.619 8.268   -9.080  1.00 49.45  ? 51  HIS   B O   1 
ATOM   664  C CB  . HIS   B 2 42  ? -12.306 5.437   -8.851  1.00 45.41  ? 51  HIS   B CB  1 
ATOM   665  C CG  . HIS   B 2 42  ? -12.326 5.232   -10.324 1.00 43.75  ? 51  HIS   B CG  1 
ATOM   666  N ND1 . HIS   B 2 42  ? -12.544 3.997   -10.889 1.00 48.77  ? 51  HIS   B ND1 1 
ATOM   667  C CD2 . HIS   B 2 42  ? -12.156 6.093   -11.351 1.00 53.17  ? 51  HIS   B CD2 1 
ATOM   668  C CE1 . HIS   B 2 42  ? -12.542 4.111   -12.205 1.00 52.93  ? 51  HIS   B CE1 1 
ATOM   669  N NE2 . HIS   B 2 42  ? -12.305 5.391   -12.512 1.00 46.77  ? 51  HIS   B NE2 1 
ATOM   670  N N   . VAL   B 2 43  ? -15.357 6.994   -9.755  1.00 50.25  ? 52  VAL   B N   1 
ATOM   671  C CA  . VAL   B 2 43  ? -16.048 8.053   -10.555 1.00 51.99  ? 52  VAL   B CA  1 
ATOM   672  C C   . VAL   B 2 43  ? -16.784 9.015   -9.604  1.00 52.86  ? 52  VAL   B C   1 
ATOM   673  O O   . VAL   B 2 43  ? -16.525 10.202  -9.692  1.00 57.96  ? 52  VAL   B O   1 
ATOM   674  C CB  . VAL   B 2 43  ? -16.989 7.410   -11.593 1.00 52.35  ? 52  VAL   B CB  1 
ATOM   675  C CG1 . VAL   B 2 43  ? -17.900 8.416   -12.292 1.00 55.87  ? 52  VAL   B CG1 1 
ATOM   676  C CG2 . VAL   B 2 43  ? -16.221 6.582   -12.618 1.00 51.46  ? 52  VAL   B CG2 1 
ATOM   677  N N   . THR   B 2 44  ? -17.649 8.526   -8.708  1.00 51.93  ? 53  THR   B N   1 
ATOM   678  C CA  . THR   B 2 44  ? -18.555 9.365   -7.864  1.00 49.29  ? 53  THR   B CA  1 
ATOM   679  C C   . THR   B 2 44  ? -18.011 9.563   -6.448  1.00 51.76  ? 53  THR   B C   1 
ATOM   680  O O   . THR   B 2 44  ? -18.462 10.529  -5.785  1.00 52.72  ? 53  THR   B O   1 
ATOM   681  C CB  . THR   B 2 44  ? -19.963 8.762   -7.786  1.00 47.00  ? 53  THR   B CB  1 
ATOM   682  O OG1 . THR   B 2 44  ? -19.881 7.587   -6.993  1.00 44.53  ? 53  THR   B OG1 1 
ATOM   683  C CG2 . THR   B 2 44  ? -20.533 8.404   -9.141  1.00 48.08  ? 53  THR   B CG2 1 
ATOM   684  N N   . LYS   B 2 45  ? -17.115 8.681   -5.986  1.00 49.10  ? 54  LYS   B N   1 
ATOM   685  C CA  . LYS   B 2 45  ? -16.643 8.597   -4.576  1.00 56.92  ? 54  LYS   B CA  1 
ATOM   686  C C   . LYS   B 2 45  ? -17.807 8.368   -3.602  1.00 55.29  ? 54  LYS   B C   1 
ATOM   687  O O   . LYS   B 2 45  ? -17.640 8.657   -2.403  1.00 61.56  ? 54  LYS   B O   1 
ATOM   688  C CB  . LYS   B 2 45  ? -15.905 9.874   -4.159  1.00 65.09  ? 54  LYS   B CB  1 
ATOM   689  C CG  . LYS   B 2 45  ? -14.770 10.300  -5.070  1.00 70.08  ? 54  LYS   B CG  1 
ATOM   690  C CD  . LYS   B 2 45  ? -13.648 9.307   -5.127  1.00 76.39  ? 54  LYS   B CD  1 
ATOM   691  C CE  . LYS   B 2 45  ? -12.408 9.911   -5.755  1.00 90.80  ? 54  LYS   B CE  1 
ATOM   692  N NZ  . LYS   B 2 45  ? -11.981 9.158   -6.960  1.00 95.74  ? 54  LYS   B NZ  1 
ATOM   693  N N   . GLY   B 2 46  ? -18.941 7.863   -4.080  1.00 58.91  ? 55  GLY   B N   1 
ATOM   694  C CA  . GLY   B 2 46  ? -20.128 7.612   -3.249  1.00 57.21  ? 55  GLY   B CA  1 
ATOM   695  C C   . GLY   B 2 46  ? -20.946 8.865   -3.002  1.00 58.17  ? 55  GLY   B C   1 
ATOM   696  O O   . GLY   B 2 46  ? -21.866 8.794   -2.184  1.00 65.87  ? 55  GLY   B O   1 
ATOM   697  N N   . ALA   B 2 47  ? -20.671 9.955   -3.719  1.00 61.92  ? 56  ALA   B N   1 
ATOM   698  C CA  . ALA   B 2 47  ? -21.460 11.211  -3.684  1.00 56.48  ? 56  ALA   B CA  1 
ATOM   699  C C   . ALA   B 2 47  ? -22.819 10.979  -4.351  1.00 56.56  ? 56  ALA   B C   1 
ATOM   700  O O   . ALA   B 2 47  ? -22.885 10.193  -5.297  1.00 59.55  ? 56  ALA   B O   1 
ATOM   701  C CB  . ALA   B 2 47  ? -20.703 12.322  -4.380  1.00 52.90  ? 56  ALA   B CB  1 
ATOM   702  N N   . ALA   B 2 48  ? -23.856 11.691  -3.912  1.00 54.07  ? 57  ALA   B N   1 
ATOM   703  C CA  . ALA   B 2 48  ? -25.180 11.712  -4.570  1.00 55.09  ? 57  ALA   B CA  1 
ATOM   704  C C   . ALA   B 2 48  ? -25.050 12.331  -5.962  1.00 55.09  ? 57  ALA   B C   1 
ATOM   705  O O   . ALA   B 2 48  ? -24.040 12.998  -6.213  1.00 57.71  ? 57  ALA   B O   1 
ATOM   706  C CB  . ALA   B 2 48  ? -26.168 12.461  -3.718  1.00 60.50  ? 57  ALA   B CB  1 
ATOM   707  N N   . LEU   B 2 49  ? -26.057 12.107  -6.809  1.00 54.10  ? 58  LEU   B N   1 
ATOM   708  C CA  . LEU   B 2 49  ? -26.128 12.518  -8.238  1.00 59.04  ? 58  LEU   B CA  1 
ATOM   709  C C   . LEU   B 2 49  ? -27.471 13.203  -8.514  1.00 60.34  ? 58  LEU   B C   1 
ATOM   710  O O   . LEU   B 2 49  ? -28.480 12.839  -7.890  1.00 61.71  ? 58  LEU   B O   1 
ATOM   711  C CB  . LEU   B 2 49  ? -26.034 11.279  -9.137  1.00 55.56  ? 58  LEU   B CB  1 
ATOM   712  C CG  . LEU   B 2 49  ? -24.796 10.396  -8.985  1.00 52.99  ? 58  LEU   B CG  1 
ATOM   713  C CD1 . LEU   B 2 49  ? -24.965 9.131   -9.808  1.00 49.45  ? 58  LEU   B CD1 1 
ATOM   714  C CD2 . LEU   B 2 49  ? -23.528 11.136  -9.384  1.00 51.63  ? 58  LEU   B CD2 1 
ATOM   715  N N   . ARG   B 2 50  ? -27.497 14.084  -9.502  1.00 60.11  ? 59  ARG   B N   1 
ATOM   716  C CA  . ARG   B 2 50  ? -28.734 14.756  -9.961  1.00 64.75  ? 59  ARG   B CA  1 
ATOM   717  C C   . ARG   B 2 50  ? -29.149 14.156  -11.313 1.00 61.68  ? 59  ARG   B C   1 
ATOM   718  O O   . ARG   B 2 50  ? -28.260 13.845  -12.127 1.00 62.69  ? 59  ARG   B O   1 
ATOM   719  C CB  . ARG   B 2 50  ? -28.456 16.260  -9.969  1.00 74.28  ? 59  ARG   B CB  1 
ATOM   720  C CG  . ARG   B 2 50  ? -29.554 17.115  -10.584 1.00 85.82  ? 59  ARG   B CG  1 
ATOM   721  C CD  . ARG   B 2 50  ? -29.343 18.584  -10.261 1.00 85.93  ? 59  ARG   B CD  1 
ATOM   722  N NE  . ARG   B 2 50  ? -27.949 19.005  -10.391 1.00 86.05  ? 59  ARG   B NE  1 
ATOM   723  C CZ  . ARG   B 2 50  ? -27.349 19.350  -11.535 1.00 89.12  ? 59  ARG   B CZ  1 
ATOM   724  N NH1 . ARG   B 2 50  ? -28.002 19.307  -12.688 1.00 82.39  ? 59  ARG   B NH1 1 
ATOM   725  N NH2 . ARG   B 2 50  ? -26.079 19.725  -11.520 1.00 92.30  ? 59  ARG   B NH2 1 
ATOM   726  N N   . SER   B 2 51  ? -30.451 13.947  -11.507 1.00 66.01  ? 60  SER   B N   1 
ATOM   727  C CA  . SER   B 2 51  ? -31.093 13.552  -12.792 1.00 73.30  ? 60  SER   B CA  1 
ATOM   728  C C   . SER   B 2 51  ? -32.272 14.499  -13.098 1.00 76.95  ? 60  SER   B C   1 
ATOM   729  O O   . SER   B 2 51  ? -33.427 14.151  -12.802 1.00 78.22  ? 60  SER   B O   1 
ATOM   730  C CB  . SER   B 2 51  ? -31.525 12.108  -12.733 1.00 68.29  ? 60  SER   B CB  1 
ATOM   731  O OG  . SER   B 2 51  ? -32.075 11.696  -13.971 1.00 69.60  ? 60  SER   B OG  1 
ATOM   732  N N   . GLY   B 2 52  ? -31.992 15.679  -13.650 1.00 85.99  ? 61  GLY   B N   1 
ATOM   733  C CA  . GLY   B 2 52  ? -32.976 16.778  -13.747 1.00 97.05  ? 61  GLY   B CA  1 
ATOM   734  C C   . GLY   B 2 52  ? -33.223 17.411  -12.385 1.00 99.28  ? 61  GLY   B C   1 
ATOM   735  O O   . GLY   B 2 52  ? -32.272 17.998  -11.829 1.00 103.09 ? 61  GLY   B O   1 
ATOM   736  N N   . GLU   B 2 53  ? -34.448 17.295  -11.864 1.00 102.11 ? 62  GLU   B N   1 
ATOM   737  C CA  . GLU   B 2 53  ? -34.815 17.665  -10.467 1.00 105.88 ? 62  GLU   B CA  1 
ATOM   738  C C   . GLU   B 2 53  ? -34.587 16.469  -9.537  1.00 98.83  ? 62  GLU   B C   1 
ATOM   739  O O   . GLU   B 2 53  ? -34.420 16.707  -8.330  1.00 96.53  ? 62  GLU   B O   1 
ATOM   740  C CB  . GLU   B 2 53  ? -36.287 18.059  -10.357 1.00 116.59 ? 62  GLU   B CB  1 
ATOM   741  C CG  . GLU   B 2 53  ? -36.645 19.347  -11.073 1.00 123.98 ? 62  GLU   B CG  1 
ATOM   742  C CD  . GLU   B 2 53  ? -38.085 19.431  -11.563 1.00 129.98 ? 62  GLU   B CD  1 
ATOM   743  O OE1 . GLU   B 2 53  ? -38.849 18.456  -11.377 1.00 135.56 ? 62  GLU   B OE1 1 
ATOM   744  O OE2 . GLU   B 2 53  ? -38.448 20.474  -12.133 1.00 131.56 ? 62  GLU   B OE2 1 
ATOM   745  N N   . GLY   B 2 54  ? -34.632 15.243  -10.078 1.00 95.75  ? 63  GLY   B N   1 
ATOM   746  C CA  . GLY   B 2 54  ? -34.443 13.981  -9.335  1.00 88.34  ? 63  GLY   B CA  1 
ATOM   747  C C   . GLY   B 2 54  ? -33.088 13.932  -8.654  1.00 80.45  ? 63  GLY   B C   1 
ATOM   748  O O   . GLY   B 2 54  ? -32.123 14.467  -9.228  1.00 78.68  ? 63  GLY   B O   1 
ATOM   749  N N   . ARG   B 2 55  ? -33.028 13.333  -7.461  1.00 75.95  ? 64  ARG   B N   1 
ATOM   750  C CA  . ARG   B 2 55  ? -31.772 13.046  -6.715  1.00 71.46  ? 64  ARG   B CA  1 
ATOM   751  C C   . ARG   B 2 55  ? -31.548 11.527  -6.669  1.00 69.20  ? 64  ARG   B C   1 
ATOM   752  O O   . ARG   B 2 55  ? -32.511 10.759  -6.433  1.00 60.17  ? 64  ARG   B O   1 
ATOM   753  C CB  . ARG   B 2 55  ? -31.840 13.617  -5.297  1.00 72.75  ? 64  ARG   B CB  1 
ATOM   754  C CG  . ARG   B 2 55  ? -30.530 13.555  -4.520  1.00 80.12  ? 64  ARG   B CG  1 
ATOM   755  C CD  . ARG   B 2 55  ? -30.751 13.910  -3.056  1.00 86.71  ? 64  ARG   B CD  1 
ATOM   756  N NE  . ARG   B 2 55  ? -29.644 13.538  -2.176  1.00 87.90  ? 64  ARG   B NE  1 
ATOM   757  C CZ  . ARG   B 2 55  ? -28.801 14.377  -1.563  1.00 92.48  ? 64  ARG   B CZ  1 
ATOM   758  N NH1 . ARG   B 2 55  ? -28.903 15.687  -1.722  1.00 94.08  ? 64  ARG   B NH1 1 
ATOM   759  N NH2 . ARG   B 2 55  ? -27.849 13.895  -0.779  1.00 91.52  ? 64  ARG   B NH2 1 
ATOM   760  N N   . LEU   B 2 56  ? -30.309 11.094  -6.877  1.00 61.05  ? 65  LEU   B N   1 
ATOM   761  C CA  . LEU   B 2 56  ? -29.934 9.666   -6.757  1.00 58.68  ? 65  LEU   B CA  1 
ATOM   762  C C   . LEU   B 2 56  ? -29.040 9.535   -5.529  1.00 54.46  ? 65  LEU   B C   1 
ATOM   763  O O   . LEU   B 2 56  ? -27.967 10.191  -5.521  1.00 60.30  ? 65  LEU   B O   1 
ATOM   764  C CB  . LEU   B 2 56  ? -29.201 9.220   -8.026  1.00 59.81  ? 65  LEU   B CB  1 
ATOM   765  C CG  . LEU   B 2 56  ? -30.000 9.206   -9.324  1.00 64.33  ? 65  LEU   B CG  1 
ATOM   766  C CD1 . LEU   B 2 56  ? -29.327 8.305   -10.348 1.00 64.74  ? 65  LEU   B CD1 1 
ATOM   767  C CD2 . LEU   B 2 56  ? -31.428 8.738   -9.086  1.00 69.17  ? 65  LEU   B CD2 1 
ATOM   768  N N   . ASP   B 2 57  ? -29.464 8.747   -4.536  1.00 50.34  ? 66  ASP   B N   1 
ATOM   769  C CA  . ASP   B 2 57  ? -28.648 8.448   -3.327  1.00 51.97  ? 66  ASP   B CA  1 
ATOM   770  C C   . ASP   B 2 57  ? -27.928 7.102   -3.475  1.00 52.89  ? 66  ASP   B C   1 
ATOM   771  O O   . ASP   B 2 57  ? -28.507 6.116   -3.957  1.00 51.56  ? 66  ASP   B O   1 
ATOM   772  C CB  . ASP   B 2 57  ? -29.518 8.486   -2.077  1.00 60.87  ? 66  ASP   B CB  1 
ATOM   773  C CG  . ASP   B 2 57  ? -30.191 9.830   -1.888  1.00 64.75  ? 66  ASP   B CG  1 
ATOM   774  O OD1 . ASP   B 2 57  ? -29.507 10.844  -2.043  1.00 64.91  ? 66  ASP   B OD1 1 
ATOM   775  O OD2 . ASP   B 2 57  ? -31.404 9.843   -1.644  1.00 75.63  ? 66  ASP   B OD2 1 
ATOM   776  N N   . PRO   B 2 58  ? -26.643 6.998   -3.057  1.00 48.83  ? 67  PRO   B N   1 
ATOM   777  C CA  . PRO   B 2 58  ? -25.943 5.710   -3.066  1.00 50.82  ? 67  PRO   B CA  1 
ATOM   778  C C   . PRO   B 2 58  ? -26.729 4.702   -2.214  1.00 54.43  ? 67  PRO   B C   1 
ATOM   779  O O   . PRO   B 2 58  ? -27.349 5.113   -1.225  1.00 60.86  ? 67  PRO   B O   1 
ATOM   780  C CB  . PRO   B 2 58  ? -24.572 6.024   -2.459  1.00 46.73  ? 67  PRO   B CB  1 
ATOM   781  C CG  . PRO   B 2 58  ? -24.835 7.282   -1.646  1.00 46.02  ? 67  PRO   B CG  1 
ATOM   782  C CD  . PRO   B 2 58  ? -25.804 8.070   -2.497  1.00 45.99  ? 67  PRO   B CD  1 
ATOM   783  N N   . TYR   B 2 59  ? -26.715 3.431   -2.610  1.00 44.55  ? 68  TYR   B N   1 
ATOM   784  C CA  . TYR   B 2 59  ? -27.398 2.327   -1.890  1.00 46.44  ? 68  TYR   B CA  1 
ATOM   785  C C   . TYR   B 2 59  ? -26.375 1.272   -1.472  1.00 39.94  ? 68  TYR   B C   1 
ATOM   786  O O   . TYR   B 2 59  ? -26.475 0.785   -0.343  1.00 44.13  ? 68  TYR   B O   1 
ATOM   787  C CB  . TYR   B 2 59  ? -28.512 1.743   -2.760  1.00 45.22  ? 68  TYR   B CB  1 
ATOM   788  C CG  . TYR   B 2 59  ? -29.301 0.597   -2.170  1.00 46.34  ? 68  TYR   B CG  1 
ATOM   789  C CD1 . TYR   B 2 59  ? -28.766 -0.683  -2.118  1.00 46.46  ? 68  TYR   B CD1 1 
ATOM   790  C CD2 . TYR   B 2 59  ? -30.622 0.759   -1.768  1.00 46.68  ? 68  TYR   B CD2 1 
ATOM   791  C CE1 . TYR   B 2 59  ? -29.509 -1.758  -1.645  1.00 49.73  ? 68  TYR   B CE1 1 
ATOM   792  C CE2 . TYR   B 2 59  ? -31.379 -0.306  -1.288  1.00 47.58  ? 68  TYR   B CE2 1 
ATOM   793  C CZ  . TYR   B 2 59  ? -30.817 -1.574  -1.214  1.00 52.67  ? 68  TYR   B CZ  1 
ATOM   794  O OH  . TYR   B 2 59  ? -31.527 -2.649  -0.733  1.00 51.58  ? 68  TYR   B OH  1 
ATOM   795  N N   . TRP   B 2 60  ? -25.480 0.888   -2.376  1.00 42.35  ? 69  TRP   B N   1 
ATOM   796  C CA  . TRP   B 2 60  ? -24.405 -0.108  -2.108  1.00 44.00  ? 69  TRP   B CA  1 
ATOM   797  C C   . TRP   B 2 60  ? -23.094 0.366   -2.747  1.00 39.14  ? 69  TRP   B C   1 
ATOM   798  O O   . TRP   B 2 60  ? -23.129 0.962   -3.839  1.00 44.16  ? 69  TRP   B O   1 
ATOM   799  C CB  . TRP   B 2 60  ? -24.790 -1.505  -2.600  1.00 42.06  ? 69  TRP   B CB  1 
ATOM   800  C CG  . TRP   B 2 60  ? -23.640 -2.460  -2.532  1.00 40.09  ? 69  TRP   B CG  1 
ATOM   801  C CD1 . TRP   B 2 60  ? -23.178 -3.143  -1.443  1.00 45.17  ? 69  TRP   B CD1 1 
ATOM   802  C CD2 . TRP   B 2 60  ? -22.788 -2.835  -3.625  1.00 42.12  ? 69  TRP   B CD2 1 
ATOM   803  N NE1 . TRP   B 2 60  ? -22.078 -3.901  -1.784  1.00 42.24  ? 69  TRP   B NE1 1 
ATOM   804  C CE2 . TRP   B 2 60  ? -21.826 -3.740  -3.119  1.00 43.20  ? 69  TRP   B CE2 1 
ATOM   805  C CE3 . TRP   B 2 60  ? -22.736 -2.482  -4.977  1.00 41.56  ? 69  TRP   B CE3 1 
ATOM   806  C CZ2 . TRP   B 2 60  ? -20.825 -4.281  -3.923  1.00 40.65  ? 69  TRP   B CZ2 1 
ATOM   807  C CZ3 . TRP   B 2 60  ? -21.754 -3.031  -5.772  1.00 44.48  ? 69  TRP   B CZ3 1 
ATOM   808  C CH2 . TRP   B 2 60  ? -20.814 -3.922  -5.253  1.00 43.41  ? 69  TRP   B CH2 1 
ATOM   809  N N   . GLY   B 2 61  ? -21.977 0.078   -2.097  1.00 43.64  ? 70  GLY   B N   1 
ATOM   810  C CA  . GLY   B 2 61  ? -20.667 0.283   -2.727  1.00 48.09  ? 70  GLY   B CA  1 
ATOM   811  C C   . GLY   B 2 61  ? -19.564 -0.446  -2.009  1.00 42.36  ? 70  GLY   B C   1 
ATOM   812  O O   . GLY   B 2 61  ? -19.719 -0.742  -0.805  1.00 46.43  ? 70  GLY   B O   1 
ATOM   813  N N   . ASP   B 2 62  ? -18.456 -0.640  -2.705  1.00 43.31  ? 71  ASP   B N   1 
ATOM   814  C CA  . ASP   B 2 62  ? -17.249 -1.343  -2.190  1.00 42.73  ? 71  ASP   B CA  1 
ATOM   815  C C   . ASP   B 2 62  ? -16.043 -0.775  -2.926  1.00 38.09  ? 71  ASP   B C   1 
ATOM   816  O O   . ASP   B 2 62  ? -15.977 -0.948  -4.146  1.00 42.45  ? 71  ASP   B O   1 
ATOM   817  C CB  . ASP   B 2 62  ? -17.362 -2.845  -2.419  1.00 41.65  ? 71  ASP   B CB  1 
ATOM   818  C CG  . ASP   B 2 62  ? -16.309 -3.646  -1.676  1.00 50.20  ? 71  ASP   B CG  1 
ATOM   819  O OD1 . ASP   B 2 62  ? -15.149 -3.633  -2.094  1.00 55.50  ? 71  ASP   B OD1 1 
ATOM   820  O OD2 . ASP   B 2 62  ? -16.656 -4.228  -0.658  1.00 64.64  ? 71  ASP   B OD2 1 
ATOM   821  N N   . VAL   B 2 63  ? -15.140 -0.120  -2.208  1.00 44.61  ? 72  VAL   B N   1 
ATOM   822  C CA  . VAL   B 2 63  ? -13.915 0.482   -2.807  1.00 47.46  ? 72  VAL   B CA  1 
ATOM   823  C C   . VAL   B 2 63  ? -13.056 -0.636  -3.422  1.00 52.79  ? 72  VAL   B C   1 
ATOM   824  O O   . VAL   B 2 63  ? -12.340 -0.351  -4.406  1.00 55.54  ? 72  VAL   B O   1 
ATOM   825  C CB  . VAL   B 2 63  ? -13.116 1.289   -1.771  1.00 45.76  ? 72  VAL   B CB  1 
ATOM   826  C CG1 . VAL   B 2 63  ? -11.668 1.481   -2.178  1.00 49.77  ? 72  VAL   B CG1 1 
ATOM   827  C CG2 . VAL   B 2 63  ? -13.755 2.637   -1.487  1.00 47.04  ? 72  VAL   B CG2 1 
ATOM   828  N N   . LYS   B 2 64  ? -13.074 -1.858  -2.885  1.00 50.51  ? 73  LYS   B N   1 
ATOM   829  C CA  . LYS   B 2 64  ? -12.104 -2.869  -3.388  1.00 51.25  ? 73  LYS   B CA  1 
ATOM   830  C C   . LYS   B 2 64  ? -12.578 -3.402  -4.748  1.00 53.52  ? 73  LYS   B C   1 
ATOM   831  O O   . LYS   B 2 64  ? -11.718 -3.587  -5.626  1.00 55.26  ? 73  LYS   B O   1 
ATOM   832  C CB  . LYS   B 2 64  ? -11.857 -4.013  -2.413  1.00 47.67  ? 73  LYS   B CB  1 
ATOM   833  C CG  . LYS   B 2 64  ? -10.729 -4.929  -2.891  1.00 52.55  ? 73  LYS   B CG  1 
ATOM   834  C CD  . LYS   B 2 64  ? -10.411 -6.061  -1.960  1.00 51.44  ? 73  LYS   B CD  1 
ATOM   835  C CE  . LYS   B 2 64  ? -9.244  -6.884  -2.451  1.00 60.35  ? 73  LYS   B CE  1 
ATOM   836  N NZ  . LYS   B 2 64  ? -8.930  -7.961  -1.488  1.00 59.29  ? 73  LYS   B NZ  1 
ATOM   837  N N   . GLN   B 2 65  ? -13.889 -3.644  -4.908  1.00 53.27  ? 74  GLN   B N   1 
ATOM   838  C CA  . GLN   B 2 65  ? -14.515 -4.029  -6.200  1.00 52.15  ? 74  GLN   B CA  1 
ATOM   839  C C   . GLN   B 2 65  ? -14.521 -2.818  -7.146  1.00 46.56  ? 74  GLN   B C   1 
ATOM   840  O O   . GLN   B 2 65  ? -14.605 -3.021  -8.380  1.00 50.99  ? 74  GLN   B O   1 
ATOM   841  C CB  . GLN   B 2 65  ? -15.931 -4.568  -5.990  1.00 49.89  ? 74  GLN   B CB  1 
ATOM   842  C CG  . GLN   B 2 65  ? -15.988 -5.822  -5.127  1.00 52.69  ? 74  GLN   B CG  1 
ATOM   843  C CD  . GLN   B 2 65  ? -17.399 -6.360  -5.020  1.00 52.78  ? 74  GLN   B CD  1 
ATOM   844  O OE1 . GLN   B 2 65  ? -18.091 -6.575  -6.021  1.00 60.84  ? 74  GLN   B OE1 1 
ATOM   845  N NE2 . GLN   B 2 65  ? -17.862 -6.529  -3.794  1.00 55.78  ? 74  GLN   B NE2 1 
ATOM   846  N N   . ASP   B 2 66  ? -14.407 -1.621  -6.572  1.00 49.52  ? 75  ASP   B N   1 
ATOM   847  C CA  . ASP   B 2 66  ? -14.497 -0.302  -7.254  1.00 49.65  ? 75  ASP   B CA  1 
ATOM   848  C C   . ASP   B 2 66  ? -15.843 -0.195  -7.947  1.00 41.32  ? 75  ASP   B C   1 
ATOM   849  O O   . ASP   B 2 66  ? -15.833 0.197   -9.139  1.00 42.95  ? 75  ASP   B O   1 
ATOM   850  C CB  . ASP   B 2 66  ? -13.379 -0.108  -8.273  1.00 50.90  ? 75  ASP   B CB  1 
ATOM   851  C CG  . ASP   B 2 66  ? -13.310 1.325   -8.762  1.00 50.69  ? 75  ASP   B CG  1 
ATOM   852  O OD1 . ASP   B 2 66  ? -13.628 2.209   -7.969  1.00 51.42  ? 75  ASP   B OD1 1 
ATOM   853  O OD2 . ASP   B 2 66  ? -12.944 1.529   -9.926  1.00 49.50  ? 75  ASP   B OD2 1 
ATOM   854  N N   . LEU   B 2 67  ? -16.930 -0.582  -7.256  1.00 41.90  ? 76  LEU   B N   1 
ATOM   855  C CA  . LEU   B 2 67  ? -18.329 -0.539  -7.778  1.00 43.34  ? 76  LEU   B CA  1 
ATOM   856  C C   . LEU   B 2 67  ? -19.265 0.235   -6.823  1.00 44.41  ? 76  LEU   B C   1 
ATOM   857  O O   . LEU   B 2 67  ? -18.985 0.311   -5.597  1.00 46.37  ? 76  LEU   B O   1 
ATOM   858  C CB  . LEU   B 2 67  ? -18.825 -1.970  -7.984  1.00 44.53  ? 76  LEU   B CB  1 
ATOM   859  C CG  . LEU   B 2 67  ? -18.199 -2.751  -9.148  1.00 47.95  ? 76  LEU   B CG  1 
ATOM   860  C CD1 . LEU   B 2 67  ? -18.902 -4.104  -9.326  1.00 47.47  ? 76  LEU   B CD1 1 
ATOM   861  C CD2 . LEU   B 2 67  ? -18.236 -1.963  -10.463 1.00 51.17  ? 76  LEU   B CD2 1 
ATOM   862  N N   . VAL   B 2 68  ? -20.379 0.753   -7.345  1.00 45.90  ? 77  VAL   B N   1 
ATOM   863  C CA  . VAL   B 2 68  ? -21.395 1.494   -6.526  1.00 43.37  ? 77  VAL   B CA  1 
ATOM   864  C C   . VAL   B 2 68  ? -22.736 1.480   -7.258  1.00 35.24  ? 77  VAL   B C   1 
ATOM   865  O O   . VAL   B 2 68  ? -22.736 1.655   -8.486  1.00 39.56  ? 77  VAL   B O   1 
ATOM   866  C CB  . VAL   B 2 68  ? -20.909 2.923   -6.220  1.00 45.59  ? 77  VAL   B CB  1 
ATOM   867  C CG1 . VAL   B 2 68  ? -20.762 3.758   -7.485  1.00 46.60  ? 77  VAL   B CG1 1 
ATOM   868  C CG2 . VAL   B 2 68  ? -21.801 3.621   -5.207  1.00 49.91  ? 77  VAL   B CG2 1 
ATOM   869  N N   . SER   B 2 69  ? -23.838 1.238   -6.543  1.00 37.41  ? 78  SER   B N   1 
ATOM   870  C CA  . SER   B 2 69  ? -25.214 1.253   -7.106  1.00 39.66  ? 78  SER   B CA  1 
ATOM   871  C C   . SER   B 2 69  ? -26.008 2.386   -6.437  1.00 37.18  ? 78  SER   B C   1 
ATOM   872  O O   . SER   B 2 69  ? -25.741 2.655   -5.273  1.00 40.13  ? 78  SER   B O   1 
ATOM   873  C CB  . SER   B 2 69  ? -25.902 -0.098  -6.914  1.00 38.24  ? 78  SER   B CB  1 
ATOM   874  O OG  . SER   B 2 69  ? -26.278 -0.265  -5.564  1.00 34.94  ? 78  SER   B OG  1 
ATOM   875  N N   . TYR   B 2 70  ? -26.931 3.020   -7.165  1.00 42.48  ? 79  TYR   B N   1 
ATOM   876  C CA  . TYR   B 2 70  ? -27.781 4.151   -6.697  1.00 40.14  ? 79  TYR   B CA  1 
ATOM   877  C C   . TYR   B 2 70  ? -29.254 3.716   -6.827  1.00 40.70  ? 79  TYR   B C   1 
ATOM   878  O O   . TYR   B 2 70  ? -29.591 3.162   -7.867  1.00 40.01  ? 79  TYR   B O   1 
ATOM   879  C CB  . TYR   B 2 70  ? -27.487 5.427   -7.489  1.00 40.21  ? 79  TYR   B CB  1 
ATOM   880  C CG  . TYR   B 2 70  ? -26.150 6.068   -7.200  1.00 44.96  ? 79  TYR   B CG  1 
ATOM   881  C CD1 . TYR   B 2 70  ? -24.964 5.490   -7.630  1.00 50.72  ? 79  TYR   B CD1 1 
ATOM   882  C CD2 . TYR   B 2 70  ? -26.060 7.256   -6.489  1.00 50.77  ? 79  TYR   B CD2 1 
ATOM   883  C CE1 . TYR   B 2 70  ? -23.730 6.057   -7.334  1.00 50.72  ? 79  TYR   B CE1 1 
ATOM   884  C CE2 . TYR   B 2 70  ? -24.837 7.840   -6.185  1.00 51.09  ? 79  TYR   B CE2 1 
ATOM   885  C CZ  . TYR   B 2 70  ? -23.666 7.240   -6.617  1.00 51.43  ? 79  TYR   B CZ  1 
ATOM   886  O OH  . TYR   B 2 70  ? -22.454 7.804   -6.328  1.00 53.02  ? 79  TYR   B OH  1 
ATOM   887  N N   . CYS   B 2 71  ? -30.059 3.909   -5.772  1.00 45.69  ? 80  CYS   B N   1 
ATOM   888  C CA  . CYS   B 2 71  ? -31.540 3.710   -5.732  1.00 48.66  ? 80  CYS   B CA  1 
ATOM   889  C C   . CYS   B 2 71  ? -31.906 2.253   -5.453  1.00 51.60  ? 80  CYS   B C   1 
ATOM   890  O O   . CYS   B 2 71  ? -33.092 1.978   -5.182  1.00 53.07  ? 80  CYS   B O   1 
ATOM   891  C CB  . CYS   B 2 71  ? -32.215 4.142   -7.026  1.00 52.48  ? 80  CYS   B CB  1 
ATOM   892  S SG  . CYS   B 2 71  ? -31.903 5.886   -7.410  1.00 60.30  ? 80  CYS   B SG  1 
ATOM   893  N N   . GLY   B 2 72  ? -30.947 1.333   -5.480  1.00 46.57  ? 81  GLY   B N   1 
ATOM   894  C CA  . GLY   B 2 72  ? -31.295 -0.075  -5.235  1.00 47.32  ? 81  GLY   B CA  1 
ATOM   895  C C   . GLY   B 2 72  ? -30.064 -0.957  -5.269  1.00 45.71  ? 81  GLY   B C   1 
ATOM   896  O O   . GLY   B 2 72  ? -28.959 -0.479  -5.513  1.00 44.46  ? 81  GLY   B O   1 
ATOM   897  N N   . PRO   B 2 73  ? -30.235 -2.256  -4.977  1.00 43.17  ? 82  PRO   B N   1 
ATOM   898  C CA  . PRO   B 2 73  ? -29.122 -3.199  -5.047  1.00 48.22  ? 82  PRO   B CA  1 
ATOM   899  C C   . PRO   B 2 73  ? -28.583 -3.385  -6.477  1.00 48.24  ? 82  PRO   B C   1 
ATOM   900  O O   . PRO   B 2 73  ? -29.340 -3.256  -7.447  1.00 50.48  ? 82  PRO   B O   1 
ATOM   901  C CB  . PRO   B 2 73  ? -29.724 -4.505  -4.476  1.00 45.37  ? 82  PRO   B CB  1 
ATOM   902  C CG  . PRO   B 2 73  ? -31.234 -4.353  -4.661  1.00 46.17  ? 82  PRO   B CG  1 
ATOM   903  C CD  . PRO   B 2 73  ? -31.507 -2.871  -4.550  1.00 45.43  ? 82  PRO   B CD  1 
ATOM   904  N N   . TRP   B 2 74  ? -27.294 -3.736  -6.587  1.00 48.76  ? 83  TRP   B N   1 
ATOM   905  C CA  . TRP   B 2 74  ? -26.638 -4.158  -7.854  1.00 49.38  ? 83  TRP   B CA  1 
ATOM   906  C C   . TRP   B 2 74  ? -27.552 -5.142  -8.610  1.00 49.64  ? 83  TRP   B C   1 
ATOM   907  O O   . TRP   B 2 74  ? -27.994 -6.100  -7.992  1.00 48.86  ? 83  TRP   B O   1 
ATOM   908  C CB  . TRP   B 2 74  ? -25.256 -4.763  -7.567  1.00 45.95  ? 83  TRP   B CB  1 
ATOM   909  C CG  . TRP   B 2 74  ? -24.454 -4.937  -8.815  1.00 45.30  ? 83  TRP   B CG  1 
ATOM   910  C CD1 . TRP   B 2 74  ? -24.390 -6.041  -9.613  1.00 41.48  ? 83  TRP   B CD1 1 
ATOM   911  C CD2 . TRP   B 2 74  ? -23.614 -3.941  -9.422  1.00 44.88  ? 83  TRP   B CD2 1 
ATOM   912  N NE1 . TRP   B 2 74  ? -23.577 -5.793  -10.686 1.00 44.44  ? 83  TRP   B NE1 1 
ATOM   913  C CE2 . TRP   B 2 74  ? -23.080 -4.518  -10.593 1.00 44.24  ? 83  TRP   B CE2 1 
ATOM   914  C CE3 . TRP   B 2 74  ? -23.273 -2.621  -9.095  1.00 42.87  ? 83  TRP   B CE3 1 
ATOM   915  C CZ2 . TRP   B 2 74  ? -22.243 -3.811  -11.447 1.00 41.49  ? 83  TRP   B CZ2 1 
ATOM   916  C CZ3 . TRP   B 2 74  ? -22.455 -1.921  -9.945  1.00 43.34  ? 83  TRP   B CZ3 1 
ATOM   917  C CH2 . TRP   B 2 74  ? -21.947 -2.513  -11.103 1.00 44.52  ? 83  TRP   B CH2 1 
ATOM   918  N N   . LYS   B 2 75  ? -27.798 -4.910  -9.905  1.00 51.26  ? 84  LYS   B N   1 
ATOM   919  C CA  . LYS   B 2 75  ? -28.766 -5.670  -10.745 1.00 51.07  ? 84  LYS   B CA  1 
ATOM   920  C C   . LYS   B 2 75  ? -28.059 -6.506  -11.823 1.00 53.93  ? 84  LYS   B C   1 
ATOM   921  O O   . LYS   B 2 75  ? -28.724 -7.393  -12.351 1.00 55.96  ? 84  LYS   B O   1 
ATOM   922  C CB  . LYS   B 2 75  ? -29.713 -4.712  -11.470 1.00 54.47  ? 84  LYS   B CB  1 
ATOM   923  C CG  . LYS   B 2 75  ? -30.606 -3.876  -10.570 1.00 57.69  ? 84  LYS   B CG  1 
ATOM   924  C CD  . LYS   B 2 75  ? -31.638 -4.696  -9.858  1.00 61.14  ? 84  LYS   B CD  1 
ATOM   925  C CE  . LYS   B 2 75  ? -32.434 -3.884  -8.865  1.00 63.14  ? 84  LYS   B CE  1 
ATOM   926  N NZ  . LYS   B 2 75  ? -33.618 -4.644  -8.419  1.00 71.88  ? 84  LYS   B NZ  1 
ATOM   927  N N   . LEU   B 2 76  ? -26.786 -6.234  -12.144 1.00 52.50  ? 85  LEU   B N   1 
ATOM   928  C CA  . LEU   B 2 76  ? -26.083 -6.763  -13.345 1.00 54.24  ? 85  LEU   B CA  1 
ATOM   929  C C   . LEU   B 2 76  ? -25.322 -8.051  -12.998 1.00 57.96  ? 85  LEU   B C   1 
ATOM   930  O O   . LEU   B 2 76  ? -24.298 -7.973  -12.280 1.00 54.65  ? 85  LEU   B O   1 
ATOM   931  C CB  . LEU   B 2 76  ? -25.141 -5.670  -13.863 1.00 55.97  ? 85  LEU   B CB  1 
ATOM   932  C CG  . LEU   B 2 76  ? -25.824 -4.325  -14.128 1.00 52.43  ? 85  LEU   B CG  1 
ATOM   933  C CD1 . LEU   B 2 76  ? -24.865 -3.340  -14.768 1.00 53.07  ? 85  LEU   B CD1 1 
ATOM   934  C CD2 . LEU   B 2 76  ? -27.054 -4.494  -15.009 1.00 53.92  ? 85  LEU   B CD2 1 
ATOM   935  N N   . ASP   B 2 77  ? -25.795 -9.198  -13.493 1.00 52.86  ? 86  ASP   B N   1 
ATOM   936  C CA  . ASP   B 2 77  ? -25.282 -10.519 -13.032 1.00 64.29  ? 86  ASP   B CA  1 
ATOM   937  C C   . ASP   B 2 77  ? -24.758 -11.363 -14.200 1.00 58.93  ? 86  ASP   B C   1 
ATOM   938  O O   . ASP   B 2 77  ? -24.320 -12.471 -13.942 1.00 67.57  ? 86  ASP   B O   1 
ATOM   939  C CB  . ASP   B 2 77  ? -26.348 -11.281 -12.247 1.00 68.46  ? 86  ASP   B CB  1 
ATOM   940  C CG  . ASP   B 2 77  ? -27.663 -11.350 -12.985 1.00 77.64  ? 86  ASP   B CG  1 
ATOM   941  O OD1 . ASP   B 2 77  ? -27.659 -11.032 -14.189 1.00 79.68  ? 86  ASP   B OD1 1 
ATOM   942  O OD2 . ASP   B 2 77  ? -28.679 -11.702 -12.349 1.00 87.67  ? 86  ASP   B OD2 1 
ATOM   943  N N   . ALA   B 2 78  ? -24.762 -10.859 -15.432 1.00 58.73  ? 87  ALA   B N   1 
ATOM   944  C CA  . ALA   B 2 78  ? -24.311 -11.622 -16.610 1.00 53.19  ? 87  ALA   B CA  1 
ATOM   945  C C   . ALA   B 2 78  ? -22.782 -11.707 -16.552 1.00 56.56  ? 87  ALA   B C   1 
ATOM   946  O O   . ALA   B 2 78  ? -22.144 -10.742 -16.021 1.00 60.56  ? 87  ALA   B O   1 
ATOM   947  C CB  . ALA   B 2 78  ? -24.816 -10.992 -17.879 1.00 50.75  ? 87  ALA   B CB  1 
ATOM   948  N N   . ALA   B 2 79  ? -22.219 -12.811 -17.058 1.00 54.80  ? 88  ALA   B N   1 
ATOM   949  C CA  . ALA   B 2 79  ? -20.775 -13.135 -16.968 1.00 56.53  ? 88  ALA   B CA  1 
ATOM   950  C C   . ALA   B 2 79  ? -20.180 -13.391 -18.357 1.00 52.51  ? 88  ALA   B C   1 
ATOM   951  O O   . ALA   B 2 79  ? -20.853 -14.045 -19.183 1.00 49.19  ? 88  ALA   B O   1 
ATOM   952  C CB  . ALA   B 2 79  ? -20.613 -14.333 -16.071 1.00 59.63  ? 88  ALA   B CB  1 
ATOM   953  N N   . TRP   B 2 80  ? -18.963 -12.896 -18.619 1.00 49.56  ? 89  TRP   B N   1 
ATOM   954  C CA  . TRP   B 2 80  ? -18.144 -13.336 -19.780 1.00 55.83  ? 89  TRP   B CA  1 
ATOM   955  C C   . TRP   B 2 80  ? -18.086 -14.863 -19.761 1.00 61.03  ? 89  TRP   B C   1 
ATOM   956  O O   . TRP   B 2 80  ? -17.871 -15.418 -18.667 1.00 55.87  ? 89  TRP   B O   1 
ATOM   957  C CB  . TRP   B 2 80  ? -16.730 -12.748 -19.774 1.00 60.59  ? 89  TRP   B CB  1 
ATOM   958  C CG  . TRP   B 2 80  ? -15.919 -13.134 -20.977 1.00 63.93  ? 89  TRP   B CG  1 
ATOM   959  C CD1 . TRP   B 2 80  ? -16.362 -13.227 -22.266 1.00 64.71  ? 89  TRP   B CD1 1 
ATOM   960  C CD2 . TRP   B 2 80  ? -14.506 -13.420 -21.023 1.00 66.21  ? 89  TRP   B CD2 1 
ATOM   961  N NE1 . TRP   B 2 80  ? -15.335 -13.555 -23.106 1.00 63.85  ? 89  TRP   B NE1 1 
ATOM   962  C CE2 . TRP   B 2 80  ? -14.182 -13.686 -22.376 1.00 61.49  ? 89  TRP   B CE2 1 
ATOM   963  C CE3 . TRP   B 2 80  ? -13.488 -13.511 -20.062 1.00 61.08  ? 89  TRP   B CE3 1 
ATOM   964  C CZ2 . TRP   B 2 80  ? -12.894 -14.038 -22.781 1.00 55.95  ? 89  TRP   B CZ2 1 
ATOM   965  C CZ3 . TRP   B 2 80  ? -12.212 -13.856 -20.467 1.00 60.07  ? 89  TRP   B CZ3 1 
ATOM   966  C CH2 . TRP   B 2 80  ? -11.923 -14.121 -21.809 1.00 54.11  ? 89  TRP   B CH2 1 
ATOM   967  N N   . ASP   B 2 81  ? -18.320 -15.506 -20.911 1.00 67.38  ? 90  ASP   B N   1 
ATOM   968  C CA  . ASP   B 2 81  ? -18.458 -16.985 -21.008 1.00 66.18  ? 90  ASP   B CA  1 
ATOM   969  C C   . ASP   B 2 81  ? -17.056 -17.615 -21.054 1.00 66.17  ? 90  ASP   B C   1 
ATOM   970  O O   . ASP   B 2 81  ? -16.974 -18.834 -20.830 1.00 64.40  ? 90  ASP   B O   1 
ATOM   971  C CB  . ASP   B 2 81  ? -19.346 -17.403 -22.184 1.00 60.11  ? 90  ASP   B CB  1 
ATOM   972  C CG  . ASP   B 2 81  ? -18.752 -17.126 -23.546 1.00 56.82  ? 90  ASP   B CG  1 
ATOM   973  O OD1 . ASP   B 2 81  ? -17.756 -16.350 -23.633 1.00 64.35  ? 90  ASP   B OD1 1 
ATOM   974  O OD2 . ASP   B 2 81  ? -19.310 -17.652 -24.520 1.00 60.30  ? 90  ASP   B OD2 1 
ATOM   975  N N   . GLY   B 2 82  ? -16.015 -16.803 -21.295 1.00 65.04  ? 91  GLY   B N   1 
ATOM   976  C CA  . GLY   B 2 82  ? -14.603 -17.219 -21.328 1.00 62.45  ? 91  GLY   B CA  1 
ATOM   977  C C   . GLY   B 2 82  ? -14.093 -17.463 -22.742 1.00 65.43  ? 91  GLY   B C   1 
ATOM   978  O O   . GLY   B 2 82  ? -12.869 -17.658 -22.862 1.00 62.05  ? 91  GLY   B O   1 
ATOM   979  N N   . LEU   B 2 83  ? -14.970 -17.449 -23.765 1.00 64.74  ? 92  LEU   B N   1 
ATOM   980  C CA  . LEU   B 2 83  ? -14.659 -17.802 -25.184 1.00 63.73  ? 92  LEU   B CA  1 
ATOM   981  C C   . LEU   B 2 83  ? -15.008 -16.665 -26.158 1.00 67.91  ? 92  LEU   B C   1 
ATOM   982  O O   . LEU   B 2 83  ? -14.122 -16.223 -26.927 1.00 60.51  ? 92  LEU   B O   1 
ATOM   983  C CB  . LEU   B 2 83  ? -15.461 -19.050 -25.549 1.00 68.60  ? 92  LEU   B CB  1 
ATOM   984  C CG  . LEU   B 2 83  ? -15.047 -20.330 -24.828 1.00 76.74  ? 92  LEU   B CG  1 
ATOM   985  C CD1 . LEU   B 2 83  ? -16.083 -21.428 -25.037 1.00 78.03  ? 92  LEU   B CD1 1 
ATOM   986  C CD2 . LEU   B 2 83  ? -13.663 -20.788 -25.280 1.00 72.30  ? 92  LEU   B CD2 1 
ATOM   987  N N   . SER   B 2 84  ? -16.273 -16.236 -26.169 1.00 69.23  ? 93  SER   B N   1 
ATOM   988  C CA  . SER   B 2 84  ? -16.853 -15.337 -27.205 1.00 62.73  ? 93  SER   B CA  1 
ATOM   989  C C   . SER   B 2 84  ? -16.200 -13.944 -27.167 1.00 56.29  ? 93  SER   B C   1 
ATOM   990  O O   . SER   B 2 84  ? -15.637 -13.553 -26.123 1.00 62.43  ? 93  SER   B O   1 
ATOM   991  C CB  . SER   B 2 84  ? -18.339 -15.281 -27.044 1.00 60.24  ? 93  SER   B CB  1 
ATOM   992  O OG  . SER   B 2 84  ? -18.772 -16.331 -26.176 1.00 58.74  ? 93  SER   B OG  1 
ATOM   993  N N   . GLU   B 2 85  ? -16.224 -13.231 -28.291 1.00 59.42  ? 94  GLU   B N   1 
ATOM   994  C CA  . GLU   B 2 85  ? -15.847 -11.793 -28.337 1.00 73.30  ? 94  GLU   B CA  1 
ATOM   995  C C   . GLU   B 2 85  ? -16.940 -10.998 -27.604 1.00 62.36  ? 94  GLU   B C   1 
ATOM   996  O O   . GLU   B 2 85  ? -18.052 -11.534 -27.359 1.00 48.39  ? 94  GLU   B O   1 
ATOM   997  C CB  . GLU   B 2 85  ? -15.616 -11.286 -29.770 1.00 86.07  ? 94  GLU   B CB  1 
ATOM   998  C CG  . GLU   B 2 85  ? -14.188 -11.497 -30.286 1.00 93.96  ? 94  GLU   B CG  1 
ATOM   999  C CD  . GLU   B 2 85  ? -13.860 -10.973 -31.684 1.00 99.34  ? 94  GLU   B CD  1 
ATOM   1000 O OE1 . GLU   B 2 85  ? -14.791 -10.514 -32.372 1.00 100.01 ? 94  GLU   B OE1 1 
ATOM   1001 O OE2 . GLU   B 2 85  ? -12.664 -11.011 -32.089 1.00 93.28  ? 94  GLU   B OE2 1 
ATOM   1002 N N   . VAL   B 2 86  ? -16.609 -9.771  -27.227 1.00 53.49  ? 95  VAL   B N   1 
ATOM   1003 C CA  . VAL   B 2 86  ? -17.526 -8.861  -26.487 1.00 55.92  ? 95  VAL   B CA  1 
ATOM   1004 C C   . VAL   B 2 86  ? -17.465 -7.493  -27.155 1.00 56.22  ? 95  VAL   B C   1 
ATOM   1005 O O   . VAL   B 2 86  ? -16.467 -7.234  -27.888 1.00 60.32  ? 95  VAL   B O   1 
ATOM   1006 C CB  . VAL   B 2 86  ? -17.140 -8.749  -24.997 1.00 47.86  ? 95  VAL   B CB  1 
ATOM   1007 C CG1 . VAL   B 2 86  ? -17.058 -10.099 -24.334 1.00 48.94  ? 95  VAL   B CG1 1 
ATOM   1008 C CG2 . VAL   B 2 86  ? -15.841 -7.990  -24.805 1.00 49.58  ? 95  VAL   B CG2 1 
ATOM   1009 N N   . GLN   B 2 87  ? -18.424 -6.622  -26.814 1.00 58.99  ? 96  GLN   B N   1 
ATOM   1010 C CA  . GLN   B 2 87  ? -18.408 -5.191  -27.215 1.00 59.39  ? 96  GLN   B CA  1 
ATOM   1011 C C   . GLN   B 2 87  ? -18.261 -4.327  -25.961 1.00 53.50  ? 96  GLN   B C   1 
ATOM   1012 O O   . GLN   B 2 87  ? -19.079 -4.498  -25.035 1.00 55.47  ? 96  GLN   B O   1 
ATOM   1013 C CB  . GLN   B 2 87  ? -19.640 -4.880  -28.072 1.00 61.10  ? 96  GLN   B CB  1 
ATOM   1014 C CG  . GLN   B 2 87  ? -19.523 -5.490  -29.468 1.00 67.91  ? 96  GLN   B CG  1 
ATOM   1015 C CD  . GLN   B 2 87  ? -20.650 -5.154  -30.419 1.00 67.11  ? 96  GLN   B CD  1 
ATOM   1016 O OE1 . GLN   B 2 87  ? -21.375 -4.186  -30.234 1.00 63.74  ? 96  GLN   B OE1 1 
ATOM   1017 N NE2 . GLN   B 2 87  ? -20.790 -5.945  -31.471 1.00 66.15  ? 96  GLN   B NE2 1 
ATOM   1018 N N   . LEU   B 2 88  ? -17.215 -3.491  -25.938 1.00 46.00  ? 97  LEU   B N   1 
ATOM   1019 C CA  . LEU   B 2 88  ? -17.134 -2.261  -25.112 1.00 52.40  ? 97  LEU   B CA  1 
ATOM   1020 C C   . LEU   B 2 88  ? -18.025 -1.175  -25.736 1.00 54.92  ? 97  LEU   B C   1 
ATOM   1021 O O   . LEU   B 2 88  ? -17.608 -0.597  -26.772 1.00 53.99  ? 97  LEU   B O   1 
ATOM   1022 C CB  . LEU   B 2 88  ? -15.693 -1.743  -25.028 1.00 49.13  ? 97  LEU   B CB  1 
ATOM   1023 C CG  . LEU   B 2 88  ? -15.552 -0.388  -24.333 1.00 48.65  ? 97  LEU   B CG  1 
ATOM   1024 C CD1 . LEU   B 2 88  ? -15.952 -0.471  -22.870 1.00 54.87  ? 97  LEU   B CD1 1 
ATOM   1025 C CD2 . LEU   B 2 88  ? -14.147 0.177   -24.451 1.00 53.24  ? 97  LEU   B CD2 1 
ATOM   1026 N N   . LEU   B 2 89  ? -19.175 -0.881  -25.124 1.00 56.93  ? 98  LEU   B N   1 
ATOM   1027 C CA  . LEU   B 2 89  ? -20.017 0.301   -25.470 1.00 51.09  ? 98  LEU   B CA  1 
ATOM   1028 C C   . LEU   B 2 89  ? -19.345 1.513   -24.843 1.00 48.39  ? 98  LEU   B C   1 
ATOM   1029 O O   . LEU   B 2 89  ? -19.785 1.936   -23.771 1.00 54.75  ? 98  LEU   B O   1 
ATOM   1030 C CB  . LEU   B 2 89  ? -21.450 0.058   -24.974 1.00 54.66  ? 98  LEU   B CB  1 
ATOM   1031 C CG  . LEU   B 2 89  ? -22.496 1.181   -25.135 1.00 59.10  ? 98  LEU   B CG  1 
ATOM   1032 C CD1 . LEU   B 2 89  ? -22.228 2.100   -26.307 1.00 57.25  ? 98  LEU   B CD1 1 
ATOM   1033 C CD2 . LEU   B 2 89  ? -23.900 0.603   -25.265 1.00 58.75  ? 98  LEU   B CD2 1 
ATOM   1034 N N   . ALA   B 2 90  ? -18.270 2.008   -25.462 1.00 45.01  ? 99  ALA   B N   1 
ATOM   1035 C CA  . ALA   B 2 90  ? -17.489 3.163   -24.961 1.00 49.70  ? 99  ALA   B CA  1 
ATOM   1036 C C   . ALA   B 2 90  ? -18.295 4.458   -25.101 1.00 59.00  ? 99  ALA   B C   1 
ATOM   1037 O O   . ALA   B 2 90  ? -18.908 4.642   -26.176 1.00 54.09  ? 99  ALA   B O   1 
ATOM   1038 C CB  . ALA   B 2 90  ? -16.211 3.304   -25.724 1.00 51.83  ? 99  ALA   B CB  1 
ATOM   1039 N N   . VAL   B 2 91  ? -18.218 5.341   -24.092 1.00 59.71  ? 100 VAL   B N   1 
ATOM   1040 C CA  . VAL   B 2 91  ? -18.837 6.699   -24.094 1.00 53.60  ? 100 VAL   B CA  1 
ATOM   1041 C C   . VAL   B 2 91  ? -17.799 7.724   -23.656 1.00 48.43  ? 100 VAL   B C   1 
ATOM   1042 O O   . VAL   B 2 91  ? -17.766 8.107   -22.498 1.00 49.34  ? 100 VAL   B O   1 
ATOM   1043 C CB  . VAL   B 2 91  ? -20.088 6.726   -23.203 1.00 54.27  ? 100 VAL   B CB  1 
ATOM   1044 C CG1 . VAL   B 2 91  ? -20.735 8.105   -23.184 1.00 63.10  ? 100 VAL   B CG1 1 
ATOM   1045 C CG2 . VAL   B 2 91  ? -21.090 5.669   -23.642 1.00 51.20  ? 100 VAL   B CG2 1 
ATOM   1046 N N   . PRO   B 2 92  ? -16.918 8.202   -24.563 1.00 52.02  ? 101 PRO   B N   1 
ATOM   1047 C CA  . PRO   B 2 92  ? -15.842 9.125   -24.190 1.00 52.60  ? 101 PRO   B CA  1 
ATOM   1048 C C   . PRO   B 2 92  ? -16.300 10.574  -24.055 1.00 56.54  ? 101 PRO   B C   1 
ATOM   1049 O O   . PRO   B 2 92  ? -17.309 10.970  -24.638 1.00 55.85  ? 101 PRO   B O   1 
ATOM   1050 C CB  . PRO   B 2 92  ? -14.829 9.038   -25.347 1.00 52.16  ? 101 PRO   B CB  1 
ATOM   1051 C CG  . PRO   B 2 92  ? -15.387 7.992   -26.299 1.00 51.88  ? 101 PRO   B CG  1 
ATOM   1052 C CD  . PRO   B 2 92  ? -16.863 7.844   -25.986 1.00 53.84  ? 101 PRO   B CD  1 
ATOM   1053 N N   . PRO   B 2 93  ? -15.568 11.414  -23.291 1.00 57.88  ? 102 PRO   B N   1 
ATOM   1054 C CA  . PRO   B 2 93  ? -15.965 12.807  -23.094 1.00 61.80  ? 102 PRO   B CA  1 
ATOM   1055 C C   . PRO   B 2 93  ? -16.089 13.552  -24.433 1.00 65.12  ? 102 PRO   B C   1 
ATOM   1056 O O   . PRO   B 2 93  ? -15.202 13.415  -25.275 1.00 70.46  ? 102 PRO   B O   1 
ATOM   1057 C CB  . PRO   B 2 93  ? -14.841 13.381  -22.215 1.00 61.24  ? 102 PRO   B CB  1 
ATOM   1058 C CG  . PRO   B 2 93  ? -14.276 12.172  -21.508 1.00 61.31  ? 102 PRO   B CG  1 
ATOM   1059 C CD  . PRO   B 2 93  ? -14.349 11.068  -22.542 1.00 60.16  ? 102 PRO   B CD  1 
ATOM   1060 N N   . GLY   B 2 94  ? -17.198 14.283  -24.611 1.00 62.36  ? 103 GLY   B N   1 
ATOM   1061 C CA  . GLY   B 2 94  ? -17.470 15.129  -25.792 1.00 65.37  ? 103 GLY   B CA  1 
ATOM   1062 C C   . GLY   B 2 94  ? -17.823 14.341  -27.051 1.00 58.26  ? 103 GLY   B C   1 
ATOM   1063 O O   . GLY   B 2 94  ? -18.120 14.969  -28.080 1.00 65.76  ? 103 GLY   B O   1 
ATOM   1064 N N   . GLU   B 2 95  ? -17.820 13.014  -26.995 1.00 61.25  ? 104 GLU   B N   1 
ATOM   1065 C CA  . GLU   B 2 95  ? -17.924 12.147  -28.197 1.00 57.10  ? 104 GLU   B CA  1 
ATOM   1066 C C   . GLU   B 2 95  ? -19.125 11.222  -28.007 1.00 56.91  ? 104 GLU   B C   1 
ATOM   1067 O O   . GLU   B 2 95  ? -19.504 10.994  -26.851 1.00 60.28  ? 104 GLU   B O   1 
ATOM   1068 C CB  . GLU   B 2 95  ? -16.604 11.398  -28.402 1.00 59.78  ? 104 GLU   B CB  1 
ATOM   1069 C CG  . GLU   B 2 95  ? -15.426 12.327  -28.698 1.00 66.86  ? 104 GLU   B CG  1 
ATOM   1070 C CD  . GLU   B 2 95  ? -14.066 11.643  -28.796 1.00 77.37  ? 104 GLU   B CD  1 
ATOM   1071 O OE1 . GLU   B 2 95  ? -14.052 10.393  -28.820 1.00 78.06  ? 104 GLU   B OE1 1 
ATOM   1072 O OE2 . GLU   B 2 95  ? -13.015 12.359  -28.847 1.00 76.51  ? 104 GLU   B OE2 1 
ATOM   1073 N N   . ARG   B 2 96  ? -19.714 10.751  -29.101 1.00 55.27  ? 105 ARG   B N   1 
ATOM   1074 C CA  . ARG   B 2 96  ? -20.944 9.915   -29.105 1.00 62.95  ? 105 ARG   B CA  1 
ATOM   1075 C C   . ARG   B 2 96  ? -20.592 8.470   -28.726 1.00 64.16  ? 105 ARG   B C   1 
ATOM   1076 O O   . ARG   B 2 96  ? -19.439 8.042   -28.959 1.00 64.54  ? 105 ARG   B O   1 
ATOM   1077 C CB  . ARG   B 2 96  ? -21.605 10.004  -30.488 1.00 69.74  ? 105 ARG   B CB  1 
ATOM   1078 C CG  . ARG   B 2 96  ? -22.833 9.121   -30.662 1.00 77.26  ? 105 ARG   B CG  1 
ATOM   1079 C CD  . ARG   B 2 96  ? -23.743 9.517   -31.816 1.00 83.68  ? 105 ARG   B CD  1 
ATOM   1080 N NE  . ARG   B 2 96  ? -23.157 9.348   -33.143 1.00 86.00  ? 105 ARG   B NE  1 
ATOM   1081 C CZ  . ARG   B 2 96  ? -22.536 10.295  -33.847 1.00 93.83  ? 105 ARG   B CZ  1 
ATOM   1082 N NH1 . ARG   B 2 96  ? -22.393 11.524  -33.372 1.00 90.75  ? 105 ARG   B NH1 1 
ATOM   1083 N NH2 . ARG   B 2 96  ? -22.053 10.002  -35.043 1.00 97.68  ? 105 ARG   B NH2 1 
ATOM   1084 N N   . ALA   B 2 97  ? -21.570 7.749   -28.172 1.00 60.10  ? 106 ALA   B N   1 
ATOM   1085 C CA  . ALA   B 2 97  ? -21.514 6.310   -27.828 1.00 55.47  ? 106 ALA   B CA  1 
ATOM   1086 C C   . ALA   B 2 97  ? -21.084 5.478   -29.044 1.00 61.17  ? 106 ALA   B C   1 
ATOM   1087 O O   . ALA   B 2 97  ? -21.726 5.588   -30.112 1.00 61.74  ? 106 ALA   B O   1 
ATOM   1088 C CB  . ALA   B 2 97  ? -22.854 5.857   -27.328 1.00 55.14  ? 106 ALA   B CB  1 
ATOM   1089 N N   . LYS   B 2 98  ? -20.074 4.628   -28.856 1.00 64.61  ? 107 LYS   B N   1 
ATOM   1090 C CA  . LYS   B 2 98  ? -19.381 3.857   -29.922 1.00 69.97  ? 107 LYS   B CA  1 
ATOM   1091 C C   . LYS   B 2 98  ? -19.076 2.441   -29.419 1.00 65.76  ? 107 LYS   B C   1 
ATOM   1092 O O   . LYS   B 2 98  ? -18.291 2.337   -28.469 1.00 62.60  ? 107 LYS   B O   1 
ATOM   1093 C CB  . LYS   B 2 98  ? -18.094 4.612   -30.260 1.00 79.69  ? 107 LYS   B CB  1 
ATOM   1094 C CG  . LYS   B 2 98  ? -17.049 3.846   -31.060 1.00 89.20  ? 107 LYS   B CG  1 
ATOM   1095 C CD  . LYS   B 2 98  ? -15.809 4.674   -31.382 1.00 93.47  ? 107 LYS   B CD  1 
ATOM   1096 C CE  . LYS   B 2 98  ? -15.218 5.363   -30.167 1.00 93.97  ? 107 LYS   B CE  1 
ATOM   1097 N NZ  . LYS   B 2 98  ? -14.011 6.157   -30.501 1.00 101.33 ? 107 LYS   B NZ  1 
ATOM   1098 N N   . ASN   B 2 99  ? -19.694 1.416   -30.014 1.00 57.26  ? 108 ASN   B N   1 
ATOM   1099 C CA  . ASN   B 2 99  ? -19.373 -0.019  -29.784 1.00 65.15  ? 108 ASN   B CA  1 
ATOM   1100 C C   . ASN   B 2 99  ? -17.977 -0.307  -30.343 1.00 66.02  ? 108 ASN   B C   1 
ATOM   1101 O O   . ASN   B 2 99  ? -17.644 0.236   -31.397 1.00 74.44  ? 108 ASN   B O   1 
ATOM   1102 C CB  . ASN   B 2 99  ? -20.415 -0.971  -30.377 1.00 56.39  ? 108 ASN   B CB  1 
ATOM   1103 C CG  . ASN   B 2 99  ? -21.764 -0.759  -29.731 1.00 64.60  ? 108 ASN   B CG  1 
ATOM   1104 O OD1 . ASN   B 2 99  ? -22.251 0.367   -29.720 1.00 80.50  ? 108 ASN   B OD1 1 
ATOM   1105 N ND2 . ASN   B 2 99  ? -22.374 -1.797  -29.177 1.00 59.86  ? 108 ASN   B ND2 1 
ATOM   1106 N N   . ILE   B 2 100 ? -17.184 -1.099  -29.623 1.00 64.38  ? 109 ILE   B N   1 
ATOM   1107 C CA  . ILE   B 2 100 ? -15.843 -1.587  -30.054 1.00 61.12  ? 109 ILE   B CA  1 
ATOM   1108 C C   . ILE   B 2 100 ? -15.775 -3.068  -29.712 1.00 61.45  ? 109 ILE   B C   1 
ATOM   1109 O O   . ILE   B 2 100 ? -15.821 -3.382  -28.513 1.00 69.31  ? 109 ILE   B O   1 
ATOM   1110 C CB  . ILE   B 2 100 ? -14.721 -0.826  -29.344 1.00 63.08  ? 109 ILE   B CB  1 
ATOM   1111 C CG1 . ILE   B 2 100 ? -14.929 0.686   -29.392 1.00 64.06  ? 109 ILE   B CG1 1 
ATOM   1112 C CG2 . ILE   B 2 100 ? -13.375 -1.243  -29.903 1.00 65.16  ? 109 ILE   B CG2 1 
ATOM   1113 C CD1 . ILE   B 2 100 ? -14.601 1.302   -30.723 1.00 67.79  ? 109 ILE   B CD1 1 
ATOM   1114 N N   . GLN   B 2 101 ? -15.729 -3.936  -30.717 1.00 62.00  ? 110 GLN   B N   1 
ATOM   1115 C CA  . GLN   B 2 101 ? -15.718 -5.405  -30.517 1.00 62.94  ? 110 GLN   B CA  1 
ATOM   1116 C C   . GLN   B 2 101 ? -14.273 -5.834  -30.236 1.00 66.80  ? 110 GLN   B C   1 
ATOM   1117 O O   . GLN   B 2 101 ? -13.344 -5.251  -30.849 1.00 54.72  ? 110 GLN   B O   1 
ATOM   1118 C CB  . GLN   B 2 101 ? -16.303 -6.124  -31.728 1.00 66.67  ? 110 GLN   B CB  1 
ATOM   1119 C CG  . GLN   B 2 101 ? -16.347 -7.629  -31.554 1.00 64.76  ? 110 GLN   B CG  1 
ATOM   1120 C CD  . GLN   B 2 101 ? -17.451 -8.264  -32.352 1.00 65.27  ? 110 GLN   B CD  1 
ATOM   1121 O OE1 . GLN   B 2 101 ? -18.490 -7.666  -32.612 1.00 69.25  ? 110 GLN   B OE1 1 
ATOM   1122 N NE2 . GLN   B 2 101 ? -17.234 -9.499  -32.751 1.00 68.89  ? 110 GLN   B NE2 1 
ATOM   1123 N N   . THR   B 2 102 ? -14.092 -6.759  -29.283 1.00 64.49  ? 111 THR   B N   1 
ATOM   1124 C CA  . THR   B 2 102 ? -12.766 -7.291  -28.881 1.00 58.63  ? 111 THR   B CA  1 
ATOM   1125 C C   . THR   B 2 102 ? -12.975 -8.679  -28.287 1.00 60.51  ? 111 THR   B C   1 
ATOM   1126 O O   . THR   B 2 102 ? -14.146 -9.012  -27.949 1.00 67.99  ? 111 THR   B O   1 
ATOM   1127 C CB  . THR   B 2 102 ? -12.031 -6.308  -27.965 1.00 58.00  ? 111 THR   B CB  1 
ATOM   1128 O OG1 . THR   B 2 102 ? -10.651 -6.676  -27.927 1.00 57.53  ? 111 THR   B OG1 1 
ATOM   1129 C CG2 . THR   B 2 102 ? -12.606 -6.247  -26.568 1.00 62.49  ? 111 THR   B CG2 1 
ATOM   1130 N N   . LEU   B 2 103 ? -11.915 -9.488  -28.283 1.00 54.47  ? 112 LEU   B N   1 
ATOM   1131 C CA  . LEU   B 2 103 ? -11.858 -10.754 -27.504 1.00 59.84  ? 112 LEU   B CA  1 
ATOM   1132 C C   . LEU   B 2 103 ? -11.042 -10.445 -26.256 1.00 59.59  ? 112 LEU   B C   1 
ATOM   1133 O O   . LEU   B 2 103 ? -9.902  -9.991  -26.363 1.00 66.76  ? 112 LEU   B O   1 
ATOM   1134 C CB  . LEU   B 2 103 ? -11.219 -11.900 -28.295 1.00 57.35  ? 112 LEU   B CB  1 
ATOM   1135 C CG  . LEU   B 2 103 ? -10.994 -13.172 -27.479 1.00 56.95  ? 112 LEU   B CG  1 
ATOM   1136 C CD1 . LEU   B 2 103 ? -12.203 -14.087 -27.573 1.00 53.78  ? 112 LEU   B CD1 1 
ATOM   1137 C CD2 . LEU   B 2 103 ? -9.726  -13.899 -27.906 1.00 60.59  ? 112 LEU   B CD2 1 
ATOM   1138 N N   . PRO   B 2 104 ? -11.627 -10.601 -25.048 1.00 54.24  ? 113 PRO   B N   1 
ATOM   1139 C CA  . PRO   B 2 104 ? -10.934 -10.228 -23.824 1.00 59.61  ? 113 PRO   B CA  1 
ATOM   1140 C C   . PRO   B 2 104 ? -9.715  -11.127 -23.553 1.00 65.15  ? 113 PRO   B C   1 
ATOM   1141 O O   . PRO   B 2 104 ? -9.766  -12.313 -23.850 1.00 54.79  ? 113 PRO   B O   1 
ATOM   1142 C CB  . PRO   B 2 104 ? -11.983 -10.408 -22.718 1.00 56.07  ? 113 PRO   B CB  1 
ATOM   1143 C CG  . PRO   B 2 104 ? -13.305 -10.486 -23.445 1.00 57.23  ? 113 PRO   B CG  1 
ATOM   1144 C CD  . PRO   B 2 104 ? -12.991 -11.086 -24.799 1.00 57.64  ? 113 PRO   B CD  1 
ATOM   1145 N N   . GLY   B 2 105 ? -8.655  -10.516 -23.019 1.00 62.25  ? 114 GLY   B N   1 
ATOM   1146 C CA  . GLY   B 2 105 ? -7.566  -11.190 -22.291 1.00 64.13  ? 114 GLY   B CA  1 
ATOM   1147 C C   . GLY   B 2 105 ? -7.998  -11.620 -20.895 1.00 63.58  ? 114 GLY   B C   1 
ATOM   1148 O O   . GLY   B 2 105 ? -9.212  -11.859 -20.681 1.00 58.08  ? 114 GLY   B O   1 
ATOM   1149 N N   . ILE   B 2 106 ? -7.026  -11.770 -19.993 1.00 63.96  ? 115 ILE   B N   1 
ATOM   1150 C CA  . ILE   B 2 106 ? -7.172  -12.457 -18.673 1.00 62.55  ? 115 ILE   B CA  1 
ATOM   1151 C C   . ILE   B 2 106 ? -6.285  -11.766 -17.636 1.00 56.05  ? 115 ILE   B C   1 
ATOM   1152 O O   . ILE   B 2 106 ? -5.082  -11.674 -17.857 1.00 61.72  ? 115 ILE   B O   1 
ATOM   1153 C CB  . ILE   B 2 106 ? -6.776  -13.939 -18.783 1.00 63.66  ? 115 ILE   B CB  1 
ATOM   1154 C CG1 . ILE   B 2 106 ? -7.659  -14.716 -19.755 1.00 69.76  ? 115 ILE   B CG1 1 
ATOM   1155 C CG2 . ILE   B 2 106 ? -6.771  -14.582 -17.413 1.00 75.09  ? 115 ILE   B CG2 1 
ATOM   1156 C CD1 . ILE   B 2 106 ? -8.928  -15.236 -19.150 1.00 70.89  ? 115 ILE   B CD1 1 
ATOM   1157 N N   . PHE   B 2 107 ? -6.873  -11.313 -16.537 1.00 59.13  ? 116 PHE   B N   1 
ATOM   1158 C CA  . PHE   B 2 107 ? -6.181  -11.001 -15.266 1.00 58.35  ? 116 PHE   B CA  1 
ATOM   1159 C C   . PHE   B 2 107 ? -6.163  -12.270 -14.422 1.00 59.90  ? 116 PHE   B C   1 
ATOM   1160 O O   . PHE   B 2 107 ? -7.272  -12.738 -14.059 1.00 57.34  ? 116 PHE   B O   1 
ATOM   1161 C CB  . PHE   B 2 107 ? -6.909  -9.900  -14.500 1.00 58.42  ? 116 PHE   B CB  1 
ATOM   1162 C CG  . PHE   B 2 107 ? -6.628  -8.501  -14.969 1.00 59.73  ? 116 PHE   B CG  1 
ATOM   1163 C CD1 . PHE   B 2 107 ? -5.887  -8.262  -16.115 1.00 60.17  ? 116 PHE   B CD1 1 
ATOM   1164 C CD2 . PHE   B 2 107 ? -7.139  -7.419  -14.265 1.00 59.39  ? 116 PHE   B CD2 1 
ATOM   1165 C CE1 . PHE   B 2 107 ? -5.639  -6.966  -16.531 1.00 61.08  ? 116 PHE   B CE1 1 
ATOM   1166 C CE2 . PHE   B 2 107 ? -6.891  -6.125  -14.684 1.00 60.77  ? 116 PHE   B CE2 1 
ATOM   1167 C CZ  . PHE   B 2 107 ? -6.150  -5.903  -15.821 1.00 67.16  ? 116 PHE   B CZ  1 
ATOM   1168 N N   . LYS   B 2 108 ? -4.963  -12.810 -14.184 1.00 58.79  ? 117 LYS   B N   1 
ATOM   1169 C CA  . LYS   B 2 108 ? -4.695  -13.970 -13.291 1.00 65.78  ? 117 LYS   B CA  1 
ATOM   1170 C C   . LYS   B 2 108 ? -4.320  -13.428 -11.907 1.00 55.70  ? 117 LYS   B C   1 
ATOM   1171 O O   . LYS   B 2 108 ? -3.327  -12.663 -11.806 1.00 53.70  ? 117 LYS   B O   1 
ATOM   1172 C CB  . LYS   B 2 108 ? -3.582  -14.856 -13.870 1.00 75.91  ? 117 LYS   B CB  1 
ATOM   1173 C CG  . LYS   B 2 108 ? -4.011  -15.779 -15.005 1.00 85.93  ? 117 LYS   B CG  1 
ATOM   1174 C CD  . LYS   B 2 108 ? -2.875  -16.350 -15.842 1.00 88.75  ? 117 LYS   B CD  1 
ATOM   1175 C CE  . LYS   B 2 108 ? -3.383  -17.004 -17.117 1.00 101.46 ? 117 LYS   B CE  1 
ATOM   1176 N NZ  . LYS   B 2 108 ? -2.312  -17.646 -17.924 1.00 101.65 ? 117 LYS   B NZ  1 
ATOM   1177 N N   . THR   B 2 109 ? -5.104  -13.779 -10.891 1.00 56.09  ? 118 THR   B N   1 
ATOM   1178 C CA  . THR   B 2 109 ? -4.917  -13.351 -9.478  1.00 61.92  ? 118 THR   B CA  1 
ATOM   1179 C C   . THR   B 2 109 ? -4.953  -14.588 -8.584  1.00 60.39  ? 118 THR   B C   1 
ATOM   1180 O O   . THR   B 2 109 ? -5.442  -15.625 -9.043  1.00 59.24  ? 118 THR   B O   1 
ATOM   1181 C CB  . THR   B 2 109 ? -6.011  -12.377 -9.007  1.00 64.86  ? 118 THR   B CB  1 
ATOM   1182 O OG1 . THR   B 2 109 ? -7.202  -13.093 -8.660  1.00 60.68  ? 118 THR   B OG1 1 
ATOM   1183 C CG2 . THR   B 2 109 ? -6.343  -11.324 -10.039 1.00 64.97  ? 118 THR   B CG2 1 
ATOM   1184 N N   . LYS   B 2 110 ? -4.547  -14.428 -7.326  1.00 65.41  ? 119 LYS   B N   1 
ATOM   1185 C CA  . LYS   B 2 110 ? -4.545  -15.490 -6.286  1.00 68.98  ? 119 LYS   B CA  1 
ATOM   1186 C C   . LYS   B 2 110 ? -5.979  -15.943 -5.977  1.00 73.44  ? 119 LYS   B C   1 
ATOM   1187 O O   . LYS   B 2 110 ? -6.134  -17.089 -5.521  1.00 75.85  ? 119 LYS   B O   1 
ATOM   1188 C CB  . LYS   B 2 110 ? -3.813  -15.002 -5.029  1.00 72.91  ? 119 LYS   B CB  1 
ATOM   1189 C CG  . LYS   B 2 110 ? -4.383  -13.761 -4.357  1.00 81.81  ? 119 LYS   B CG  1 
ATOM   1190 C CD  . LYS   B 2 110 ? -3.568  -13.274 -3.172  1.00 84.62  ? 119 LYS   B CD  1 
ATOM   1191 C CE  . LYS   B 2 110 ? -4.322  -13.312 -1.858  1.00 89.43  ? 119 LYS   B CE  1 
ATOM   1192 N NZ  . LYS   B 2 110 ? -5.394  -12.287 -1.809  1.00 89.54  ? 119 LYS   B NZ  1 
ATOM   1193 N N   . ASP   B 2 111 ? -6.992  -15.105 -6.225  1.00 75.38  ? 120 ASP   B N   1 
ATOM   1194 C CA  . ASP   B 2 111 ? -8.406  -15.412 -5.878  1.00 71.43  ? 120 ASP   B CA  1 
ATOM   1195 C C   . ASP   B 2 111 ? -9.176  -15.881 -7.114  1.00 74.61  ? 120 ASP   B C   1 
ATOM   1196 O O   . ASP   B 2 111 ? -10.377 -16.233 -6.966  1.00 79.85  ? 120 ASP   B O   1 
ATOM   1197 C CB  . ASP   B 2 111 ? -9.082  -14.197 -5.245  1.00 76.93  ? 120 ASP   B CB  1 
ATOM   1198 C CG  . ASP   B 2 111 ? -8.505  -13.847 -3.890  1.00 78.35  ? 120 ASP   B CG  1 
ATOM   1199 O OD1 . ASP   B 2 111 ? -7.699  -14.643 -3.382  1.00 81.92  ? 120 ASP   B OD1 1 
ATOM   1200 O OD2 . ASP   B 2 111 ? -8.864  -12.780 -3.356  1.00 88.89  ? 120 ASP   B OD2 1 
ATOM   1201 N N   . GLY   B 2 112 ? -8.535  -15.884 -8.283  1.00 70.76  ? 121 GLY   B N   1 
ATOM   1202 C CA  . GLY   B 2 112 ? -9.170  -16.353 -9.523  1.00 67.52  ? 121 GLY   B CA  1 
ATOM   1203 C C   . GLY   B 2 112 ? -8.765  -15.535 -10.727 1.00 67.36  ? 121 GLY   B C   1 
ATOM   1204 O O   . GLY   B 2 112 ? -7.964  -14.590 -10.578 1.00 62.15  ? 121 GLY   B O   1 
ATOM   1205 N N   . ASP   B 2 113 ? -9.293  -15.925 -11.887 1.00 71.04  ? 122 ASP   B N   1 
ATOM   1206 C CA  . ASP   B 2 113 ? -9.021  -15.300 -13.208 1.00 72.91  ? 122 ASP   B CA  1 
ATOM   1207 C C   . ASP   B 2 113 ? -10.213 -14.406 -13.567 1.00 69.08  ? 122 ASP   B C   1 
ATOM   1208 O O   . ASP   B 2 113 ? -11.359 -14.808 -13.301 1.00 59.06  ? 122 ASP   B O   1 
ATOM   1209 C CB  . ASP   B 2 113 ? -8.712  -16.369 -14.257 1.00 70.33  ? 122 ASP   B CB  1 
ATOM   1210 C CG  . ASP   B 2 113 ? -7.325  -16.970 -14.096 1.00 80.70  ? 122 ASP   B CG  1 
ATOM   1211 O OD1 . ASP   B 2 113 ? -6.644  -16.624 -13.103 1.00 91.27  ? 122 ASP   B OD1 1 
ATOM   1212 O OD2 . ASP   B 2 113 ? -6.927  -17.764 -14.968 1.00 84.94  ? 122 ASP   B OD2 1 
ATOM   1213 N N   . ILE   B 2 114 ? -9.934  -13.223 -14.111 1.00 66.05  ? 123 ILE   B N   1 
ATOM   1214 C CA  . ILE   B 2 114 ? -10.958 -12.199 -14.465 1.00 69.05  ? 123 ILE   B CA  1 
ATOM   1215 C C   . ILE   B 2 114 ? -10.796 -11.875 -15.952 1.00 62.58  ? 123 ILE   B C   1 
ATOM   1216 O O   . ILE   B 2 114 ? -9.645  -11.810 -16.403 1.00 54.68  ? 123 ILE   B O   1 
ATOM   1217 C CB  . ILE   B 2 114 ? -10.783 -10.934 -13.597 1.00 70.04  ? 123 ILE   B CB  1 
ATOM   1218 C CG1 . ILE   B 2 114 ? -10.438 -11.261 -12.143 1.00 79.42  ? 123 ILE   B CG1 1 
ATOM   1219 C CG2 . ILE   B 2 114 ? -12.006 -10.042 -13.689 1.00 69.32  ? 123 ILE   B CG2 1 
ATOM   1220 C CD1 . ILE   B 2 114 ? -9.733  -10.134 -11.407 1.00 83.91  ? 123 ILE   B CD1 1 
ATOM   1221 N N   . GLY   B 2 115 ? -11.897 -11.618 -16.668 1.00 62.42  ? 124 GLY   B N   1 
ATOM   1222 C CA  . GLY   B 2 115 ? -11.852 -11.018 -18.016 1.00 57.59  ? 124 GLY   B CA  1 
ATOM   1223 C C   . GLY   B 2 115 ? -11.076 -9.708  -18.006 1.00 54.93  ? 124 GLY   B C   1 
ATOM   1224 O O   . GLY   B 2 115 ? -11.011 -9.009  -16.958 1.00 47.59  ? 124 GLY   B O   1 
ATOM   1225 N N   . ALA   B 2 116 ? -10.449 -9.378  -19.117 1.00 56.32  ? 125 ALA   B N   1 
ATOM   1226 C CA  . ALA   B 2 116 ? -9.786  -8.069  -19.291 1.00 58.98  ? 125 ALA   B CA  1 
ATOM   1227 C C   . ALA   B 2 116 ? -9.884  -7.671  -20.764 1.00 58.04  ? 125 ALA   B C   1 
ATOM   1228 O O   . ALA   B 2 116 ? -9.812  -8.546  -21.649 1.00 58.39  ? 125 ALA   B O   1 
ATOM   1229 C CB  . ALA   B 2 116 ? -8.362  -8.109  -18.798 1.00 62.17  ? 125 ALA   B CB  1 
ATOM   1230 N N   A VAL   B 2 117 ? -10.083 -6.377  -21.024 0.25 56.57  ? 126 VAL   B N   1 
ATOM   1231 N N   B VAL   B 2 117 ? -10.014 -6.363  -20.993 0.25 55.93  ? 126 VAL   B N   1 
ATOM   1232 N N   C VAL   B 2 117 ? -10.083 -6.377  -21.024 0.25 56.57  ? 126 VAL   B N   1 
ATOM   1233 N N   D VAL   B 2 117 ? -10.014 -6.363  -20.993 0.25 55.93  ? 126 VAL   B N   1 
ATOM   1234 C CA  A VAL   B 2 117 ? -10.173 -5.807  -22.399 0.25 57.94  ? 126 VAL   B CA  1 
ATOM   1235 C CA  B VAL   B 2 117 ? -10.185 -5.720  -22.325 0.25 56.34  ? 126 VAL   B CA  1 
ATOM   1236 C CA  C VAL   B 2 117 ? -10.173 -5.807  -22.399 0.25 57.94  ? 126 VAL   B CA  1 
ATOM   1237 C CA  D VAL   B 2 117 ? -10.185 -5.720  -22.325 0.25 56.34  ? 126 VAL   B CA  1 
ATOM   1238 C C   A VAL   B 2 117 ? -9.026  -4.809  -22.591 0.25 58.55  ? 126 VAL   B C   1 
ATOM   1239 C C   B VAL   B 2 117 ? -8.992  -4.789  -22.569 0.25 57.59  ? 126 VAL   B C   1 
ATOM   1240 C C   C VAL   B 2 117 ? -9.026  -4.809  -22.591 0.25 58.55  ? 126 VAL   B C   1 
ATOM   1241 C C   D VAL   B 2 117 ? -8.992  -4.789  -22.569 0.25 57.59  ? 126 VAL   B C   1 
ATOM   1242 O O   A VAL   B 2 117 ? -8.858  -3.920  -21.733 0.25 55.77  ? 126 VAL   B O   1 
ATOM   1243 O O   B VAL   B 2 117 ? -8.759  -3.908  -21.716 0.25 54.96  ? 126 VAL   B O   1 
ATOM   1244 O O   C VAL   B 2 117 ? -8.858  -3.920  -21.733 0.25 55.77  ? 126 VAL   B O   1 
ATOM   1245 O O   D VAL   B 2 117 ? -8.759  -3.908  -21.716 0.25 54.96  ? 126 VAL   B O   1 
ATOM   1246 C CB  A VAL   B 2 117 ? -11.553 -5.173  -22.656 0.25 58.34  ? 126 VAL   B CB  1 
ATOM   1247 C CB  B VAL   B 2 117 ? -11.520 -4.956  -22.366 0.25 55.55  ? 126 VAL   B CB  1 
ATOM   1248 C CB  C VAL   B 2 117 ? -11.553 -5.173  -22.656 0.25 58.34  ? 126 VAL   B CB  1 
ATOM   1249 C CB  D VAL   B 2 117 ? -11.520 -4.956  -22.366 0.25 55.55  ? 126 VAL   B CB  1 
ATOM   1250 C CG1 A VAL   B 2 117 ? -12.644 -6.230  -22.678 0.25 59.58  ? 126 VAL   B CG1 1 
ATOM   1251 C CG1 B VAL   B 2 117 ? -11.435 -3.718  -23.238 0.25 54.34  ? 126 VAL   B CG1 1 
ATOM   1252 C CG1 C VAL   B 2 117 ? -12.644 -6.230  -22.678 0.25 59.58  ? 126 VAL   B CG1 1 
ATOM   1253 C CG1 D VAL   B 2 117 ? -11.435 -3.718  -23.238 0.25 54.34  ? 126 VAL   B CG1 1 
ATOM   1254 C CG2 A VAL   B 2 117 ? -11.879 -4.082  -21.649 0.25 59.10  ? 126 VAL   B CG2 1 
ATOM   1255 C CG2 B VAL   B 2 117 ? -12.663 -5.858  -22.799 0.25 56.68  ? 126 VAL   B CG2 1 
ATOM   1256 C CG2 C VAL   B 2 117 ? -11.879 -4.082  -21.649 0.25 59.10  ? 126 VAL   B CG2 1 
ATOM   1257 C CG2 D VAL   B 2 117 ? -12.663 -5.858  -22.799 0.25 56.68  ? 126 VAL   B CG2 1 
ATOM   1258 N N   . ALA   B 2 118 ? -8.261  -4.986  -23.673 1.00 57.72  ? 127 ALA   B N   1 
ATOM   1259 C CA  . ALA   B 2 118 ? -7.080  -4.156  -24.022 1.00 68.56  ? 127 ALA   B CA  1 
ATOM   1260 C C   . ALA   B 2 118 ? -7.542  -3.092  -25.018 1.00 75.17  ? 127 ALA   B C   1 
ATOM   1261 O O   . ALA   B 2 118 ? -7.393  -3.295  -26.240 1.00 76.78  ? 127 ALA   B O   1 
ATOM   1262 C CB  . ALA   B 2 118 ? -5.966  -5.016  -24.578 1.00 69.17  ? 127 ALA   B CB  1 
ATOM   1263 N N   . LEU   B 2 119 ? -8.197  -2.063  -24.488 1.00 68.52  ? 128 LEU   B N   1 
ATOM   1264 C CA  . LEU   B 2 119 ? -8.732  -0.903  -25.235 1.00 59.38  ? 128 LEU   B CA  1 
ATOM   1265 C C   . LEU   B 2 119 ? -8.359  0.322   -24.411 1.00 58.19  ? 128 LEU   B C   1 
ATOM   1266 O O   . LEU   B 2 119 ? -8.480  0.259   -23.189 1.00 65.38  ? 128 LEU   B O   1 
ATOM   1267 C CB  . LEU   B 2 119 ? -10.243 -1.069  -25.400 1.00 57.92  ? 128 LEU   B CB  1 
ATOM   1268 C CG  . LEU   B 2 119 ? -10.694 -2.279  -26.221 1.00 60.12  ? 128 LEU   B CG  1 
ATOM   1269 C CD1 . LEU   B 2 119 ? -12.207 -2.451  -26.158 1.00 54.89  ? 128 LEU   B CD1 1 
ATOM   1270 C CD2 . LEU   B 2 119 ? -10.246 -2.160  -27.671 1.00 64.87  ? 128 LEU   B CD2 1 
ATOM   1271 N N   . ASP   B 2 120 ? -7.815  1.351   -25.040 1.00 60.36  ? 129 ASP   B N   1 
ATOM   1272 C CA  . ASP   B 2 120 ? -7.269  2.520   -24.316 1.00 65.33  ? 129 ASP   B CA  1 
ATOM   1273 C C   . ASP   B 2 120 ? -8.188  3.702   -24.625 1.00 61.52  ? 129 ASP   B C   1 
ATOM   1274 O O   . ASP   B 2 120 ? -8.468  3.906   -25.794 1.00 71.62  ? 129 ASP   B O   1 
ATOM   1275 C CB  . ASP   B 2 120 ? -5.797  2.717   -24.670 1.00 67.07  ? 129 ASP   B CB  1 
ATOM   1276 C CG  . ASP   B 2 120 ? -5.109  3.738   -23.772 1.00 78.21  ? 129 ASP   B CG  1 
ATOM   1277 O OD1 . ASP   B 2 120 ? -5.820  4.658   -23.266 1.00 73.63  ? 129 ASP   B OD1 1 
ATOM   1278 O OD2 . ASP   B 2 120 ? -3.872  3.610   -23.579 1.00 75.04  ? 129 ASP   B OD2 1 
ATOM   1279 N N   . TYR   B 2 121 ? -8.689  4.399   -23.603 1.00 61.94  ? 130 TYR   B N   1 
ATOM   1280 C CA  . TYR   B 2 121 ? -9.631  5.545   -23.733 1.00 59.47  ? 130 TYR   B CA  1 
ATOM   1281 C C   . TYR   B 2 121 ? -9.431  6.488   -22.562 1.00 61.11  ? 130 TYR   B C   1 
ATOM   1282 O O   . TYR   B 2 121 ? -8.859  6.101   -21.545 1.00 61.07  ? 130 TYR   B O   1 
ATOM   1283 C CB  . TYR   B 2 121 ? -11.082 5.074   -23.744 1.00 63.55  ? 130 TYR   B CB  1 
ATOM   1284 C CG  . TYR   B 2 121 ? -11.540 4.484   -25.050 1.00 74.63  ? 130 TYR   B CG  1 
ATOM   1285 C CD1 . TYR   B 2 121 ? -11.874 5.300   -26.117 1.00 76.57  ? 130 TYR   B CD1 1 
ATOM   1286 C CD2 . TYR   B 2 121 ? -11.641 3.111   -25.225 1.00 84.16  ? 130 TYR   B CD2 1 
ATOM   1287 C CE1 . TYR   B 2 121 ? -12.296 4.768   -27.325 1.00 77.03  ? 130 TYR   B CE1 1 
ATOM   1288 C CE2 . TYR   B 2 121 ? -12.069 2.562   -26.424 1.00 83.23  ? 130 TYR   B CE2 1 
ATOM   1289 C CZ  . TYR   B 2 121 ? -12.394 3.396   -27.481 1.00 80.01  ? 130 TYR   B CZ  1 
ATOM   1290 O OH  . TYR   B 2 121 ? -12.812 2.883   -28.677 1.00 83.34  ? 130 TYR   B OH  1 
ATOM   1291 N N   . PRO   B 2 122 ? -9.917  7.744   -22.638 1.00 60.10  ? 131 PRO   B N   1 
ATOM   1292 C CA  . PRO   B 2 122 ? -9.685  8.684   -21.548 1.00 58.97  ? 131 PRO   B CA  1 
ATOM   1293 C C   . PRO   B 2 122 ? -10.352 8.122   -20.280 1.00 58.20  ? 131 PRO   B C   1 
ATOM   1294 O O   . PRO   B 2 122 ? -11.326 7.360   -20.395 1.00 58.52  ? 131 PRO   B O   1 
ATOM   1295 C CB  . PRO   B 2 122 ? -10.274 10.009  -22.067 1.00 63.57  ? 131 PRO   B CB  1 
ATOM   1296 C CG  . PRO   B 2 122 ? -10.407 9.822   -23.572 1.00 62.73  ? 131 PRO   B CG  1 
ATOM   1297 C CD  . PRO   B 2 122 ? -10.672 8.338   -23.754 1.00 65.27  ? 131 PRO   B CD  1 
ATOM   1298 N N   . ALA   B 2 123 ? -9.807  8.482   -19.118 1.00 52.29  ? 132 ALA   B N   1 
ATOM   1299 C CA  . ALA   B 2 123 ? -10.271 8.053   -17.779 1.00 55.21  ? 132 ALA   B CA  1 
ATOM   1300 C C   . ALA   B 2 123 ? -11.738 8.448   -17.555 1.00 60.97  ? 132 ALA   B C   1 
ATOM   1301 O O   . ALA   B 2 123 ? -12.470 7.682   -16.851 1.00 50.83  ? 132 ALA   B O   1 
ATOM   1302 C CB  . ALA   B 2 123 ? -9.379  8.634   -16.734 1.00 56.94  ? 132 ALA   B CB  1 
ATOM   1303 N N   . GLY   B 2 124 ? -12.177 9.553   -18.169 1.00 54.51  ? 133 GLY   B N   1 
ATOM   1304 C CA  . GLY   B 2 124 ? -13.590 9.976   -18.150 1.00 51.42  ? 133 GLY   B CA  1 
ATOM   1305 C C   . GLY   B 2 124 ? -14.502 8.928   -18.773 1.00 52.47  ? 133 GLY   B C   1 
ATOM   1306 O O   . GLY   B 2 124 ? -15.750 9.096   -18.677 1.00 52.07  ? 133 GLY   B O   1 
ATOM   1307 N N   . THR   B 2 125 ? -13.933 7.907   -19.431 1.00 44.18  ? 134 THR   B N   1 
ATOM   1308 C CA  . THR   B 2 125 ? -14.716 6.811   -20.057 1.00 48.91  ? 134 THR   B CA  1 
ATOM   1309 C C   . THR   B 2 125 ? -15.052 5.759   -18.992 1.00 48.60  ? 134 THR   B C   1 
ATOM   1310 O O   . THR   B 2 125 ? -15.954 4.933   -19.267 1.00 45.54  ? 134 THR   B O   1 
ATOM   1311 C CB  . THR   B 2 125 ? -14.020 6.245   -21.307 1.00 54.14  ? 134 THR   B CB  1 
ATOM   1312 O OG1 . THR   B 2 125 ? -13.555 7.329   -22.110 1.00 50.99  ? 134 THR   B OG1 1 
ATOM   1313 C CG2 . THR   B 2 125 ? -14.943 5.422   -22.175 1.00 46.72  ? 134 THR   B CG2 1 
ATOM   1314 N N   . SER   B 2 126 ? -14.375 5.801   -17.831 1.00 51.38  ? 135 SER   B N   1 
ATOM   1315 C CA  . SER   B 2 126 ? -14.600 4.880   -16.679 1.00 51.29  ? 135 SER   B CA  1 
ATOM   1316 C C   . SER   B 2 126 ? -16.102 4.714   -16.429 1.00 52.37  ? 135 SER   B C   1 
ATOM   1317 O O   . SER   B 2 126 ? -16.757 5.736   -16.196 1.00 50.11  ? 135 SER   B O   1 
ATOM   1318 C CB  . SER   B 2 126 ? -13.938 5.370   -15.439 1.00 54.10  ? 135 SER   B CB  1 
ATOM   1319 O OG  . SER   B 2 126 ? -12.552 5.105   -15.471 1.00 53.65  ? 135 SER   B OG  1 
ATOM   1320 N N   . GLY   B 2 127 ? -16.602 3.476   -16.446 1.00 48.18  ? 136 GLY   B N   1 
ATOM   1321 C CA  . GLY   B 2 127 ? -18.000 3.149   -16.134 1.00 46.85  ? 136 GLY   B CA  1 
ATOM   1322 C C   . GLY   B 2 127 ? -18.750 2.630   -17.337 1.00 46.22  ? 136 GLY   B C   1 
ATOM   1323 O O   . GLY   B 2 127 ? -19.841 2.070   -17.126 1.00 49.15  ? 136 GLY   B O   1 
ATOM   1324 N N   . SER   B 2 128 ? -18.198 2.788   -18.546 1.00 47.68  ? 137 SER   B N   1 
ATOM   1325 C CA  . SER   B 2 128 ? -18.782 2.287   -19.815 1.00 47.68  ? 137 SER   B CA  1 
ATOM   1326 C C   . SER   B 2 128 ? -18.950 0.780   -19.729 1.00 49.10  ? 137 SER   B C   1 
ATOM   1327 O O   . SER   B 2 128 ? -18.020 0.081   -19.351 1.00 48.71  ? 137 SER   B O   1 
ATOM   1328 C CB  . SER   B 2 128 ? -17.926 2.629   -21.015 1.00 49.34  ? 137 SER   B CB  1 
ATOM   1329 O OG  . SER   B 2 128 ? -17.641 4.009   -21.057 1.00 50.95  ? 137 SER   B OG  1 
ATOM   1330 N N   . PRO   B 2 129 ? -20.119 0.243   -20.125 1.00 45.16  ? 138 PRO   B N   1 
ATOM   1331 C CA  . PRO   B 2 129 ? -20.380 -1.181  -20.018 1.00 44.06  ? 138 PRO   B CA  1 
ATOM   1332 C C   . PRO   B 2 129 ? -19.764 -2.029  -21.133 1.00 46.36  ? 138 PRO   B C   1 
ATOM   1333 O O   . PRO   B 2 129 ? -19.550 -1.527  -22.216 1.00 50.92  ? 138 PRO   B O   1 
ATOM   1334 C CB  . PRO   B 2 129 ? -21.916 -1.245  -20.153 1.00 43.92  ? 138 PRO   B CB  1 
ATOM   1335 C CG  . PRO   B 2 129 ? -22.273 -0.083  -21.053 1.00 41.67  ? 138 PRO   B CG  1 
ATOM   1336 C CD  . PRO   B 2 129 ? -21.266 0.983   -20.684 1.00 45.53  ? 138 PRO   B CD  1 
ATOM   1337 N N   . ILE   B 2 130 ? -19.588 -3.323  -20.843 1.00 47.51  ? 139 ILE   B N   1 
ATOM   1338 C CA  . ILE   B 2 130 ? -19.091 -4.372  -21.770 1.00 44.40  ? 139 ILE   B CA  1 
ATOM   1339 C C   . ILE   B 2 130 ? -20.233 -5.372  -21.899 1.00 44.62  ? 139 ILE   B C   1 
ATOM   1340 O O   . ILE   B 2 130 ? -20.778 -5.702  -20.831 1.00 41.90  ? 139 ILE   B O   1 
ATOM   1341 C CB  . ILE   B 2 130 ? -17.821 -5.009  -21.179 1.00 48.17  ? 139 ILE   B CB  1 
ATOM   1342 C CG1 . ILE   B 2 130 ? -16.703 -3.987  -20.997 1.00 47.33  ? 139 ILE   B CG1 1 
ATOM   1343 C CG2 . ILE   B 2 130 ? -17.338 -6.197  -21.988 1.00 48.64  ? 139 ILE   B CG2 1 
ATOM   1344 C CD1 . ILE   B 2 130 ? -15.819 -4.340  -19.848 1.00 51.39  ? 139 ILE   B CD1 1 
ATOM   1345 N N   . LEU   B 2 131 ? -20.565 -5.793  -23.131 1.00 48.14  ? 140 LEU   B N   1 
ATOM   1346 C CA  . LEU   B 2 131 ? -21.778 -6.590  -23.481 1.00 53.08  ? 140 LEU   B CA  1 
ATOM   1347 C C   . LEU   B 2 131 ? -21.410 -7.942  -24.089 1.00 52.69  ? 140 LEU   B C   1 
ATOM   1348 O O   . LEU   B 2 131 ? -20.374 -8.033  -24.765 1.00 59.45  ? 140 LEU   B O   1 
ATOM   1349 C CB  . LEU   B 2 131 ? -22.604 -5.824  -24.517 1.00 62.05  ? 140 LEU   B CB  1 
ATOM   1350 C CG  . LEU   B 2 131 ? -22.864 -4.359  -24.196 1.00 63.28  ? 140 LEU   B CG  1 
ATOM   1351 C CD1 . LEU   B 2 131 ? -23.709 -3.717  -25.293 1.00 69.24  ? 140 LEU   B CD1 1 
ATOM   1352 C CD2 . LEU   B 2 131 ? -23.535 -4.237  -22.833 1.00 61.77  ? 140 LEU   B CD2 1 
ATOM   1353 N N   . ASP   B 2 132 ? -22.284 -8.923  -23.884 1.00 57.55  ? 141 ASP   B N   1 
ATOM   1354 C CA  . ASP   B 2 132 ? -22.300 -10.221 -24.601 1.00 63.71  ? 141 ASP   B CA  1 
ATOM   1355 C C   . ASP   B 2 132 ? -23.173 -10.059 -25.850 1.00 70.57  ? 141 ASP   B C   1 
ATOM   1356 O O   . ASP   B 2 132 ? -23.751 -8.963  -26.041 1.00 73.01  ? 141 ASP   B O   1 
ATOM   1357 C CB  . ASP   B 2 132 ? -22.777 -11.354 -23.686 1.00 58.16  ? 141 ASP   B CB  1 
ATOM   1358 C CG  . ASP   B 2 132 ? -24.214 -11.239 -23.221 1.00 58.55  ? 141 ASP   B CG  1 
ATOM   1359 O OD1 . ASP   B 2 132 ? -25.017 -10.653 -23.940 1.00 61.07  ? 141 ASP   B OD1 1 
ATOM   1360 O OD2 . ASP   B 2 132 ? -24.513 -11.740 -22.133 1.00 69.15  ? 141 ASP   B OD2 1 
ATOM   1361 N N   . LYS   B 2 133 ? -23.292 -11.121 -26.646 1.00 75.33  ? 142 LYS   B N   1 
ATOM   1362 C CA  . LYS   B 2 133 ? -23.911 -11.082 -27.999 1.00 81.93  ? 142 LYS   B CA  1 
ATOM   1363 C C   . LYS   B 2 133 ? -25.418 -10.864 -27.844 1.00 77.17  ? 142 LYS   B C   1 
ATOM   1364 O O   . LYS   B 2 133 ? -26.051 -10.431 -28.820 1.00 78.77  ? 142 LYS   B O   1 
ATOM   1365 C CB  . LYS   B 2 133 ? -23.539 -12.345 -28.788 1.00 85.67  ? 142 LYS   B CB  1 
ATOM   1366 C CG  . LYS   B 2 133 ? -22.146 -12.293 -29.412 1.00 93.26  ? 142 LYS   B CG  1 
ATOM   1367 C CD  . LYS   B 2 133 ? -21.468 -13.637 -29.633 1.00 96.46  ? 142 LYS   B CD  1 
ATOM   1368 C CE  . LYS   B 2 133 ? -20.035 -13.476 -30.112 1.00 104.11 ? 142 LYS   B CE  1 
ATOM   1369 N NZ  . LYS   B 2 133 ? -19.374 -14.769 -30.423 1.00 106.89 ? 142 LYS   B NZ  1 
ATOM   1370 N N   . CYS   B 2 134 ? -25.955 -11.120 -26.650 1.00 70.72  ? 143 CYS   B N   1 
ATOM   1371 C CA  . CYS   B 2 134 ? -27.385 -10.911 -26.315 1.00 70.29  ? 143 CYS   B CA  1 
ATOM   1372 C C   . CYS   B 2 134 ? -27.632 -9.495  -25.762 1.00 61.28  ? 143 CYS   B C   1 
ATOM   1373 O O   . CYS   B 2 134 ? -28.759 -9.235  -25.343 1.00 61.72  ? 143 CYS   B O   1 
ATOM   1374 C CB  . CYS   B 2 134 ? -27.843 -11.967 -25.324 1.00 73.57  ? 143 CYS   B CB  1 
ATOM   1375 S SG  . CYS   B 2 134 ? -28.241 -13.543 -26.113 1.00 83.53  ? 143 CYS   B SG  1 
ATOM   1376 N N   . GLY   B 2 135 ? -26.635 -8.607  -25.778 1.00 59.18  ? 144 GLY   B N   1 
ATOM   1377 C CA  . GLY   B 2 135 ? -26.763 -7.220  -25.282 1.00 65.96  ? 144 GLY   B CA  1 
ATOM   1378 C C   . GLY   B 2 135 ? -26.801 -7.083  -23.755 1.00 61.81  ? 144 GLY   B C   1 
ATOM   1379 O O   . GLY   B 2 135 ? -27.020 -5.942  -23.267 1.00 61.01  ? 144 GLY   B O   1 
ATOM   1380 N N   . ARG   B 2 136 ? -26.567 -8.160  -23.001 1.00 60.79  ? 145 ARG   B N   1 
ATOM   1381 C CA  . ARG   B 2 136 ? -26.535 -8.115  -21.512 1.00 59.65  ? 145 ARG   B CA  1 
ATOM   1382 C C   . ARG   B 2 136 ? -25.197 -7.554  -21.035 1.00 56.15  ? 145 ARG   B C   1 
ATOM   1383 O O   . ARG   B 2 136 ? -24.170 -7.815  -21.705 1.00 57.65  ? 145 ARG   B O   1 
ATOM   1384 C CB  . ARG   B 2 136 ? -26.767 -9.505  -20.950 1.00 60.69  ? 145 ARG   B CB  1 
ATOM   1385 C CG  . ARG   B 2 136 ? -28.183 -10.002 -21.172 1.00 65.42  ? 145 ARG   B CG  1 
ATOM   1386 C CD  . ARG   B 2 136 ? -28.254 -11.453 -20.776 1.00 74.16  ? 145 ARG   B CD  1 
ATOM   1387 N NE  . ARG   B 2 136 ? -27.386 -12.217 -21.663 1.00 88.45  ? 145 ARG   B NE  1 
ATOM   1388 C CZ  . ARG   B 2 136 ? -26.916 -13.434 -21.423 1.00 87.86  ? 145 ARG   B CZ  1 
ATOM   1389 N NH1 . ARG   B 2 136 ? -27.192 -14.061 -20.287 1.00 82.90  ? 145 ARG   B NH1 1 
ATOM   1390 N NH2 . ARG   B 2 136 ? -26.147 -14.009 -22.330 1.00 93.05  ? 145 ARG   B NH2 1 
ATOM   1391 N N   . VAL   B 2 137 ? -25.207 -6.794  -19.936 1.00 50.88  ? 146 VAL   B N   1 
ATOM   1392 C CA  . VAL   B 2 137 ? -23.974 -6.149  -19.386 1.00 51.65  ? 146 VAL   B CA  1 
ATOM   1393 C C   . VAL   B 2 137 ? -23.224 -7.204  -18.560 1.00 54.31  ? 146 VAL   B C   1 
ATOM   1394 O O   . VAL   B 2 137 ? -23.767 -7.676  -17.545 1.00 53.30  ? 146 VAL   B O   1 
ATOM   1395 C CB  . VAL   B 2 137 ? -24.280 -4.896  -18.546 1.00 49.76  ? 146 VAL   B CB  1 
ATOM   1396 C CG1 . VAL   B 2 137 ? -23.007 -4.136  -18.199 1.00 49.89  ? 146 VAL   B CG1 1 
ATOM   1397 C CG2 . VAL   B 2 137 ? -25.279 -3.968  -19.233 1.00 55.79  ? 146 VAL   B CG2 1 
ATOM   1398 N N   . ILE   B 2 138 ? -22.022 -7.564  -18.986 1.00 49.61  ? 147 ILE   B N   1 
ATOM   1399 C CA  . ILE   B 2 138 ? -21.156 -8.544  -18.262 1.00 54.54  ? 147 ILE   B CA  1 
ATOM   1400 C C   . ILE   B 2 138 ? -20.129 -7.799  -17.382 1.00 51.07  ? 147 ILE   B C   1 
ATOM   1401 O O   . ILE   B 2 138 ? -19.403 -8.486  -16.634 1.00 45.12  ? 147 ILE   B O   1 
ATOM   1402 C CB  . ILE   B 2 138 ? -20.483 -9.507  -19.266 1.00 50.08  ? 147 ILE   B CB  1 
ATOM   1403 C CG1 . ILE   B 2 138 ? -19.680 -8.751  -20.323 1.00 48.44  ? 147 ILE   B CG1 1 
ATOM   1404 C CG2 . ILE   B 2 138 ? -21.503 -10.427 -19.911 1.00 46.30  ? 147 ILE   B CG2 1 
ATOM   1405 C CD1 . ILE   B 2 138 ? -18.614 -9.589  -20.964 1.00 58.64  ? 147 ILE   B CD1 1 
ATOM   1406 N N   . GLY   B 2 139 ? -20.063 -6.460  -17.428 1.00 43.91  ? 148 GLY   B N   1 
ATOM   1407 C CA  . GLY   B 2 139 ? -19.245 -5.704  -16.453 1.00 41.15  ? 148 GLY   B CA  1 
ATOM   1408 C C   . GLY   B 2 139 ? -18.928 -4.289  -16.883 1.00 40.65  ? 148 GLY   B C   1 
ATOM   1409 O O   . GLY   B 2 139 ? -19.333 -3.932  -17.986 1.00 44.36  ? 148 GLY   B O   1 
ATOM   1410 N N   . LEU   B 2 140 ? -18.174 -3.525  -16.080 1.00 45.02  ? 149 LEU   B N   1 
ATOM   1411 C CA  . LEU   B 2 140 ? -17.831 -2.115  -16.411 1.00 45.89  ? 149 LEU   B CA  1 
ATOM   1412 C C   . LEU   B 2 140 ? -16.327 -1.966  -16.625 1.00 53.91  ? 149 LEU   B C   1 
ATOM   1413 O O   . LEU   B 2 140 ? -15.531 -2.740  -16.019 1.00 52.79  ? 149 LEU   B O   1 
ATOM   1414 C CB  . LEU   B 2 140 ? -18.285 -1.162  -15.299 1.00 48.48  ? 149 LEU   B CB  1 
ATOM   1415 C CG  . LEU   B 2 140 ? -19.769 -1.207  -14.914 1.00 46.51  ? 149 LEU   B CG  1 
ATOM   1416 C CD1 . LEU   B 2 140 ? -20.089 -0.061  -13.967 1.00 48.94  ? 149 LEU   B CD1 1 
ATOM   1417 C CD2 . LEU   B 2 140 ? -20.664 -1.166  -16.141 1.00 49.23  ? 149 LEU   B CD2 1 
ATOM   1418 N N   . TYR   B 2 141 ? -15.993 -0.943  -17.413 1.00 52.31  ? 150 TYR   B N   1 
ATOM   1419 C CA  . TYR   B 2 141 ? -14.648 -0.602  -17.929 1.00 50.02  ? 150 TYR   B CA  1 
ATOM   1420 C C   . TYR   B 2 141 ? -14.089 0.504   -17.053 1.00 53.06  ? 150 TYR   B C   1 
ATOM   1421 O O   . TYR   B 2 141 ? -14.865 1.416   -16.726 1.00 53.39  ? 150 TYR   B O   1 
ATOM   1422 C CB  . TYR   B 2 141 ? -14.748 -0.164  -19.400 1.00 56.99  ? 150 TYR   B CB  1 
ATOM   1423 C CG  . TYR   B 2 141 ? -13.491 0.432   -19.996 1.00 57.66  ? 150 TYR   B CG  1 
ATOM   1424 C CD1 . TYR   B 2 141 ? -13.297 1.806   -20.033 1.00 53.32  ? 150 TYR   B CD1 1 
ATOM   1425 C CD2 . TYR   B 2 141 ? -12.482 -0.377  -20.510 1.00 55.57  ? 150 TYR   B CD2 1 
ATOM   1426 C CE1 . TYR   B 2 141 ? -12.142 2.358   -20.568 1.00 65.72  ? 150 TYR   B CE1 1 
ATOM   1427 C CE2 . TYR   B 2 141 ? -11.327 0.159   -21.061 1.00 53.96  ? 150 TYR   B CE2 1 
ATOM   1428 C CZ  . TYR   B 2 141 ? -11.153 1.534   -21.098 1.00 64.59  ? 150 TYR   B CZ  1 
ATOM   1429 O OH  . TYR   B 2 141 ? -10.018 2.083   -21.644 1.00 59.51  ? 150 TYR   B OH  1 
ATOM   1430 N N   . GLY   B 2 142 ? -12.805 0.423   -16.693 1.00 53.87  ? 151 GLY   B N   1 
ATOM   1431 C CA  . GLY   B 2 142 ? -12.067 1.568   -16.124 1.00 55.21  ? 151 GLY   B CA  1 
ATOM   1432 C C   . GLY   B 2 142 ? -11.336 1.265   -14.824 1.00 57.30  ? 151 GLY   B C   1 
ATOM   1433 O O   . GLY   B 2 142 ? -10.833 2.232   -14.216 1.00 56.30  ? 151 GLY   B O   1 
ATOM   1434 N N   . ASN   B 2 143 ? -11.270 0.002   -14.384 1.00 51.33  ? 152 ASN   B N   1 
ATOM   1435 C CA  . ASN   B 2 143 ? -10.314 -0.408  -13.319 1.00 54.05  ? 152 ASN   B CA  1 
ATOM   1436 C C   . ASN   B 2 143 ? -9.335  -1.440  -13.887 1.00 51.48  ? 152 ASN   B C   1 
ATOM   1437 O O   . ASN   B 2 143 ? -9.745  -2.588  -14.187 1.00 47.19  ? 152 ASN   B O   1 
ATOM   1438 C CB  . ASN   B 2 143 ? -11.001 -0.969  -12.071 1.00 55.92  ? 152 ASN   B CB  1 
ATOM   1439 C CG  . ASN   B 2 143 ? -10.067 -1.079  -10.881 1.00 54.77  ? 152 ASN   B CG  1 
ATOM   1440 O OD1 . ASN   B 2 143 ? -9.132  -0.287  -10.717 1.00 53.31  ? 152 ASN   B OD1 1 
ATOM   1441 N ND2 . ASN   B 2 143 ? -10.344 -2.038  -10.018 1.00 50.20  ? 152 ASN   B ND2 1 
ATOM   1442 N N   . GLY   B 2 144 ? -8.087  -1.030  -14.055 1.00 48.95  ? 153 GLY   B N   1 
ATOM   1443 C CA  . GLY   B 2 144 ? -7.046  -1.908  -14.609 1.00 55.61  ? 153 GLY   B CA  1 
ATOM   1444 C C   . GLY   B 2 144 ? -5.652  -1.348  -14.407 1.00 60.39  ? 153 GLY   B C   1 
ATOM   1445 O O   . GLY   B 2 144 ? -5.415  -0.660  -13.392 1.00 62.31  ? 153 GLY   B O   1 
ATOM   1446 N N   . VAL   B 2 145 ? -4.761  -1.627  -15.355 1.00 62.53  ? 154 VAL   B N   1 
ATOM   1447 C CA  . VAL   B 2 145 ? -3.292  -1.520  -15.150 1.00 63.74  ? 154 VAL   B CA  1 
ATOM   1448 C C   . VAL   B 2 145 ? -2.657  -1.000  -16.446 1.00 69.12  ? 154 VAL   B C   1 
ATOM   1449 O O   . VAL   B 2 145 ? -3.281  -1.170  -17.537 1.00 68.42  ? 154 VAL   B O   1 
ATOM   1450 C CB  . VAL   B 2 145 ? -2.752  -2.888  -14.673 1.00 68.31  ? 154 VAL   B CB  1 
ATOM   1451 C CG1 . VAL   B 2 145 ? -2.836  -3.977  -15.737 1.00 66.43  ? 154 VAL   B CG1 1 
ATOM   1452 C CG2 . VAL   B 2 145 ? -1.346  -2.781  -14.115 1.00 76.43  ? 154 VAL   B CG2 1 
ATOM   1453 N N   . VAL   B 2 146 ? -1.503  -0.333  -16.317 1.00 66.91  ? 155 VAL   B N   1 
ATOM   1454 C CA  . VAL   B 2 146 ? -0.643  0.113   -17.452 1.00 69.03  ? 155 VAL   B CA  1 
ATOM   1455 C C   . VAL   B 2 146 ? 0.474   -0.926  -17.625 1.00 74.37  ? 155 VAL   B C   1 
ATOM   1456 O O   . VAL   B 2 146 ? 1.097   -1.287  -16.601 1.00 74.47  ? 155 VAL   B O   1 
ATOM   1457 C CB  . VAL   B 2 146 ? -0.122  1.543   -17.207 1.00 69.73  ? 155 VAL   B CB  1 
ATOM   1458 C CG1 . VAL   B 2 146 ? 0.757   2.035   -18.341 1.00 78.51  ? 155 VAL   B CG1 1 
ATOM   1459 C CG2 . VAL   B 2 146 ? -1.269  2.515   -16.995 1.00 66.80  ? 155 VAL   B CG2 1 
ATOM   1460 N N   . ILE   B 2 147 ? 0.681   -1.433  -18.850 1.00 80.07  ? 156 ILE   B N   1 
ATOM   1461 C CA  . ILE   B 2 147 ? 1.554   -2.622  -19.118 1.00 84.24  ? 156 ILE   B CA  1 
ATOM   1462 C C   . ILE   B 2 147 ? 2.887   -2.142  -19.701 1.00 86.50  ? 156 ILE   B C   1 
ATOM   1463 O O   . ILE   B 2 147 ? 3.020   -0.939  -19.979 1.00 78.61  ? 156 ILE   B O   1 
ATOM   1464 C CB  . ILE   B 2 147 ? 0.846   -3.681  -19.997 1.00 89.23  ? 156 ILE   B CB  1 
ATOM   1465 C CG1 . ILE   B 2 147 ? 0.221   -3.102  -21.270 1.00 91.09  ? 156 ILE   B CG1 1 
ATOM   1466 C CG2 . ILE   B 2 147 ? -0.173  -4.452  -19.172 1.00 87.81  ? 156 ILE   B CG2 1 
ATOM   1467 C CD1 . ILE   B 2 147 ? -0.118  -4.148  -22.314 1.00 84.25  ? 156 ILE   B CD1 1 
ATOM   1468 N N   A LYS   B 2 148 ? 3.844   -3.068  -19.854 0.25 89.10  ? 157 LYS   B N   1 
ATOM   1469 N N   B LYS   B 2 148 ? 3.844   -3.068  -19.854 0.25 89.10  ? 157 LYS   B N   1 
ATOM   1470 N N   C LYS   B 2 148 ? 3.837   -3.069  -19.876 0.25 90.73  ? 157 LYS   B N   1 
ATOM   1471 N N   D LYS   B 2 148 ? 3.837   -3.069  -19.876 0.25 90.73  ? 157 LYS   B N   1 
ATOM   1472 C CA  A LYS   B 2 148 ? 5.224   -2.817  -20.361 0.25 91.97  ? 157 LYS   B CA  1 
ATOM   1473 C CA  B LYS   B 2 148 ? 5.224   -2.817  -20.361 0.25 91.97  ? 157 LYS   B CA  1 
ATOM   1474 C CA  C LYS   B 2 148 ? 5.227   -2.803  -20.341 0.25 94.69  ? 157 LYS   B CA  1 
ATOM   1475 C CA  D LYS   B 2 148 ? 5.227   -2.803  -20.341 0.25 94.69  ? 157 LYS   B CA  1 
ATOM   1476 C C   A LYS   B 2 148 ? 5.205   -1.731  -21.442 0.25 92.55  ? 157 LYS   B C   1 
ATOM   1477 C C   B LYS   B 2 148 ? 5.205   -1.731  -21.442 0.25 92.55  ? 157 LYS   B C   1 
ATOM   1478 C C   C LYS   B 2 148 ? 5.232   -1.758  -21.466 0.25 94.19  ? 157 LYS   B C   1 
ATOM   1479 C C   D LYS   B 2 148 ? 5.232   -1.758  -21.466 0.25 94.19  ? 157 LYS   B C   1 
ATOM   1480 O O   A LYS   B 2 148 ? 6.056   -0.822  -21.375 0.25 98.66  ? 157 LYS   B O   1 
ATOM   1481 O O   B LYS   B 2 148 ? 6.056   -0.822  -21.375 0.25 98.66  ? 157 LYS   B O   1 
ATOM   1482 O O   C LYS   B 2 148 ? 6.137   -0.901  -21.457 0.25 100.55 ? 157 LYS   B O   1 
ATOM   1483 O O   D LYS   B 2 148 ? 6.137   -0.901  -21.457 0.25 100.55 ? 157 LYS   B O   1 
ATOM   1484 C CB  A LYS   B 2 148 ? 5.834   -4.098  -20.938 0.25 92.69  ? 157 LYS   B CB  1 
ATOM   1485 C CB  B LYS   B 2 148 ? 5.834   -4.098  -20.938 0.25 92.69  ? 157 LYS   B CB  1 
ATOM   1486 C CB  C LYS   B 2 148 ? 5.894   -4.105  -20.796 0.25 97.50  ? 157 LYS   B CB  1 
ATOM   1487 C CB  D LYS   B 2 148 ? 5.894   -4.105  -20.796 0.25 97.50  ? 157 LYS   B CB  1 
ATOM   1488 C CG  A LYS   B 2 148 ? 6.490   -5.030  -19.927 0.25 92.13  ? 157 LYS   B CG  1 
ATOM   1489 C CG  B LYS   B 2 148 ? 6.490   -5.030  -19.927 0.25 92.13  ? 157 LYS   B CG  1 
ATOM   1490 C CG  C LYS   B 2 148 ? 4.980   -5.112  -21.484 0.25 99.51  ? 157 LYS   B CG  1 
ATOM   1491 C CG  D LYS   B 2 148 ? 4.980   -5.112  -21.484 0.25 99.51  ? 157 LYS   B CG  1 
ATOM   1492 C CD  A LYS   B 2 148 ? 7.155   -6.234  -20.568 0.25 91.92  ? 157 LYS   B CD  1 
ATOM   1493 C CD  B LYS   B 2 148 ? 7.155   -6.234  -20.568 0.25 91.92  ? 157 LYS   B CD  1 
ATOM   1494 C CD  C LYS   B 2 148 ? 4.107   -5.901  -20.528 0.25 99.82  ? 157 LYS   B CD  1 
ATOM   1495 C CD  D LYS   B 2 148 ? 4.107   -5.901  -20.528 0.25 99.82  ? 157 LYS   B CD  1 
ATOM   1496 C CE  A LYS   B 2 148 ? 8.456   -5.901  -21.268 0.25 91.10  ? 157 LYS   B CE  1 
ATOM   1497 C CE  B LYS   B 2 148 ? 8.456   -5.901  -21.268 0.25 91.10  ? 157 LYS   B CE  1 
ATOM   1498 C CE  C LYS   B 2 148 ? 4.755   -6.126  -19.178 0.25 104.06 ? 157 LYS   B CE  1 
ATOM   1499 C CE  D LYS   B 2 148 ? 4.755   -6.126  -19.178 0.25 104.06 ? 157 LYS   B CE  1 
ATOM   1500 N NZ  A LYS   B 2 148 ? 9.608   -5.941  -20.335 0.25 88.38  ? 157 LYS   B NZ  1 
ATOM   1501 N NZ  B LYS   B 2 148 ? 9.608   -5.941  -20.335 0.25 88.38  ? 157 LYS   B NZ  1 
ATOM   1502 N NZ  C LYS   B 2 148 ? 6.053   -6.831  -19.298 0.25 106.14 ? 157 LYS   B NZ  1 
ATOM   1503 N NZ  D LYS   B 2 148 ? 6.053   -6.831  -19.298 0.25 106.14 ? 157 LYS   B NZ  1 
ATOM   1504 N N   . ASN   B 2 149 ? 4.261   -1.822  -22.385 1.00 92.56  ? 158 ASN   B N   1 
ATOM   1505 C CA  . ASN   B 2 149 ? 4.180   -0.908  -23.563 1.00 92.11  ? 158 ASN   B CA  1 
ATOM   1506 C C   . ASN   B 2 149 ? 3.880   0.536   -23.149 1.00 93.29  ? 158 ASN   B C   1 
ATOM   1507 O O   . ASN   B 2 149 ? 4.239   1.438   -23.923 1.00 97.65  ? 158 ASN   B O   1 
ATOM   1508 C CB  . ASN   B 2 149 ? 3.098   -1.300  -24.577 1.00 94.34  ? 158 ASN   B CB  1 
ATOM   1509 C CG  . ASN   B 2 149 ? 2.822   -2.786  -24.657 1.00 96.67  ? 158 ASN   B CG  1 
ATOM   1510 O OD1 . ASN   B 2 149 ? 3.691   -3.609  -24.369 1.00 104.44 ? 158 ASN   B OD1 1 
ATOM   1511 N ND2 . ASN   B 2 149 ? 1.607   -3.136  -25.041 1.00 95.05  ? 158 ASN   B ND2 1 
ATOM   1512 N N   . GLY   B 2 150 ? 3.201   0.742   -22.016 1.00 96.22  ? 159 GLY   B N   1 
ATOM   1513 C CA  . GLY   B 2 150 ? 2.606   2.041   -21.632 1.00 88.41  ? 159 GLY   B CA  1 
ATOM   1514 C C   . GLY   B 2 150 ? 1.114   2.128   -21.945 1.00 82.99  ? 159 GLY   B C   1 
ATOM   1515 O O   . GLY   B 2 150 ? 0.486   3.153   -21.611 1.00 81.04  ? 159 GLY   B O   1 
ATOM   1516 N N   A SER   B 2 151 ? 0.558   1.082   -22.569 0.25 82.96  ? 160 SER   B N   1 
ATOM   1517 N N   B SER   B 2 151 ? 0.564   1.074   -22.560 0.25 80.55  ? 160 SER   B N   1 
ATOM   1518 N N   C SER   B 2 151 ? 0.558   1.082   -22.569 0.25 82.96  ? 160 SER   B N   1 
ATOM   1519 N N   D SER   B 2 151 ? 0.564   1.074   -22.560 0.25 80.55  ? 160 SER   B N   1 
ATOM   1520 C CA  A SER   B 2 151 ? -0.878  0.968   -22.942 0.25 82.29  ? 160 SER   B CA  1 
ATOM   1521 C CA  B SER   B 2 151 ? -0.867  0.934   -22.937 0.25 78.61  ? 160 SER   B CA  1 
ATOM   1522 C CA  C SER   B 2 151 ? -0.878  0.968   -22.942 0.25 82.29  ? 160 SER   B CA  1 
ATOM   1523 C CA  D SER   B 2 151 ? -0.867  0.934   -22.937 0.25 78.61  ? 160 SER   B CA  1 
ATOM   1524 C C   A SER   B 2 151 ? -1.693  0.523   -21.722 0.25 78.72  ? 160 SER   B C   1 
ATOM   1525 C C   B SER   B 2 151 ? -1.690  0.536   -21.706 0.25 76.59  ? 160 SER   B C   1 
ATOM   1526 C C   C SER   B 2 151 ? -1.693  0.523   -21.722 0.25 78.72  ? 160 SER   B C   1 
ATOM   1527 C C   D SER   B 2 151 ? -1.690  0.536   -21.706 0.25 76.59  ? 160 SER   B C   1 
ATOM   1528 O O   A SER   B 2 151 ? -1.092  -0.036  -20.782 0.25 75.88  ? 160 SER   B O   1 
ATOM   1529 O O   B SER   B 2 151 ? -1.091  0.017   -20.742 0.25 73.84  ? 160 SER   B O   1 
ATOM   1530 O O   C SER   B 2 151 ? -1.092  -0.036  -20.782 0.25 75.88  ? 160 SER   B O   1 
ATOM   1531 O O   D SER   B 2 151 ? -1.091  0.017   -20.742 0.25 73.84  ? 160 SER   B O   1 
ATOM   1532 C CB  A SER   B 2 151 ? -1.063  0.024   -24.105 0.25 82.56  ? 160 SER   B CB  1 
ATOM   1533 C CB  B SER   B 2 151 ? -1.023  -0.072  -24.044 0.25 76.38  ? 160 SER   B CB  1 
ATOM   1534 C CB  C SER   B 2 151 ? -1.063  0.024   -24.105 0.25 82.56  ? 160 SER   B CB  1 
ATOM   1535 C CB  D SER   B 2 151 ? -1.023  -0.072  -24.044 0.25 76.38  ? 160 SER   B CB  1 
ATOM   1536 O OG  A SER   B 2 151 ? -2.423  -0.017  -24.516 0.25 84.16  ? 160 SER   B OG  1 
ATOM   1537 O OG  B SER   B 2 151 ? -0.369  -1.286  -23.708 0.25 72.78  ? 160 SER   B OG  1 
ATOM   1538 O OG  C SER   B 2 151 ? -2.423  -0.017  -24.516 0.25 84.16  ? 160 SER   B OG  1 
ATOM   1539 O OG  D SER   B 2 151 ? -0.369  -1.286  -23.708 0.25 72.78  ? 160 SER   B OG  1 
ATOM   1540 N N   . TYR   B 2 152 ? -3.009  0.759   -21.756 1.00 75.60  ? 161 TYR   B N   1 
ATOM   1541 C CA  . TYR   B 2 152 ? -3.949  0.475   -20.638 1.00 70.43  ? 161 TYR   B CA  1 
ATOM   1542 C C   . TYR   B 2 152 ? -4.718  -0.833  -20.888 1.00 63.03  ? 161 TYR   B C   1 
ATOM   1543 O O   . TYR   B 2 152 ? -5.187  -1.065  -21.985 1.00 55.57  ? 161 TYR   B O   1 
ATOM   1544 C CB  . TYR   B 2 152 ? -4.913  1.658   -20.487 1.00 75.62  ? 161 TYR   B CB  1 
ATOM   1545 C CG  . TYR   B 2 152 ? -5.899  1.516   -19.355 1.00 75.50  ? 161 TYR   B CG  1 
ATOM   1546 C CD1 . TYR   B 2 152 ? -5.528  1.797   -18.048 1.00 76.41  ? 161 TYR   B CD1 1 
ATOM   1547 C CD2 . TYR   B 2 152 ? -7.187  1.064   -19.588 1.00 75.64  ? 161 TYR   B CD2 1 
ATOM   1548 C CE1 . TYR   B 2 152 ? -6.414  1.645   -16.997 1.00 71.43  ? 161 TYR   B CE1 1 
ATOM   1549 C CE2 . TYR   B 2 152 ? -8.087  0.909   -18.550 1.00 78.40  ? 161 TYR   B CE2 1 
ATOM   1550 C CZ  . TYR   B 2 152 ? -7.699  1.198   -17.251 1.00 81.83  ? 161 TYR   B CZ  1 
ATOM   1551 O OH  . TYR   B 2 152 ? -8.580  1.042   -16.222 1.00 82.86  ? 161 TYR   B OH  1 
ATOM   1552 N N   . VAL   B 2 153 ? -4.888  -1.656  -19.858 1.00 66.15  ? 162 VAL   B N   1 
ATOM   1553 C CA  . VAL   B 2 153 ? -5.767  -2.864  -19.888 1.00 62.72  ? 162 VAL   B CA  1 
ATOM   1554 C C   . VAL   B 2 153 ? -6.734  -2.789  -18.698 1.00 57.17  ? 162 VAL   B C   1 
ATOM   1555 O O   . VAL   B 2 153 ? -6.272  -2.577  -17.581 1.00 54.66  ? 162 VAL   B O   1 
ATOM   1556 C CB  . VAL   B 2 153 ? -4.932  -4.161  -19.862 1.00 63.41  ? 162 VAL   B CB  1 
ATOM   1557 C CG1 . VAL   B 2 153 ? -5.799  -5.415  -20.037 1.00 57.42  ? 162 VAL   B CG1 1 
ATOM   1558 C CG2 . VAL   B 2 153 ? -3.827  -4.108  -20.907 1.00 68.01  ? 162 VAL   B CG2 1 
ATOM   1559 N N   . SER   B 2 154 ? -8.030  -2.965  -18.943 1.00 57.30  ? 163 SER   B N   1 
ATOM   1560 C CA  . SER   B 2 154 ? -9.102  -2.846  -17.926 1.00 54.38  ? 163 SER   B CA  1 
ATOM   1561 C C   . SER   B 2 154 ? -9.640  -4.240  -17.633 1.00 49.83  ? 163 SER   B C   1 
ATOM   1562 O O   . SER   B 2 154 ? -9.854  -4.988  -18.586 1.00 48.82  ? 163 SER   B O   1 
ATOM   1563 C CB  . SER   B 2 154 ? -10.227 -1.932  -18.380 1.00 52.51  ? 163 SER   B CB  1 
ATOM   1564 O OG  . SER   B 2 154 ? -11.334 -1.991  -17.484 1.00 51.68  ? 163 SER   B OG  1 
ATOM   1565 N N   . ALA   B 2 155 ? -9.899  -4.521  -16.358 1.00 48.73  ? 164 ALA   B N   1 
ATOM   1566 C CA  . ALA   B 2 155 ? -10.756 -5.634  -15.913 1.00 43.02  ? 164 ALA   B CA  1 
ATOM   1567 C C   . ALA   B 2 155 ? -12.147 -5.447  -16.514 1.00 49.50  ? 164 ALA   B C   1 
ATOM   1568 O O   . ALA   B 2 155 ? -12.600 -4.287  -16.707 1.00 51.33  ? 164 ALA   B O   1 
ATOM   1569 C CB  . ALA   B 2 155 ? -10.812 -5.675  -14.397 1.00 47.18  ? 164 ALA   B CB  1 
ATOM   1570 N N   . ILE   B 2 156 ? -12.806 -6.565  -16.781 1.00 49.04  ? 165 ILE   B N   1 
ATOM   1571 C CA  . ILE   B 2 156 ? -14.283 -6.659  -16.857 1.00 53.72  ? 165 ILE   B CA  1 
ATOM   1572 C C   . ILE   B 2 156 ? -14.790 -6.787  -15.415 1.00 53.85  ? 165 ILE   B C   1 
ATOM   1573 O O   . ILE   B 2 156 ? -14.893 -7.935  -14.942 1.00 54.83  ? 165 ILE   B O   1 
ATOM   1574 C CB  . ILE   B 2 156 ? -14.699 -7.849  -17.739 1.00 54.78  ? 165 ILE   B CB  1 
ATOM   1575 C CG1 . ILE   B 2 156 ? -13.931 -7.843  -19.066 1.00 58.81  ? 165 ILE   B CG1 1 
ATOM   1576 C CG2 . ILE   B 2 156 ? -16.217 -7.850  -17.943 1.00 52.75  ? 165 ILE   B CG2 1 
ATOM   1577 C CD1 . ILE   B 2 156 ? -14.359 -8.934  -20.019 1.00 63.90  ? 165 ILE   B CD1 1 
ATOM   1578 N N   . THR   B 2 157 ? -15.088 -5.657  -14.749 1.00 55.67  ? 166 THR   B N   1 
ATOM   1579 C CA  . THR   B 2 157 ? -15.555 -5.600  -13.330 1.00 47.74  ? 166 THR   B CA  1 
ATOM   1580 C C   . THR   B 2 157 ? -17.072 -5.847  -13.274 1.00 50.76  ? 166 THR   B C   1 
ATOM   1581 O O   . THR   B 2 157 ? -17.829 -5.025  -13.835 1.00 53.05  ? 166 THR   B O   1 
ATOM   1582 C CB  . THR   B 2 157 ? -15.142 -4.288  -12.673 1.00 50.88  ? 166 THR   B CB  1 
ATOM   1583 O OG1 . THR   B 2 157 ? -13.721 -4.178  -12.778 1.00 51.85  ? 166 THR   B OG1 1 
ATOM   1584 C CG2 . THR   B 2 157 ? -15.570 -4.209  -11.226 1.00 50.48  ? 166 THR   B CG2 1 
ATOM   1585 N N   . GLN   B 2 158 ? -17.498 -6.965  -12.671 1.00 48.97  ? 167 GLN   B N   1 
ATOM   1586 C CA  . GLN   B 2 158 ? -18.928 -7.301  -12.437 1.00 46.96  ? 167 GLN   B CA  1 
ATOM   1587 C C   . GLN   B 2 158 ? -19.167 -7.387  -10.922 1.00 53.40  ? 167 GLN   B C   1 
ATOM   1588 O O   . GLN   B 2 158 ? -18.215 -7.671  -10.184 1.00 50.94  ? 167 GLN   B O   1 
ATOM   1589 C CB  . GLN   B 2 158 ? -19.291 -8.572  -13.196 1.00 43.57  ? 167 GLN   B CB  1 
ATOM   1590 C CG  . GLN   B 2 158 ? -20.761 -8.959  -13.176 1.00 47.72  ? 167 GLN   B CG  1 
ATOM   1591 C CD  . GLN   B 2 158 ? -21.689 -7.866  -13.667 1.00 53.88  ? 167 GLN   B CD  1 
ATOM   1592 O OE1 . GLN   B 2 158 ? -21.634 -6.728  -13.204 1.00 51.56  ? 167 GLN   B OE1 1 
ATOM   1593 N NE2 . GLN   B 2 158 ? -22.580 -8.206  -14.588 1.00 51.17  ? 167 GLN   B NE2 1 
ATOM   1594 N N   . GLY   B 2 159 ? -20.374 -7.034  -10.478 1.00 53.60  ? 168 GLY   B N   1 
ATOM   1595 C CA  . GLY   B 2 159 ? -20.804 -7.153  -9.079  1.00 56.03  ? 168 GLY   B CA  1 
ATOM   1596 C C   . GLY   B 2 159 ? -21.703 -8.354  -8.929  1.00 58.33  ? 168 GLY   B C   1 
ATOM   1597 O O   . GLY   B 2 159 ? -22.140 -8.887  -9.951  1.00 63.54  ? 168 GLY   B O   1 
ATOM   1598 N N   . LYS   B 2 160 ? -21.988 -8.737  -7.690  1.00 73.64  ? 169 LYS   B N   1 
ATOM   1599 C CA  . LYS   B 2 160 ? -22.894 -9.858  -7.336  1.00 80.18  ? 169 LYS   B CA  1 
ATOM   1600 C C   . LYS   B 2 160 ? -24.309 -9.294  -7.176  1.00 81.59  ? 169 LYS   B C   1 
ATOM   1601 O O   . LYS   B 2 160 ? -24.451 -8.240  -6.534  1.00 81.50  ? 169 LYS   B O   1 
ATOM   1602 C CB  . LYS   B 2 160 ? -22.377 -10.545 -6.068  1.00 84.68  ? 169 LYS   B CB  1 
ATOM   1603 C CG  . LYS   B 2 160 ? -23.001 -11.897 -5.766  1.00 93.94  ? 169 LYS   B CG  1 
ATOM   1604 C CD  . LYS   B 2 160 ? -22.710 -12.381 -4.363  1.00 101.06 ? 169 LYS   B CD  1 
ATOM   1605 C CE  . LYS   B 2 160 ? -23.546 -13.576 -3.957  1.00 98.79  ? 169 LYS   B CE  1 
ATOM   1606 N NZ  . LYS   B 2 160 ? -23.510 -13.778 -2.488  1.00 100.20 ? 169 LYS   B NZ  1 
ATOM   1607 N N   . ARG   B 2 161 ? -25.303 -9.955  -7.776  1.00 92.13  ? 170 ARG   B N   1 
ATOM   1608 C CA  . ARG   B 2 161 ? -26.751 -9.679  -7.573  1.00 94.02  ? 170 ARG   B CA  1 
ATOM   1609 C C   . ARG   B 2 161 ? -27.266 -10.607 -6.468  1.00 98.85  ? 170 ARG   B C   1 
ATOM   1610 O O   . ARG   B 2 161 ? -26.914 -11.798 -6.509  1.00 101.82 ? 170 ARG   B O   1 
ATOM   1611 C CB  . ARG   B 2 161 ? -27.526 -9.903  -8.877  1.00 89.24  ? 170 ARG   B CB  1 
ATOM   1612 C CG  . ARG   B 2 161 ? -29.017 -9.626  -8.764  1.00 87.09  ? 170 ARG   B CG  1 
ATOM   1613 C CD  . ARG   B 2 161 ? -29.823 -10.098 -9.958  1.00 87.17  ? 170 ARG   B CD  1 
ATOM   1614 N NE  . ARG   B 2 161 ? -31.203 -9.637  -9.857  1.00 84.95  ? 170 ARG   B NE  1 
ATOM   1615 C CZ  . ARG   B 2 161 ? -31.815 -8.802  -10.700 1.00 86.79  ? 170 ARG   B CZ  1 
ATOM   1616 N NH1 . ARG   B 2 161 ? -31.196 -8.311  -11.763 1.00 75.18  ? 170 ARG   B NH1 1 
ATOM   1617 N NH2 . ARG   B 2 161 ? -33.072 -8.460  -10.472 1.00 93.05  ? 170 ARG   B NH2 1 
ATOM   1618 N N   . GLU   B 2 162 ? -28.069 -10.082 -5.534  1.00 108.04 ? 171 GLU   B N   1 
ATOM   1619 C CA  . GLU   B 2 162 ? -28.702 -10.856 -4.428  1.00 109.77 ? 171 GLU   B CA  1 
ATOM   1620 C C   . GLU   B 2 162 ? -30.139 -11.216 -4.827  1.00 105.38 ? 171 GLU   B C   1 
ATOM   1621 O O   . GLU   B 2 162 ? -30.706 -12.198 -4.350  1.00 106.87 ? 171 GLU   B O   1 
ATOM   1622 C CB  . GLU   B 2 162 ? -28.677 -10.056 -3.122  1.00 115.48 ? 171 GLU   B CB  1 
ATOM   1623 C CG  . GLU   B 2 162 ? -27.320 -9.453  -2.780  1.00 122.32 ? 171 GLU   B CG  1 
ATOM   1624 C CD  . GLU   B 2 162 ? -26.174 -10.443 -2.630  1.00 135.36 ? 171 GLU   B CD  1 
ATOM   1625 O OE1 . GLU   B 2 162 ? -25.755 -10.693 -1.476  1.00 135.52 ? 171 GLU   B OE1 1 
ATOM   1626 O OE2 . GLU   B 2 162 ? -25.687 -10.951 -3.667  1.00 131.11 ? 171 GLU   B OE2 1 
HETATM 1627 S S   A DMS   C 3 .   ? -7.864  5.646   -17.861 0.25 107.04 ? 201 DMS   B S   1 
HETATM 1628 S S   B DMS   C 3 .   ? -7.865  5.646   -17.862 0.23 107.19 ? 201 DMS   B S   1 
HETATM 1629 O O   A DMS   C 3 .   ? -6.478  5.067   -17.925 0.25 113.24 ? 201 DMS   B O   1 
HETATM 1630 O O   B DMS   C 3 .   ? -6.479  5.068   -17.925 0.23 113.03 ? 201 DMS   B O   1 
HETATM 1631 C C1  A DMS   C 3 .   ? -8.446  5.361   -16.208 0.25 108.86 ? 201 DMS   B C1  1 
HETATM 1632 C C1  B DMS   C 3 .   ? -8.446  5.361   -16.208 0.23 108.87 ? 201 DMS   B C1  1 
HETATM 1633 C C2  A DMS   C 3 .   ? -8.927  4.486   -18.688 0.25 108.65 ? 201 DMS   B C2  1 
HETATM 1634 C C2  B DMS   C 3 .   ? -8.927  4.486   -18.688 0.23 108.67 ? 201 DMS   B C2  1 
HETATM 1635 S S   . DMS   D 3 .   ? -18.846 11.970  -0.210  1.00 86.07  ? 202 DMS   B S   1 
HETATM 1636 O O   . DMS   D 3 .   ? -19.389 10.564  -0.276  1.00 88.03  ? 202 DMS   B O   1 
HETATM 1637 C C1  . DMS   D 3 .   ? -20.044 13.014  -1.003  1.00 95.93  ? 202 DMS   B C1  1 
HETATM 1638 C C2  . DMS   D 3 .   ? -17.580 12.090  -1.448  1.00 79.64  ? 202 DMS   B C2  1 
HETATM 1639 S S   A DMS   E 3 .   ? -7.529  3.243   -13.588 0.25 179.22 ? 203 DMS   B S   1 
HETATM 1640 S S   B DMS   E 3 .   ? -7.530  3.244   -13.589 0.23 179.03 ? 203 DMS   B S   1 
HETATM 1641 O O   A DMS   E 3 .   ? -7.105  1.802   -13.586 0.25 175.58 ? 203 DMS   B O   1 
HETATM 1642 O O   B DMS   E 3 .   ? -7.107  1.803   -13.588 0.23 175.62 ? 203 DMS   B O   1 
HETATM 1643 C C1  A DMS   E 3 .   ? -8.418  3.496   -12.075 0.25 178.21 ? 203 DMS   B C1  1 
HETATM 1644 C C1  B DMS   E 3 .   ? -8.419  3.496   -12.075 0.23 178.11 ? 203 DMS   B C1  1 
HETATM 1645 C C2  A DMS   E 3 .   ? -6.081  4.182   -13.179 0.25 177.42 ? 203 DMS   B C2  1 
HETATM 1646 C C2  B DMS   E 3 .   ? -6.082  4.182   -13.179 0.23 177.38 ? 203 DMS   B C2  1 
HETATM 1647 N N1  C A1BXR F 4 .   ? -8.285  3.458   -12.270 0.26 52.34  ? 204 A1BXR B N1  1 
HETATM 1648 N N1  D A1BXR F 4 .   ? -8.285  3.458   -12.270 0.26 52.34  ? 204 A1BXR B N1  1 
HETATM 1649 N N3  C A1BXR F 4 .   ? -6.403  5.170   -15.934 0.26 51.85  ? 204 A1BXR B N3  1 
HETATM 1650 N N3  D A1BXR F 4 .   ? -6.403  5.170   -15.934 0.26 51.85  ? 204 A1BXR B N3  1 
HETATM 1651 C C4  C A1BXR F 4 .   ? -6.339  4.997   -18.743 0.26 53.46  ? 204 A1BXR B C4  1 
HETATM 1652 C C4  D A1BXR F 4 .   ? -6.339  4.997   -18.743 0.26 53.46  ? 204 A1BXR B C4  1 
HETATM 1653 C C5  C A1BXR F 4 .   ? -6.279  4.905   -20.247 0.26 54.22  ? 204 A1BXR B C5  1 
HETATM 1654 C C5  D A1BXR F 4 .   ? -6.279  4.905   -20.247 0.26 54.22  ? 204 A1BXR B C5  1 
HETATM 1655 C C6  C A1BXR F 4 .   ? -7.549  4.701   -18.040 0.26 51.33  ? 204 A1BXR B C6  1 
HETATM 1656 C C6  D A1BXR F 4 .   ? -7.549  4.701   -18.040 0.26 51.33  ? 204 A1BXR B C6  1 
HETATM 1657 C C7  C A1BXR F 4 .   ? -8.744  4.305   -18.695 0.26 49.36  ? 204 A1BXR B C7  1 
HETATM 1658 C C7  D A1BXR F 4 .   ? -8.744  4.305   -18.695 0.26 49.36  ? 204 A1BXR B C7  1 
HETATM 1659 C C8  C A1BXR F 4 .   ? -9.868  4.030   -17.979 0.26 46.76  ? 204 A1BXR B C8  1 
HETATM 1660 C C8  D A1BXR F 4 .   ? -9.868  4.030   -17.979 0.26 46.76  ? 204 A1BXR B C8  1 
HETATM 1661 C C10 C A1BXR F 4 .   ? -8.724  4.499   -15.889 0.26 48.36  ? 204 A1BXR B C10 1 
HETATM 1662 C C10 D A1BXR F 4 .   ? -8.724  4.499   -15.889 0.26 48.36  ? 204 A1BXR B C10 1 
HETATM 1663 C C13 C A1BXR F 4 .   ? -8.716  4.604   -11.454 0.26 53.17  ? 204 A1BXR B C13 1 
HETATM 1664 C C13 D A1BXR F 4 .   ? -8.716  4.604   -11.454 0.26 53.17  ? 204 A1BXR B C13 1 
HETATM 1665 C C15 C A1BXR F 4 .   ? -8.050  2.846   -9.991  0.26 55.18  ? 204 A1BXR B C15 1 
HETATM 1666 C C15 D A1BXR F 4 .   ? -8.050  2.846   -9.991  0.26 55.18  ? 204 A1BXR B C15 1 
HETATM 1667 C C17 C A1BXR F 4 .   ? -7.537  4.805   -16.618 0.26 50.64  ? 204 A1BXR B C17 1 
HETATM 1668 C C17 D A1BXR F 4 .   ? -7.537  4.805   -16.618 0.26 50.64  ? 204 A1BXR B C17 1 
HETATM 1669 C C1  C A1BXR F 4 .   ? -4.081  5.846   -15.842 0.26 51.91  ? 204 A1BXR B C1  1 
HETATM 1670 C C1  D A1BXR F 4 .   ? -4.081  5.846   -15.842 0.26 51.91  ? 204 A1BXR B C1  1 
HETATM 1671 C C2  C A1BXR F 4 .   ? -5.299  5.439   -16.617 0.26 51.98  ? 204 A1BXR B C2  1 
HETATM 1672 C C2  D A1BXR F 4 .   ? -5.299  5.439   -16.617 0.26 51.98  ? 204 A1BXR B C2  1 
HETATM 1673 C C3  C A1BXR F 4 .   ? -5.236  5.365   -18.022 0.26 52.33  ? 204 A1BXR B C3  1 
HETATM 1674 C C3  D A1BXR F 4 .   ? -5.236  5.365   -18.022 0.26 52.33  ? 204 A1BXR B C3  1 
HETATM 1675 O O1  C A1BXR F 4 .   ? -4.973  5.128   -20.771 0.26 59.66  ? 204 A1BXR B O1  1 
HETATM 1676 O O1  D A1BXR F 4 .   ? -4.973  5.128   -20.771 0.26 59.66  ? 204 A1BXR B O1  1 
HETATM 1677 C C9  C A1BXR F 4 .   ? -9.850  4.127   -16.575 0.26 45.37  ? 204 A1BXR B C9  1 
HETATM 1678 C C9  D A1BXR F 4 .   ? -9.850  4.127   -16.575 0.26 45.37  ? 204 A1BXR B C9  1 
HETATM 1679 C C11 C A1BXR F 4 .   ? -8.776  4.615   -14.379 0.26 48.77  ? 204 A1BXR B C11 1 
HETATM 1680 C C11 D A1BXR F 4 .   ? -8.776  4.615   -14.379 0.26 48.77  ? 204 A1BXR B C11 1 
HETATM 1681 C C12 C A1BXR F 4 .   ? -8.303  3.392   -13.617 0.26 49.02  ? 204 A1BXR B C12 1 
HETATM 1682 C C12 D A1BXR F 4 .   ? -8.303  3.392   -13.617 0.26 49.02  ? 204 A1BXR B C12 1 
HETATM 1683 O O2  C A1BXR F 4 .   ? -7.943  2.377   -14.185 0.26 46.15  ? 204 A1BXR B O2  1 
HETATM 1684 O O2  D A1BXR F 4 .   ? -7.943  2.377   -14.185 0.26 46.15  ? 204 A1BXR B O2  1 
HETATM 1685 C C14 C A1BXR F 4 .   ? -9.073  3.973   -10.136 0.26 54.38  ? 204 A1BXR B C14 1 
HETATM 1686 C C14 D A1BXR F 4 .   ? -9.073  3.973   -10.136 0.26 54.38  ? 204 A1BXR B C14 1 
HETATM 1687 N N2  C A1BXR F 4 .   ? -8.519  1.793   -9.090  0.26 56.07  ? 204 A1BXR B N2  1 
HETATM 1688 N N2  D A1BXR F 4 .   ? -8.519  1.793   -9.090  0.26 56.07  ? 204 A1BXR B N2  1 
HETATM 1689 C C16 C A1BXR F 4 .   ? -7.789  2.362   -11.421 0.26 54.93  ? 204 A1BXR B C16 1 
HETATM 1690 C C16 D A1BXR F 4 .   ? -7.789  2.362   -11.421 0.26 54.93  ? 204 A1BXR B C16 1 
HETATM 1691 O O   A HOH   G 5 .   ? -28.208 -5.982  -28.089 0.50 72.62  ? 101 HOH   A O   1 
HETATM 1692 O O   B HOH   G 5 .   ? -28.208 -5.982  -28.089 0.50 72.62  ? 101 HOH   A O   1 
HETATM 1693 O O   . HOH   G 5 .   ? -1.955  -3.969  -6.247  1.00 64.03  ? 102 HOH   A O   1 
HETATM 1694 O O   . HOH   G 5 .   ? -4.360  -14.777 -25.342 1.00 51.59  ? 103 HOH   A O   1 
HETATM 1695 O O   . HOH   G 5 .   ? -23.930 9.160   -27.412 1.00 55.21  ? 104 HOH   A O   1 
HETATM 1696 O O   A HOH   G 5 .   ? -25.100 -3.064  -36.154 0.50 110.05 ? 105 HOH   A O   1 
HETATM 1697 O O   B HOH   G 5 .   ? -25.100 -3.064  -36.154 0.50 110.05 ? 105 HOH   A O   1 
HETATM 1698 O O   A HOH   G 5 .   ? -23.662 18.831  -19.708 0.50 77.12  ? 106 HOH   A O   1 
HETATM 1699 O O   B HOH   G 5 .   ? -23.662 18.831  -19.708 0.50 77.12  ? 106 HOH   A O   1 
HETATM 1700 O O   A HOH   G 5 .   ? -5.078  2.698   -10.079 0.25 55.40  ? 107 HOH   A O   1 
HETATM 1701 O O   B HOH   G 5 .   ? -5.080  2.701   -10.077 0.23 55.42  ? 107 HOH   A O   1 
HETATM 1702 O O   A HOH   G 5 .   ? -7.990  -1.530  6.932   0.50 77.34  ? 108 HOH   A O   1 
HETATM 1703 O O   B HOH   G 5 .   ? -7.990  -1.530  6.932   0.50 77.34  ? 108 HOH   A O   1 
HETATM 1704 O O   A HOH   G 5 .   ? -3.764  -3.920  0.370   0.50 70.66  ? 109 HOH   A O   1 
HETATM 1705 O O   B HOH   G 5 .   ? -3.764  -3.920  0.370   0.50 70.66  ? 109 HOH   A O   1 
HETATM 1706 O O   A HOH   G 5 .   ? -29.309 15.645  -14.970 0.50 80.60  ? 110 HOH   A O   1 
HETATM 1707 O O   B HOH   G 5 .   ? -29.309 15.645  -14.970 0.50 80.60  ? 110 HOH   A O   1 
HETATM 1708 O O   . HOH   G 5 .   ? -2.965  -11.933 -6.915  1.00 53.20  ? 111 HOH   A O   1 
HETATM 1709 O O   . HOH   G 5 .   ? -30.772 12.812  -16.357 1.00 68.59  ? 112 HOH   A O   1 
HETATM 1710 O O   A HOH   G 5 .   ? -4.188  -0.799  -0.270  0.50 67.72  ? 113 HOH   A O   1 
HETATM 1711 O O   B HOH   G 5 .   ? -4.188  -0.799  -0.270  0.50 67.72  ? 113 HOH   A O   1 
HETATM 1712 O O   A HOH   G 5 .   ? -29.644 0.610   -30.060 0.50 80.02  ? 114 HOH   A O   1 
HETATM 1713 O O   B HOH   G 5 .   ? -29.644 0.610   -30.060 0.50 80.02  ? 114 HOH   A O   1 
HETATM 1714 O O   A HOH   G 5 .   ? -9.588  2.053   -6.843  0.25 54.16  ? 115 HOH   A O   1 
HETATM 1715 O O   B HOH   G 5 .   ? -9.587  2.051   -6.839  0.23 54.17  ? 115 HOH   A O   1 
HETATM 1716 O O   A HOH   G 5 .   ? -21.868 -9.275  -34.783 0.50 76.11  ? 116 HOH   A O   1 
HETATM 1717 O O   B HOH   G 5 .   ? -21.868 -9.275  -34.783 0.50 76.11  ? 116 HOH   A O   1 
HETATM 1718 O O   . HOH   G 5 .   ? -30.950 0.474   -23.091 1.00 57.39  ? 117 HOH   A O   1 
HETATM 1719 O O   A HOH   G 5 .   ? -4.922  -10.555 -5.790  0.50 67.20  ? 118 HOH   A O   1 
HETATM 1720 O O   B HOH   G 5 .   ? -4.922  -10.555 -5.790  0.50 67.20  ? 118 HOH   A O   1 
HETATM 1721 O O   A HOH   G 5 .   ? -2.755  -8.558  -3.410  0.50 69.28  ? 119 HOH   A O   1 
HETATM 1722 O O   B HOH   G 5 .   ? -2.755  -8.558  -3.410  0.50 69.28  ? 119 HOH   A O   1 
HETATM 1723 O O   . HOH   H 5 .   ? -30.910 12.714  -19.446 1.00 61.85  ? 301 HOH   B O   1 
HETATM 1724 O O   . HOH   H 5 .   ? -33.963 1.490   -15.459 1.00 57.91  ? 302 HOH   B O   1 
HETATM 1725 O O   A HOH   H 5 .   ? -34.975 -2.951  -17.012 0.50 84.58  ? 303 HOH   B O   1 
HETATM 1726 O O   B HOH   H 5 .   ? -34.975 -2.951  -17.012 0.50 84.58  ? 303 HOH   B O   1 
HETATM 1727 O O   A HOH   H 5 .   ? -15.620 -10.143 -15.492 0.50 79.25  ? 304 HOH   B O   1 
HETATM 1728 O O   B HOH   H 5 .   ? -15.620 -10.143 -15.492 0.50 79.25  ? 304 HOH   B O   1 
HETATM 1729 O O   . HOH   H 5 .   ? -25.933 -8.296  -16.692 1.00 55.67  ? 305 HOH   B O   1 
HETATM 1730 O O   . HOH   H 5 .   ? -17.409 12.731  -5.640  1.00 60.08  ? 306 HOH   B O   1 
HETATM 1731 O O   . HOH   H 5 .   ? -15.368 -4.579  1.400   1.00 55.98  ? 307 HOH   B O   1 
HETATM 1732 O O   . HOH   H 5 .   ? -16.710 -7.347  -8.259  1.00 65.70  ? 308 HOH   B O   1 
HETATM 1733 O O   . HOH   H 5 .   ? -12.436 2.239   -5.732  1.00 56.21  ? 309 HOH   B O   1 
HETATM 1734 O O   A HOH   H 5 .   ? -15.903 9.413   -0.718  0.50 64.68  ? 310 HOH   B O   1 
HETATM 1735 O O   B HOH   H 5 .   ? -15.903 9.413   -0.718  0.50 64.68  ? 310 HOH   B O   1 
HETATM 1736 O O   . HOH   H 5 .   ? -16.339 26.138  -13.365 1.00 78.04  ? 311 HOH   B O   1 
HETATM 1737 O O   A HOH   H 5 .   ? -31.510 7.224   -4.569  0.50 74.35  ? 312 HOH   B O   1 
HETATM 1738 O O   B HOH   H 5 .   ? -31.510 7.224   -4.569  0.50 74.35  ? 312 HOH   B O   1 
HETATM 1739 O O   A HOH   H 5 .   ? -27.685 -6.933  -5.566  0.50 71.39  ? 313 HOH   B O   1 
HETATM 1740 O O   B HOH   H 5 .   ? -27.685 -6.933  -5.566  0.50 71.39  ? 313 HOH   B O   1 
HETATM 1741 O O   C HOH   H 5 .   ? -22.329 14.939  -6.140  0.50 54.75  ? 314 HOH   B O   1 
HETATM 1742 O O   D HOH   H 5 .   ? -22.329 14.939  -6.140  0.50 54.75  ? 314 HOH   B O   1 
HETATM 1743 O O   . HOH   H 5 .   ? -16.472 -14.867 -16.540 1.00 63.89  ? 315 HOH   B O   1 
HETATM 1744 O O   A HOH   H 5 .   ? -34.439 0.464   -3.513  0.50 68.86  ? 316 HOH   B O   1 
HETATM 1745 O O   B HOH   H 5 .   ? -34.439 0.464   -3.513  0.50 68.86  ? 316 HOH   B O   1 
HETATM 1746 O O   C HOH   H 5 .   ? -24.290 -6.660  -4.436  0.50 72.48  ? 317 HOH   B O   1 
HETATM 1747 O O   D HOH   H 5 .   ? -24.290 -6.660  -4.436  0.50 72.48  ? 317 HOH   B O   1 
HETATM 1748 O O   A HOH   H 5 .   ? -11.125 11.608  -19.432 0.50 72.85  ? 318 HOH   B O   1 
HETATM 1749 O O   B HOH   H 5 .   ? -11.125 11.608  -19.432 0.50 72.85  ? 318 HOH   B O   1 
HETATM 1750 O O   A HOH   H 5 .   ? -16.447 20.683  -14.182 0.50 67.74  ? 319 HOH   B O   1 
HETATM 1751 O O   B HOH   H 5 .   ? -16.447 20.683  -14.182 0.50 67.74  ? 319 HOH   B O   1 
HETATM 1752 O O   A HOH   H 5 .   ? -19.944 -12.541 -25.822 0.50 70.46  ? 320 HOH   B O   1 
HETATM 1753 O O   B HOH   H 5 .   ? -19.944 -12.541 -25.822 0.50 70.46  ? 320 HOH   B O   1 
HETATM 1754 O O   . HOH   H 5 .   ? -12.372 -3.723  -10.165 1.00 57.82  ? 321 HOH   B O   1 
HETATM 1755 O O   . HOH   H 5 .   ? -9.466  -6.920  -25.573 1.00 63.31  ? 322 HOH   B O   1 
HETATM 1756 O O   A HOH   H 5 .   ? -23.904 -14.805 -17.577 0.50 75.18  ? 323 HOH   B O   1 
HETATM 1757 O O   B HOH   H 5 .   ? -23.904 -14.805 -17.577 0.50 75.18  ? 323 HOH   B O   1 
HETATM 1758 O O   A HOH   H 5 .   ? -35.447 4.104   -9.511  0.50 75.81  ? 324 HOH   B O   1 
HETATM 1759 O O   B HOH   H 5 .   ? -35.447 4.104   -9.511  0.50 75.81  ? 324 HOH   B O   1 
HETATM 1760 O O   A HOH   H 5 .   ? -6.490  -0.906  -10.939 0.25 35.02  ? 325 HOH   B O   1 
HETATM 1761 O O   B HOH   H 5 .   ? -6.491  -0.907  -10.939 0.23 35.04  ? 325 HOH   B O   1 
HETATM 1762 O O   . HOH   H 5 .   ? -7.015  -9.048  -3.042  1.00 60.21  ? 326 HOH   B O   1 
HETATM 1763 O O   A HOH   H 5 .   ? -21.797 -12.261 -12.982 0.50 73.80  ? 327 HOH   B O   1 
HETATM 1764 O O   B HOH   H 5 .   ? -21.797 -12.261 -12.982 0.50 73.80  ? 327 HOH   B O   1 
HETATM 1765 O O   A HOH   H 5 .   ? -20.121 -7.532  -2.655  0.50 91.55  ? 328 HOH   B O   1 
HETATM 1766 O O   B HOH   H 5 .   ? -20.121 -7.532  -2.655  0.50 91.55  ? 328 HOH   B O   1 
HETATM 1767 O O   . HOH   H 5 .   ? -21.310 7.241   0.000   0.50 56.71  ? 329 HOH   B O   1 
HETATM 1768 O O   . HOH   H 5 .   ? -21.896 -13.791 -21.703 1.00 64.18  ? 330 HOH   B O   1 
HETATM 1769 O O   A HOH   H 5 .   ? -28.895 -4.107  -22.465 0.50 92.89  ? 331 HOH   B O   1 
HETATM 1770 O O   B HOH   H 5 .   ? -28.895 -4.107  -22.465 0.50 92.89  ? 331 HOH   B O   1 
HETATM 1771 O O   A HOH   H 5 .   ? -0.678  0.330   -13.765 0.50 79.62  ? 332 HOH   B O   1 
HETATM 1772 O O   B HOH   H 5 .   ? -0.678  0.330   -13.765 0.50 79.62  ? 332 HOH   B O   1 
HETATM 1773 O O   . HOH   H 5 .   ? -28.023 -6.206  -18.698 1.00 62.48  ? 333 HOH   B O   1 
HETATM 1774 O O   A HOH   H 5 .   ? -8.599  -11.124 -7.296  0.50 77.99  ? 334 HOH   B O   1 
HETATM 1775 O O   B HOH   H 5 .   ? -8.599  -11.124 -7.296  0.50 77.99  ? 334 HOH   B O   1 
HETATM 1776 O O   A HOH   H 5 .   ? -21.663 5.701   -32.888 0.50 82.32  ? 335 HOH   B O   1 
HETATM 1777 O O   B HOH   H 5 .   ? -21.663 5.701   -32.888 0.50 82.32  ? 335 HOH   B O   1 
HETATM 1778 O O   . HOH   H 5 .   ? -17.975 -10.875 -16.463 1.00 50.87  ? 336 HOH   B O   1 
HETATM 1779 O O   A HOH   H 5 .   ? -35.490 -5.562  -10.292 0.50 86.15  ? 337 HOH   B O   1 
HETATM 1780 O O   B HOH   H 5 .   ? -35.490 -5.562  -10.292 0.50 86.15  ? 337 HOH   B O   1 
HETATM 1781 O O   A HOH   H 5 .   ? -14.500 -6.346  -1.725  0.50 72.38  ? 338 HOH   B O   1 
HETATM 1782 O O   B HOH   H 5 .   ? -14.500 -6.346  -1.725  0.50 72.38  ? 338 HOH   B O   1 
HETATM 1783 O O   . HOH   H 5 .   ? -13.002 -2.225  -14.739 1.00 64.67  ? 339 HOH   B O   1 
HETATM 1784 O O   A HOH   H 5 .   ? -29.771 -1.781  -19.034 0.50 72.95  ? 340 HOH   B O   1 
HETATM 1785 O O   B HOH   H 5 .   ? -29.771 -1.781  -19.034 0.50 72.95  ? 340 HOH   B O   1 
HETATM 1786 O O   A HOH   H 5 .   ? -8.966  2.223   -9.277  0.25 55.98  ? 341 HOH   B O   1 
HETATM 1787 O O   B HOH   H 5 .   ? -8.969  2.222   -9.279  0.23 56.02  ? 341 HOH   B O   1 
HETATM 1788 O O   . HOH   H 5 .   ? -15.976 -13.956 -31.099 1.00 80.79  ? 342 HOH   B O   1 
HETATM 1789 O O   C HOH   H 5 .   ? -7.731  10.461  -19.620 0.50 68.71  ? 343 HOH   B O   1 
HETATM 1790 O O   D HOH   H 5 .   ? -7.731  10.461  -19.620 0.50 68.71  ? 343 HOH   B O   1 
HETATM 1791 O O   . HOH   H 5 .   ? -14.705 -12.535 -16.412 1.00 58.74  ? 344 HOH   B O   1 
HETATM 1792 O O   C HOH   H 5 .   ? -5.509  4.898   -13.120 0.26 50.43  ? 345 HOH   B O   1 
HETATM 1793 O O   D HOH   H 5 .   ? -5.509  4.898   -13.120 0.26 50.43  ? 345 HOH   B O   1 
HETATM 1794 O O   . HOH   H 5 .   ? -7.230  -11.137 -5.212  1.00 60.43  ? 346 HOH   B O   1 
HETATM 1795 O O   . HOH   H 5 .   ? -17.413 14.727  -30.955 1.00 59.28  ? 347 HOH   B O   1 
HETATM 1796 O O   A HOH   H 5 .   ? -11.887 -17.971 -27.812 0.50 85.24  ? 348 HOH   B O   1 
HETATM 1797 O O   B HOH   H 5 .   ? -11.887 -17.971 -27.812 0.50 85.24  ? 348 HOH   B O   1 
HETATM 1798 O O   . HOH   H 5 .   ? -10.800 7.459   -14.027 1.00 58.42  ? 349 HOH   B O   1 
HETATM 1799 O O   A HOH   H 5 .   ? -7.390  -6.223  0.392   0.50 93.55  ? 350 HOH   B O   1 
HETATM 1800 O O   B HOH   H 5 .   ? -7.390  -6.223  0.392   0.50 93.55  ? 350 HOH   B O   1 
HETATM 1801 O O   . HOH   H 5 .   ? -26.085 -4.752  -4.041  1.00 52.47  ? 351 HOH   B O   1 
HETATM 1802 O O   A HOH   H 5 .   ? -18.662 18.873  -21.997 0.50 69.78  ? 352 HOH   B O   1 
HETATM 1803 O O   B HOH   H 5 .   ? -18.662 18.873  -21.997 0.50 69.78  ? 352 HOH   B O   1 
HETATM 1804 O O   . HOH   H 5 .   ? -18.915 14.882  -22.180 1.00 54.94  ? 353 HOH   B O   1 
HETATM 1805 O O   A HOH   H 5 .   ? -19.643 -13.638 -22.931 0.50 55.83  ? 354 HOH   B O   1 
HETATM 1806 O O   B HOH   H 5 .   ? -19.643 -13.638 -22.931 0.50 55.83  ? 354 HOH   B O   1 
HETATM 1807 O O   A HOH   H 5 .   ? -23.517 -7.650  -3.687  0.50 86.36  ? 355 HOH   B O   1 
HETATM 1808 O O   B HOH   H 5 .   ? -23.517 -7.650  -3.687  0.50 86.36  ? 355 HOH   B O   1 
HETATM 1809 O O   A HOH   H 5 .   ? -11.617 -5.164  -8.286  0.50 69.93  ? 356 HOH   B O   1 
HETATM 1810 O O   B HOH   H 5 .   ? -11.617 -5.164  -8.286  0.50 69.93  ? 356 HOH   B O   1 
HETATM 1811 O O   . HOH   H 5 .   ? -30.692 4.404   -2.520  1.00 65.91  ? 357 HOH   B O   1 
HETATM 1812 O O   A HOH   H 5 .   ? -20.906 2.222   -32.794 0.50 74.03  ? 358 HOH   B O   1 
HETATM 1813 O O   B HOH   H 5 .   ? -20.906 2.222   -32.794 0.50 74.03  ? 358 HOH   B O   1 
HETATM 1814 O O   A HOH   H 5 .   ? -20.099 24.683  -16.760 0.50 89.40  ? 359 HOH   B O   1 
HETATM 1815 O O   B HOH   H 5 .   ? -20.099 24.683  -16.760 0.50 89.40  ? 359 HOH   B O   1 
HETATM 1816 O O   A HOH   H 5 .   ? -19.121 25.372  -14.660 0.50 82.95  ? 360 HOH   B O   1 
HETATM 1817 O O   B HOH   H 5 .   ? -19.121 25.372  -14.660 0.50 82.95  ? 360 HOH   B O   1 
HETATM 1818 O O   A HOH   H 5 .   ? -15.289 16.794  -20.521 0.50 74.76  ? 361 HOH   B O   1 
HETATM 1819 O O   B HOH   H 5 .   ? -15.289 16.794  -20.521 0.50 74.76  ? 361 HOH   B O   1 
HETATM 1820 O O   . HOH   H 5 .   ? -19.487 -5.779  -0.819  1.00 60.59  ? 362 HOH   B O   1 
HETATM 1821 O O   . HOH   H 5 .   ? -17.077 16.270  -21.951 1.00 60.75  ? 363 HOH   B O   1 
HETATM 1822 O O   . HOH   H 5 .   ? -30.518 -7.759  -4.952  1.00 69.11  ? 364 HOH   B O   1 
HETATM 1823 O O   A HOH   H 5 .   ? -31.279 -7.563  -7.005  0.50 85.36  ? 365 HOH   B O   1 
HETATM 1824 O O   B HOH   H 5 .   ? -31.279 -7.563  -7.005  0.50 85.36  ? 365 HOH   B O   1 
HETATM 1825 O O   . HOH   H 5 .   ? -1.107  -14.638 -9.902  1.00 70.29  ? 366 HOH   B O   1 
HETATM 1826 O O   . HOH   H 5 .   ? -29.487 -5.728  -0.904  1.00 56.14  ? 367 HOH   B O   1 
HETATM 1827 O O   A HOH   H 5 .   ? -30.597 -12.023 -27.106 0.25 104.58 ? 368 HOH   B O   1 
HETATM 1828 O O   B HOH   H 5 .   ? -30.597 -12.023 -27.106 0.25 104.58 ? 368 HOH   B O   1 
HETATM 1829 O O   C HOH   H 5 .   ? -21.349 15.694  -23.238 0.50 72.59  ? 369 HOH   B O   1 
HETATM 1830 O O   D HOH   H 5 .   ? -21.349 15.694  -23.238 0.50 72.59  ? 369 HOH   B O   1 
HETATM 1831 O O   A HOH   H 5 .   ? -10.133 22.153  -13.701 0.50 84.93  ? 370 HOH   B O   1 
HETATM 1832 O O   B HOH   H 5 .   ? -10.133 22.153  -13.701 0.50 84.93  ? 370 HOH   B O   1 
HETATM 1833 O O   A HOH   H 5 .   ? -11.416 4.717   -5.762  0.25 34.19  ? 371 HOH   B O   1 
HETATM 1834 O O   B HOH   H 5 .   ? -11.893 4.649   -4.672  0.23 29.70  ? 371 HOH   B O   1 
HETATM 1835 O O   A HOH   H 5 .   ? -19.082 -12.027 -13.534 0.50 72.02  ? 372 HOH   B O   1 
HETATM 1836 O O   B HOH   H 5 .   ? -19.082 -12.027 -13.534 0.50 72.02  ? 372 HOH   B O   1 
HETATM 1837 O O   . HOH   H 5 .   ? -11.780 -7.687  2.050   1.00 68.29  ? 373 HOH   B O   1 
HETATM 1838 O O   A HOH   H 5 .   ? -11.875 14.443  -14.493 0.50 71.51  ? 374 HOH   B O   1 
HETATM 1839 O O   B HOH   H 5 .   ? -11.875 14.443  -14.493 0.50 71.51  ? 374 HOH   B O   1 
HETATM 1840 O O   . HOH   H 5 .   ? -21.310 4.466   0.000   0.50 72.15  ? 375 HOH   B O   1 
# 
