data_7HP5
# 
_entry.id   7HP5 
# 
_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   7HP5         pdb_00007hp5 10.2210/pdb7hp5/pdb 
WWPDB D_1001407755 ?            ?                   
# 
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 2025-02-26 ? 
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                        7HP5 
_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   2024-11-07 
_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  
'Lee, A.'             9  
'Kenton, N.'          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 'Lee, A.'             ? 9  
primary 'Kenton, N.'          ? 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 '4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine' 302.332   1  ? ?    ? ? 
5 water       nat water                                                                    18.015    89 ? ?    ? ? 
# 
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 '4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine' A1BHA 
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 
A1BHA non-polymer         . '4-methoxy-2-(piperazin-1-yl)-6-{[(pyrimidin-5-yl)oxy]methyl}pyrimidine' ? 'C14 H18 N6 O2'  302.332 
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        A1BHA 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BHA 
_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 A1BHA 1  204 301 A1BHA LIG B . 
G 5 HOH   1  101 70  HOH   HOH A . 
G 5 HOH   2  102 98  HOH   HOH A . 
G 5 HOH   3  103 48  HOH   HOH A . 
G 5 HOH   4  104 34  HOH   HOH A . 
G 5 HOH   5  105 20  HOH   HOH A . 
G 5 HOH   6  106 121 HOH   HOH A . 
G 5 HOH   7  107 105 HOH   HOH A . 
G 5 HOH   8  108 65  HOH   HOH A . 
G 5 HOH   9  109 110 HOH   HOH A . 
G 5 HOH   10 110 28  HOH   HOH A . 
G 5 HOH   11 111 118 HOH   HOH A . 
G 5 HOH   12 112 14  HOH   HOH A . 
G 5 HOH   13 113 50  HOH   HOH A . 
G 5 HOH   14 114 16  HOH   HOH A . 
G 5 HOH   15 115 40  HOH   HOH A . 
G 5 HOH   16 116 12  HOH   HOH A . 
G 5 HOH   17 117 85  HOH   HOH A . 
G 5 HOH   18 118 29  HOH   HOH A . 
G 5 HOH   19 119 27  HOH   HOH A . 
G 5 HOH   20 120 77  HOH   HOH A . 
G 5 HOH   21 121 120 HOH   HOH A . 
G 5 HOH   22 122 119 HOH   HOH A . 
H 5 HOH   1  301 51  HOH   HOH B . 
H 5 HOH   2  302 5   HOH   HOH B . 
H 5 HOH   3  303 23  HOH   HOH B . 
H 5 HOH   4  304 90  HOH   HOH B . 
H 5 HOH   5  305 11  HOH   HOH B . 
H 5 HOH   6  306 117 HOH   HOH B . 
H 5 HOH   7  307 54  HOH   HOH B . 
H 5 HOH   8  308 92  HOH   HOH B . 
H 5 HOH   9  309 79  HOH   HOH B . 
H 5 HOH   10 310 9   HOH   HOH B . 
H 5 HOH   11 311 39  HOH   HOH B . 
H 5 HOH   12 312 32  HOH   HOH B . 
H 5 HOH   13 313 58  HOH   HOH B . 
H 5 HOH   14 314 73  HOH   HOH B . 
H 5 HOH   15 315 2   HOH   HOH B . 
H 5 HOH   16 316 1   HOH   HOH B . 
H 5 HOH   17 317 69  HOH   HOH B . 
H 5 HOH   18 318 21  HOH   HOH B . 
H 5 HOH   19 319 46  HOH   HOH B . 
H 5 HOH   20 320 68  HOH   HOH B . 
H 5 HOH   21 321 35  HOH   HOH B . 
H 5 HOH   22 322 56  HOH   HOH B . 
H 5 HOH   23 323 10  HOH   HOH B . 
H 5 HOH   24 324 100 HOH   HOH B . 
H 5 HOH   25 325 60  HOH   HOH B . 
H 5 HOH   26 326 42  HOH   HOH B . 
H 5 HOH   27 327 66  HOH   HOH B . 
H 5 HOH   28 328 30  HOH   HOH B . 
H 5 HOH   29 329 4   HOH   HOH B . 
H 5 HOH   30 330 108 HOH   HOH B . 
H 5 HOH   31 331 72  HOH   HOH B . 
H 5 HOH   32 332 63  HOH   HOH B . 
H 5 HOH   33 333 31  HOH   HOH B . 
H 5 HOH   34 334 36  HOH   HOH B . 
H 5 HOH   35 335 106 HOH   HOH B . 
H 5 HOH   36 336 81  HOH   HOH B . 
H 5 HOH   37 337 122 HOH   HOH B . 
H 5 HOH   38 338 94  HOH   HOH B . 
H 5 HOH   39 339 116 HOH   HOH B . 
H 5 HOH   40 340 62  HOH   HOH B . 
H 5 HOH   41 341 89  HOH   HOH B . 
H 5 HOH   42 342 13  HOH   HOH B . 
H 5 HOH   43 343 24  HOH   HOH B . 
H 5 HOH   44 344 43  HOH   HOH B . 
H 5 HOH   45 345 80  HOH   HOH B . 
H 5 HOH   46 346 102 HOH   HOH B . 
H 5 HOH   47 347 57  HOH   HOH B . 
H 5 HOH   48 348 103 HOH   HOH B . 
H 5 HOH   49 349 18  HOH   HOH B . 
H 5 HOH   50 350 112 HOH   HOH B . 
H 5 HOH   51 351 3   HOH   HOH B . 
H 5 HOH   52 352 17  HOH   HOH B . 
H 5 HOH   53 353 107 HOH   HOH B . 
H 5 HOH   54 354 82  HOH   HOH B . 
H 5 HOH   55 355 49  HOH   HOH B . 
H 5 HOH   56 356 61  HOH   HOH B . 
H 5 HOH   57 357 115 HOH   HOH B . 
H 5 HOH   58 358 67  HOH   HOH B . 
H 5 HOH   59 359 45  HOH   HOH B . 
H 5 HOH   60 360 64  HOH   HOH B . 
H 5 HOH   61 361 87  HOH   HOH B . 
H 5 HOH   62 362 83  HOH   HOH B . 
H 5 HOH   63 363 26  HOH   HOH B . 
H 5 HOH   64 364 59  HOH   HOH B . 
H 5 HOH   65 365 109 HOH   HOH B . 
H 5 HOH   66 366 44  HOH   HOH B . 
H 5 HOH   67 367 75  HOH   HOH B . 
# 
loop_
_software.classification 
_software.name 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
refinement       REFMAC  5.8.0267 ? 1 
refinement       BUSTER  .        ? 2 
'data scaling'   Aimless .        ? 3 
phasing          PHASER  .        ? 4 
'data reduction' XDS     .        ? 5 
'data reduction' XDS     .        ? 6 
'data reduction' XDS     .        ? 7 
'data reduction' XDS     .        ? 8 
'data reduction' XDS     .        ? 9 
# 
_cell.entry_id           7HP5 
_cell.length_a           42.430 
_cell.length_b           42.430 
_cell.length_c           216.260 
_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                         7HP5 
_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          7HP5 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.10 
_exptl_crystal.density_percent_sol   41.40 
_exptl_crystal.description           ? 
# 
_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_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2023-10-05 
_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                     7HP5 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.d_resolution_low             42.43 
_reflns.d_resolution_high            2.00 
_reflns.number_obs                   14409 
_reflns.percent_possible_obs         100.0 
_reflns.pdbx_Rmerge_I_obs            0.184 
_reflns.pdbx_netI_over_sigmaI        12.4 
_reflns.pdbx_redundancy              25.0 
_reflns.pdbx_Rrim_I_all              0.188 
_reflns.pdbx_Rpim_I_all              0.037 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_number_measured_all     359529 
_reflns.pdbx_chi_squared             1.00 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.number_all                   ? 
_reflns.pdbx_Rsym_value              ? 
_reflns.B_iso_Wilson_estimate        ? 
# 
_reflns_shell.pdbx_diffrn_id              1 
_reflns_shell.pdbx_ordinal                1 
_reflns_shell.d_res_high                  2.00 
_reflns_shell.d_res_low                   2.05 
_reflns_shell.number_measured_all         27205 
_reflns_shell.number_unique_obs           1019 
_reflns_shell.Rmerge_I_obs                9.629 
_reflns_shell.pdbx_chi_squared            0.94 
_reflns_shell.pdbx_redundancy             26.7 
_reflns_shell.percent_possible_obs        100.0 
_reflns_shell.pdbx_netI_over_sigmaI_obs   0.5 
_reflns_shell.pdbx_Rrim_I_all             9.813 
_reflns_shell.pdbx_Rpim_I_all             1.871 
_reflns_shell.pdbx_CC_half                0.313 
_reflns_shell.percent_possible_all        ? 
_reflns_shell.pdbx_Rsym_value             ? 
_reflns_shell.meanI_over_sigI_obs         ? 
# 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.entry_id                                 7HP5 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.ls_number_reflns_obs                     13620 
_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                             42.47 
_refine.ls_d_res_high                            2.00 
_refine.ls_percent_reflns_obs                    99.71 
_refine.ls_R_factor_obs                          0.22780 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       0.22487 
_refine.ls_R_factor_R_free                       0.28291 
_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                  683 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.correlation_coeff_Fo_to_Fc               0.967 
_refine.correlation_coeff_Fo_to_Fc_free          0.944 
_refine.B_iso_mean                               60.492 
_refine.aniso_B[1][1]                            2.10 
_refine.aniso_B[2][2]                            2.10 
_refine.aniso_B[3][3]                            -4.20 
_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                       0.236 
_refine.pdbx_overall_ESU_R_Free                  0.207 
_refine.overall_SU_ML                            0.255 
_refine.pdbx_overall_phase_error                 ? 
_refine.overall_SU_B                             10.373 
_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             89 
_refine_hist.number_atoms_total               1599 
_refine_hist.d_res_high                       2.00 
_refine_hist.d_res_low                        42.47 
# 
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             0.007  0.013  ? 1824 'X-RAY DIFFRACTION' ? 
r_bond_other_d               0.001  0.015  ? 1590 'X-RAY DIFFRACTION' ? 
r_angle_refined_deg          1.522  1.638  ? 2343 'X-RAY DIFFRACTION' ? 
r_angle_other_deg            1.178  1.586  ? 3667 'X-RAY DIFFRACTION' ? 
r_dihedral_angle_1_deg       8.077  5.000  ? 223  'X-RAY DIFFRACTION' ? 
r_dihedral_angle_2_deg       33.041 22.208 ? 77   'X-RAY DIFFRACTION' ? 
r_dihedral_angle_3_deg       15.882 15.000 ? 262  'X-RAY DIFFRACTION' ? 
r_dihedral_angle_4_deg       18.052 15.000 ? 10   'X-RAY DIFFRACTION' ? 
r_chiral_restr               0.055  0.200  ? 210  'X-RAY DIFFRACTION' ? 
r_gen_planes_refined         0.006  0.020  ? 1988 'X-RAY DIFFRACTION' ? 
r_gen_planes_other           0.002  0.020  ? 388  '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                  4.588  6.062  ? 896  'X-RAY DIFFRACTION' ? 
r_mcbond_other               4.588  6.055  ? 892  'X-RAY DIFFRACTION' ? 
r_mcangle_it                 6.595  9.055  ? 1089 'X-RAY DIFFRACTION' ? 
r_mcangle_other              6.596  9.059  ? 1090 'X-RAY DIFFRACTION' ? 
r_scbond_it                  4.943  6.658  ? 927  'X-RAY DIFFRACTION' ? 
r_scbond_other               4.943  6.657  ? 927  'X-RAY DIFFRACTION' ? 
r_scangle_it                 ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_scangle_other              7.653  9.721  ? 1255 'X-RAY DIFFRACTION' ? 
r_long_range_B_refined       11.572 70.617 ? 1933 'X-RAY DIFFRACTION' ? 
r_long_range_B_other         11.513 70.365 ? 1917 '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                       2.000 
_refine_ls_shell.d_res_low                        2.052 
_refine_ls_shell.number_reflns_R_work             944 
_refine_ls_shell.R_factor_R_work                  0.406 
_refine_ls_shell.percent_reflns_obs               97.54 
_refine_ls_shell.R_factor_R_free                  0.545 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             47 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.R_factor_all                     ? 
# 
_struct.entry_id                  7HP5 
_struct.title                     
'PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014897-001' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HP5 
_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 7HP5 A 3 ? 46  ? Q32ZE1 1414 ? 1457 ? 46 89  
2 2 7HP5 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 7HP5 SER A 1  ? UNP Q32ZE1 ?   ?    'expression tag'        44  1 
1 7HP5 MET A 2  ? UNP Q32ZE1 ?   ?    'expression tag'        45  2 
2 7HP5 MET B 1  ? UNP Q32ZE1 ?   ?    'initiating methionine' 10  3 
2 7HP5 LYS B 98 ? UNP Q32ZE1 ARG 1605 conflict                107 4 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 5340 ? 
1 MORE         -16  ? 
1 'SSA (A^2)'  9590 ? 
# 
_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               1.878 
_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 ? ALA B 118 ? GLY B 121 ALA B 127 
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 ALA A 13  ? N ALA A 56  O VAL B 13  ? O VAL B 22  
AA1 4 5 N GLY B 12  ? N GLY B 21  O MET B 32  ? O MET B 41  
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 LEU B 89  ? N LEU B 98  O PRO B 129 ? O PRO B 138 
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                   7HP5 
_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 OH  B TYR 161 ? ? O1 B A1BHA 204 ? C 1.97 
2 1 OH  B TYR 161 ? ? O1 B A1BHA 204 ? D 1.97 
3 1 OE1 B GLU 17  ? ? O  B HOH   301 ? ? 2.08 
4 1 O   B TYR 130 ? ? N2 B A1BHA 204 ? C 2.09 
5 1 O   B TYR 130 ? ? N2 B A1BHA 204 ? D 2.09 
6 1 O   A LYS 63  ? ? O  A HOH   101 ? ? 2.12 
7 1 O   B HOH 318 ? ? O  B HOH   363 ? ? 2.13 
8 1 O   B VAL 146 ? ? O  B HOH   302 ? ? 2.19 
9 1 OH  A TYR 52  ? ? O  A HOH   102 ? ? 2.19 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O B HOH 311 ? ? 1_555 O B HOH 311 ? ? 5_455 1.22 
2 1 O B HOH 310 ? ? 1_555 O B HOH 356 ? ? 5_455 2.12 
# 
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 SER A 71  ? ? -141.23 53.42  
2 1 CYS B 80  ? ? 84.91   -5.07  
3 1 LYS B 157 ? ? -26.84  -60.82 
# 
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 359 ? H HOH . 
2 1 B HOH 366 ? 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 
A1BHA N1   N Y N 1   
A1BHA N3   N Y N 2   
A1BHA C4   C Y N 3   
A1BHA C5   C N N 4   
A1BHA C6   C Y N 5   
A1BHA C7   C Y N 6   
A1BHA C8   C Y N 7   
A1BHA C10  C Y N 8   
A1BHA C13  C N N 9   
A1BHA C1   C N N 10  
A1BHA O1   O N N 11  
A1BHA C2   C Y N 12  
A1BHA C3   C Y N 13  
A1BHA O2   O N N 14  
A1BHA N2   N Y N 15  
A1BHA C9   C Y N 16  
A1BHA N4   N N N 17  
A1BHA C11  C N N 18  
A1BHA C12  C N N 19  
A1BHA N5   N N N 20  
A1BHA C14  C N N 21  
A1BHA N6   N Y N 22  
A1BHA H5   H N N 23  
A1BHA H6   H N N 24  
A1BHA H7   H N N 25  
A1BHA H8   H N N 26  
A1BHA H15  H N N 27  
A1BHA H16  H N N 28  
A1BHA H3   H N N 29  
A1BHA H1   H N N 30  
A1BHA H2   H N N 31  
A1BHA H4   H N N 32  
A1BHA H9   H N N 33  
A1BHA H10  H N N 34  
A1BHA H11  H N N 35  
A1BHA H12  H N N 36  
A1BHA H13  H N N 37  
A1BHA H19  H N N 38  
A1BHA H17  H N N 39  
A1BHA H18  H N N 40  
ALA   N    N N N 41  
ALA   CA   C N S 42  
ALA   C    C N N 43  
ALA   O    O N N 44  
ALA   CB   C N N 45  
ALA   OXT  O N N 46  
ALA   H    H N N 47  
ALA   H2   H N N 48  
ALA   HA   H N N 49  
ALA   HB1  H N N 50  
ALA   HB2  H N N 51  
ALA   HB3  H N N 52  
ALA   HXT  H N N 53  
ARG   N    N N N 54  
ARG   CA   C N S 55  
ARG   C    C N N 56  
ARG   O    O N N 57  
ARG   CB   C N N 58  
ARG   CG   C N N 59  
ARG   CD   C N N 60  
ARG   NE   N N N 61  
ARG   CZ   C N N 62  
ARG   NH1  N N N 63  
ARG   NH2  N N N 64  
ARG   OXT  O N N 65  
ARG   H    H N N 66  
ARG   H2   H N N 67  
ARG   HA   H N N 68  
ARG   HB2  H N N 69  
ARG   HB3  H N N 70  
ARG   HG2  H N N 71  
ARG   HG3  H N N 72  
ARG   HD2  H N N 73  
ARG   HD3  H N N 74  
ARG   HE   H N N 75  
ARG   HH11 H N N 76  
ARG   HH12 H N N 77  
ARG   HH21 H N N 78  
ARG   HH22 H N N 79  
ARG   HXT  H N N 80  
ASN   N    N N N 81  
ASN   CA   C N S 82  
ASN   C    C N N 83  
ASN   O    O N N 84  
ASN   CB   C N N 85  
ASN   CG   C N N 86  
ASN   OD1  O N N 87  
ASN   ND2  N N N 88  
ASN   OXT  O N N 89  
ASN   H    H N N 90  
ASN   H2   H N N 91  
ASN   HA   H N N 92  
ASN   HB2  H N N 93  
ASN   HB3  H N N 94  
ASN   HD21 H N N 95  
ASN   HD22 H N N 96  
ASN   HXT  H N N 97  
ASP   N    N N N 98  
ASP   CA   C N S 99  
ASP   C    C N N 100 
ASP   O    O N N 101 
ASP   CB   C N N 102 
ASP   CG   C N N 103 
ASP   OD1  O N N 104 
ASP   OD2  O N N 105 
ASP   OXT  O N N 106 
ASP   H    H N N 107 
ASP   H2   H N N 108 
ASP   HA   H N N 109 
ASP   HB2  H N N 110 
ASP   HB3  H N N 111 
ASP   HD2  H N N 112 
ASP   HXT  H N N 113 
CYS   N    N N N 114 
CYS   CA   C N R 115 
CYS   C    C N N 116 
CYS   O    O N N 117 
CYS   CB   C N N 118 
CYS   SG   S N N 119 
CYS   OXT  O N N 120 
CYS   H    H N N 121 
CYS   H2   H N N 122 
CYS   HA   H N N 123 
CYS   HB2  H N N 124 
CYS   HB3  H N N 125 
CYS   HG   H N N 126 
CYS   HXT  H N N 127 
DMS   S    S N N 128 
DMS   O    O N N 129 
DMS   C1   C N N 130 
DMS   C2   C N N 131 
DMS   H11  H N N 132 
DMS   H12  H N N 133 
DMS   H13  H N N 134 
DMS   H21  H N N 135 
DMS   H22  H N N 136 
DMS   H23  H N N 137 
GLN   N    N N N 138 
GLN   CA   C N S 139 
GLN   C    C N N 140 
GLN   O    O N N 141 
GLN   CB   C N N 142 
GLN   CG   C N N 143 
GLN   CD   C N N 144 
GLN   OE1  O N N 145 
GLN   NE2  N N N 146 
GLN   OXT  O N N 147 
GLN   H    H N N 148 
GLN   H2   H N N 149 
GLN   HA   H N N 150 
GLN   HB2  H N N 151 
GLN   HB3  H N N 152 
GLN   HG2  H N N 153 
GLN   HG3  H N N 154 
GLN   HE21 H N N 155 
GLN   HE22 H N N 156 
GLN   HXT  H N N 157 
GLU   N    N N N 158 
GLU   CA   C N S 159 
GLU   C    C N N 160 
GLU   O    O N N 161 
GLU   CB   C N N 162 
GLU   CG   C N N 163 
GLU   CD   C N N 164 
GLU   OE1  O N N 165 
GLU   OE2  O N N 166 
GLU   OXT  O N N 167 
GLU   H    H N N 168 
GLU   H2   H N N 169 
GLU   HA   H N N 170 
GLU   HB2  H N N 171 
GLU   HB3  H N N 172 
GLU   HG2  H N N 173 
GLU   HG3  H N N 174 
GLU   HE2  H N N 175 
GLU   HXT  H N N 176 
GLY   N    N N N 177 
GLY   CA   C N N 178 
GLY   C    C N N 179 
GLY   O    O N N 180 
GLY   OXT  O N N 181 
GLY   H    H N N 182 
GLY   H2   H N N 183 
GLY   HA2  H N N 184 
GLY   HA3  H N N 185 
GLY   HXT  H N N 186 
HIS   N    N N N 187 
HIS   CA   C N S 188 
HIS   C    C N N 189 
HIS   O    O N N 190 
HIS   CB   C N N 191 
HIS   CG   C Y N 192 
HIS   ND1  N Y N 193 
HIS   CD2  C Y N 194 
HIS   CE1  C Y N 195 
HIS   NE2  N Y N 196 
HIS   OXT  O N N 197 
HIS   H    H N N 198 
HIS   H2   H N N 199 
HIS   HA   H N N 200 
HIS   HB2  H N N 201 
HIS   HB3  H N N 202 
HIS   HD1  H N N 203 
HIS   HD2  H N N 204 
HIS   HE1  H N N 205 
HIS   HE2  H N N 206 
HIS   HXT  H N N 207 
HOH   O    O N N 208 
HOH   H1   H N N 209 
HOH   H2   H N N 210 
ILE   N    N N N 211 
ILE   CA   C N S 212 
ILE   C    C N N 213 
ILE   O    O N N 214 
ILE   CB   C N S 215 
ILE   CG1  C N N 216 
ILE   CG2  C N N 217 
ILE   CD1  C N N 218 
ILE   OXT  O N N 219 
ILE   H    H N N 220 
ILE   H2   H N N 221 
ILE   HA   H N N 222 
ILE   HB   H N N 223 
ILE   HG12 H N N 224 
ILE   HG13 H N N 225 
ILE   HG21 H N N 226 
ILE   HG22 H N N 227 
ILE   HG23 H N N 228 
ILE   HD11 H N N 229 
ILE   HD12 H N N 230 
ILE   HD13 H N N 231 
ILE   HXT  H N N 232 
LEU   N    N N N 233 
LEU   CA   C N S 234 
LEU   C    C N N 235 
LEU   O    O N N 236 
LEU   CB   C N N 237 
LEU   CG   C N N 238 
LEU   CD1  C N N 239 
LEU   CD2  C N N 240 
LEU   OXT  O N N 241 
LEU   H    H N N 242 
LEU   H2   H N N 243 
LEU   HA   H N N 244 
LEU   HB2  H N N 245 
LEU   HB3  H N N 246 
LEU   HG   H N N 247 
LEU   HD11 H N N 248 
LEU   HD12 H N N 249 
LEU   HD13 H N N 250 
LEU   HD21 H N N 251 
LEU   HD22 H N N 252 
LEU   HD23 H N N 253 
LEU   HXT  H N N 254 
LYS   N    N N N 255 
LYS   CA   C N S 256 
LYS   C    C N N 257 
LYS   O    O N N 258 
LYS   CB   C N N 259 
LYS   CG   C N N 260 
LYS   CD   C N N 261 
LYS   CE   C N N 262 
LYS   NZ   N N N 263 
LYS   OXT  O N N 264 
LYS   H    H N N 265 
LYS   H2   H N N 266 
LYS   HA   H N N 267 
LYS   HB2  H N N 268 
LYS   HB3  H N N 269 
LYS   HG2  H N N 270 
LYS   HG3  H N N 271 
LYS   HD2  H N N 272 
LYS   HD3  H N N 273 
LYS   HE2  H N N 274 
LYS   HE3  H N N 275 
LYS   HZ1  H N N 276 
LYS   HZ2  H N N 277 
LYS   HZ3  H N N 278 
LYS   HXT  H N N 279 
MET   N    N N N 280 
MET   CA   C N S 281 
MET   C    C N N 282 
MET   O    O N N 283 
MET   CB   C N N 284 
MET   CG   C N N 285 
MET   SD   S N N 286 
MET   CE   C N N 287 
MET   OXT  O N N 288 
MET   H    H N N 289 
MET   H2   H N N 290 
MET   HA   H N N 291 
MET   HB2  H N N 292 
MET   HB3  H N N 293 
MET   HG2  H N N 294 
MET   HG3  H N N 295 
MET   HE1  H N N 296 
MET   HE2  H N N 297 
MET   HE3  H N N 298 
MET   HXT  H N N 299 
PHE   N    N N N 300 
PHE   CA   C N S 301 
PHE   C    C N N 302 
PHE   O    O N N 303 
PHE   CB   C N N 304 
PHE   CG   C Y N 305 
PHE   CD1  C Y N 306 
PHE   CD2  C Y N 307 
PHE   CE1  C Y N 308 
PHE   CE2  C Y N 309 
PHE   CZ   C Y N 310 
PHE   OXT  O N N 311 
PHE   H    H N N 312 
PHE   H2   H N N 313 
PHE   HA   H N N 314 
PHE   HB2  H N N 315 
PHE   HB3  H N N 316 
PHE   HD1  H N N 317 
PHE   HD2  H N N 318 
PHE   HE1  H N N 319 
PHE   HE2  H N N 320 
PHE   HZ   H N N 321 
PHE   HXT  H N N 322 
PRO   N    N N N 323 
PRO   CA   C N S 324 
PRO   C    C N N 325 
PRO   O    O N N 326 
PRO   CB   C N N 327 
PRO   CG   C N N 328 
PRO   CD   C N N 329 
PRO   OXT  O N N 330 
PRO   H    H N N 331 
PRO   HA   H N N 332 
PRO   HB2  H N N 333 
PRO   HB3  H N N 334 
PRO   HG2  H N N 335 
PRO   HG3  H N N 336 
PRO   HD2  H N N 337 
PRO   HD3  H N N 338 
PRO   HXT  H N N 339 
SER   N    N N N 340 
SER   CA   C N S 341 
SER   C    C N N 342 
SER   O    O N N 343 
SER   CB   C N N 344 
SER   OG   O N N 345 
SER   OXT  O N N 346 
SER   H    H N N 347 
SER   H2   H N N 348 
SER   HA   H N N 349 
SER   HB2  H N N 350 
SER   HB3  H N N 351 
SER   HG   H N N 352 
SER   HXT  H N N 353 
THR   N    N N N 354 
THR   CA   C N S 355 
THR   C    C N N 356 
THR   O    O N N 357 
THR   CB   C N R 358 
THR   OG1  O N N 359 
THR   CG2  C N N 360 
THR   OXT  O N N 361 
THR   H    H N N 362 
THR   H2   H N N 363 
THR   HA   H N N 364 
THR   HB   H N N 365 
THR   HG1  H N N 366 
THR   HG21 H N N 367 
THR   HG22 H N N 368 
THR   HG23 H N N 369 
THR   HXT  H N N 370 
TRP   N    N N N 371 
TRP   CA   C N S 372 
TRP   C    C N N 373 
TRP   O    O N N 374 
TRP   CB   C N N 375 
TRP   CG   C Y N 376 
TRP   CD1  C Y N 377 
TRP   CD2  C Y N 378 
TRP   NE1  N Y N 379 
TRP   CE2  C Y N 380 
TRP   CE3  C Y N 381 
TRP   CZ2  C Y N 382 
TRP   CZ3  C Y N 383 
TRP   CH2  C Y N 384 
TRP   OXT  O N N 385 
TRP   H    H N N 386 
TRP   H2   H N N 387 
TRP   HA   H N N 388 
TRP   HB2  H N N 389 
TRP   HB3  H N N 390 
TRP   HD1  H N N 391 
TRP   HE1  H N N 392 
TRP   HE3  H N N 393 
TRP   HZ2  H N N 394 
TRP   HZ3  H N N 395 
TRP   HH2  H N N 396 
TRP   HXT  H N N 397 
TYR   N    N N N 398 
TYR   CA   C N S 399 
TYR   C    C N N 400 
TYR   O    O N N 401 
TYR   CB   C N N 402 
TYR   CG   C Y N 403 
TYR   CD1  C Y N 404 
TYR   CD2  C Y N 405 
TYR   CE1  C Y N 406 
TYR   CE2  C Y N 407 
TYR   CZ   C Y N 408 
TYR   OH   O N N 409 
TYR   OXT  O N N 410 
TYR   H    H N N 411 
TYR   H2   H N N 412 
TYR   HA   H N N 413 
TYR   HB2  H N N 414 
TYR   HB3  H N N 415 
TYR   HD1  H N N 416 
TYR   HD2  H N N 417 
TYR   HE1  H N N 418 
TYR   HE2  H N N 419 
TYR   HH   H N N 420 
TYR   HXT  H N N 421 
VAL   N    N N N 422 
VAL   CA   C N S 423 
VAL   C    C N N 424 
VAL   O    O N N 425 
VAL   CB   C N N 426 
VAL   CG1  C N N 427 
VAL   CG2  C N N 428 
VAL   OXT  O N N 429 
VAL   H    H N N 430 
VAL   H2   H N N 431 
VAL   HA   H N N 432 
VAL   HB   H N N 433 
VAL   HG11 H N N 434 
VAL   HG12 H N N 435 
VAL   HG13 H N N 436 
VAL   HG21 H N N 437 
VAL   HG22 H N N 438 
VAL   HG23 H N N 439 
VAL   HXT  H N N 440 
# 
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 
A1BHA C1  O1   sing N N 1   
A1BHA O1  C2   sing N N 2   
A1BHA C2  C3   doub Y N 3   
A1BHA C3  C4   sing Y N 4   
A1BHA C4  C5   sing N N 5   
A1BHA C5  O2   sing N N 6   
A1BHA O2  C6   sing N N 7   
A1BHA C6  C7   doub Y N 8   
A1BHA C7  N1   sing Y N 9   
A1BHA N1  C8   doub Y N 10  
A1BHA C8  N2   sing Y N 11  
A1BHA N2  C9   doub Y N 12  
A1BHA C4  N3   doub Y N 13  
A1BHA N3  C10  sing Y N 14  
A1BHA C10 N4   sing N N 15  
A1BHA N4  C11  sing N N 16  
A1BHA C11 C12  sing N N 17  
A1BHA C12 N5   sing N N 18  
A1BHA N5  C13  sing N N 19  
A1BHA C13 C14  sing N N 20  
A1BHA C10 N6   doub Y N 21  
A1BHA C2  N6   sing Y N 22  
A1BHA C6  C9   sing Y N 23  
A1BHA N4  C14  sing N N 24  
A1BHA C5  H5   sing N N 25  
A1BHA C5  H6   sing N N 26  
A1BHA C7  H7   sing N N 27  
A1BHA C8  H8   sing N N 28  
A1BHA C13 H15  sing N N 29  
A1BHA C13 H16  sing N N 30  
A1BHA C1  H3   sing N N 31  
A1BHA C1  H1   sing N N 32  
A1BHA C1  H2   sing N N 33  
A1BHA C3  H4   sing N N 34  
A1BHA C9  H9   sing N N 35  
A1BHA C11 H10  sing N N 36  
A1BHA C11 H11  sing N N 37  
A1BHA C12 H12  sing N N 38  
A1BHA C12 H13  sing N N 39  
A1BHA N5  H19  sing N N 40  
A1BHA C14 H17  sing N N 41  
A1BHA C14 H18  sing N N 42  
ALA   N   CA   sing N N 43  
ALA   N   H    sing N N 44  
ALA   N   H2   sing N N 45  
ALA   CA  C    sing N N 46  
ALA   CA  CB   sing N N 47  
ALA   CA  HA   sing N N 48  
ALA   C   O    doub N N 49  
ALA   C   OXT  sing N N 50  
ALA   CB  HB1  sing N N 51  
ALA   CB  HB2  sing N N 52  
ALA   CB  HB3  sing N N 53  
ALA   OXT HXT  sing N N 54  
ARG   N   CA   sing N N 55  
ARG   N   H    sing N N 56  
ARG   N   H2   sing N N 57  
ARG   CA  C    sing N N 58  
ARG   CA  CB   sing N N 59  
ARG   CA  HA   sing N N 60  
ARG   C   O    doub N N 61  
ARG   C   OXT  sing N N 62  
ARG   CB  CG   sing N N 63  
ARG   CB  HB2  sing N N 64  
ARG   CB  HB3  sing N N 65  
ARG   CG  CD   sing N N 66  
ARG   CG  HG2  sing N N 67  
ARG   CG  HG3  sing N N 68  
ARG   CD  NE   sing N N 69  
ARG   CD  HD2  sing N N 70  
ARG   CD  HD3  sing N N 71  
ARG   NE  CZ   sing N N 72  
ARG   NE  HE   sing N N 73  
ARG   CZ  NH1  sing N N 74  
ARG   CZ  NH2  doub N N 75  
ARG   NH1 HH11 sing N N 76  
ARG   NH1 HH12 sing N N 77  
ARG   NH2 HH21 sing N N 78  
ARG   NH2 HH22 sing N N 79  
ARG   OXT HXT  sing N N 80  
ASN   N   CA   sing N N 81  
ASN   N   H    sing N N 82  
ASN   N   H2   sing N N 83  
ASN   CA  C    sing N N 84  
ASN   CA  CB   sing N N 85  
ASN   CA  HA   sing N N 86  
ASN   C   O    doub N N 87  
ASN   C   OXT  sing N N 88  
ASN   CB  CG   sing N N 89  
ASN   CB  HB2  sing N N 90  
ASN   CB  HB3  sing N N 91  
ASN   CG  OD1  doub N N 92  
ASN   CG  ND2  sing N N 93  
ASN   ND2 HD21 sing N N 94  
ASN   ND2 HD22 sing N N 95  
ASN   OXT HXT  sing N N 96  
ASP   N   CA   sing N N 97  
ASP   N   H    sing N N 98  
ASP   N   H2   sing N N 99  
ASP   CA  C    sing N N 100 
ASP   CA  CB   sing N N 101 
ASP   CA  HA   sing N N 102 
ASP   C   O    doub N N 103 
ASP   C   OXT  sing N N 104 
ASP   CB  CG   sing N N 105 
ASP   CB  HB2  sing N N 106 
ASP   CB  HB3  sing N N 107 
ASP   CG  OD1  doub N N 108 
ASP   CG  OD2  sing N N 109 
ASP   OD2 HD2  sing N N 110 
ASP   OXT HXT  sing N N 111 
CYS   N   CA   sing N N 112 
CYS   N   H    sing N N 113 
CYS   N   H2   sing N N 114 
CYS   CA  C    sing N N 115 
CYS   CA  CB   sing N N 116 
CYS   CA  HA   sing N N 117 
CYS   C   O    doub N N 118 
CYS   C   OXT  sing N N 119 
CYS   CB  SG   sing N N 120 
CYS   CB  HB2  sing N N 121 
CYS   CB  HB3  sing N N 122 
CYS   SG  HG   sing N N 123 
CYS   OXT HXT  sing N N 124 
DMS   S   O    doub N N 125 
DMS   S   C1   sing N N 126 
DMS   S   C2   sing N N 127 
DMS   C1  H11  sing N N 128 
DMS   C1  H12  sing N N 129 
DMS   C1  H13  sing N N 130 
DMS   C2  H21  sing N N 131 
DMS   C2  H22  sing N N 132 
DMS   C2  H23  sing N N 133 
GLN   N   CA   sing N N 134 
GLN   N   H    sing N N 135 
GLN   N   H2   sing N N 136 
GLN   CA  C    sing N N 137 
GLN   CA  CB   sing N N 138 
GLN   CA  HA   sing N N 139 
GLN   C   O    doub N N 140 
GLN   C   OXT  sing N N 141 
GLN   CB  CG   sing N N 142 
GLN   CB  HB2  sing N N 143 
GLN   CB  HB3  sing N N 144 
GLN   CG  CD   sing N N 145 
GLN   CG  HG2  sing N N 146 
GLN   CG  HG3  sing N N 147 
GLN   CD  OE1  doub N N 148 
GLN   CD  NE2  sing N N 149 
GLN   NE2 HE21 sing N N 150 
GLN   NE2 HE22 sing N N 151 
GLN   OXT HXT  sing N N 152 
GLU   N   CA   sing N N 153 
GLU   N   H    sing N N 154 
GLU   N   H2   sing N N 155 
GLU   CA  C    sing N N 156 
GLU   CA  CB   sing N N 157 
GLU   CA  HA   sing N N 158 
GLU   C   O    doub N N 159 
GLU   C   OXT  sing N N 160 
GLU   CB  CG   sing N N 161 
GLU   CB  HB2  sing N N 162 
GLU   CB  HB3  sing N N 163 
GLU   CG  CD   sing N N 164 
GLU   CG  HG2  sing N N 165 
GLU   CG  HG3  sing N N 166 
GLU   CD  OE1  doub N N 167 
GLU   CD  OE2  sing N N 168 
GLU   OE2 HE2  sing N N 169 
GLU   OXT HXT  sing N N 170 
GLY   N   CA   sing N N 171 
GLY   N   H    sing N N 172 
GLY   N   H2   sing N N 173 
GLY   CA  C    sing N N 174 
GLY   CA  HA2  sing N N 175 
GLY   CA  HA3  sing N N 176 
GLY   C   O    doub N N 177 
GLY   C   OXT  sing N N 178 
GLY   OXT HXT  sing N N 179 
HIS   N   CA   sing N N 180 
HIS   N   H    sing N N 181 
HIS   N   H2   sing N N 182 
HIS   CA  C    sing N N 183 
HIS   CA  CB   sing N N 184 
HIS   CA  HA   sing N N 185 
HIS   C   O    doub N N 186 
HIS   C   OXT  sing N N 187 
HIS   CB  CG   sing N N 188 
HIS   CB  HB2  sing N N 189 
HIS   CB  HB3  sing N N 190 
HIS   CG  ND1  sing Y N 191 
HIS   CG  CD2  doub Y N 192 
HIS   ND1 CE1  doub Y N 193 
HIS   ND1 HD1  sing N N 194 
HIS   CD2 NE2  sing Y N 195 
HIS   CD2 HD2  sing N N 196 
HIS   CE1 NE2  sing Y N 197 
HIS   CE1 HE1  sing N N 198 
HIS   NE2 HE2  sing N N 199 
HIS   OXT HXT  sing N N 200 
HOH   O   H1   sing N N 201 
HOH   O   H2   sing N N 202 
ILE   N   CA   sing N N 203 
ILE   N   H    sing N N 204 
ILE   N   H2   sing N N 205 
ILE   CA  C    sing N N 206 
ILE   CA  CB   sing N N 207 
ILE   CA  HA   sing N N 208 
ILE   C   O    doub N N 209 
ILE   C   OXT  sing N N 210 
ILE   CB  CG1  sing N N 211 
ILE   CB  CG2  sing N N 212 
ILE   CB  HB   sing N N 213 
ILE   CG1 CD1  sing N N 214 
ILE   CG1 HG12 sing N N 215 
ILE   CG1 HG13 sing N N 216 
ILE   CG2 HG21 sing N N 217 
ILE   CG2 HG22 sing N N 218 
ILE   CG2 HG23 sing N N 219 
ILE   CD1 HD11 sing N N 220 
ILE   CD1 HD12 sing N N 221 
ILE   CD1 HD13 sing N N 222 
ILE   OXT HXT  sing N N 223 
LEU   N   CA   sing N N 224 
LEU   N   H    sing N N 225 
LEU   N   H2   sing N N 226 
LEU   CA  C    sing N N 227 
LEU   CA  CB   sing N N 228 
LEU   CA  HA   sing N N 229 
LEU   C   O    doub N N 230 
LEU   C   OXT  sing N N 231 
LEU   CB  CG   sing N N 232 
LEU   CB  HB2  sing N N 233 
LEU   CB  HB3  sing N N 234 
LEU   CG  CD1  sing N N 235 
LEU   CG  CD2  sing N N 236 
LEU   CG  HG   sing N N 237 
LEU   CD1 HD11 sing N N 238 
LEU   CD1 HD12 sing N N 239 
LEU   CD1 HD13 sing N N 240 
LEU   CD2 HD21 sing N N 241 
LEU   CD2 HD22 sing N N 242 
LEU   CD2 HD23 sing N N 243 
LEU   OXT HXT  sing N N 244 
LYS   N   CA   sing N N 245 
LYS   N   H    sing N N 246 
LYS   N   H2   sing N N 247 
LYS   CA  C    sing N N 248 
LYS   CA  CB   sing N N 249 
LYS   CA  HA   sing N N 250 
LYS   C   O    doub N N 251 
LYS   C   OXT  sing N N 252 
LYS   CB  CG   sing N N 253 
LYS   CB  HB2  sing N N 254 
LYS   CB  HB3  sing N N 255 
LYS   CG  CD   sing N N 256 
LYS   CG  HG2  sing N N 257 
LYS   CG  HG3  sing N N 258 
LYS   CD  CE   sing N N 259 
LYS   CD  HD2  sing N N 260 
LYS   CD  HD3  sing N N 261 
LYS   CE  NZ   sing N N 262 
LYS   CE  HE2  sing N N 263 
LYS   CE  HE3  sing N N 264 
LYS   NZ  HZ1  sing N N 265 
LYS   NZ  HZ2  sing N N 266 
LYS   NZ  HZ3  sing N N 267 
LYS   OXT HXT  sing N N 268 
MET   N   CA   sing N N 269 
MET   N   H    sing N N 270 
MET   N   H2   sing N N 271 
MET   CA  C    sing N N 272 
MET   CA  CB   sing N N 273 
MET   CA  HA   sing N N 274 
MET   C   O    doub N N 275 
MET   C   OXT  sing N N 276 
MET   CB  CG   sing N N 277 
MET   CB  HB2  sing N N 278 
MET   CB  HB3  sing N N 279 
MET   CG  SD   sing N N 280 
MET   CG  HG2  sing N N 281 
MET   CG  HG3  sing N N 282 
MET   SD  CE   sing N N 283 
MET   CE  HE1  sing N N 284 
MET   CE  HE2  sing N N 285 
MET   CE  HE3  sing N N 286 
MET   OXT HXT  sing N N 287 
PHE   N   CA   sing N N 288 
PHE   N   H    sing N N 289 
PHE   N   H2   sing N N 290 
PHE   CA  C    sing N N 291 
PHE   CA  CB   sing N N 292 
PHE   CA  HA   sing N N 293 
PHE   C   O    doub N N 294 
PHE   C   OXT  sing N N 295 
PHE   CB  CG   sing N N 296 
PHE   CB  HB2  sing N N 297 
PHE   CB  HB3  sing N N 298 
PHE   CG  CD1  doub Y N 299 
PHE   CG  CD2  sing Y N 300 
PHE   CD1 CE1  sing Y N 301 
PHE   CD1 HD1  sing N N 302 
PHE   CD2 CE2  doub Y N 303 
PHE   CD2 HD2  sing N N 304 
PHE   CE1 CZ   doub Y N 305 
PHE   CE1 HE1  sing N N 306 
PHE   CE2 CZ   sing Y N 307 
PHE   CE2 HE2  sing N N 308 
PHE   CZ  HZ   sing N N 309 
PHE   OXT HXT  sing N N 310 
PRO   N   CA   sing N N 311 
PRO   N   CD   sing N N 312 
PRO   N   H    sing N N 313 
PRO   CA  C    sing N N 314 
PRO   CA  CB   sing N N 315 
PRO   CA  HA   sing N N 316 
PRO   C   O    doub N N 317 
PRO   C   OXT  sing N N 318 
PRO   CB  CG   sing N N 319 
PRO   CB  HB2  sing N N 320 
PRO   CB  HB3  sing N N 321 
PRO   CG  CD   sing N N 322 
PRO   CG  HG2  sing N N 323 
PRO   CG  HG3  sing N N 324 
PRO   CD  HD2  sing N N 325 
PRO   CD  HD3  sing N N 326 
PRO   OXT HXT  sing N N 327 
SER   N   CA   sing N N 328 
SER   N   H    sing N N 329 
SER   N   H2   sing N N 330 
SER   CA  C    sing N N 331 
SER   CA  CB   sing N N 332 
SER   CA  HA   sing N N 333 
SER   C   O    doub N N 334 
SER   C   OXT  sing N N 335 
SER   CB  OG   sing N N 336 
SER   CB  HB2  sing N N 337 
SER   CB  HB3  sing N N 338 
SER   OG  HG   sing N N 339 
SER   OXT HXT  sing N N 340 
THR   N   CA   sing N N 341 
THR   N   H    sing N N 342 
THR   N   H2   sing N N 343 
THR   CA  C    sing N N 344 
THR   CA  CB   sing N N 345 
THR   CA  HA   sing N N 346 
THR   C   O    doub N N 347 
THR   C   OXT  sing N N 348 
THR   CB  OG1  sing N N 349 
THR   CB  CG2  sing N N 350 
THR   CB  HB   sing N N 351 
THR   OG1 HG1  sing N N 352 
THR   CG2 HG21 sing N N 353 
THR   CG2 HG22 sing N N 354 
THR   CG2 HG23 sing N N 355 
THR   OXT HXT  sing N N 356 
TRP   N   CA   sing N N 357 
TRP   N   H    sing N N 358 
TRP   N   H2   sing N N 359 
TRP   CA  C    sing N N 360 
TRP   CA  CB   sing N N 361 
TRP   CA  HA   sing N N 362 
TRP   C   O    doub N N 363 
TRP   C   OXT  sing N N 364 
TRP   CB  CG   sing N N 365 
TRP   CB  HB2  sing N N 366 
TRP   CB  HB3  sing N N 367 
TRP   CG  CD1  doub Y N 368 
TRP   CG  CD2  sing Y N 369 
TRP   CD1 NE1  sing Y N 370 
TRP   CD1 HD1  sing N N 371 
TRP   CD2 CE2  doub Y N 372 
TRP   CD2 CE3  sing Y N 373 
TRP   NE1 CE2  sing Y N 374 
TRP   NE1 HE1  sing N N 375 
TRP   CE2 CZ2  sing Y N 376 
TRP   CE3 CZ3  doub Y N 377 
TRP   CE3 HE3  sing N N 378 
TRP   CZ2 CH2  doub Y N 379 
TRP   CZ2 HZ2  sing N N 380 
TRP   CZ3 CH2  sing Y N 381 
TRP   CZ3 HZ3  sing N N 382 
TRP   CH2 HH2  sing N N 383 
TRP   OXT HXT  sing N N 384 
TYR   N   CA   sing N N 385 
TYR   N   H    sing N N 386 
TYR   N   H2   sing N N 387 
TYR   CA  C    sing N N 388 
TYR   CA  CB   sing N N 389 
TYR   CA  HA   sing N N 390 
TYR   C   O    doub N N 391 
TYR   C   OXT  sing N N 392 
TYR   CB  CG   sing N N 393 
TYR   CB  HB2  sing N N 394 
TYR   CB  HB3  sing N N 395 
TYR   CG  CD1  doub Y N 396 
TYR   CG  CD2  sing Y N 397 
TYR   CD1 CE1  sing Y N 398 
TYR   CD1 HD1  sing N N 399 
TYR   CD2 CE2  doub Y N 400 
TYR   CD2 HD2  sing N N 401 
TYR   CE1 CZ   doub Y N 402 
TYR   CE1 HE1  sing N N 403 
TYR   CE2 CZ   sing Y N 404 
TYR   CE2 HE2  sing N N 405 
TYR   CZ  OH   sing N N 406 
TYR   OH  HH   sing N N 407 
TYR   OXT HXT  sing N N 408 
VAL   N   CA   sing N N 409 
VAL   N   H    sing N N 410 
VAL   N   H2   sing N N 411 
VAL   CA  C    sing N N 412 
VAL   CA  CB   sing N N 413 
VAL   CA  HA   sing N N 414 
VAL   C   O    doub N N 415 
VAL   C   OXT  sing N N 416 
VAL   CB  CG1  sing N N 417 
VAL   CB  CG2  sing N N 418 
VAL   CB  HB   sing N N 419 
VAL   CG1 HG11 sing N N 420 
VAL   CG1 HG12 sing N N 421 
VAL   CG1 HG13 sing N N 422 
VAL   CG2 HG21 sing N N 423 
VAL   CG2 HG22 sing N N 424 
VAL   CG2 HG23 sing N N 425 
VAL   OXT HXT  sing N N 426 
# 
_pdbx_audit_support.funding_organization   
'National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           U19AI171399 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_deposit_group.group_id            G_1002322 
_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' 
# 
_atom_sites.entry_id                    7HP5 
_atom_sites.fract_transf_matrix[1][1]   0.023568 
_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]   0.023568 
_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]   0.004624 
_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   ? -21.232 18.542  -7.169  1.00 78.33  ? 50  ASP   A N   1 
ATOM   2    C CA  . ASP   A 1 7   ? -22.430 17.704  -7.427  1.00 76.76  ? 50  ASP   A CA  1 
ATOM   3    C C   . ASP   A 1 7   ? -22.296 17.097  -8.823  1.00 69.20  ? 50  ASP   A C   1 
ATOM   4    O O   . ASP   A 1 7   ? -22.173 17.846  -9.806  1.00 75.27  ? 50  ASP   A O   1 
ATOM   5    C CB  . ASP   A 1 7   ? -23.737 18.485  -7.275  1.00 79.39  ? 50  ASP   A CB  1 
ATOM   6    C CG  . ASP   A 1 7   ? -24.803 17.717  -6.508  1.00 96.61  ? 50  ASP   A CG  1 
ATOM   7    O OD1 . ASP   A 1 7   ? -25.223 18.207  -5.431  1.00 103.45 ? 50  ASP   A OD1 1 
ATOM   8    O OD2 . ASP   A 1 7   ? -25.198 16.625  -6.982  1.00 105.78 ? 50  ASP   A OD2 1 
ATOM   9    N N   . MET   A 1 8   ? -22.254 15.773  -8.881  1.00 70.10  ? 51  MET   A N   1 
ATOM   10   C CA  . MET   A 1 8   ? -22.204 15.009  -10.145 1.00 66.97  ? 51  MET   A CA  1 
ATOM   11   C C   . MET   A 1 8   ? -23.638 14.751  -10.609 1.00 58.78  ? 51  MET   A C   1 
ATOM   12   O O   . MET   A 1 8   ? -24.567 14.757  -9.769  1.00 59.61  ? 51  MET   A O   1 
ATOM   13   C CB  . MET   A 1 8   ? -21.449 13.687  -9.973  1.00 63.44  ? 51  MET   A CB  1 
ATOM   14   C CG  . MET   A 1 8   ? -20.024 13.892  -9.528  1.00 66.85  ? 51  MET   A CG  1 
ATOM   15   S SD  . MET   A 1 8   ? -19.211 12.330  -9.139  1.00 66.84  ? 51  MET   A SD  1 
ATOM   16   C CE  . MET   A 1 8   ? -17.691 12.926  -8.404  1.00 76.12  ? 51  MET   A CE  1 
ATOM   17   N N   . TYR   A 1 9   ? -23.790 14.573  -11.914 1.00 51.51  ? 52  TYR   A N   1 
ATOM   18   C CA  . TYR   A 1 9   ? -25.081 14.322  -12.603 1.00 52.95  ? 52  TYR   A CA  1 
ATOM   19   C C   . TYR   A 1 9   ? -24.812 13.371  -13.765 1.00 52.04  ? 52  TYR   A C   1 
ATOM   20   O O   . TYR   A 1 9   ? -23.671 13.308  -14.222 1.00 52.37  ? 52  TYR   A O   1 
ATOM   21   C CB  . TYR   A 1 9   ? -25.728 15.631  -13.072 1.00 50.61  ? 52  TYR   A CB  1 
ATOM   22   C CG  . TYR   A 1 9   ? -24.953 16.413  -14.100 1.00 48.55  ? 52  TYR   A CG  1 
ATOM   23   C CD1 . TYR   A 1 9   ? -23.927 17.270  -13.726 1.00 48.95  ? 52  TYR   A CD1 1 
ATOM   24   C CD2 . TYR   A 1 9   ? -25.214 16.261  -15.449 1.00 46.73  ? 52  TYR   A CD2 1 
ATOM   25   C CE1 . TYR   A 1 9   ? -23.198 17.976  -14.670 1.00 44.07  ? 52  TYR   A CE1 1 
ATOM   26   C CE2 . TYR   A 1 9   ? -24.502 16.967  -16.403 1.00 48.86  ? 52  TYR   A CE2 1 
ATOM   27   C CZ  . TYR   A 1 9   ? -23.495 17.830  -16.010 1.00 46.43  ? 52  TYR   A CZ  1 
ATOM   28   O OH  . TYR   A 1 9   ? -22.779 18.500  -16.959 1.00 53.72  ? 52  TYR   A OH  1 
ATOM   29   N N   . ILE   A 1 10  ? -25.852 12.669  -14.218 1.00 58.48  ? 53  ILE   A N   1 
ATOM   30   C CA  . ILE   A 1 10  ? -25.773 11.681  -15.325 1.00 53.16  ? 53  ILE   A CA  1 
ATOM   31   C C   . ILE   A 1 10  ? -26.540 12.217  -16.544 1.00 57.52  ? 53  ILE   A C   1 
ATOM   32   O O   . ILE   A 1 10  ? -27.520 12.995  -16.343 1.00 56.83  ? 53  ILE   A O   1 
ATOM   33   C CB  . ILE   A 1 10  ? -26.246 10.300  -14.832 1.00 52.82  ? 53  ILE   A CB  1 
ATOM   34   C CG1 . ILE   A 1 10  ? -27.736 10.227  -14.497 1.00 58.44  ? 53  ILE   A CG1 1 
ATOM   35   C CG2 . ILE   A 1 10  ? -25.419 9.861   -13.640 1.00 52.88  ? 53  ILE   A CG2 1 
ATOM   36   C CD1 . ILE   A 1 10  ? -28.214 8.813   -14.223 1.00 58.56  ? 53  ILE   A CD1 1 
ATOM   37   N N   . GLU   A 1 11  ? -26.054 11.882  -17.751 1.00 55.12  ? 54  GLU   A N   1 
ATOM   38   C CA  . GLU   A 1 11  ? -26.727 12.104  -19.067 1.00 54.81  ? 54  GLU   A CA  1 
ATOM   39   C C   . GLU   A 1 11  ? -26.681 10.800  -19.874 1.00 52.28  ? 54  GLU   A C   1 
ATOM   40   O O   . GLU   A 1 11  ? -25.591 10.208  -19.971 1.00 48.29  ? 54  GLU   A O   1 
ATOM   41   C CB  . GLU   A 1 11  ? -26.066 13.228  -19.874 1.00 61.58  ? 54  GLU   A CB  1 
ATOM   42   C CG  . GLU   A 1 11  ? -25.292 14.231  -19.040 1.00 72.77  ? 54  GLU   A CG  1 
ATOM   43   C CD  . GLU   A 1 11  ? -24.956 15.543  -19.742 1.00 79.47  ? 54  GLU   A CD  1 
ATOM   44   O OE1 . GLU   A 1 11  ? -24.198 15.521  -20.738 1.00 76.49  ? 54  GLU   A OE1 1 
ATOM   45   O OE2 . GLU   A 1 11  ? -25.448 16.593  -19.280 1.00 87.71  ? 54  GLU   A OE2 1 
ATOM   46   N N   . ARG   A 1 12  ? -27.806 10.375  -20.442 1.00 46.95  ? 55  ARG   A N   1 
ATOM   47   C CA  . ARG   A 1 12  ? -27.907 9.122   -21.235 1.00 53.09  ? 55  ARG   A CA  1 
ATOM   48   C C   . ARG   A 1 12  ? -27.019 9.262   -22.472 1.00 61.31  ? 55  ARG   A C   1 
ATOM   49   O O   . ARG   A 1 12  ? -26.961 10.387  -23.013 1.00 72.15  ? 55  ARG   A O   1 
ATOM   50   C CB  . ARG   A 1 12  ? -29.357 8.869   -21.622 1.00 48.27  ? 55  ARG   A CB  1 
ATOM   51   C CG  . ARG   A 1 12  ? -29.621 7.503   -22.222 1.00 53.87  ? 55  ARG   A CG  1 
ATOM   52   C CD  . ARG   A 1 12  ? -31.062 7.078   -21.987 1.00 52.41  ? 55  ARG   A CD  1 
ATOM   53   N NE  . ARG   A 1 12  ? -31.280 5.679   -22.292 1.00 55.52  ? 55  ARG   A NE  1 
ATOM   54   C CZ  . ARG   A 1 12  ? -31.200 5.164   -23.510 1.00 56.99  ? 55  ARG   A CZ  1 
ATOM   55   N NH1 . ARG   A 1 12  ? -30.929 5.939   -24.543 1.00 68.45  ? 55  ARG   A NH1 1 
ATOM   56   N NH2 . ARG   A 1 12  ? -31.390 3.871   -23.706 1.00 61.72  ? 55  ARG   A NH2 1 
ATOM   57   N N   . ALA   A 1 13  ? -26.296 8.196   -22.855 1.00 61.35  ? 56  ALA   A N   1 
ATOM   58   C CA  . ALA   A 1 13  ? -25.309 8.198   -23.970 1.00 49.12  ? 56  ALA   A CA  1 
ATOM   59   C C   . ALA   A 1 13  ? -25.621 7.118   -25.001 1.00 45.46  ? 56  ALA   A C   1 
ATOM   60   O O   . ALA   A 1 13  ? -25.036 7.202   -26.084 1.00 47.97  ? 56  ALA   A O   1 
ATOM   61   C CB  . ALA   A 1 13  ? -23.895 8.081   -23.458 1.00 54.96  ? 56  ALA   A CB  1 
ATOM   62   N N   . GLY   A 1 14  ? -26.538 6.186   -24.738 1.00 41.92  ? 57  GLY   A N   1 
ATOM   63   C CA  . GLY   A 1 14  ? -27.019 5.266   -25.781 1.00 39.40  ? 57  GLY   A CA  1 
ATOM   64   C C   . GLY   A 1 14  ? -27.693 4.044   -25.192 1.00 41.60  ? 57  GLY   A C   1 
ATOM   65   O O   . GLY   A 1 14  ? -27.766 3.939   -23.952 1.00 46.39  ? 57  GLY   A O   1 
ATOM   66   N N   . ASP   A 1 15  ? -28.201 3.159   -26.055 1.00 49.45  ? 58  ASP   A N   1 
ATOM   67   C CA  . ASP   A 1 15  ? -28.757 1.831   -25.679 1.00 54.87  ? 58  ASP   A CA  1 
ATOM   68   C C   . ASP   A 1 15  ? -27.592 0.878   -25.426 1.00 69.58  ? 58  ASP   A C   1 
ATOM   69   O O   . ASP   A 1 15  ? -26.452 1.196   -25.888 1.00 63.94  ? 58  ASP   A O   1 
ATOM   70   C CB  . ASP   A 1 15  ? -29.581 1.202   -26.796 1.00 55.13  ? 58  ASP   A CB  1 
ATOM   71   C CG  . ASP   A 1 15  ? -30.878 1.931   -27.037 1.00 63.67  ? 58  ASP   A CG  1 
ATOM   72   O OD1 . ASP   A 1 15  ? -31.038 2.989   -26.406 1.00 64.41  ? 58  ASP   A OD1 1 
ATOM   73   O OD2 . ASP   A 1 15  ? -31.707 1.432   -27.850 1.00 57.90  ? 58  ASP   A OD2 1 
ATOM   74   N N   . ILE   A 1 16  ? -27.864 -0.248  -24.757 1.00 67.40  ? 59  ILE   A N   1 
ATOM   75   C CA  . ILE   A 1 16  ? -26.860 -1.338  -24.573 1.00 66.70  ? 59  ILE   A CA  1 
ATOM   76   C C   . ILE   A 1 16  ? -27.263 -2.489  -25.500 1.00 59.74  ? 59  ILE   A C   1 
ATOM   77   O O   . ILE   A 1 16  ? -28.222 -3.237  -25.182 1.00 54.06  ? 59  ILE   A O   1 
ATOM   78   C CB  . ILE   A 1 16  ? -26.722 -1.719  -23.092 1.00 65.53  ? 59  ILE   A CB  1 
ATOM   79   C CG1 . ILE   A 1 16  ? -26.258 -0.507  -22.281 1.00 62.31  ? 59  ILE   A CG1 1 
ATOM   80   C CG2 . ILE   A 1 16  ? -25.772 -2.894  -22.946 1.00 68.88  ? 59  ILE   A CG2 1 
ATOM   81   C CD1 . ILE   A 1 16  ? -26.386 -0.666  -20.791 1.00 63.62  ? 59  ILE   A CD1 1 
ATOM   82   N N   A THR   A 1 17  ? -26.538 -2.606  -26.618 0.25 61.54  ? 60  THR   A N   1 
ATOM   83   N N   B THR   A 1 17  ? -26.555 -2.619  -26.626 0.25 60.90  ? 60  THR   A N   1 
ATOM   84   N N   C THR   A 1 17  ? -26.538 -2.606  -26.618 0.25 61.54  ? 60  THR   A N   1 
ATOM   85   N N   D THR   A 1 17  ? -26.555 -2.619  -26.626 0.25 60.90  ? 60  THR   A N   1 
ATOM   86   C CA  A THR   A 1 17  ? -26.802 -3.535  -27.752 0.25 62.12  ? 60  THR   A CA  1 
ATOM   87   C CA  B THR   A 1 17  ? -26.845 -3.590  -27.718 0.25 61.10  ? 60  THR   A CA  1 
ATOM   88   C CA  C THR   A 1 17  ? -26.802 -3.535  -27.752 0.25 62.12  ? 60  THR   A CA  1 
ATOM   89   C CA  D THR   A 1 17  ? -26.845 -3.590  -27.718 0.25 61.10  ? 60  THR   A CA  1 
ATOM   90   C C   A THR   A 1 17  ? -25.480 -4.043  -28.344 0.25 61.89  ? 60  THR   A C   1 
ATOM   91   C C   B THR   A 1 17  ? -25.531 -4.024  -28.390 0.25 61.72  ? 60  THR   A C   1 
ATOM   92   C C   C THR   A 1 17  ? -25.480 -4.043  -28.344 0.25 61.89  ? 60  THR   A C   1 
ATOM   93   C C   D THR   A 1 17  ? -25.531 -4.024  -28.390 0.25 61.72  ? 60  THR   A C   1 
ATOM   94   O O   A THR   A 1 17  ? -24.479 -3.284  -28.324 0.25 58.60  ? 60  THR   A O   1 
ATOM   95   O O   B THR   A 1 17  ? -24.580 -3.206  -28.449 0.25 59.96  ? 60  THR   A O   1 
ATOM   96   O O   C THR   A 1 17  ? -24.479 -3.284  -28.324 0.25 58.60  ? 60  THR   A O   1 
ATOM   97   O O   D THR   A 1 17  ? -24.580 -3.206  -28.449 0.25 59.96  ? 60  THR   A O   1 
ATOM   98   C CB  A THR   A 1 17  ? -27.621 -2.838  -28.845 0.25 60.33  ? 60  THR   A CB  1 
ATOM   99   C CB  B THR   A 1 17  ? -27.864 -2.988  -28.698 0.25 58.46  ? 60  THR   A CB  1 
ATOM   100  C CB  C THR   A 1 17  ? -27.621 -2.838  -28.845 0.25 60.33  ? 60  THR   A CB  1 
ATOM   101  C CB  D THR   A 1 17  ? -27.864 -2.988  -28.698 0.25 58.46  ? 60  THR   A CB  1 
ATOM   102  O OG1 A THR   A 1 17  ? -26.879 -1.708  -29.307 0.25 60.04  ? 60  THR   A OG1 1 
ATOM   103  O OG1 B THR   A 1 17  ? -29.150 -3.076  -28.083 0.25 57.95  ? 60  THR   A OG1 1 
ATOM   104  O OG1 C THR   A 1 17  ? -26.879 -1.708  -29.307 0.25 60.04  ? 60  THR   A OG1 1 
ATOM   105  O OG1 D THR   A 1 17  ? -29.150 -3.076  -28.083 0.25 57.95  ? 60  THR   A OG1 1 
ATOM   106  C CG2 A THR   A 1 17  ? -28.979 -2.389  -28.357 0.25 60.76  ? 60  THR   A CG2 1 
ATOM   107  C CG2 B THR   A 1 17  ? -27.909 -3.678  -30.042 0.25 57.58  ? 60  THR   A CG2 1 
ATOM   108  C CG2 C THR   A 1 17  ? -28.979 -2.389  -28.357 0.25 60.76  ? 60  THR   A CG2 1 
ATOM   109  C CG2 D THR   A 1 17  ? -27.909 -3.678  -30.042 0.25 57.58  ? 60  THR   A CG2 1 
ATOM   110  N N   . TRP   A 1 18  ? -25.483 -5.277  -28.856 1.00 63.90  ? 61  TRP   A N   1 
ATOM   111  C CA  . TRP   A 1 18  ? -24.362 -5.814  -29.671 1.00 74.85  ? 61  TRP   A CA  1 
ATOM   112  C C   . TRP   A 1 18  ? -24.495 -5.230  -31.087 1.00 72.65  ? 61  TRP   A C   1 
ATOM   113  O O   . TRP   A 1 18  ? -25.555 -5.412  -31.679 1.00 73.42  ? 61  TRP   A O   1 
ATOM   114  C CB  . TRP   A 1 18  ? -24.396 -7.350  -29.696 1.00 82.60  ? 61  TRP   A CB  1 
ATOM   115  C CG  . TRP   A 1 18  ? -23.225 -7.947  -30.419 1.00 94.20  ? 61  TRP   A CG  1 
ATOM   116  C CD1 . TRP   A 1 18  ? -23.115 -8.154  -31.763 1.00 89.18  ? 61  TRP   A CD1 1 
ATOM   117  C CD2 . TRP   A 1 18  ? -21.968 -8.359  -29.846 1.00 96.29  ? 61  TRP   A CD2 1 
ATOM   118  N NE1 . TRP   A 1 18  ? -21.887 -8.672  -32.062 1.00 88.37  ? 61  TRP   A NE1 1 
ATOM   119  C CE2 . TRP   A 1 18  ? -21.165 -8.818  -30.908 1.00 92.30  ? 61  TRP   A CE2 1 
ATOM   120  C CE3 . TRP   A 1 18  ? -21.446 -8.400  -28.548 1.00 89.71  ? 61  TRP   A CE3 1 
ATOM   121  C CZ2 . TRP   A 1 18  ? -19.880 -9.318  -30.704 1.00 93.23  ? 61  TRP   A CZ2 1 
ATOM   122  C CZ3 . TRP   A 1 18  ? -20.171 -8.877  -28.351 1.00 85.52  ? 61  TRP   A CZ3 1 
ATOM   123  C CH2 . TRP   A 1 18  ? -19.402 -9.337  -29.414 1.00 86.75  ? 61  TRP   A CH2 1 
ATOM   124  N N   . GLU   A 1 19  ? -23.468 -4.554  -31.603 1.00 77.22  ? 62  GLU   A N   1 
ATOM   125  C CA  . GLU   A 1 19  ? -23.469 -3.949  -32.965 1.00 91.89  ? 62  GLU   A CA  1 
ATOM   126  C C   . GLU   A 1 19  ? -22.657 -4.828  -33.922 1.00 87.43  ? 62  GLU   A C   1 
ATOM   127  O O   . GLU   A 1 19  ? -21.409 -4.726  -33.877 1.00 85.66  ? 62  GLU   A O   1 
ATOM   128  C CB  . GLU   A 1 19  ? -22.891 -2.526  -32.937 1.00 104.56 ? 62  GLU   A CB  1 
ATOM   129  C CG  . GLU   A 1 19  ? -23.687 -1.542  -32.078 1.00 120.84 ? 62  GLU   A CG  1 
ATOM   130  C CD  . GLU   A 1 19  ? -25.091 -1.188  -32.557 1.00 126.59 ? 62  GLU   A CD  1 
ATOM   131  O OE1 . GLU   A 1 19  ? -25.217 -0.312  -33.456 1.00 123.00 ? 62  GLU   A OE1 1 
ATOM   132  O OE2 . GLU   A 1 19  ? -26.063 -1.787  -32.027 1.00 121.39 ? 62  GLU   A OE2 1 
ATOM   133  N N   . LYS   A 1 20  ? -23.334 -5.632  -34.760 1.00 89.44  ? 63  LYS   A N   1 
ATOM   134  C CA  . LYS   A 1 20  ? -22.714 -6.416  -35.876 1.00 90.70  ? 63  LYS   A CA  1 
ATOM   135  C C   . LYS   A 1 20  ? -21.842 -5.492  -36.730 1.00 81.41  ? 63  LYS   A C   1 
ATOM   136  O O   . LYS   A 1 20  ? -22.249 -4.345  -36.982 1.00 94.35  ? 63  LYS   A O   1 
ATOM   137  C CB  . LYS   A 1 20  ? -23.764 -7.093  -36.760 1.00 85.61  ? 63  LYS   A CB  1 
ATOM   138  C CG  . LYS   A 1 20  ? -23.989 -8.562  -36.445 1.00 93.99  ? 63  LYS   A CG  1 
ATOM   139  C CD  . LYS   A 1 20  ? -25.233 -9.160  -37.072 1.00 100.38 ? 63  LYS   A CD  1 
ATOM   140  C CE  . LYS   A 1 20  ? -25.348 -10.652 -36.825 1.00 102.72 ? 63  LYS   A CE  1 
ATOM   141  N NZ  . LYS   A 1 20  ? -26.734 -11.040 -36.475 1.00 103.06 ? 63  LYS   A NZ  1 
ATOM   142  N N   . ASP   A 1 21  ? -20.668 -5.966  -37.133 1.00 82.75  ? 64  ASP   A N   1 
ATOM   143  C CA  . ASP   A 1 21  ? -19.655 -5.144  -37.846 1.00 91.07  ? 64  ASP   A CA  1 
ATOM   144  C C   . ASP   A 1 21  ? -19.374 -3.884  -37.011 1.00 83.50  ? 64  ASP   A C   1 
ATOM   145  O O   . ASP   A 1 21  ? -19.476 -2.772  -37.553 1.00 84.41  ? 64  ASP   A O   1 
ATOM   146  C CB  . ASP   A 1 21  ? -20.084 -4.824  -39.289 1.00 101.95 ? 64  ASP   A CB  1 
ATOM   147  C CG  . ASP   A 1 21  ? -19.973 -5.986  -40.273 1.00 103.56 ? 64  ASP   A CG  1 
ATOM   148  O OD1 . ASP   A 1 21  ? -18.849 -6.512  -40.458 1.00 108.63 ? 64  ASP   A OD1 1 
ATOM   149  O OD2 . ASP   A 1 21  ? -21.014 -6.364  -40.852 1.00 111.18 ? 64  ASP   A OD2 1 
ATOM   150  N N   . ALA   A 1 22  ? -19.040 -4.065  -35.731 1.00 80.29  ? 65  ALA   A N   1 
ATOM   151  C CA  . ALA   A 1 22  ? -18.252 -3.100  -34.929 1.00 75.92  ? 65  ALA   A CA  1 
ATOM   152  C C   . ALA   A 1 22  ? -16.778 -3.253  -35.312 1.00 65.07  ? 65  ALA   A C   1 
ATOM   153  O O   . ALA   A 1 22  ? -16.406 -4.351  -35.752 1.00 65.38  ? 65  ALA   A O   1 
ATOM   154  C CB  . ALA   A 1 22  ? -18.449 -3.347  -33.453 1.00 79.82  ? 65  ALA   A CB  1 
ATOM   155  N N   . GLU   A 1 23  ? -15.995 -2.188  -35.137 1.00 61.77  ? 66  GLU   A N   1 
ATOM   156  C CA  . GLU   A 1 23  ? -14.511 -2.161  -35.226 1.00 69.48  ? 66  GLU   A CA  1 
ATOM   157  C C   . GLU   A 1 23  ? -13.909 -3.209  -34.279 1.00 78.06  ? 66  GLU   A C   1 
ATOM   158  O O   . GLU   A 1 23  ? -14.061 -3.025  -33.046 1.00 66.61  ? 66  GLU   A O   1 
ATOM   159  C CB  . GLU   A 1 23  ? -14.016 -0.764  -34.844 1.00 80.17  ? 66  GLU   A CB  1 
ATOM   160  C CG  . GLU   A 1 23  ? -12.523 -0.661  -34.603 1.00 81.11  ? 66  GLU   A CG  1 
ATOM   161  C CD  . GLU   A 1 23  ? -12.110 0.711   -34.099 1.00 99.22  ? 66  GLU   A CD  1 
ATOM   162  O OE1 . GLU   A 1 23  ? -13.013 1.543   -33.834 1.00 111.23 ? 66  GLU   A OE1 1 
ATOM   163  O OE2 . GLU   A 1 23  ? -10.890 0.955   -33.974 1.00 109.95 ? 66  GLU   A OE2 1 
ATOM   164  N N   . VAL   A 1 24  ? -13.244 -4.237  -34.836 1.00 77.67  ? 67  VAL   A N   1 
ATOM   165  C CA  . VAL   A 1 24  ? -12.604 -5.377  -34.106 1.00 72.91  ? 67  VAL   A CA  1 
ATOM   166  C C   . VAL   A 1 24  ? -11.109 -5.089  -33.933 1.00 70.29  ? 67  VAL   A C   1 
ATOM   167  O O   . VAL   A 1 24  ? -10.386 -5.234  -34.921 1.00 77.81  ? 67  VAL   A O   1 
ATOM   168  C CB  . VAL   A 1 24  ? -12.823 -6.707  -34.850 1.00 73.71  ? 67  VAL   A CB  1 
ATOM   169  C CG1 . VAL   A 1 24  ? -12.269 -7.872  -34.055 1.00 76.19  ? 67  VAL   A CG1 1 
ATOM   170  C CG2 . VAL   A 1 24  ? -14.293 -6.941  -35.183 1.00 78.55  ? 67  VAL   A CG2 1 
ATOM   171  N N   . THR   A 1 25  ? -10.663 -4.685  -32.738 1.00 64.80  ? 68  THR   A N   1 
ATOM   172  C CA  . THR   A 1 25  ? -9.223  -4.484  -32.407 1.00 64.91  ? 68  THR   A CA  1 
ATOM   173  C C   . THR   A 1 25  ? -8.919  -5.019  -30.998 1.00 70.61  ? 68  THR   A C   1 
ATOM   174  O O   . THR   A 1 25  ? -9.817  -5.665  -30.395 1.00 64.93  ? 68  THR   A O   1 
ATOM   175  C CB  . THR   A 1 25  ? -8.815  -3.008  -32.528 1.00 74.15  ? 68  THR   A CB  1 
ATOM   176  O OG1 . THR   A 1 25  ? -7.394  -2.914  -32.412 1.00 67.16  ? 68  THR   A OG1 1 
ATOM   177  C CG2 . THR   A 1 25  ? -9.438  -2.110  -31.480 1.00 74.72  ? 68  THR   A CG2 1 
ATOM   178  N N   . GLY   A 1 26  ? -7.694  -4.752  -30.515 1.00 62.62  ? 69  GLY   A N   1 
ATOM   179  C CA  . GLY   A 1 26  ? -7.153  -5.193  -29.219 1.00 65.56  ? 69  GLY   A CA  1 
ATOM   180  C C   . GLY   A 1 26  ? -6.614  -6.619  -29.231 1.00 61.80  ? 69  GLY   A C   1 
ATOM   181  O O   . GLY   A 1 26  ? -7.269  -7.512  -29.801 1.00 67.19  ? 69  GLY   A O   1 
ATOM   182  N N   . ASN   A 1 27  ? -5.499  -6.832  -28.535 1.00 67.53  ? 70  ASN   A N   1 
ATOM   183  C CA  . ASN   A 1 27  ? -4.893  -8.165  -28.263 1.00 72.79  ? 70  ASN   A CA  1 
ATOM   184  C C   . ASN   A 1 27  ? -5.518  -8.766  -26.989 1.00 71.07  ? 70  ASN   A C   1 
ATOM   185  O O   . ASN   A 1 27  ? -6.503  -8.176  -26.482 1.00 69.63  ? 70  ASN   A O   1 
ATOM   186  C CB  . ASN   A 1 27  ? -3.375  -8.041  -28.181 1.00 72.56  ? 70  ASN   A CB  1 
ATOM   187  C CG  . ASN   A 1 27  ? -2.947  -7.269  -26.958 1.00 73.13  ? 70  ASN   A CG  1 
ATOM   188  O OD1 . ASN   A 1 27  ? -3.380  -6.139  -26.759 1.00 78.33  ? 70  ASN   A OD1 1 
ATOM   189  N ND2 . ASN   A 1 27  ? -2.111  -7.871  -26.131 1.00 84.44  ? 70  ASN   A ND2 1 
ATOM   190  N N   . SER   A 1 28  ? -4.982  -9.895  -26.499 1.00 65.47  ? 71  SER   A N   1 
ATOM   191  C CA  . SER   A 1 28  ? -5.651  -10.829 -25.552 1.00 62.83  ? 71  SER   A CA  1 
ATOM   192  C C   . SER   A 1 28  ? -4.675  -11.368 -24.522 1.00 65.01  ? 71  SER   A C   1 
ATOM   193  O O   . SER   A 1 28  ? -4.629  -12.582 -24.349 1.00 61.45  ? 71  SER   A O   1 
ATOM   194  C CB  . SER   A 1 28  ? -6.271  -11.986 -26.268 1.00 68.58  ? 71  SER   A CB  1 
ATOM   195  O OG  . SER   A 1 28  ? -7.216  -11.546 -27.225 1.00 83.90  ? 71  SER   A OG  1 
ATOM   196  N N   . PRO   A 1 29  ? -3.930  -10.502 -23.787 1.00 66.86  ? 72  PRO   A N   1 
ATOM   197  C CA  . PRO   A 1 29  ? -2.771  -10.930 -22.997 1.00 67.36  ? 72  PRO   A CA  1 
ATOM   198  C C   . PRO   A 1 29  ? -3.119  -11.572 -21.649 1.00 65.49  ? 72  PRO   A C   1 
ATOM   199  O O   . PRO   A 1 29  ? -4.027  -11.088 -21.014 1.00 68.52  ? 72  PRO   A O   1 
ATOM   200  C CB  . PRO   A 1 29  ? -2.014  -9.618  -22.727 1.00 68.61  ? 72  PRO   A CB  1 
ATOM   201  C CG  . PRO   A 1 29  ? -3.107  -8.552  -22.707 1.00 73.49  ? 72  PRO   A CG  1 
ATOM   202  C CD  . PRO   A 1 29  ? -4.189  -9.057  -23.647 1.00 74.60  ? 72  PRO   A CD  1 
ATOM   203  N N   . ARG   A 1 30  ? -2.381  -12.618 -21.260 1.00 68.46  ? 73  ARG   A N   1 
ATOM   204  C CA  . ARG   A 1 30  ? -2.473  -13.294 -19.929 1.00 74.85  ? 73  ARG   A CA  1 
ATOM   205  C C   . ARG   A 1 30  ? -1.470  -12.617 -18.991 1.00 66.90  ? 73  ARG   A C   1 
ATOM   206  O O   . ARG   A 1 30  ? -0.306  -12.617 -19.321 1.00 67.47  ? 73  ARG   A O   1 
ATOM   207  C CB  . ARG   A 1 30  ? -2.215  -14.797 -20.076 1.00 72.08  ? 73  ARG   A CB  1 
ATOM   208  C CG  . ARG   A 1 30  ? -3.188  -15.477 -21.030 1.00 84.53  ? 73  ARG   A CG  1 
ATOM   209  C CD  . ARG   A 1 30  ? -2.678  -16.793 -21.602 1.00 99.00  ? 73  ARG   A CD  1 
ATOM   210  N NE  . ARG   A 1 30  ? -3.618  -17.426 -22.533 1.00 110.95 ? 73  ARG   A NE  1 
ATOM   211  C CZ  . ARG   A 1 30  ? -4.625  -18.244 -22.193 1.00 109.21 ? 73  ARG   A CZ  1 
ATOM   212  N NH1 . ARG   A 1 30  ? -4.851  -18.550 -20.925 1.00 111.13 ? 73  ARG   A NH1 1 
ATOM   213  N NH2 . ARG   A 1 30  ? -5.411  -18.752 -23.131 1.00 95.99  ? 73  ARG   A NH2 1 
ATOM   214  N N   . LEU   A 1 31  ? -1.924  -11.991 -17.905 1.00 67.39  ? 74  LEU   A N   1 
ATOM   215  C CA  . LEU   A 1 31  ? -1.059  -11.211 -16.981 1.00 67.46  ? 74  LEU   A CA  1 
ATOM   216  C C   . LEU   A 1 31  ? -1.242  -11.725 -15.552 1.00 65.64  ? 74  LEU   A C   1 
ATOM   217  O O   . LEU   A 1 31  ? -2.398  -12.001 -15.183 1.00 68.50  ? 74  LEU   A O   1 
ATOM   218  C CB  . LEU   A 1 31  ? -1.462  -9.739  -17.071 1.00 73.29  ? 74  LEU   A CB  1 
ATOM   219  C CG  . LEU   A 1 31  ? -1.363  -9.114  -18.457 1.00 72.49  ? 74  LEU   A CG  1 
ATOM   220  C CD1 . LEU   A 1 31  ? -2.039  -7.753  -18.480 1.00 74.39  ? 74  LEU   A CD1 1 
ATOM   221  C CD2 . LEU   A 1 31  ? 0.093   -8.995  -18.878 1.00 76.63  ? 74  LEU   A CD2 1 
ATOM   222  N N   . ASP   A 1 32  ? -0.153  -11.824 -14.782 1.00 65.68  ? 75  ASP   A N   1 
ATOM   223  C CA  . ASP   A 1 32  ? -0.178  -12.170 -13.337 1.00 63.96  ? 75  ASP   A CA  1 
ATOM   224  C C   . ASP   A 1 32  ? -0.333  -10.891 -12.526 1.00 60.78  ? 75  ASP   A C   1 
ATOM   225  O O   . ASP   A 1 32  ? 0.577   -10.014 -12.618 1.00 64.87  ? 75  ASP   A O   1 
ATOM   226  C CB  . ASP   A 1 32  ? 1.074   -12.940 -12.922 1.00 72.47  ? 75  ASP   A CB  1 
ATOM   227  C CG  . ASP   A 1 32  ? 1.068   -14.382 -13.398 1.00 82.65  ? 75  ASP   A CG  1 
ATOM   228  O OD1 . ASP   A 1 32  ? -0.019  -14.859 -13.804 1.00 93.63  ? 75  ASP   A OD1 1 
ATOM   229  O OD2 . ASP   A 1 32  ? 2.150   -15.015 -13.371 1.00 92.56  ? 75  ASP   A OD2 1 
ATOM   230  N N   . VAL   A 1 33  ? -1.429  -10.773 -11.763 1.00 60.00  ? 76  VAL   A N   1 
ATOM   231  C CA  . VAL   A 1 33  ? -1.775  -9.499  -11.045 1.00 66.79  ? 76  VAL   A CA  1 
ATOM   232  C C   . VAL   A 1 33  ? -2.145  -9.772  -9.580  1.00 60.24  ? 76  VAL   A C   1 
ATOM   233  O O   . VAL   A 1 33  ? -2.764  -10.820 -9.269  1.00 61.73  ? 76  VAL   A O   1 
ATOM   234  C CB  . VAL   A 1 33  ? -2.905  -8.713  -11.752 1.00 60.57  ? 76  VAL   A CB  1 
ATOM   235  C CG1 . VAL   A 1 33  ? -2.503  -8.231  -13.140 1.00 62.78  ? 76  VAL   A CG1 1 
ATOM   236  C CG2 . VAL   A 1 33  ? -4.185  -9.518  -11.820 1.00 54.98  ? 76  VAL   A CG2 1 
ATOM   237  N N   . ALA   A 1 34  ? -1.831  -8.808  -8.726  1.00 60.93  ? 77  ALA   A N   1 
ATOM   238  C CA  . ALA   A 1 34  ? -2.286  -8.732  -7.321  1.00 62.72  ? 77  ALA   A CA  1 
ATOM   239  C C   . ALA   A 1 34  ? -3.313  -7.600  -7.201  1.00 59.60  ? 77  ALA   A C   1 
ATOM   240  O O   . ALA   A 1 34  ? -3.194  -6.619  -7.946  1.00 57.77  ? 77  ALA   A O   1 
ATOM   241  C CB  . ALA   A 1 34  ? -1.101  -8.501  -6.415  1.00 66.50  ? 77  ALA   A CB  1 
ATOM   242  N N   . LEU   A 1 35  ? -4.254  -7.740  -6.272  1.00 55.57  ? 78  LEU   A N   1 
ATOM   243  C CA  . LEU   A 1 35  ? -5.325  -6.761  -5.961  1.00 54.14  ? 78  LEU   A CA  1 
ATOM   244  C C   . LEU   A 1 35  ? -5.210  -6.367  -4.483  1.00 55.51  ? 78  LEU   A C   1 
ATOM   245  O O   . LEU   A 1 35  ? -5.457  -7.221  -3.626  1.00 63.88  ? 78  LEU   A O   1 
ATOM   246  C CB  . LEU   A 1 35  ? -6.674  -7.423  -6.270  1.00 57.78  ? 78  LEU   A CB  1 
ATOM   247  C CG  . LEU   A 1 35  ? -7.906  -6.543  -6.044  1.00 62.45  ? 78  LEU   A CG  1 
ATOM   248  C CD1 . LEU   A 1 35  ? -7.779  -5.223  -6.807  1.00 66.89  ? 78  LEU   A CD1 1 
ATOM   249  C CD2 . LEU   A 1 35  ? -9.184  -7.281  -6.417  1.00 56.02  ? 78  LEU   A CD2 1 
ATOM   250  N N   . ASP   A 1 36  ? -4.827  -5.125  -4.189  1.00 56.79  ? 79  ASP   A N   1 
ATOM   251  C CA  . ASP   A 1 36  ? -4.639  -4.631  -2.803  1.00 56.77  ? 79  ASP   A CA  1 
ATOM   252  C C   . ASP   A 1 36  ? -6.020  -4.296  -2.214  1.00 55.24  ? 79  ASP   A C   1 
ATOM   253  O O   . ASP   A 1 36  ? -7.040  -4.357  -2.964  1.00 51.91  ? 79  ASP   A O   1 
ATOM   254  C CB  . ASP   A 1 36  ? -3.611  -3.485  -2.774  1.00 60.97  ? 79  ASP   A CB  1 
ATOM   255  C CG  . ASP   A 1 36  ? -4.054  -2.125  -3.306  1.00 66.88  ? 79  ASP   A CG  1 
ATOM   256  O OD1 . ASP   A 1 36  ? -5.258  -1.968  -3.635  1.00 61.79  ? 79  ASP   A OD1 1 
ATOM   257  O OD2 . ASP   A 1 36  ? -3.183  -1.202  -3.362  1.00 66.88  ? 79  ASP   A OD2 1 
ATOM   258  N N   . GLU   A 1 37  ? -6.034  -3.956  -0.924  1.00 51.27  ? 80  GLU   A N   1 
ATOM   259  C CA  . GLU   A 1 37  ? -7.231  -3.603  -0.127  1.00 58.79  ? 80  GLU   A CA  1 
ATOM   260  C C   . GLU   A 1 37  ? -7.901  -2.353  -0.721  1.00 59.76  ? 80  GLU   A C   1 
ATOM   261  O O   . GLU   A 1 37  ? -9.129  -2.231  -0.554  1.00 60.22  ? 80  GLU   A O   1 
ATOM   262  C CB  . GLU   A 1 37  ? -6.833  -3.420  1.345   1.00 63.52  ? 80  GLU   A CB  1 
ATOM   263  C CG  . GLU   A 1 37  ? -8.019  -3.148  2.267   1.00 73.69  ? 80  GLU   A CG  1 
ATOM   264  C CD  . GLU   A 1 37  ? -7.783  -3.343  3.758   1.00 76.97  ? 80  GLU   A CD  1 
ATOM   265  O OE1 . GLU   A 1 37  ? -7.345  -2.365  4.413   1.00 74.45  ? 80  GLU   A OE1 1 
ATOM   266  O OE2 . GLU   A 1 37  ? -8.051  -4.463  4.269   1.00 81.31  ? 80  GLU   A OE2 1 
ATOM   267  N N   . SER   A 1 38  ? -7.140  -1.477  -1.396  1.00 56.58  ? 81  SER   A N   1 
ATOM   268  C CA  . SER   A 1 38  ? -7.621  -0.200  -1.979  1.00 58.73  ? 81  SER   A CA  1 
ATOM   269  C C   . SER   A 1 38  ? -8.270  -0.423  -3.350  1.00 54.99  ? 81  SER   A C   1 
ATOM   270  O O   . SER   A 1 38  ? -8.674  0.580   -3.957  1.00 65.30  ? 81  SER   A O   1 
ATOM   271  C CB  . SER   A 1 38  ? -6.499  0.794   -2.099  1.00 70.37  ? 81  SER   A CB  1 
ATOM   272  O OG  . SER   A 1 38  ? -5.848  0.984   -0.851  1.00 79.80  ? 81  SER   A OG  1 
ATOM   273  N N   . GLY   A 1 39  ? -8.360  -1.667  -3.837  1.00 57.80  ? 82  GLY   A N   1 
ATOM   274  C CA  . GLY   A 1 39  ? -8.949  -1.999  -5.158  1.00 56.73  ? 82  GLY   A CA  1 
ATOM   275  C C   . GLY   A 1 39  ? -8.035  -1.667  -6.338  1.00 54.19  ? 82  GLY   A C   1 
ATOM   276  O O   . GLY   A 1 39  ? -8.527  -1.635  -7.489  1.00 50.18  ? 82  GLY   A O   1 
ATOM   277  N N   . ASP   A 1 40  ? -6.751  -1.412  -6.086  1.00 55.49  ? 83  ASP   A N   1 
ATOM   278  C CA  . ASP   A 1 40  ? -5.730  -1.111  -7.127  1.00 59.08  ? 83  ASP   A CA  1 
ATOM   279  C C   . ASP   A 1 40  ? -5.051  -2.421  -7.572  1.00 55.68  ? 83  ASP   A C   1 
ATOM   280  O O   . ASP   A 1 40  ? -4.434  -3.099  -6.725  1.00 55.61  ? 83  ASP   A O   1 
ATOM   281  C CB  . ASP   A 1 40  ? -4.731  -0.084  -6.588  1.00 58.13  ? 83  ASP   A CB  1 
ATOM   282  C CG  . ASP   A 1 40  ? -5.331  1.269   -6.245  1.00 60.96  ? 83  ASP   A CG  1 
ATOM   283  O OD1 . ASP   A 1 40  ? -6.241  1.715   -6.971  1.00 71.01  ? 83  ASP   A OD1 1 
ATOM   284  O OD2 . ASP   A 1 40  ? -4.884  1.868   -5.260  1.00 69.80  ? 83  ASP   A OD2 1 
ATOM   285  N N   . PHE   A 1 41  ? -5.174  -2.797  -8.845  1.00 54.77  ? 84  PHE   A N   1 
ATOM   286  C CA  . PHE   A 1 41  ? -4.430  -3.940  -9.430  1.00 53.46  ? 84  PHE   A CA  1 
ATOM   287  C C   . PHE   A 1 41  ? -2.981  -3.534  -9.714  1.00 64.45  ? 84  PHE   A C   1 
ATOM   288  O O   . PHE   A 1 41  ? -2.720  -2.350  -10.022 1.00 54.75  ? 84  PHE   A O   1 
ATOM   289  C CB  . PHE   A 1 41  ? -5.018  -4.392  -10.756 1.00 50.77  ? 84  PHE   A CB  1 
ATOM   290  C CG  . PHE   A 1 41  ? -6.334  -5.120  -10.669 1.00 58.76  ? 84  PHE   A CG  1 
ATOM   291  C CD1 . PHE   A 1 41  ? -6.379  -6.469  -10.334 1.00 51.44  ? 84  PHE   A CD1 1 
ATOM   292  C CD2 . PHE   A 1 41  ? -7.521  -4.471  -10.991 1.00 54.67  ? 84  PHE   A CD2 1 
ATOM   293  C CE1 . PHE   A 1 41  ? -7.584  -7.146  -10.309 1.00 52.53  ? 84  PHE   A CE1 1 
ATOM   294  C CE2 . PHE   A 1 41  ? -8.727  -5.151  -10.955 1.00 49.49  ? 84  PHE   A CE2 1 
ATOM   295  C CZ  . PHE   A 1 41  ? -8.752  -6.484  -10.620 1.00 53.70  ? 84  PHE   A CZ  1 
ATOM   296  N N   . SER   A 1 42  ? -2.068  -4.511  -9.671  1.00 65.86  ? 85  SER   A N   1 
ATOM   297  C CA  . SER   A 1 42  ? -0.617  -4.312  -9.899  1.00 66.08  ? 85  SER   A CA  1 
ATOM   298  C C   . SER   A 1 42  ? -0.026  -5.520  -10.642 1.00 76.40  ? 85  SER   A C   1 
ATOM   299  O O   . SER   A 1 42  ? -0.616  -6.646  -10.551 1.00 65.54  ? 85  SER   A O   1 
ATOM   300  C CB  . SER   A 1 42  ? 0.055   -4.083  -8.595  1.00 71.90  ? 85  SER   A CB  1 
ATOM   301  O OG  . SER   A 1 42  ? -0.265  -5.139  -7.704  1.00 76.13  ? 85  SER   A OG  1 
ATOM   302  N N   . LEU   A 1 43  ? 1.077   -5.288  -11.370 1.00 73.30  ? 86  LEU   A N   1 
ATOM   303  C CA  . LEU   A 1 43  ? 1.793   -6.348  -12.129 1.00 74.71  ? 86  LEU   A CA  1 
ATOM   304  C C   . LEU   A 1 43  ? 2.707   -7.123  -11.175 1.00 73.95  ? 86  LEU   A C   1 
ATOM   305  O O   . LEU   A 1 43  ? 3.572   -6.500  -10.530 1.00 64.67  ? 86  LEU   A O   1 
ATOM   306  C CB  . LEU   A 1 43  ? 2.584   -5.732  -13.283 1.00 70.61  ? 86  LEU   A CB  1 
ATOM   307  C CG  . LEU   A 1 43  ? 1.746   -5.296  -14.478 1.00 70.24  ? 86  LEU   A CG  1 
ATOM   308  C CD1 . LEU   A 1 43  ? 2.624   -4.646  -15.529 1.00 80.91  ? 86  LEU   A CD1 1 
ATOM   309  C CD2 . LEU   A 1 43  ? 0.977   -6.467  -15.079 1.00 74.94  ? 86  LEU   A CD2 1 
ATOM   310  N N   . VAL   A 1 44  ? 2.459   -8.430  -11.070 1.00 80.75  ? 87  VAL   A N   1 
ATOM   311  C CA  . VAL   A 1 44  ? 3.299   -9.430  -10.350 1.00 84.78  ? 87  VAL   A CA  1 
ATOM   312  C C   . VAL   A 1 44  ? 4.212   -10.079 -11.386 1.00 92.16  ? 87  VAL   A C   1 
ATOM   313  O O   . VAL   A 1 44  ? 3.711   -10.942 -12.134 1.00 99.53  ? 87  VAL   A O   1 
ATOM   314  C CB  . VAL   A 1 44  ? 2.409   -10.481 -9.666  1.00 75.64  ? 87  VAL   A CB  1 
ATOM   315  C CG1 . VAL   A 1 44  ? 3.214   -11.667 -9.164  1.00 76.64  ? 87  VAL   A CG1 1 
ATOM   316  C CG2 . VAL   A 1 44  ? 1.578   -9.856  -8.557  1.00 79.09  ? 87  VAL   A CG2 1 
ATOM   317  N N   . GLU   A 1 45  ? 5.480   -9.672  -11.453 1.00 101.62 ? 88  GLU   A N   1 
ATOM   318  C CA  . GLU   A 1 45  ? 6.427   -10.170 -12.489 1.00 117.70 ? 88  GLU   A CA  1 
ATOM   319  C C   . GLU   A 1 45  ? 7.465   -11.102 -11.840 1.00 121.77 ? 88  GLU   A C   1 
ATOM   320  O O   . GLU   A 1 45  ? 7.180   -12.046 -11.083 1.00 106.63 ? 88  GLU   A O   1 
ATOM   321  C CB  . GLU   A 1 45  ? 7.071   -8.982  -13.205 1.00 120.06 ? 88  GLU   A CB  1 
ATOM   322  C CG  . GLU   A 1 45  ? 6.080   -7.922  -13.661 1.00 119.80 ? 88  GLU   A CG  1 
ATOM   323  C CD  . GLU   A 1 45  ? 5.475   -8.164  -15.031 1.00 118.72 ? 88  GLU   A CD  1 
ATOM   324  O OE1 . GLU   A 1 45  ? 4.953   -9.274  -15.253 1.00 105.88 ? 88  GLU   A OE1 1 
ATOM   325  O OE2 . GLU   A 1 45  ? 5.531   -7.239  -15.870 1.00 123.57 ? 88  GLU   A OE2 1 
ATOM   326  N N   . GLY   B 2 7   ? -36.643 11.604  -12.317 1.00 100.54 ? 16  GLY   B N   1 
ATOM   327  C CA  . GLY   B 2 7   ? -35.536 11.756  -13.324 1.00 102.62 ? 16  GLY   B CA  1 
ATOM   328  C C   . GLY   B 2 7   ? -35.623 10.727  -14.445 1.00 99.26  ? 16  GLY   B C   1 
ATOM   329  O O   . GLY   B 2 7   ? -36.605 9.957   -14.458 1.00 102.34 ? 16  GLY   B O   1 
ATOM   330  N N   . GLU   B 2 8   ? -34.633 10.702  -15.350 1.00 91.72  ? 17  GLU   B N   1 
ATOM   331  C CA  . GLU   B 2 8   ? -34.500 9.652   -16.401 1.00 86.29  ? 17  GLU   B CA  1 
ATOM   332  C C   . GLU   B 2 8   ? -34.056 8.345   -15.738 1.00 77.56  ? 17  GLU   B C   1 
ATOM   333  O O   . GLU   B 2 8   ? -32.960 8.290   -15.163 1.00 77.75  ? 17  GLU   B O   1 
ATOM   334  C CB  . GLU   B 2 8   ? -33.494 10.010  -17.501 1.00 87.39  ? 17  GLU   B CB  1 
ATOM   335  C CG  . GLU   B 2 8   ? -33.564 9.058   -18.692 1.00 84.42  ? 17  GLU   B CG  1 
ATOM   336  C CD  . GLU   B 2 8   ? -32.900 9.541   -19.977 1.00 88.72  ? 17  GLU   B CD  1 
ATOM   337  O OE1 . GLU   B 2 8   ? -31.926 10.324  -19.873 1.00 78.44  ? 17  GLU   B OE1 1 
ATOM   338  O OE2 . GLU   B 2 8   ? -33.376 9.150   -21.090 1.00 89.18  ? 17  GLU   B OE2 1 
ATOM   339  N N   A THR   B 2 9   ? -34.889 7.308   -15.800 0.25 76.82  ? 18  THR   B N   1 
ATOM   340  N N   B THR   B 2 9   ? -34.913 7.326   -15.849 0.25 75.28  ? 18  THR   B N   1 
ATOM   341  N N   C THR   B 2 9   ? -34.889 7.308   -15.800 0.25 76.82  ? 18  THR   B N   1 
ATOM   342  N N   D THR   B 2 9   ? -34.913 7.326   -15.849 0.25 75.28  ? 18  THR   B N   1 
ATOM   343  C CA  A THR   B 2 9   ? -34.575 5.965   -15.246 0.25 77.40  ? 18  THR   B CA  1 
ATOM   344  C CA  B THR   B 2 9   ? -34.756 5.976   -15.250 0.25 74.95  ? 18  THR   B CA  1 
ATOM   345  C CA  C THR   B 2 9   ? -34.575 5.965   -15.246 0.25 77.40  ? 18  THR   B CA  1 
ATOM   346  C CA  D THR   B 2 9   ? -34.756 5.976   -15.250 0.25 74.95  ? 18  THR   B CA  1 
ATOM   347  C C   A THR   B 2 9   ? -34.627 4.924   -16.367 0.25 74.44  ? 18  THR   B C   1 
ATOM   348  C C   B THR   B 2 9   ? -34.580 4.926   -16.356 0.25 72.91  ? 18  THR   B C   1 
ATOM   349  C C   C THR   B 2 9   ? -34.627 4.924   -16.367 0.25 74.44  ? 18  THR   B C   1 
ATOM   350  C C   D THR   B 2 9   ? -34.580 4.926   -16.356 0.25 72.91  ? 18  THR   B C   1 
ATOM   351  O O   A THR   B 2 9   ? -34.851 3.739   -16.052 0.25 75.59  ? 18  THR   B O   1 
ATOM   352  O O   B THR   B 2 9   ? -34.580 3.728   -16.017 0.25 74.55  ? 18  THR   B O   1 
ATOM   353  O O   C THR   B 2 9   ? -34.851 3.739   -16.052 0.25 75.59  ? 18  THR   B O   1 
ATOM   354  O O   D THR   B 2 9   ? -34.580 3.728   -16.017 0.25 74.55  ? 18  THR   B O   1 
ATOM   355  C CB  A THR   B 2 9   ? -35.527 5.598   -14.102 0.25 77.96  ? 18  THR   B CB  1 
ATOM   356  C CB  B THR   B 2 9   ? -35.973 5.633   -14.380 0.25 73.16  ? 18  THR   B CB  1 
ATOM   357  C CB  C THR   B 2 9   ? -35.527 5.598   -14.102 0.25 77.96  ? 18  THR   B CB  1 
ATOM   358  C CB  D THR   B 2 9   ? -35.973 5.633   -14.380 0.25 73.16  ? 18  THR   B CB  1 
ATOM   359  O OG1 A THR   B 2 9   ? -35.310 6.524   -13.037 0.25 80.57  ? 18  THR   B OG1 1 
ATOM   360  O OG1 B THR   B 2 9   ? -37.145 5.702   -15.193 0.25 69.40  ? 18  THR   B OG1 1 
ATOM   361  O OG1 C THR   B 2 9   ? -35.310 6.524   -13.037 0.25 80.57  ? 18  THR   B OG1 1 
ATOM   362  O OG1 D THR   B 2 9   ? -37.145 5.702   -15.193 0.25 69.40  ? 18  THR   B OG1 1 
ATOM   363  C CG2 A THR   B 2 9   ? -35.317 4.183   -13.612 0.25 76.45  ? 18  THR   B CG2 1 
ATOM   364  C CG2 B THR   B 2 9   ? -36.137 6.561   -13.197 0.25 73.90  ? 18  THR   B CG2 1 
ATOM   365  C CG2 C THR   B 2 9   ? -35.317 4.183   -13.612 0.25 76.45  ? 18  THR   B CG2 1 
ATOM   366  C CG2 D THR   B 2 9   ? -36.137 6.561   -13.197 0.25 73.90  ? 18  THR   B CG2 1 
ATOM   367  N N   . THR   B 2 10  ? -34.435 5.357   -17.616 1.00 71.26  ? 19  THR   B N   1 
ATOM   368  C CA  . THR   B 2 10  ? -34.440 4.460   -18.801 1.00 71.56  ? 19  THR   B CA  1 
ATOM   369  C C   . THR   B 2 10  ? -33.179 3.591   -18.745 1.00 57.34  ? 19  THR   B C   1 
ATOM   370  O O   . THR   B 2 10  ? -32.097 4.147   -18.469 1.00 55.85  ? 19  THR   B O   1 
ATOM   371  C CB  . THR   B 2 10  ? -34.518 5.238   -20.126 1.00 73.20  ? 19  THR   B CB  1 
ATOM   372  O OG1 . THR   B 2 10  ? -35.361 6.385   -19.980 1.00 81.35  ? 19  THR   B OG1 1 
ATOM   373  C CG2 . THR   B 2 10  ? -35.037 4.375   -21.258 1.00 74.22  ? 19  THR   B CG2 1 
ATOM   374  N N   . ASP   B 2 11  ? -33.323 2.285   -18.952 1.00 52.55  ? 20  ASP   B N   1 
ATOM   375  C CA  . ASP   B 2 11  ? -32.173 1.368   -19.160 1.00 57.24  ? 20  ASP   B CA  1 
ATOM   376  C C   . ASP   B 2 11  ? -31.239 1.972   -20.216 1.00 61.83  ? 20  ASP   B C   1 
ATOM   377  O O   . ASP   B 2 11  ? -31.755 2.632   -21.137 1.00 65.29  ? 20  ASP   B O   1 
ATOM   378  C CB  . ASP   B 2 11  ? -32.609 -0.003  -19.671 1.00 60.23  ? 20  ASP   B CB  1 
ATOM   379  C CG  . ASP   B 2 11  ? -33.261 -0.898  -18.636 1.00 70.20  ? 20  ASP   B CG  1 
ATOM   380  O OD1 . ASP   B 2 11  ? -33.622 -0.381  -17.541 1.00 60.59  ? 20  ASP   B OD1 1 
ATOM   381  O OD2 . ASP   B 2 11  ? -33.426 -2.111  -18.950 1.00 73.82  ? 20  ASP   B OD2 1 
ATOM   382  N N   . GLY   B 2 12  ? -29.933 1.709   -20.114 1.00 55.19  ? 21  GLY   B N   1 
ATOM   383  C CA  . GLY   B 2 12  ? -28.920 2.141   -21.093 1.00 49.99  ? 21  GLY   B CA  1 
ATOM   384  C C   . GLY   B 2 12  ? -27.682 2.666   -20.405 1.00 46.81  ? 21  GLY   B C   1 
ATOM   385  O O   . GLY   B 2 12  ? -27.559 2.474   -19.181 1.00 40.37  ? 21  GLY   B O   1 
ATOM   386  N N   . VAL   B 2 13  ? -26.799 3.329   -21.147 1.00 44.61  ? 22  VAL   B N   1 
ATOM   387  C CA  . VAL   B 2 13  ? -25.455 3.741   -20.640 1.00 47.48  ? 22  VAL   B CA  1 
ATOM   388  C C   . VAL   B 2 13  ? -25.448 5.263   -20.523 1.00 46.58  ? 22  VAL   B C   1 
ATOM   389  O O   . VAL   B 2 13  ? -26.064 5.917   -21.358 1.00 53.26  ? 22  VAL   B O   1 
ATOM   390  C CB  . VAL   B 2 13  ? -24.304 3.227   -21.533 1.00 52.22  ? 22  VAL   B CB  1 
ATOM   391  C CG1 . VAL   B 2 13  ? -24.378 3.777   -22.959 1.00 57.43  ? 22  VAL   B CG1 1 
ATOM   392  C CG2 . VAL   B 2 13  ? -22.935 3.531   -20.948 1.00 52.02  ? 22  VAL   B CG2 1 
ATOM   393  N N   . TYR   B 2 14  ? -24.754 5.781   -19.516 1.00 47.63  ? 23  TYR   B N   1 
ATOM   394  C CA  . TYR   B 2 14  ? -24.834 7.187   -19.089 1.00 49.87  ? 23  TYR   B CA  1 
ATOM   395  C C   . TYR   B 2 14  ? -23.418 7.689   -18.876 1.00 52.74  ? 23  TYR   B C   1 
ATOM   396  O O   . TYR   B 2 14  ? -22.573 6.920   -18.413 1.00 54.80  ? 23  TYR   B O   1 
ATOM   397  C CB  . TYR   B 2 14  ? -25.658 7.308   -17.804 1.00 51.13  ? 23  TYR   B CB  1 
ATOM   398  C CG  . TYR   B 2 14  ? -27.137 7.133   -18.012 1.00 45.14  ? 23  TYR   B CG  1 
ATOM   399  C CD1 . TYR   B 2 14  ? -27.674 5.893   -18.291 1.00 44.08  ? 23  TYR   B CD1 1 
ATOM   400  C CD2 . TYR   B 2 14  ? -27.996 8.218   -17.937 1.00 50.58  ? 23  TYR   B CD2 1 
ATOM   401  C CE1 . TYR   B 2 14  ? -29.024 5.717   -18.524 1.00 43.96  ? 23  TYR   B CE1 1 
ATOM   402  C CE2 . TYR   B 2 14  ? -29.352 8.071   -18.169 1.00 49.14  ? 23  TYR   B CE2 1 
ATOM   403  C CZ  . TYR   B 2 14  ? -29.870 6.819   -18.451 1.00 51.60  ? 23  TYR   B CZ  1 
ATOM   404  O OH  . TYR   B 2 14  ? -31.215 6.678   -18.637 1.00 52.28  ? 23  TYR   B OH  1 
ATOM   405  N N   . ARG   B 2 15  ? -23.187 8.949   -19.197 1.00 48.50  ? 24  ARG   B N   1 
ATOM   406  C CA  . ARG   B 2 15  ? -21.992 9.674   -18.737 1.00 48.98  ? 24  ARG   B CA  1 
ATOM   407  C C   . ARG   B 2 15  ? -22.248 10.122  -17.302 1.00 56.95  ? 24  ARG   B C   1 
ATOM   408  O O   . ARG   B 2 15  ? -23.427 10.399  -16.969 1.00 51.80  ? 24  ARG   B O   1 
ATOM   409  C CB  . ARG   B 2 15  ? -21.707 10.897  -19.613 1.00 53.72  ? 24  ARG   B CB  1 
ATOM   410  C CG  . ARG   B 2 15  ? -21.642 10.575  -21.092 1.00 51.51  ? 24  ARG   B CG  1 
ATOM   411  C CD  . ARG   B 2 15  ? -21.565 11.823  -21.950 1.00 60.39  ? 24  ARG   B CD  1 
ATOM   412  N NE  . ARG   B 2 15  ? -21.706 11.393  -23.339 1.00 58.93  ? 24  ARG   B NE  1 
ATOM   413  C CZ  . ARG   B 2 15  ? -20.720 11.267  -24.221 1.00 53.15  ? 24  ARG   B CZ  1 
ATOM   414  N NH1 . ARG   B 2 15  ? -19.478 11.600  -23.903 1.00 51.19  ? 24  ARG   B NH1 1 
ATOM   415  N NH2 . ARG   B 2 15  ? -21.014 10.839  -25.436 1.00 53.44  ? 24  ARG   B NH2 1 
ATOM   416  N N   . VAL   B 2 16  ? -21.164 10.220  -16.535 1.00 50.20  ? 25  VAL   B N   1 
ATOM   417  C CA  . VAL   B 2 16  ? -21.106 10.784  -15.166 1.00 55.94  ? 25  VAL   B CA  1 
ATOM   418  C C   . VAL   B 2 16  ? -20.286 12.072  -15.266 1.00 53.72  ? 25  VAL   B C   1 
ATOM   419  O O   . VAL   B 2 16  ? -19.115 11.964  -15.619 1.00 48.09  ? 25  VAL   B O   1 
ATOM   420  C CB  . VAL   B 2 16  ? -20.478 9.750   -14.204 1.00 55.62  ? 25  VAL   B CB  1 
ATOM   421  C CG1 . VAL   B 2 16  ? -20.336 10.274  -12.778 1.00 55.12  ? 25  VAL   B CG1 1 
ATOM   422  C CG2 . VAL   B 2 16  ? -21.260 8.456   -14.213 1.00 50.05  ? 25  VAL   B CG2 1 
ATOM   423  N N   . MET   B 2 17  ? -20.892 13.229  -14.972 1.00 57.44  ? 26  MET   B N   1 
ATOM   424  C CA  . MET   B 2 17  ? -20.300 14.578  -15.165 1.00 55.48  ? 26  MET   B CA  1 
ATOM   425  C C   . MET   B 2 17  ? -20.187 15.300  -13.817 1.00 58.89  ? 26  MET   B C   1 
ATOM   426  O O   . MET   B 2 17  ? -21.004 15.010  -12.945 1.00 55.31  ? 26  MET   B O   1 
ATOM   427  C CB  . MET   B 2 17  ? -21.178 15.414  -16.096 1.00 57.87  ? 26  MET   B CB  1 
ATOM   428  C CG  . MET   B 2 17  ? -21.624 14.691  -17.375 1.00 64.83  ? 26  MET   B CG  1 
ATOM   429  S SD  . MET   B 2 17  ? -20.319 14.315  -18.601 1.00 67.77  ? 26  MET   B SD  1 
ATOM   430  C CE  . MET   B 2 17  ? -19.448 15.879  -18.668 1.00 72.56  ? 26  MET   B CE  1 
ATOM   431  N N   . THR   B 2 18  ? -19.203 16.202  -13.686 1.00 55.91  ? 27  THR   B N   1 
ATOM   432  C CA  . THR   B 2 18  ? -19.039 17.179  -12.575 1.00 59.23  ? 27  THR   B CA  1 
ATOM   433  C C   . THR   B 2 18  ? -18.859 18.586  -13.163 1.00 68.43  ? 27  THR   B C   1 
ATOM   434  O O   . THR   B 2 18  ? -18.307 18.707  -14.291 1.00 54.78  ? 27  THR   B O   1 
ATOM   435  C CB  . THR   B 2 18  ? -17.855 16.817  -11.662 1.00 63.05  ? 27  THR   B CB  1 
ATOM   436  O OG1 . THR   B 2 18  ? -17.829 17.734  -10.562 1.00 63.88  ? 27  THR   B OG1 1 
ATOM   437  C CG2 . THR   B 2 18  ? -16.505 16.812  -12.359 1.00 54.76  ? 27  THR   B CG2 1 
ATOM   438  N N   . ARG   B 2 19  ? -19.305 19.618  -12.440 1.00 70.06  ? 28  ARG   B N   1 
ATOM   439  C CA  . ARG   B 2 19  ? -19.007 21.032  -12.805 1.00 81.55  ? 28  ARG   B CA  1 
ATOM   440  C C   . ARG   B 2 19  ? -17.989 21.618  -11.816 1.00 75.50  ? 28  ARG   B C   1 
ATOM   441  O O   . ARG   B 2 19  ? -17.643 22.794  -11.992 1.00 90.73  ? 28  ARG   B O   1 
ATOM   442  C CB  . ARG   B 2 19  ? -20.304 21.840  -12.931 1.00 80.22  ? 28  ARG   B CB  1 
ATOM   443  C CG  . ARG   B 2 19  ? -21.179 21.394  -14.097 1.00 89.82  ? 28  ARG   B CG  1 
ATOM   444  C CD  . ARG   B 2 19  ? -21.897 22.528  -14.806 1.00 98.38  ? 28  ARG   B CD  1 
ATOM   445  N NE  . ARG   B 2 19  ? -23.110 22.106  -15.507 1.00 104.91 ? 28  ARG   B NE  1 
ATOM   446  C CZ  . ARG   B 2 19  ? -24.270 21.779  -14.924 1.00 110.24 ? 28  ARG   B CZ  1 
ATOM   447  N NH1 . ARG   B 2 19  ? -24.399 21.798  -13.605 1.00 108.47 ? 28  ARG   B NH1 1 
ATOM   448  N NH2 . ARG   B 2 19  ? -25.301 21.416  -15.672 1.00 107.55 ? 28  ARG   B NH2 1 
ATOM   449  N N   . ARG   B 2 20  ? -17.463 20.805  -10.887 1.00 77.61  ? 29  ARG   B N   1 
ATOM   450  C CA  . ARG   B 2 20  ? -16.570 21.250  -9.778  1.00 86.52  ? 29  ARG   B CA  1 
ATOM   451  C C   . ARG   B 2 20  ? -15.209 21.681  -10.335 1.00 83.47  ? 29  ARG   B C   1 
ATOM   452  O O   . ARG   B 2 20  ? -14.522 22.460  -9.660  1.00 97.43  ? 29  ARG   B O   1 
ATOM   453  C CB  . ARG   B 2 20  ? -16.388 20.163  -8.713  1.00 90.98  ? 29  ARG   B CB  1 
ATOM   454  C CG  . ARG   B 2 20  ? -16.242 20.730  -7.306  1.00 105.93 ? 29  ARG   B CG  1 
ATOM   455  C CD  . ARG   B 2 20  ? -15.877 19.711  -6.243  1.00 119.94 ? 29  ARG   B CD  1 
ATOM   456  N NE  . ARG   B 2 20  ? -14.746 18.872  -6.632  1.00 134.86 ? 29  ARG   B NE  1 
ATOM   457  C CZ  . ARG   B 2 20  ? -13.466 19.069  -6.301  1.00 134.48 ? 29  ARG   B CZ  1 
ATOM   458  N NH1 . ARG   B 2 20  ? -13.102 20.095  -5.546  1.00 135.25 ? 29  ARG   B NH1 1 
ATOM   459  N NH2 . ARG   B 2 20  ? -12.544 18.223  -6.733  1.00 123.37 ? 29  ARG   B NH2 1 
ATOM   460  N N   . LEU   B 2 21  ? -14.837 21.188  -11.515 1.00 86.93  ? 30  LEU   B N   1 
ATOM   461  C CA  . LEU   B 2 21  ? -13.602 21.580  -12.246 1.00 80.58  ? 30  LEU   B CA  1 
ATOM   462  C C   . LEU   B 2 21  ? -13.946 22.680  -13.258 1.00 81.49  ? 30  LEU   B C   1 
ATOM   463  O O   . LEU   B 2 21  ? -15.043 23.299  -13.156 1.00 86.74  ? 30  LEU   B O   1 
ATOM   464  C CB  . LEU   B 2 21  ? -13.044 20.339  -12.947 1.00 80.51  ? 30  LEU   B CB  1 
ATOM   465  C CG  . LEU   B 2 21  ? -12.216 19.373  -12.100 1.00 83.55  ? 30  LEU   B CG  1 
ATOM   466  C CD1 . LEU   B 2 21  ? -12.499 19.511  -10.609 1.00 83.09  ? 30  LEU   B CD1 1 
ATOM   467  C CD2 . LEU   B 2 21  ? -12.430 17.932  -12.575 1.00 76.63  ? 30  LEU   B CD2 1 
ATOM   468  N N   . LEU   B 2 22  ? -13.036 22.936  -14.195 1.00 77.87  ? 31  LEU   B N   1 
ATOM   469  C CA  . LEU   B 2 22  ? -13.319 23.802  -15.361 1.00 70.51  ? 31  LEU   B CA  1 
ATOM   470  C C   . LEU   B 2 22  ? -14.447 23.171  -16.167 1.00 71.21  ? 31  LEU   B C   1 
ATOM   471  O O   . LEU   B 2 22  ? -14.494 21.928  -16.216 1.00 70.22  ? 31  LEU   B O   1 
ATOM   472  C CB  . LEU   B 2 22  ? -12.074 23.908  -16.228 1.00 71.40  ? 31  LEU   B CB  1 
ATOM   473  C CG  . LEU   B 2 22  ? -12.151 25.017  -17.263 1.00 72.24  ? 31  LEU   B CG  1 
ATOM   474  C CD1 . LEU   B 2 22  ? -11.940 26.360  -16.583 1.00 69.83  ? 31  LEU   B CD1 1 
ATOM   475  C CD2 . LEU   B 2 22  ? -11.130 24.785  -18.367 1.00 79.49  ? 31  LEU   B CD2 1 
ATOM   476  N N   . GLY   B 2 23  ? -15.302 23.993  -16.781 1.00 70.12  ? 32  GLY   B N   1 
ATOM   477  C CA  . GLY   B 2 23  ? -16.391 23.526  -17.660 1.00 59.60  ? 32  GLY   B CA  1 
ATOM   478  C C   . GLY   B 2 23  ? -17.196 22.408  -17.015 1.00 58.49  ? 32  GLY   B C   1 
ATOM   479  O O   . GLY   B 2 23  ? -17.246 22.317  -15.770 1.00 54.07  ? 32  GLY   B O   1 
ATOM   480  N N   . SER   B 2 24  ? -17.863 21.615  -17.842 1.00 60.05  ? 33  SER   B N   1 
ATOM   481  C CA  . SER   B 2 24  ? -18.411 20.293  -17.476 1.00 61.65  ? 33  SER   B CA  1 
ATOM   482  C C   . SER   B 2 24  ? -17.350 19.256  -17.847 1.00 65.76  ? 33  SER   B C   1 
ATOM   483  O O   . SER   B 2 24  ? -16.775 19.392  -18.934 1.00 65.07  ? 33  SER   B O   1 
ATOM   484  C CB  . SER   B 2 24  ? -19.702 20.044  -18.180 1.00 64.18  ? 33  SER   B CB  1 
ATOM   485  O OG  . SER   B 2 24  ? -20.628 21.061  -17.858 1.00 68.82  ? 33  SER   B OG  1 
ATOM   486  N N   . THR   B 2 25  ? -17.087 18.294  -16.961 1.00 62.97  ? 34  THR   B N   1 
ATOM   487  C CA  . THR   B 2 25  ? -16.015 17.271  -17.093 1.00 62.25  ? 34  THR   B CA  1 
ATOM   488  C C   . THR   B 2 25  ? -16.607 15.874  -16.865 1.00 60.70  ? 34  THR   B C   1 
ATOM   489  O O   . THR   B 2 25  ? -17.296 15.682  -15.826 1.00 64.03  ? 34  THR   B O   1 
ATOM   490  C CB  . THR   B 2 25  ? -14.890 17.570  -16.099 1.00 64.03  ? 34  THR   B CB  1 
ATOM   491  O OG1 . THR   B 2 25  ? -14.614 18.972  -16.169 1.00 57.55  ? 34  THR   B OG1 1 
ATOM   492  C CG2 . THR   B 2 25  ? -13.645 16.754  -16.368 1.00 63.33  ? 34  THR   B CG2 1 
ATOM   493  N N   . GLN   B 2 26  ? -16.343 14.935  -17.780 1.00 53.53  ? 35  GLN   B N   1 
ATOM   494  C CA  . GLN   B 2 26  ? -16.820 13.524  -17.675 1.00 57.49  ? 35  GLN   B CA  1 
ATOM   495  C C   . GLN   B 2 26  ? -15.811 12.695  -16.859 1.00 59.72  ? 35  GLN   B C   1 
ATOM   496  O O   . GLN   B 2 26  ? -14.723 12.362  -17.361 1.00 62.76  ? 35  GLN   B O   1 
ATOM   497  C CB  . GLN   B 2 26  ? -17.042 12.916  -19.054 1.00 57.40  ? 35  GLN   B CB  1 
ATOM   498  C CG  . GLN   B 2 26  ? -17.534 11.490  -18.991 1.00 58.70  ? 35  GLN   B CG  1 
ATOM   499  C CD  . GLN   B 2 26  ? -17.876 10.945  -20.350 1.00 56.81  ? 35  GLN   B CD  1 
ATOM   500  O OE1 . GLN   B 2 26  ? -18.625 11.549  -21.109 1.00 61.87  ? 35  GLN   B OE1 1 
ATOM   501  N NE2 . GLN   B 2 26  ? -17.385 9.750   -20.634 1.00 59.44  ? 35  GLN   B NE2 1 
ATOM   502  N N   . VAL   B 2 27  ? -16.172 12.378  -15.624 1.00 53.18  ? 36  VAL   B N   1 
ATOM   503  C CA  . VAL   B 2 27  ? -15.299 11.666  -14.654 1.00 53.42  ? 36  VAL   B CA  1 
ATOM   504  C C   . VAL   B 2 27  ? -15.483 10.157  -14.830 1.00 47.90  ? 36  VAL   B C   1 
ATOM   505  O O   . VAL   B 2 27  ? -14.635 9.413   -14.340 1.00 55.62  ? 36  VAL   B O   1 
ATOM   506  C CB  . VAL   B 2 27  ? -15.604 12.149  -13.225 1.00 63.22  ? 36  VAL   B CB  1 
ATOM   507  C CG1 . VAL   B 2 27  ? -15.174 13.598  -13.036 1.00 66.20  ? 36  VAL   B CG1 1 
ATOM   508  C CG2 . VAL   B 2 27  ? -17.073 11.979  -12.849 1.00 59.59  ? 36  VAL   B CG2 1 
ATOM   509  N N   . GLY   B 2 28  ? -16.524 9.715   -15.532 1.00 48.25  ? 37  GLY   B N   1 
ATOM   510  C CA  . GLY   B 2 28  ? -16.774 8.276   -15.725 1.00 44.36  ? 37  GLY   B CA  1 
ATOM   511  C C   . GLY   B 2 28  ? -18.068 7.992   -16.464 1.00 45.99  ? 37  GLY   B C   1 
ATOM   512  O O   . GLY   B 2 28  ? -18.630 8.918   -17.071 1.00 51.64  ? 37  GLY   B O   1 
ATOM   513  N N   . VAL   B 2 29  ? -18.517 6.735   -16.417 1.00 44.28  ? 38  VAL   B N   1 
ATOM   514  C CA  . VAL   B 2 29  ? -19.657 6.172   -17.206 1.00 41.00  ? 38  VAL   B CA  1 
ATOM   515  C C   . VAL   B 2 29  ? -20.409 5.186   -16.315 1.00 40.29  ? 38  VAL   B C   1 
ATOM   516  O O   . VAL   B 2 29  ? -19.845 4.739   -15.322 1.00 46.37  ? 38  VAL   B O   1 
ATOM   517  C CB  . VAL   B 2 29  ? -19.143 5.478   -18.480 1.00 43.50  ? 38  VAL   B CB  1 
ATOM   518  C CG1 . VAL   B 2 29  ? -20.221 4.755   -19.265 1.00 43.63  ? 38  VAL   B CG1 1 
ATOM   519  C CG2 . VAL   B 2 29  ? -18.402 6.444   -19.375 1.00 46.18  ? 38  VAL   B CG2 1 
ATOM   520  N N   . GLY   B 2 30  ? -21.632 4.821   -16.660 1.00 40.79  ? 39  GLY   B N   1 
ATOM   521  C CA  . GLY   B 2 30  ? -22.358 3.847   -15.850 1.00 39.44  ? 39  GLY   B CA  1 
ATOM   522  C C   . GLY   B 2 30  ? -23.485 3.267   -16.624 1.00 39.21  ? 39  GLY   B C   1 
ATOM   523  O O   . GLY   B 2 30  ? -23.707 3.723   -17.727 1.00 44.95  ? 39  GLY   B O   1 
ATOM   524  N N   . VAL   B 2 31  ? -24.166 2.306   -16.017 1.00 45.59  ? 40  VAL   B N   1 
ATOM   525  C CA  . VAL   B 2 31  ? -25.238 1.488   -16.639 1.00 42.56  ? 40  VAL   B CA  1 
ATOM   526  C C   . VAL   B 2 31  ? -26.485 1.552   -15.768 1.00 47.14  ? 40  VAL   B C   1 
ATOM   527  O O   . VAL   B 2 31  ? -26.404 1.098   -14.614 1.00 42.57  ? 40  VAL   B O   1 
ATOM   528  C CB  . VAL   B 2 31  ? -24.813 0.016   -16.779 1.00 44.90  ? 40  VAL   B CB  1 
ATOM   529  C CG1 . VAL   B 2 31  ? -25.929 -0.822  -17.363 1.00 44.43  ? 40  VAL   B CG1 1 
ATOM   530  C CG2 . VAL   B 2 31  ? -23.569 -0.103  -17.621 1.00 48.18  ? 40  VAL   B CG2 1 
ATOM   531  N N   . MET   B 2 32  ? -27.599 2.034   -16.331 1.00 45.60  ? 41  MET   B N   1 
ATOM   532  C CA  . MET   B 2 32  ? -28.927 1.941   -15.690 1.00 46.11  ? 41  MET   B CA  1 
ATOM   533  C C   . MET   B 2 32  ? -29.541 0.634   -16.167 1.00 44.70  ? 41  MET   B C   1 
ATOM   534  O O   . MET   B 2 32  ? -29.583 0.442   -17.393 1.00 46.01  ? 41  MET   B O   1 
ATOM   535  C CB  . MET   B 2 32  ? -29.838 3.105   -16.108 1.00 52.11  ? 41  MET   B CB  1 
ATOM   536  C CG  . MET   B 2 32  ? -31.122 3.225   -15.269 1.00 54.06  ? 41  MET   B CG  1 
ATOM   537  S SD  . MET   B 2 32  ? -30.825 3.791   -13.574 1.00 56.69  ? 41  MET   B SD  1 
ATOM   538  C CE  . MET   B 2 32  ? -29.996 5.344   -13.907 1.00 50.78  ? 41  MET   B CE  1 
ATOM   539  N N   . GLN   B 2 33  ? -30.014 -0.207  -15.248 1.00 48.41  ? 42  GLN   B N   1 
ATOM   540  C CA  . GLN   B 2 33  ? -30.804 -1.420  -15.574 1.00 50.02  ? 42  GLN   B CA  1 
ATOM   541  C C   . GLN   B 2 33  ? -31.684 -1.725  -14.382 1.00 50.13  ? 42  GLN   B C   1 
ATOM   542  O O   . GLN   B 2 33  ? -31.177 -1.613  -13.247 1.00 54.86  ? 42  GLN   B O   1 
ATOM   543  C CB  . GLN   B 2 33  ? -29.901 -2.628  -15.871 1.00 54.47  ? 42  GLN   B CB  1 
ATOM   544  C CG  . GLN   B 2 33  ? -30.656 -3.809  -16.475 1.00 61.52  ? 42  GLN   B CG  1 
ATOM   545  C CD  . GLN   B 2 33  ? -29.756 -4.996  -16.724 1.00 67.04  ? 42  GLN   B CD  1 
ATOM   546  O OE1 . GLN   B 2 33  ? -29.925 -6.065  -16.140 1.00 65.70  ? 42  GLN   B OE1 1 
ATOM   547  N NE2 . GLN   B 2 33  ? -28.766 -4.809  -17.581 1.00 61.92  ? 42  GLN   B NE2 1 
ATOM   548  N N   . GLU   B 2 34  ? -32.933 -2.099  -14.630 1.00 51.07  ? 43  GLU   B N   1 
ATOM   549  C CA  . GLU   B 2 34  ? -33.909 -2.430  -13.564 1.00 58.12  ? 43  GLU   B CA  1 
ATOM   550  C C   . GLU   B 2 34  ? -33.968 -1.274  -12.546 1.00 58.01  ? 43  GLU   B C   1 
ATOM   551  O O   . GLU   B 2 34  ? -34.159 -1.516  -11.338 1.00 58.54  ? 43  GLU   B O   1 
ATOM   552  C CB  . GLU   B 2 34  ? -33.539 -3.802  -12.988 1.00 62.81  ? 43  GLU   B CB  1 
ATOM   553  C CG  . GLU   B 2 34  ? -33.798 -4.931  -13.991 1.00 65.16  ? 43  GLU   B CG  1 
ATOM   554  C CD  . GLU   B 2 34  ? -33.079 -6.255  -13.761 1.00 67.36  ? 43  GLU   B CD  1 
ATOM   555  O OE1 . GLU   B 2 34  ? -33.594 -7.079  -13.001 1.00 69.73  ? 43  GLU   B OE1 1 
ATOM   556  O OE2 . GLU   B 2 34  ? -32.006 -6.462  -14.350 1.00 69.63  ? 43  GLU   B OE2 1 
ATOM   557  N N   . GLY   B 2 35  ? -33.836 -0.040  -13.021 1.00 52.07  ? 44  GLY   B N   1 
ATOM   558  C CA  . GLY   B 2 35  ? -33.979 1.166   -12.192 1.00 52.61  ? 44  GLY   B CA  1 
ATOM   559  C C   . GLY   B 2 35  ? -32.844 1.307   -11.208 1.00 55.70  ? 44  GLY   B C   1 
ATOM   560  O O   . GLY   B 2 35  ? -32.990 2.098   -10.279 1.00 57.27  ? 44  GLY   B O   1 
ATOM   561  N N   . VAL   B 2 36  ? -31.754 0.557   -11.391 1.00 51.80  ? 45  VAL   B N   1 
ATOM   562  C CA  . VAL   B 2 36  ? -30.508 0.677   -10.579 1.00 45.14  ? 45  VAL   B CA  1 
ATOM   563  C C   . VAL   B 2 36  ? -29.407 1.275   -11.460 1.00 43.80  ? 45  VAL   B C   1 
ATOM   564  O O   . VAL   B 2 36  ? -29.269 0.836   -12.616 1.00 45.44  ? 45  VAL   B O   1 
ATOM   565  C CB  . VAL   B 2 36  ? -30.067 -0.678  -9.997  1.00 46.33  ? 45  VAL   B CB  1 
ATOM   566  C CG1 . VAL   B 2 36  ? -28.720 -0.548  -9.306  1.00 41.00  ? 45  VAL   B CG1 1 
ATOM   567  C CG2 . VAL   B 2 36  ? -31.104 -1.258  -9.039  1.00 48.84  ? 45  VAL   B CG2 1 
ATOM   568  N N   . PHE   B 2 37  ? -28.614 2.199   -10.922 1.00 44.51  ? 46  PHE   B N   1 
ATOM   569  C CA  . PHE   B 2 37  ? -27.444 2.754   -11.642 1.00 44.66  ? 46  PHE   B CA  1 
ATOM   570  C C   . PHE   B 2 37  ? -26.159 2.122   -11.092 1.00 42.80  ? 46  PHE   B C   1 
ATOM   571  O O   . PHE   B 2 37  ? -25.926 2.169   -9.880  1.00 45.62  ? 46  PHE   B O   1 
ATOM   572  C CB  . PHE   B 2 37  ? -27.396 4.274   -11.558 1.00 43.09  ? 46  PHE   B CB  1 
ATOM   573  C CG  . PHE   B 2 37  ? -26.383 4.880   -12.493 1.00 38.99  ? 46  PHE   B CG  1 
ATOM   574  C CD1 . PHE   B 2 37  ? -26.513 4.735   -13.857 1.00 41.09  ? 46  PHE   B CD1 1 
ATOM   575  C CD2 . PHE   B 2 37  ? -25.312 5.594   -12.004 1.00 40.50  ? 46  PHE   B CD2 1 
ATOM   576  C CE1 . PHE   B 2 37  ? -25.598 5.309   -14.722 1.00 45.66  ? 46  PHE   B CE1 1 
ATOM   577  C CE2 . PHE   B 2 37  ? -24.369 6.124   -12.869 1.00 46.89  ? 46  PHE   B CE2 1 
ATOM   578  C CZ  . PHE   B 2 37  ? -24.526 5.991   -14.225 1.00 42.02  ? 46  PHE   B CZ  1 
ATOM   579  N N   . HIS   B 2 38  ? -25.346 1.573   -12.000 1.00 48.54  ? 47  HIS   B N   1 
ATOM   580  C CA  . HIS   B 2 38  ? -24.116 0.782   -11.726 1.00 40.11  ? 47  HIS   B CA  1 
ATOM   581  C C   . HIS   B 2 38  ? -22.912 1.550   -12.264 1.00 37.28  ? 47  HIS   B C   1 
ATOM   582  O O   . HIS   B 2 38  ? -22.928 1.890   -13.450 1.00 39.06  ? 47  HIS   B O   1 
ATOM   583  C CB  . HIS   B 2 38  ? -24.233 -0.548  -12.442 1.00 43.15  ? 47  HIS   B CB  1 
ATOM   584  C CG  . HIS   B 2 38  ? -25.465 -1.325  -12.139 1.00 37.56  ? 47  HIS   B CG  1 
ATOM   585  N ND1 . HIS   B 2 38  ? -26.691 -1.010  -12.662 1.00 44.77  ? 47  HIS   B ND1 1 
ATOM   586  C CD2 . HIS   B 2 38  ? -25.639 -2.455  -11.424 1.00 42.97  ? 47  HIS   B CD2 1 
ATOM   587  C CE1 . HIS   B 2 38  ? -27.578 -1.911  -12.269 1.00 38.75  ? 47  HIS   B CE1 1 
ATOM   588  N NE2 . HIS   B 2 38  ? -26.958 -2.788  -11.480 1.00 42.98  ? 47  HIS   B NE2 1 
ATOM   589  N N   . THR   B 2 39  ? -21.911 1.819   -11.444 1.00 41.74  ? 48  THR   B N   1 
ATOM   590  C CA  . THR   B 2 39  ? -20.676 2.449   -11.959 1.00 47.14  ? 48  THR   B CA  1 
ATOM   591  C C   . THR   B 2 39  ? -19.507 1.926   -11.140 1.00 49.94  ? 48  THR   B C   1 
ATOM   592  O O   . THR   B 2 39  ? -19.715 0.970   -10.349 1.00 49.65  ? 48  THR   B O   1 
ATOM   593  C CB  . THR   B 2 39  ? -20.825 3.971   -11.992 1.00 43.66  ? 48  THR   B CB  1 
ATOM   594  O OG1 . THR   B 2 39  ? -19.736 4.573   -12.692 1.00 50.27  ? 48  THR   B OG1 1 
ATOM   595  C CG2 . THR   B 2 39  ? -20.902 4.548   -10.603 1.00 48.23  ? 48  THR   B CG2 1 
ATOM   596  N N   . MET   B 2 40  ? -18.335 2.521   -11.327 1.00 47.08  ? 49  MET   B N   1 
ATOM   597  C CA  . MET   B 2 40  ? -17.125 2.121   -10.575 1.00 44.63  ? 49  MET   B CA  1 
ATOM   598  C C   . MET   B 2 40  ? -16.977 3.120   -9.432  1.00 47.22  ? 49  MET   B C   1 
ATOM   599  O O   . MET   B 2 40  ? -17.289 4.284   -9.616  1.00 48.38  ? 49  MET   B O   1 
ATOM   600  C CB  . MET   B 2 40  ? -15.899 2.097   -11.493 1.00 41.85  ? 49  MET   B CB  1 
ATOM   601  C CG  . MET   B 2 40  ? -16.128 1.258   -12.733 1.00 42.27  ? 49  MET   B CG  1 
ATOM   602  S SD  . MET   B 2 40  ? -14.673 0.378   -13.277 1.00 59.70  ? 49  MET   B SD  1 
ATOM   603  C CE  . MET   B 2 40  ? -14.842 -1.131  -12.337 1.00 55.91  ? 49  MET   B CE  1 
ATOM   604  N N   A TRP   B 2 41  ? -16.514 2.644   -8.271  0.25 46.86  ? 50  TRP   B N   1 
ATOM   605  N N   B TRP   B 2 41  ? -16.506 2.647   -8.277  0.25 46.98  ? 50  TRP   B N   1 
ATOM   606  N N   C TRP   B 2 41  ? -16.514 2.644   -8.271  0.25 46.86  ? 50  TRP   B N   1 
ATOM   607  N N   D TRP   B 2 41  ? -16.506 2.647   -8.277  0.25 46.98  ? 50  TRP   B N   1 
ATOM   608  C CA  A TRP   B 2 41  ? -16.422 3.410   -6.999  0.25 46.78  ? 50  TRP   B CA  1 
ATOM   609  C CA  B TRP   B 2 41  ? -16.444 3.431   -7.017  0.25 46.97  ? 50  TRP   B CA  1 
ATOM   610  C CA  C TRP   B 2 41  ? -16.422 3.410   -6.999  0.25 46.78  ? 50  TRP   B CA  1 
ATOM   611  C CA  D TRP   B 2 41  ? -16.444 3.431   -7.017  0.25 46.97  ? 50  TRP   B CA  1 
ATOM   612  C C   A TRP   B 2 41  ? -15.508 4.624   -7.185  0.25 49.50  ? 50  TRP   B C   1 
ATOM   613  C C   B TRP   B 2 41  ? -15.509 4.631   -7.190  0.25 49.60  ? 50  TRP   B C   1 
ATOM   614  C C   C TRP   B 2 41  ? -15.508 4.624   -7.185  0.25 49.50  ? 50  TRP   B C   1 
ATOM   615  C C   D TRP   B 2 41  ? -15.509 4.631   -7.190  0.25 49.60  ? 50  TRP   B C   1 
ATOM   616  O O   A TRP   B 2 41  ? -15.874 5.715   -6.713  0.25 51.93  ? 50  TRP   B O   1 
ATOM   617  O O   B TRP   B 2 41  ? -15.862 5.722   -6.708  0.25 51.91  ? 50  TRP   B O   1 
ATOM   618  O O   C TRP   B 2 41  ? -15.874 5.715   -6.713  0.25 51.93  ? 50  TRP   B O   1 
ATOM   619  O O   D TRP   B 2 41  ? -15.862 5.722   -6.708  0.25 51.91  ? 50  TRP   B O   1 
ATOM   620  C CB  A TRP   B 2 41  ? -15.922 2.508   -5.864  0.25 45.00  ? 50  TRP   B CB  1 
ATOM   621  C CB  B TRP   B 2 41  ? -16.005 2.554   -5.843  0.25 45.39  ? 50  TRP   B CB  1 
ATOM   622  C CB  C TRP   B 2 41  ? -15.922 2.508   -5.864  0.25 45.00  ? 50  TRP   B CB  1 
ATOM   623  C CB  D TRP   B 2 41  ? -16.005 2.554   -5.843  0.25 45.39  ? 50  TRP   B CB  1 
ATOM   624  C CG  A TRP   B 2 41  ? -16.045 3.096   -4.493  0.25 44.35  ? 50  TRP   B CG  1 
ATOM   625  C CG  B TRP   B 2 41  ? -15.901 3.329   -4.569  0.25 44.91  ? 50  TRP   B CG  1 
ATOM   626  C CG  C TRP   B 2 41  ? -16.045 3.096   -4.493  0.25 44.35  ? 50  TRP   B CG  1 
ATOM   627  C CG  D TRP   B 2 41  ? -15.901 3.329   -4.569  0.25 44.91  ? 50  TRP   B CG  1 
ATOM   628  C CD1 A TRP   B 2 41  ? -16.954 2.753   -3.535  0.25 45.48  ? 50  TRP   B CD1 1 
ATOM   629  C CD1 B TRP   B 2 41  ? -14.831 4.054   -4.135  0.25 45.08  ? 50  TRP   B CD1 1 
ATOM   630  C CD1 C TRP   B 2 41  ? -16.954 2.753   -3.535  0.25 45.48  ? 50  TRP   B CD1 1 
ATOM   631  C CD1 D TRP   B 2 41  ? -14.831 4.054   -4.135  0.25 45.08  ? 50  TRP   B CD1 1 
ATOM   632  C CD2 A TRP   B 2 41  ? -15.214 4.114   -3.907  0.25 43.89  ? 50  TRP   B CD2 1 
ATOM   633  C CD2 B TRP   B 2 41  ? -16.928 3.496   -3.580  0.25 46.12  ? 50  TRP   B CD2 1 
ATOM   634  C CD2 C TRP   B 2 41  ? -15.214 4.114   -3.907  0.25 43.89  ? 50  TRP   B CD2 1 
ATOM   635  C CD2 D TRP   B 2 41  ? -16.928 3.496   -3.580  0.25 46.12  ? 50  TRP   B CD2 1 
ATOM   636  N NE1 A TRP   B 2 41  ? -16.745 3.483   -2.396  0.25 46.30  ? 50  TRP   B NE1 1 
ATOM   637  N NE1 B TRP   B 2 41  ? -15.112 4.641   -2.933  0.25 45.22  ? 50  TRP   B NE1 1 
ATOM   638  N NE1 C TRP   B 2 41  ? -16.745 3.483   -2.396  0.25 46.30  ? 50  TRP   B NE1 1 
ATOM   639  N NE1 D TRP   B 2 41  ? -15.112 4.641   -2.933  0.25 45.22  ? 50  TRP   B NE1 1 
ATOM   640  C CE2 A TRP   B 2 41  ? -15.689 4.331   -2.597  0.25 45.09  ? 50  TRP   B CE2 1 
ATOM   641  C CE2 B TRP   B 2 41  ? -16.391 4.315   -2.566  0.25 46.61  ? 50  TRP   B CE2 1 
ATOM   642  C CE2 C TRP   B 2 41  ? -15.689 4.331   -2.597  0.25 45.09  ? 50  TRP   B CE2 1 
ATOM   643  C CE2 D TRP   B 2 41  ? -16.391 4.315   -2.566  0.25 46.61  ? 50  TRP   B CE2 1 
ATOM   644  C CE3 A TRP   B 2 41  ? -14.121 4.861   -4.355  0.25 45.41  ? 50  TRP   B CE3 1 
ATOM   645  C CE3 B TRP   B 2 41  ? -18.237 3.022   -3.441  0.25 46.66  ? 50  TRP   B CE3 1 
ATOM   646  C CE3 C TRP   B 2 41  ? -14.121 4.861   -4.355  0.25 45.41  ? 50  TRP   B CE3 1 
ATOM   647  C CE3 D TRP   B 2 41  ? -18.237 3.022   -3.441  0.25 46.66  ? 50  TRP   B CE3 1 
ATOM   648  C CZ2 A TRP   B 2 41  ? -15.109 5.265   -1.739  0.25 46.94  ? 50  TRP   B CZ2 1 
ATOM   649  C CZ2 B TRP   B 2 41  ? -17.123 4.672   -1.434  0.25 47.61  ? 50  TRP   B CZ2 1 
ATOM   650  C CZ2 C TRP   B 2 41  ? -15.109 5.265   -1.739  0.25 46.94  ? 50  TRP   B CZ2 1 
ATOM   651  C CZ2 D TRP   B 2 41  ? -17.123 4.672   -1.434  0.25 47.61  ? 50  TRP   B CZ2 1 
ATOM   652  C CZ3 A TRP   B 2 41  ? -13.548 5.781   -3.506  0.25 43.72  ? 50  TRP   B CZ3 1 
ATOM   653  C CZ3 B TRP   B 2 41  ? -18.960 3.379   -2.323  0.25 48.08  ? 50  TRP   B CZ3 1 
ATOM   654  C CZ3 C TRP   B 2 41  ? -13.548 5.781   -3.506  0.25 43.72  ? 50  TRP   B CZ3 1 
ATOM   655  C CZ3 D TRP   B 2 41  ? -18.960 3.379   -2.323  0.25 48.08  ? 50  TRP   B CZ3 1 
ATOM   656  C CH2 A TRP   B 2 41  ? -14.039 5.982   -2.219  0.25 45.23  ? 50  TRP   B CH2 1 
ATOM   657  C CH2 B TRP   B 2 41  ? -18.407 4.190   -1.332  0.25 47.34  ? 50  TRP   B CH2 1 
ATOM   658  C CH2 C TRP   B 2 41  ? -14.039 5.982   -2.219  0.25 45.23  ? 50  TRP   B CH2 1 
ATOM   659  C CH2 D TRP   B 2 41  ? -18.407 4.190   -1.332  0.25 47.34  ? 50  TRP   B CH2 1 
ATOM   660  N N   . HIS   B 2 42  ? -14.368 4.442   -7.854  1.00 48.31  ? 51  HIS   B N   1 
ATOM   661  C CA  . HIS   B 2 42  ? -13.388 5.541   -8.060  1.00 51.28  ? 51  HIS   B CA  1 
ATOM   662  C C   . HIS   B 2 42  ? -14.007 6.650   -8.921  1.00 48.67  ? 51  HIS   B C   1 
ATOM   663  O O   . HIS   B 2 42  ? -13.544 7.758   -8.805  1.00 52.49  ? 51  HIS   B O   1 
ATOM   664  C CB  . HIS   B 2 42  ? -12.090 5.018   -8.649  1.00 52.47  ? 51  HIS   B CB  1 
ATOM   665  C CG  . HIS   B 2 42  ? -12.177 4.747   -10.106 1.00 50.14  ? 51  HIS   B CG  1 
ATOM   666  N ND1 . HIS   B 2 42  ? -12.520 3.503   -10.602 1.00 54.04  ? 51  HIS   B ND1 1 
ATOM   667  C CD2 . HIS   B 2 42  ? -11.902 5.531   -11.176 1.00 54.53  ? 51  HIS   B CD2 1 
ATOM   668  C CE1 . HIS   B 2 42  ? -12.473 3.538   -11.922 1.00 55.91  ? 51  HIS   B CE1 1 
ATOM   669  N NE2 . HIS   B 2 42  ? -12.097 4.777   -12.293 1.00 51.27  ? 51  HIS   B NE2 1 
ATOM   670  N N   . VAL   B 2 43  ? -15.047 6.377   -9.704  1.00 53.15  ? 52  VAL   B N   1 
ATOM   671  C CA  . VAL   B 2 43  ? -15.745 7.425   -10.507 1.00 52.97  ? 52  VAL   B CA  1 
ATOM   672  C C   . VAL   B 2 43  ? -16.466 8.398   -9.564  1.00 54.23  ? 52  VAL   B C   1 
ATOM   673  O O   . VAL   B 2 43  ? -16.103 9.597   -9.594  1.00 53.34  ? 52  VAL   B O   1 
ATOM   674  C CB  . VAL   B 2 43  ? -16.680 6.786   -11.539 1.00 55.94  ? 52  VAL   B CB  1 
ATOM   675  C CG1 . VAL   B 2 43  ? -17.682 7.790   -12.083 1.00 61.48  ? 52  VAL   B CG1 1 
ATOM   676  C CG2 . VAL   B 2 43  ? -15.878 6.143   -12.663 1.00 60.15  ? 52  VAL   B CG2 1 
ATOM   677  N N   . THR   B 2 44  ? -17.376 7.916   -8.697  1.00 50.53  ? 53  THR   B N   1 
ATOM   678  C CA  . THR   B 2 44  ? -18.233 8.783   -7.822  1.00 47.28  ? 53  THR   B CA  1 
ATOM   679  C C   . THR   B 2 44  ? -17.683 8.948   -6.396  1.00 50.48  ? 53  THR   B C   1 
ATOM   680  O O   . THR   B 2 44  ? -18.115 9.903   -5.730  1.00 47.34  ? 53  THR   B O   1 
ATOM   681  C CB  . THR   B 2 44  ? -19.672 8.258   -7.775  1.00 45.56  ? 53  THR   B CB  1 
ATOM   682  O OG1 . THR   B 2 44  ? -19.664 7.020   -7.065  1.00 48.89  ? 53  THR   B OG1 1 
ATOM   683  C CG2 . THR   B 2 44  ? -20.262 8.066   -9.154  1.00 47.69  ? 53  THR   B CG2 1 
ATOM   684  N N   . LYS   B 2 45  ? -16.780 8.072   -5.938  1.00 52.73  ? 54  LYS   B N   1 
ATOM   685  C CA  . LYS   B 2 45  ? -16.317 7.950   -4.518  1.00 58.40  ? 54  LYS   B CA  1 
ATOM   686  C C   . LYS   B 2 45  ? -17.501 7.781   -3.548  1.00 57.94  ? 54  LYS   B C   1 
ATOM   687  O O   . LYS   B 2 45  ? -17.337 8.151   -2.369  1.00 58.54  ? 54  LYS   B O   1 
ATOM   688  C CB  . LYS   B 2 45  ? -15.520 9.165   -4.025  1.00 64.80  ? 54  LYS   B CB  1 
ATOM   689  C CG  . LYS   B 2 45  ? -14.468 9.715   -4.969  1.00 71.29  ? 54  LYS   B CG  1 
ATOM   690  C CD  . LYS   B 2 45  ? -13.206 8.902   -4.998  1.00 76.84  ? 54  LYS   B CD  1 
ATOM   691  C CE  . LYS   B 2 45  ? -12.170 9.483   -5.943  1.00 83.85  ? 54  LYS   B CE  1 
ATOM   692  N NZ  . LYS   B 2 45  ? -11.619 8.457   -6.870  1.00 83.80  ? 54  LYS   B NZ  1 
ATOM   693  N N   . GLY   B 2 46  ? -18.633 7.230   -4.003  1.00 55.48  ? 55  GLY   B N   1 
ATOM   694  C CA  . GLY   B 2 46  ? -19.812 6.981   -3.155  1.00 57.72  ? 55  GLY   B CA  1 
ATOM   695  C C   . GLY   B 2 46  ? -20.784 8.149   -3.142  1.00 61.78  ? 55  GLY   B C   1 
ATOM   696  O O   . GLY   B 2 46  ? -21.867 8.006   -2.566  1.00 67.16  ? 55  GLY   B O   1 
ATOM   697  N N   . ALA   B 2 47  ? -20.446 9.249   -3.810  1.00 62.86  ? 56  ALA   B N   1 
ATOM   698  C CA  . ALA   B 2 47  ? -21.204 10.516  -3.773  1.00 57.65  ? 56  ALA   B CA  1 
ATOM   699  C C   . ALA   B 2 47  ? -22.577 10.302  -4.398  1.00 56.23  ? 56  ALA   B C   1 
ATOM   700  O O   . ALA   B 2 47  ? -22.677 9.483   -5.321  1.00 55.38  ? 56  ALA   B O   1 
ATOM   701  C CB  . ALA   B 2 47  ? -20.430 11.591  -4.501  1.00 54.04  ? 56  ALA   B CB  1 
ATOM   702  N N   . ALA   B 2 48  ? -23.573 11.077  -3.966  1.00 57.18  ? 57  ALA   B N   1 
ATOM   703  C CA  . ALA   B 2 48  ? -24.900 11.137  -4.615  1.00 51.73  ? 57  ALA   B CA  1 
ATOM   704  C C   . ALA   B 2 48  ? -24.761 11.731  -6.025  1.00 50.16  ? 57  ALA   B C   1 
ATOM   705  O O   . ALA   B 2 48  ? -23.783 12.463  -6.280  1.00 58.20  ? 57  ALA   B O   1 
ATOM   706  C CB  . ALA   B 2 48  ? -25.855 11.916  -3.741  1.00 59.67  ? 57  ALA   B CB  1 
ATOM   707  N N   . LEU   B 2 49  ? -25.711 11.395  -6.898  1.00 45.66  ? 58  LEU   B N   1 
ATOM   708  C CA  . LEU   B 2 49  ? -25.847 11.819  -8.311  1.00 54.59  ? 58  LEU   B CA  1 
ATOM   709  C C   . LEU   B 2 49  ? -27.215 12.495  -8.521  1.00 61.12  ? 58  LEU   B C   1 
ATOM   710  O O   . LEU   B 2 49  ? -28.168 12.139  -7.803  1.00 60.95  ? 58  LEU   B O   1 
ATOM   711  C CB  . LEU   B 2 49  ? -25.779 10.568  -9.198  1.00 52.79  ? 58  LEU   B CB  1 
ATOM   712  C CG  . LEU   B 2 49  ? -24.547 9.687   -9.036  1.00 52.40  ? 58  LEU   B CG  1 
ATOM   713  C CD1 . LEU   B 2 49  ? -24.685 8.442   -9.889  1.00 53.23  ? 58  LEU   B CD1 1 
ATOM   714  C CD2 . LEU   B 2 49  ? -23.284 10.449  -9.403  1.00 53.87  ? 58  LEU   B CD2 1 
ATOM   715  N N   . ARG   B 2 50  ? -27.312 13.348  -9.541  1.00 59.19  ? 59  ARG   B N   1 
ATOM   716  C CA  . ARG   B 2 50  ? -28.531 14.074  -9.968  1.00 61.09  ? 59  ARG   B CA  1 
ATOM   717  C C   . ARG   B 2 50  ? -28.905 13.587  -11.366 1.00 58.28  ? 59  ARG   B C   1 
ATOM   718  O O   . ARG   B 2 50  ? -27.993 13.362  -12.158 1.00 64.65  ? 59  ARG   B O   1 
ATOM   719  C CB  . ARG   B 2 50  ? -28.223 15.571  -9.874  1.00 71.89  ? 59  ARG   B CB  1 
ATOM   720  C CG  . ARG   B 2 50  ? -29.028 16.464  -10.805 1.00 84.78  ? 59  ARG   B CG  1 
ATOM   721  C CD  . ARG   B 2 50  ? -28.875 17.943  -10.462 1.00 89.11  ? 59  ARG   B CD  1 
ATOM   722  N NE  . ARG   B 2 50  ? -27.501 18.445  -10.467 1.00 88.48  ? 59  ARG   B NE  1 
ATOM   723  C CZ  . ARG   B 2 50  ? -26.804 18.805  -11.549 1.00 95.29  ? 59  ARG   B CZ  1 
ATOM   724  N NH1 . ARG   B 2 50  ? -27.325 18.701  -12.762 1.00 97.33  ? 59  ARG   B NH1 1 
ATOM   725  N NH2 . ARG   B 2 50  ? -25.568 19.259  -11.416 1.00 101.49 ? 59  ARG   B NH2 1 
ATOM   726  N N   . SER   B 2 51  ? -30.194 13.388  -11.647 1.00 63.21  ? 60  SER   B N   1 
ATOM   727  C CA  . SER   B 2 51  ? -30.736 13.024  -12.984 1.00 64.57  ? 60  SER   B CA  1 
ATOM   728  C C   . SER   B 2 51  ? -31.989 13.858  -13.303 1.00 76.01  ? 60  SER   B C   1 
ATOM   729  O O   . SER   B 2 51  ? -33.102 13.471  -12.896 1.00 81.13  ? 60  SER   B O   1 
ATOM   730  C CB  . SER   B 2 51  ? -31.047 11.563  -13.043 1.00 67.86  ? 60  SER   B CB  1 
ATOM   731  O OG  . SER   B 2 51  ? -31.693 11.260  -14.263 1.00 73.25  ? 60  SER   B OG  1 
ATOM   732  N N   . GLY   B 2 52  ? -31.837 14.952  -14.044 1.00 84.29  ? 61  GLY   B N   1 
ATOM   733  C CA  . GLY   B 2 52  ? -32.852 16.017  -14.079 1.00 88.90  ? 61  GLY   B CA  1 
ATOM   734  C C   . GLY   B 2 52  ? -32.941 16.654  -12.705 1.00 93.74  ? 61  GLY   B C   1 
ATOM   735  O O   . GLY   B 2 52  ? -31.890 17.126  -12.205 1.00 85.10  ? 61  GLY   B O   1 
ATOM   736  N N   . GLU   B 2 53  ? -34.123 16.622  -12.083 1.00 99.44  ? 62  GLU   B N   1 
ATOM   737  C CA  . GLU   B 2 53  ? -34.306 17.042  -10.668 1.00 103.03 ? 62  GLU   B CA  1 
ATOM   738  C C   . GLU   B 2 53  ? -34.169 15.830  -9.744  1.00 93.60  ? 62  GLU   B C   1 
ATOM   739  O O   . GLU   B 2 53  ? -33.912 16.051  -8.543  1.00 92.95  ? 62  GLU   B O   1 
ATOM   740  C CB  . GLU   B 2 53  ? -35.646 17.744  -10.470 1.00 109.72 ? 62  GLU   B CB  1 
ATOM   741  C CG  . GLU   B 2 53  ? -35.502 19.246  -10.351 1.00 121.21 ? 62  GLU   B CG  1 
ATOM   742  C CD  . GLU   B 2 53  ? -36.793 19.955  -9.987  1.00 136.81 ? 62  GLU   B CD  1 
ATOM   743  O OE1 . GLU   B 2 53  ? -37.864 19.500  -10.445 1.00 145.60 ? 62  GLU   B OE1 1 
ATOM   744  O OE2 . GLU   B 2 53  ? -36.725 20.949  -9.234  1.00 149.84 ? 62  GLU   B OE2 1 
ATOM   745  N N   . GLY   B 2 54  ? -34.339 14.617  -10.283 1.00 82.96  ? 63  GLY   B N   1 
ATOM   746  C CA  . GLY   B 2 54  ? -34.114 13.345  -9.569  1.00 75.97  ? 63  GLY   B CA  1 
ATOM   747  C C   . GLY   B 2 54  ? -32.784 13.360  -8.829  1.00 72.25  ? 63  GLY   B C   1 
ATOM   748  O O   . GLY   B 2 54  ? -31.835 14.001  -9.319  1.00 70.32  ? 63  GLY   B O   1 
ATOM   749  N N   . ARG   B 2 55  ? -32.741 12.736  -7.654  1.00 60.55  ? 64  ARG   B N   1 
ATOM   750  C CA  . ARG   B 2 55  ? -31.504 12.454  -6.889  1.00 59.85  ? 64  ARG   B CA  1 
ATOM   751  C C   . ARG   B 2 55  ? -31.313 10.934  -6.882  1.00 66.18  ? 64  ARG   B C   1 
ATOM   752  O O   . ARG   B 2 55  ? -32.315 10.231  -6.672  1.00 65.44  ? 64  ARG   B O   1 
ATOM   753  C CB  . ARG   B 2 55  ? -31.628 12.960  -5.455  1.00 60.85  ? 64  ARG   B CB  1 
ATOM   754  C CG  . ARG   B 2 55  ? -30.335 12.944  -4.656  1.00 64.55  ? 64  ARG   B CG  1 
ATOM   755  C CD  . ARG   B 2 55  ? -30.639 13.179  -3.190  1.00 72.73  ? 64  ARG   B CD  1 
ATOM   756  N NE  . ARG   B 2 55  ? -29.469 12.935  -2.354  1.00 80.58  ? 64  ARG   B NE  1 
ATOM   757  C CZ  . ARG   B 2 55  ? -28.751 13.858  -1.705  1.00 89.63  ? 64  ARG   B CZ  1 
ATOM   758  N NH1 . ARG   B 2 55  ? -29.073 15.142  -1.760  1.00 98.12  ? 64  ARG   B NH1 1 
ATOM   759  N NH2 . ARG   B 2 55  ? -27.707 13.484  -0.982  1.00 89.43  ? 64  ARG   B NH2 1 
ATOM   760  N N   . LEU   B 2 56  ? -30.097 10.445  -7.133  1.00 60.19  ? 65  LEU   B N   1 
ATOM   761  C CA  . LEU   B 2 56  ? -29.742 9.016   -6.956  1.00 57.32  ? 65  LEU   B CA  1 
ATOM   762  C C   . LEU   B 2 56  ? -28.862 8.907   -5.710  1.00 57.93  ? 65  LEU   B C   1 
ATOM   763  O O   . LEU   B 2 56  ? -27.806 9.632   -5.629  1.00 57.85  ? 65  LEU   B O   1 
ATOM   764  C CB  . LEU   B 2 56  ? -29.005 8.492   -8.194  1.00 59.26  ? 65  LEU   B CB  1 
ATOM   765  C CG  . LEU   B 2 56  ? -29.605 8.831   -9.553  1.00 66.73  ? 65  LEU   B CG  1 
ATOM   766  C CD1 . LEU   B 2 56  ? -29.018 7.916   -10.615 1.00 69.60  ? 65  LEU   B CD1 1 
ATOM   767  C CD2 . LEU   B 2 56  ? -31.116 8.705   -9.535  1.00 76.80  ? 65  LEU   B CD2 1 
ATOM   768  N N   . ASP   B 2 57  ? -29.252 8.040   -4.774  1.00 52.11  ? 66  ASP   B N   1 
ATOM   769  C CA  . ASP   B 2 57  ? -28.464 7.785   -3.544  1.00 59.84  ? 66  ASP   B CA  1 
ATOM   770  C C   . ASP   B 2 57  ? -27.778 6.425   -3.628  1.00 54.70  ? 66  ASP   B C   1 
ATOM   771  O O   . ASP   B 2 57  ? -28.374 5.444   -4.079  1.00 50.90  ? 66  ASP   B O   1 
ATOM   772  C CB  . ASP   B 2 57  ? -29.353 7.898   -2.311  1.00 70.29  ? 66  ASP   B CB  1 
ATOM   773  C CG  . ASP   B 2 57  ? -29.669 9.346   -1.993  1.00 75.74  ? 66  ASP   B CG  1 
ATOM   774  O OD1 . ASP   B 2 57  ? -28.744 10.175  -2.083  1.00 75.74  ? 66  ASP   B OD1 1 
ATOM   775  O OD2 . ASP   B 2 57  ? -30.829 9.630   -1.692  1.00 82.01  ? 66  ASP   B OD2 1 
ATOM   776  N N   . PRO   B 2 58  ? -26.525 6.324   -3.137  1.00 49.67  ? 67  PRO   B N   1 
ATOM   777  C CA  . PRO   B 2 58  ? -25.796 5.062   -3.160  1.00 49.50  ? 67  PRO   B CA  1 
ATOM   778  C C   . PRO   B 2 58  ? -26.564 4.072   -2.274  1.00 53.30  ? 67  PRO   B C   1 
ATOM   779  O O   . PRO   B 2 58  ? -27.192 4.490   -1.303  1.00 51.70  ? 67  PRO   B O   1 
ATOM   780  C CB  . PRO   B 2 58  ? -24.399 5.441   -2.633  1.00 47.37  ? 67  PRO   B CB  1 
ATOM   781  C CG  . PRO   B 2 58  ? -24.667 6.640   -1.747  1.00 46.84  ? 67  PRO   B CG  1 
ATOM   782  C CD  . PRO   B 2 58  ? -25.778 7.390   -2.445  1.00 49.01  ? 67  PRO   B CD  1 
ATOM   783  N N   . TYR   B 2 59  ? -26.564 2.802   -2.669  1.00 53.35  ? 68  TYR   B N   1 
ATOM   784  C CA  . TYR   B 2 59  ? -27.260 1.691   -1.970  1.00 47.83  ? 68  TYR   B CA  1 
ATOM   785  C C   . TYR   B 2 59  ? -26.221 0.638   -1.553  1.00 48.03  ? 68  TYR   B C   1 
ATOM   786  O O   . TYR   B 2 59  ? -26.295 0.134   -0.456  1.00 43.25  ? 68  TYR   B O   1 
ATOM   787  C CB  . TYR   B 2 59  ? -28.388 1.168   -2.858  1.00 48.76  ? 68  TYR   B CB  1 
ATOM   788  C CG  . TYR   B 2 59  ? -29.199 0.024   -2.293  1.00 49.52  ? 68  TYR   B CG  1 
ATOM   789  C CD1 . TYR   B 2 59  ? -28.652 -1.248  -2.178  1.00 47.52  ? 68  TYR   B CD1 1 
ATOM   790  C CD2 . TYR   B 2 59  ? -30.523 0.193   -1.907  1.00 45.96  ? 68  TYR   B CD2 1 
ATOM   791  C CE1 . TYR   B 2 59  ? -29.391 -2.316  -1.692  1.00 49.20  ? 68  TYR   B CE1 1 
ATOM   792  C CE2 . TYR   B 2 59  ? -31.275 -0.868  -1.412  1.00 46.95  ? 68  TYR   B CE2 1 
ATOM   793  C CZ  . TYR   B 2 59  ? -30.706 -2.131  -1.300  1.00 51.75  ? 68  TYR   B CZ  1 
ATOM   794  O OH  . TYR   B 2 59  ? -31.417 -3.204  -0.808  1.00 52.95  ? 68  TYR   B OH  1 
ATOM   795  N N   . TRP   B 2 60  ? -25.285 0.286   -2.428  1.00 47.16  ? 69  TRP   B N   1 
ATOM   796  C CA  . TRP   B 2 60  ? -24.240 -0.735  -2.158  1.00 42.89  ? 69  TRP   B CA  1 
ATOM   797  C C   . TRP   B 2 60  ? -22.938 -0.263  -2.794  1.00 44.28  ? 69  TRP   B C   1 
ATOM   798  O O   . TRP   B 2 60  ? -22.998 0.291   -3.917  1.00 43.59  ? 69  TRP   B O   1 
ATOM   799  C CB  . TRP   B 2 60  ? -24.651 -2.117  -2.679  1.00 41.62  ? 69  TRP   B CB  1 
ATOM   800  C CG  . TRP   B 2 60  ? -23.524 -3.095  -2.592  1.00 46.30  ? 69  TRP   B CG  1 
ATOM   801  C CD1 . TRP   B 2 60  ? -23.141 -3.830  -1.505  1.00 46.38  ? 69  TRP   B CD1 1 
ATOM   802  C CD2 . TRP   B 2 60  ? -22.574 -3.391  -3.636  1.00 47.22  ? 69  TRP   B CD2 1 
ATOM   803  N NE1 . TRP   B 2 60  ? -22.000 -4.536  -1.793  1.00 49.76  ? 69  TRP   B NE1 1 
ATOM   804  C CE2 . TRP   B 2 60  ? -21.642 -4.305  -3.099  1.00 46.96  ? 69  TRP   B CE2 1 
ATOM   805  C CE3 . TRP   B 2 60  ? -22.411 -2.953  -4.956  1.00 45.05  ? 69  TRP   B CE3 1 
ATOM   806  C CZ2 . TRP   B 2 60  ? -20.577 -4.803  -3.849  1.00 44.87  ? 69  TRP   B CZ2 1 
ATOM   807  C CZ3 . TRP   B 2 60  ? -21.378 -3.465  -5.702  1.00 45.36  ? 69  TRP   B CZ3 1 
ATOM   808  C CH2 . TRP   B 2 60  ? -20.477 -4.381  -5.158  1.00 48.23  ? 69  TRP   B CH2 1 
ATOM   809  N N   . GLY   B 2 61  ? -21.816 -0.484  -2.108  1.00 43.06  ? 70  GLY   B N   1 
ATOM   810  C CA  . GLY   B 2 61  ? -20.480 -0.343  -2.710  1.00 42.20  ? 70  GLY   B CA  1 
ATOM   811  C C   . GLY   B 2 61  ? -19.416 -1.105  -1.947  1.00 41.86  ? 70  GLY   B C   1 
ATOM   812  O O   . GLY   B 2 61  ? -19.637 -1.428  -0.756  1.00 38.45  ? 70  GLY   B O   1 
ATOM   813  N N   . ASP   B 2 62  ? -18.289 -1.335  -2.610  1.00 40.28  ? 71  ASP   B N   1 
ATOM   814  C CA  . ASP   B 2 62  ? -17.099 -2.055  -2.090  1.00 42.54  ? 71  ASP   B CA  1 
ATOM   815  C C   . ASP   B 2 62  ? -15.869 -1.495  -2.817  1.00 43.64  ? 71  ASP   B C   1 
ATOM   816  O O   . ASP   B 2 62  ? -15.736 -1.757  -4.019  1.00 51.40  ? 71  ASP   B O   1 
ATOM   817  C CB  . ASP   B 2 62  ? -17.247 -3.556  -2.315  1.00 48.81  ? 71  ASP   B CB  1 
ATOM   818  C CG  . ASP   B 2 62  ? -16.157 -4.369  -1.647  1.00 52.63  ? 71  ASP   B CG  1 
ATOM   819  O OD1 . ASP   B 2 62  ? -15.064 -4.436  -2.197  1.00 67.74  ? 71  ASP   B OD1 1 
ATOM   820  O OD2 . ASP   B 2 62  ? -16.406 -4.877  -0.553  1.00 66.54  ? 71  ASP   B OD2 1 
ATOM   821  N N   . VAL   B 2 63  ? -15.038 -0.731  -2.121  1.00 40.73  ? 72  VAL   B N   1 
ATOM   822  C CA  . VAL   B 2 63  ? -13.795 -0.118  -2.666  1.00 43.40  ? 72  VAL   B CA  1 
ATOM   823  C C   . VAL   B 2 63  ? -12.943 -1.217  -3.299  1.00 51.43  ? 72  VAL   B C   1 
ATOM   824  O O   . VAL   B 2 63  ? -12.261 -0.907  -4.305  1.00 53.65  ? 72  VAL   B O   1 
ATOM   825  C CB  . VAL   B 2 63  ? -13.015 0.649   -1.574  1.00 41.73  ? 72  VAL   B CB  1 
ATOM   826  C CG1 . VAL   B 2 63  ? -11.554 0.822   -1.919  1.00 43.78  ? 72  VAL   B CG1 1 
ATOM   827  C CG2 . VAL   B 2 63  ? -13.622 2.019   -1.329  1.00 45.31  ? 72  VAL   B CG2 1 
ATOM   828  N N   . LYS   B 2 64  ? -12.976 -2.447  -2.757  1.00 50.89  ? 73  LYS   B N   1 
ATOM   829  C CA  . LYS   B 2 64  ? -12.054 -3.515  -3.217  1.00 50.85  ? 73  LYS   B CA  1 
ATOM   830  C C   . LYS   B 2 64  ? -12.509 -4.041  -4.581  1.00 47.41  ? 73  LYS   B C   1 
ATOM   831  O O   . LYS   B 2 64  ? -11.630 -4.239  -5.456  1.00 46.99  ? 73  LYS   B O   1 
ATOM   832  C CB  . LYS   B 2 64  ? -11.900 -4.655  -2.209  1.00 51.99  ? 73  LYS   B CB  1 
ATOM   833  C CG  . LYS   B 2 64  ? -10.777 -5.592  -2.634  1.00 54.75  ? 73  LYS   B CG  1 
ATOM   834  C CD  . LYS   B 2 64  ? -10.407 -6.666  -1.672  1.00 55.22  ? 73  LYS   B CD  1 
ATOM   835  C CE  . LYS   B 2 64  ? -9.194  -7.410  -2.182  1.00 62.89  ? 73  LYS   B CE  1 
ATOM   836  N NZ  . LYS   B 2 64  ? -8.696  -8.377  -1.181  1.00 67.86  ? 73  LYS   B NZ  1 
ATOM   837  N N   . GLN   B 2 65  ? -13.814 -4.298  -4.757  1.00 47.27  ? 74  GLN   B N   1 
ATOM   838  C CA  . GLN   B 2 65  ? -14.394 -4.659  -6.075  1.00 45.64  ? 74  GLN   B CA  1 
ATOM   839  C C   . GLN   B 2 65  ? -14.365 -3.439  -7.012  1.00 47.18  ? 74  GLN   B C   1 
ATOM   840  O O   . GLN   B 2 65  ? -14.437 -3.652  -8.228  1.00 44.37  ? 74  GLN   B O   1 
ATOM   841  C CB  . GLN   B 2 65  ? -15.814 -5.203  -5.944  1.00 48.72  ? 74  GLN   B CB  1 
ATOM   842  C CG  . GLN   B 2 65  ? -15.948 -6.375  -4.985  1.00 46.31  ? 74  GLN   B CG  1 
ATOM   843  C CD  . GLN   B 2 65  ? -17.372 -6.885  -4.934  1.00 55.12  ? 74  GLN   B CD  1 
ATOM   844  O OE1 . GLN   B 2 65  ? -18.016 -7.115  -5.958  1.00 62.41  ? 74  GLN   B OE1 1 
ATOM   845  N NE2 . GLN   B 2 65  ? -17.891 -7.075  -3.731  1.00 56.44  ? 74  GLN   B NE2 1 
ATOM   846  N N   . ASP   B 2 66  ? -14.197 -2.232  -6.457  1.00 44.64  ? 75  ASP   B N   1 
ATOM   847  C CA  . ASP   B 2 66  ? -14.262 -0.897  -7.126  1.00 44.78  ? 75  ASP   B CA  1 
ATOM   848  C C   . ASP   B 2 66  ? -15.599 -0.721  -7.837  1.00 43.67  ? 75  ASP   B C   1 
ATOM   849  O O   . ASP   B 2 66  ? -15.560 -0.212  -9.011  1.00 38.50  ? 75  ASP   B O   1 
ATOM   850  C CB  . ASP   B 2 66  ? -13.145 -0.687  -8.147  1.00 44.31  ? 75  ASP   B CB  1 
ATOM   851  C CG  . ASP   B 2 66  ? -13.060 0.743   -8.640  1.00 45.04  ? 75  ASP   B CG  1 
ATOM   852  O OD1 . ASP   B 2 66  ? -13.456 1.674   -7.903  1.00 42.93  ? 75  ASP   B OD1 1 
ATOM   853  O OD2 . ASP   B 2 66  ? -12.592 0.916   -9.756  1.00 51.87  ? 75  ASP   B OD2 1 
ATOM   854  N N   . LEU   B 2 67  ? -16.699 -1.161  -7.189  1.00 43.04  ? 76  LEU   B N   1 
ATOM   855  C CA  . LEU   B 2 67  ? -18.094 -1.101  -7.718  1.00 41.89  ? 76  LEU   B CA  1 
ATOM   856  C C   . LEU   B 2 67  ? -19.029 -0.344  -6.759  1.00 45.24  ? 76  LEU   B C   1 
ATOM   857  O O   . LEU   B 2 67  ? -18.726 -0.275  -5.555  1.00 47.45  ? 76  LEU   B O   1 
ATOM   858  C CB  . LEU   B 2 67  ? -18.583 -2.523  -7.983  1.00 45.86  ? 76  LEU   B CB  1 
ATOM   859  C CG  . LEU   B 2 67  ? -17.840 -3.239  -9.120  1.00 43.28  ? 76  LEU   B CG  1 
ATOM   860  C CD1 . LEU   B 2 67  ? -18.410 -4.640  -9.318  1.00 44.49  ? 76  LEU   B CD1 1 
ATOM   861  C CD2 . LEU   B 2 67  ? -17.924 -2.423  -10.410 1.00 42.30  ? 76  LEU   B CD2 1 
ATOM   862  N N   . VAL   B 2 68  ? -20.102 0.244   -7.293  1.00 42.83  ? 77  VAL   B N   1 
ATOM   863  C CA  . VAL   B 2 68  ? -21.148 0.968   -6.496  1.00 45.00  ? 77  VAL   B CA  1 
ATOM   864  C C   . VAL   B 2 68  ? -22.467 0.957   -7.271  1.00 42.35  ? 77  VAL   B C   1 
ATOM   865  O O   . VAL   B 2 68  ? -22.442 1.171   -8.503  1.00 40.66  ? 77  VAL   B O   1 
ATOM   866  C CB  . VAL   B 2 68  ? -20.709 2.401   -6.147  1.00 49.38  ? 77  VAL   B CB  1 
ATOM   867  C CG1 . VAL   B 2 68  ? -20.365 3.208   -7.390  1.00 50.52  ? 77  VAL   B CG1 1 
ATOM   868  C CG2 . VAL   B 2 68  ? -21.752 3.126   -5.292  1.00 50.94  ? 77  VAL   B CG2 1 
ATOM   869  N N   . SER   B 2 69  ? -23.564 0.631   -6.592  1.00 36.36  ? 78  SER   B N   1 
ATOM   870  C CA  . SER   B 2 69  ? -24.925 0.712   -7.164  1.00 34.47  ? 78  SER   B CA  1 
ATOM   871  C C   . SER   B 2 69  ? -25.722 1.817   -6.447  1.00 38.01  ? 78  SER   B C   1 
ATOM   872  O O   . SER   B 2 69  ? -25.446 2.092   -5.230  1.00 37.38  ? 78  SER   B O   1 
ATOM   873  C CB  . SER   B 2 69  ? -25.638 -0.627  -7.123  1.00 37.34  ? 78  SER   B CB  1 
ATOM   874  O OG  . SER   B 2 69  ? -25.999 -0.983  -5.790  1.00 41.98  ? 78  SER   B OG  1 
ATOM   875  N N   . TYR   B 2 70  ? -26.706 2.392   -7.161  1.00 46.13  ? 79  TYR   B N   1 
ATOM   876  C CA  . TYR   B 2 70  ? -27.583 3.519   -6.735  1.00 40.88  ? 79  TYR   B CA  1 
ATOM   877  C C   . TYR   B 2 70  ? -29.053 3.102   -6.897  1.00 46.82  ? 79  TYR   B C   1 
ATOM   878  O O   . TYR   B 2 70  ? -29.410 2.621   -7.981  1.00 45.23  ? 79  TYR   B O   1 
ATOM   879  C CB  . TYR   B 2 70  ? -27.289 4.747   -7.600  1.00 42.22  ? 79  TYR   B CB  1 
ATOM   880  C CG  . TYR   B 2 70  ? -25.967 5.417   -7.313  1.00 42.60  ? 79  TYR   B CG  1 
ATOM   881  C CD1 . TYR   B 2 70  ? -24.790 4.894   -7.815  1.00 46.46  ? 79  TYR   B CD1 1 
ATOM   882  C CD2 . TYR   B 2 70  ? -25.881 6.576   -6.560  1.00 46.86  ? 79  TYR   B CD2 1 
ATOM   883  C CE1 . TYR   B 2 70  ? -23.557 5.461   -7.524  1.00 43.18  ? 79  TYR   B CE1 1 
ATOM   884  C CE2 . TYR   B 2 70  ? -24.660 7.177   -6.277  1.00 44.27  ? 79  TYR   B CE2 1 
ATOM   885  C CZ  . TYR   B 2 70  ? -23.494 6.615   -6.770  1.00 45.95  ? 79  TYR   B CZ  1 
ATOM   886  O OH  . TYR   B 2 70  ? -22.266 7.159   -6.538  1.00 49.95  ? 79  TYR   B OH  1 
ATOM   887  N N   . CYS   B 2 71  ? -29.887 3.302   -5.869  1.00 50.08  ? 80  CYS   B N   1 
ATOM   888  C CA  . CYS   B 2 71  ? -31.371 3.138   -5.904  1.00 47.84  ? 80  CYS   B CA  1 
ATOM   889  C C   . CYS   B 2 71  ? -31.757 1.680   -5.658  1.00 52.21  ? 80  CYS   B C   1 
ATOM   890  O O   . CYS   B 2 71  ? -32.955 1.378   -5.576  1.00 52.70  ? 80  CYS   B O   1 
ATOM   891  C CB  . CYS   B 2 71  ? -31.979 3.568   -7.234  1.00 57.75  ? 80  CYS   B CB  1 
ATOM   892  S SG  . CYS   B 2 71  ? -31.553 5.256   -7.737  1.00 62.33  ? 80  CYS   B SG  1 
ATOM   893  N N   . GLY   B 2 72  ? -30.774 0.792   -5.561  1.00 50.65  ? 81  GLY   B N   1 
ATOM   894  C CA  . GLY   B 2 72  ? -31.031 -0.648  -5.449  1.00 44.34  ? 81  GLY   B CA  1 
ATOM   895  C C   . GLY   B 2 72  ? -29.744 -1.448  -5.452  1.00 45.61  ? 81  GLY   B C   1 
ATOM   896  O O   . GLY   B 2 72  ? -28.656 -0.903  -5.646  1.00 46.11  ? 81  GLY   B O   1 
ATOM   897  N N   . PRO   B 2 73  ? -29.866 -2.760  -5.167  1.00 47.42  ? 82  PRO   B N   1 
ATOM   898  C CA  . PRO   B 2 73  ? -28.732 -3.686  -5.201  1.00 48.14  ? 82  PRO   B CA  1 
ATOM   899  C C   . PRO   B 2 73  ? -28.235 -3.957  -6.628  1.00 45.45  ? 82  PRO   B C   1 
ATOM   900  O O   . PRO   B 2 73  ? -29.016 -3.896  -7.546  1.00 48.27  ? 82  PRO   B O   1 
ATOM   901  C CB  . PRO   B 2 73  ? -29.312 -4.985  -4.630  1.00 46.51  ? 82  PRO   B CB  1 
ATOM   902  C CG  . PRO   B 2 73  ? -30.778 -4.899  -4.939  1.00 47.11  ? 82  PRO   B CG  1 
ATOM   903  C CD  . PRO   B 2 73  ? -31.130 -3.425  -4.833  1.00 45.69  ? 82  PRO   B CD  1 
ATOM   904  N N   . TRP   B 2 74  ? -26.946 -4.232  -6.762  1.00 48.10  ? 83  TRP   B N   1 
ATOM   905  C CA  . TRP   B 2 74  ? -26.307 -4.690  -8.020  1.00 47.43  ? 83  TRP   B CA  1 
ATOM   906  C C   . TRP   B 2 74  ? -27.184 -5.714  -8.750  1.00 52.78  ? 83  TRP   B C   1 
ATOM   907  O O   . TRP   B 2 74  ? -27.509 -6.729  -8.131  1.00 49.39  ? 83  TRP   B O   1 
ATOM   908  C CB  . TRP   B 2 74  ? -24.943 -5.294  -7.720  1.00 47.10  ? 83  TRP   B CB  1 
ATOM   909  C CG  . TRP   B 2 74  ? -24.151 -5.437  -8.969  1.00 42.48  ? 83  TRP   B CG  1 
ATOM   910  C CD1 . TRP   B 2 74  ? -24.105 -6.512  -9.806  1.00 44.66  ? 83  TRP   B CD1 1 
ATOM   911  C CD2 . TRP   B 2 74  ? -23.315 -4.427  -9.538  1.00 41.81  ? 83  TRP   B CD2 1 
ATOM   912  N NE1 . TRP   B 2 74  ? -23.269 -6.245  -10.851 1.00 41.64  ? 83  TRP   B NE1 1 
ATOM   913  C CE2 . TRP   B 2 74  ? -22.764 -4.978  -10.711 1.00 39.99  ? 83  TRP   B CE2 1 
ATOM   914  C CE3 . TRP   B 2 74  ? -22.955 -3.129  -9.147  1.00 40.34  ? 83  TRP   B CE3 1 
ATOM   915  C CZ2 . TRP   B 2 74  ? -21.893 -4.257  -11.527 1.00 42.70  ? 83  TRP   B CZ2 1 
ATOM   916  C CZ3 . TRP   B 2 74  ? -22.115 -2.407  -9.963  1.00 43.14  ? 83  TRP   B CZ3 1 
ATOM   917  C CH2 . TRP   B 2 74  ? -21.566 -2.979  -11.126 1.00 43.60  ? 83  TRP   B CH2 1 
ATOM   918  N N   . LYS   B 2 75  ? -27.467 -5.462  -10.040 1.00 56.82  ? 84  LYS   B N   1 
ATOM   919  C CA  . LYS   B 2 75  ? -28.461 -6.182  -10.876 1.00 53.95  ? 84  LYS   B CA  1 
ATOM   920  C C   . LYS   B 2 75  ? -27.801 -7.036  -11.975 1.00 53.26  ? 84  LYS   B C   1 
ATOM   921  O O   . LYS   B 2 75  ? -28.489 -7.918  -12.481 1.00 56.88  ? 84  LYS   B O   1 
ATOM   922  C CB  . LYS   B 2 75  ? -29.373 -5.154  -11.550 1.00 60.27  ? 84  LYS   B CB  1 
ATOM   923  C CG  . LYS   B 2 75  ? -30.267 -4.362  -10.612 1.00 60.88  ? 84  LYS   B CG  1 
ATOM   924  C CD  . LYS   B 2 75  ? -31.339 -5.216  -9.970  1.00 61.11  ? 84  LYS   B CD  1 
ATOM   925  C CE  . LYS   B 2 75  ? -32.074 -4.482  -8.872  1.00 61.38  ? 84  LYS   B CE  1 
ATOM   926  N NZ  . LYS   B 2 75  ? -33.392 -5.088  -8.628  1.00 65.93  ? 84  LYS   B NZ  1 
ATOM   927  N N   . LEU   B 2 76  ? -26.552 -6.759  -12.360 1.00 54.44  ? 85  LEU   B N   1 
ATOM   928  C CA  . LEU   B 2 76  ? -25.860 -7.339  -13.548 1.00 53.29  ? 85  LEU   B CA  1 
ATOM   929  C C   . LEU   B 2 76  ? -25.088 -8.615  -13.170 1.00 60.62  ? 85  LEU   B C   1 
ATOM   930  O O   . LEU   B 2 76  ? -24.027 -8.507  -12.530 1.00 66.38  ? 85  LEU   B O   1 
ATOM   931  C CB  . LEU   B 2 76  ? -24.907 -6.272  -14.092 1.00 53.15  ? 85  LEU   B CB  1 
ATOM   932  C CG  . LEU   B 2 76  ? -25.509 -4.871  -14.229 1.00 52.43  ? 85  LEU   B CG  1 
ATOM   933  C CD1 . LEU   B 2 76  ? -24.448 -3.862  -14.651 1.00 51.86  ? 85  LEU   B CD1 1 
ATOM   934  C CD2 . LEU   B 2 76  ? -26.687 -4.870  -15.192 1.00 49.12  ? 85  LEU   B CD2 1 
ATOM   935  N N   . ASP   B 2 77  ? -25.573 -9.782  -13.602 1.00 67.18  ? 86  ASP   B N   1 
ATOM   936  C CA  . ASP   B 2 77  ? -25.063 -11.116 -13.176 1.00 69.01  ? 86  ASP   B CA  1 
ATOM   937  C C   . ASP   B 2 77  ? -24.425 -11.881 -14.355 1.00 65.71  ? 86  ASP   B C   1 
ATOM   938  O O   . ASP   B 2 77  ? -23.726 -12.875 -14.086 1.00 70.47  ? 86  ASP   B O   1 
ATOM   939  C CB  . ASP   B 2 77  ? -26.173 -11.932 -12.504 1.00 67.61  ? 86  ASP   B CB  1 
ATOM   940  C CG  . ASP   B 2 77  ? -27.484 -11.868 -13.261 1.00 79.55  ? 86  ASP   B CG  1 
ATOM   941  O OD1 . ASP   B 2 77  ? -27.555 -11.072 -14.226 1.00 78.99  ? 86  ASP   B OD1 1 
ATOM   942  O OD2 . ASP   B 2 77  ? -28.428 -12.604 -12.883 1.00 88.36  ? 86  ASP   B OD2 1 
ATOM   943  N N   . ALA   B 2 78  ? -24.584 -11.442 -15.606 1.00 59.18  ? 87  ALA   B N   1 
ATOM   944  C CA  . ALA   B 2 78  ? -23.984 -12.123 -16.774 1.00 58.29  ? 87  ALA   B CA  1 
ATOM   945  C C   . ALA   B 2 78  ? -22.458 -12.234 -16.605 1.00 61.77  ? 87  ALA   B C   1 
ATOM   946  O O   . ALA   B 2 78  ? -21.839 -11.299 -16.030 1.00 70.46  ? 87  ALA   B O   1 
ATOM   947  C CB  . ALA   B 2 78  ? -24.342 -11.399 -18.044 1.00 56.81  ? 87  ALA   B CB  1 
ATOM   948  N N   . ALA   B 2 79  ? -21.858 -13.309 -17.130 1.00 57.22  ? 88  ALA   B N   1 
ATOM   949  C CA  . ALA   B 2 79  ? -20.406 -13.603 -17.022 1.00 53.33  ? 88  ALA   B CA  1 
ATOM   950  C C   . ALA   B 2 79  ? -19.801 -13.863 -18.402 1.00 52.64  ? 88  ALA   B C   1 
ATOM   951  O O   . ALA   B 2 79  ? -20.449 -14.517 -19.202 1.00 48.23  ? 88  ALA   B O   1 
ATOM   952  C CB  . ALA   B 2 79  ? -20.222 -14.802 -16.130 1.00 60.04  ? 88  ALA   B CB  1 
ATOM   953  N N   . TRP   B 2 80  ? -18.596 -13.365 -18.676 1.00 52.49  ? 89  TRP   B N   1 
ATOM   954  C CA  . TRP   B 2 80  ? -17.763 -13.881 -19.794 1.00 57.02  ? 89  TRP   B CA  1 
ATOM   955  C C   . TRP   B 2 80  ? -17.729 -15.408 -19.695 1.00 60.35  ? 89  TRP   B C   1 
ATOM   956  O O   . TRP   B 2 80  ? -17.626 -15.931 -18.547 1.00 56.89  ? 89  TRP   B O   1 
ATOM   957  C CB  . TRP   B 2 80  ? -16.365 -13.276 -19.784 1.00 58.39  ? 89  TRP   B CB  1 
ATOM   958  C CG  . TRP   B 2 80  ? -15.545 -13.629 -20.982 1.00 68.92  ? 89  TRP   B CG  1 
ATOM   959  C CD1 . TRP   B 2 80  ? -15.961 -13.743 -22.279 1.00 65.51  ? 89  TRP   B CD1 1 
ATOM   960  C CD2 . TRP   B 2 80  ? -14.126 -13.874 -20.988 1.00 73.10  ? 89  TRP   B CD2 1 
ATOM   961  N NE1 . TRP   B 2 80  ? -14.900 -14.044 -23.088 1.00 70.82  ? 89  TRP   B NE1 1 
ATOM   962  C CE2 . TRP   B 2 80  ? -13.764 -14.135 -22.327 1.00 69.59  ? 89  TRP   B CE2 1 
ATOM   963  C CE3 . TRP   B 2 80  ? -13.140 -13.928 -19.991 1.00 66.42  ? 89  TRP   B CE3 1 
ATOM   964  C CZ2 . TRP   B 2 80  ? -12.454 -14.445 -22.685 1.00 71.12  ? 89  TRP   B CZ2 1 
ATOM   965  C CZ3 . TRP   B 2 80  ? -11.843 -14.227 -20.351 1.00 68.73  ? 89  TRP   B CZ3 1 
ATOM   966  C CH2 . TRP   B 2 80  ? -11.510 -14.484 -21.682 1.00 69.32  ? 89  TRP   B CH2 1 
ATOM   967  N N   . ASP   B 2 81  ? -17.914 -16.083 -20.835 1.00 65.28  ? 90  ASP   B N   1 
ATOM   968  C CA  . ASP   B 2 81  ? -18.013 -17.566 -20.918 1.00 65.01  ? 90  ASP   B CA  1 
ATOM   969  C C   . ASP   B 2 81  ? -16.611 -18.182 -20.943 1.00 65.91  ? 90  ASP   B C   1 
ATOM   970  O O   . ASP   B 2 81  ? -16.536 -19.403 -20.710 1.00 73.41  ? 90  ASP   B O   1 
ATOM   971  C CB  . ASP   B 2 81  ? -18.820 -18.030 -22.133 1.00 62.83  ? 90  ASP   B CB  1 
ATOM   972  C CG  . ASP   B 2 81  ? -18.280 -17.597 -23.483 1.00 57.93  ? 90  ASP   B CG  1 
ATOM   973  O OD1 . ASP   B 2 81  ? -17.257 -16.848 -23.529 1.00 59.57  ? 90  ASP   B OD1 1 
ATOM   974  O OD2 . ASP   B 2 81  ? -18.922 -17.970 -24.483 1.00 61.61  ? 90  ASP   B OD2 1 
ATOM   975  N N   . GLY   B 2 82  ? -15.582 -17.365 -21.217 1.00 68.90  ? 91  GLY   B N   1 
ATOM   976  C CA  . GLY   B 2 82  ? -14.149 -17.720 -21.234 1.00 65.31  ? 91  GLY   B CA  1 
ATOM   977  C C   . GLY   B 2 82  ? -13.620 -17.882 -22.654 1.00 68.19  ? 91  GLY   B C   1 
ATOM   978  O O   . GLY   B 2 82  ? -12.383 -17.972 -22.815 1.00 72.02  ? 91  GLY   B O   1 
ATOM   979  N N   . LEU   B 2 83  ? -14.508 -17.909 -23.655 1.00 70.66  ? 92  LEU   B N   1 
ATOM   980  C CA  . LEU   B 2 83  ? -14.196 -18.280 -25.068 1.00 67.94  ? 92  LEU   B CA  1 
ATOM   981  C C   . LEU   B 2 83  ? -14.419 -17.098 -26.021 1.00 70.14  ? 92  LEU   B C   1 
ATOM   982  O O   . LEU   B 2 83  ? -13.444 -16.634 -26.647 1.00 69.83  ? 92  LEU   B O   1 
ATOM   983  C CB  . LEU   B 2 83  ? -15.118 -19.435 -25.455 1.00 71.48  ? 92  LEU   B CB  1 
ATOM   984  C CG  . LEU   B 2 83  ? -14.683 -20.810 -24.962 1.00 75.93  ? 92  LEU   B CG  1 
ATOM   985  C CD1 . LEU   B 2 83  ? -15.693 -21.872 -25.382 1.00 77.90  ? 92  LEU   B CD1 1 
ATOM   986  C CD2 . LEU   B 2 83  ? -13.289 -21.144 -25.482 1.00 74.16  ? 92  LEU   B CD2 1 
ATOM   987  N N   . SER   B 2 84  ? -15.664 -16.622 -26.111 1.00 74.19  ? 93  SER   B N   1 
ATOM   988  C CA  . SER   B 2 84  ? -16.181 -15.717 -27.173 1.00 64.58  ? 93  SER   B CA  1 
ATOM   989  C C   . SER   B 2 84  ? -15.548 -14.318 -27.097 1.00 68.26  ? 93  SER   B C   1 
ATOM   990  O O   . SER   B 2 84  ? -14.991 -13.930 -26.031 1.00 63.28  ? 93  SER   B O   1 
ATOM   991  C CB  . SER   B 2 84  ? -17.661 -15.671 -27.066 1.00 68.36  ? 93  SER   B CB  1 
ATOM   992  O OG  . SER   B 2 84  ? -18.120 -16.724 -26.220 1.00 66.91  ? 93  SER   B OG  1 
ATOM   993  N N   . GLU   B 2 85  ? -15.588 -13.569 -28.200 1.00 69.97  ? 94  GLU   B N   1 
ATOM   994  C CA  . GLU   B 2 85  ? -15.201 -12.133 -28.172 1.00 74.20  ? 94  GLU   B CA  1 
ATOM   995  C C   . GLU   B 2 85  ? -16.329 -11.376 -27.458 1.00 61.77  ? 94  GLU   B C   1 
ATOM   996  O O   . GLU   B 2 85  ? -17.426 -11.955 -27.218 1.00 45.49  ? 94  GLU   B O   1 
ATOM   997  C CB  . GLU   B 2 85  ? -14.903 -11.576 -29.570 1.00 80.26  ? 94  GLU   B CB  1 
ATOM   998  C CG  . GLU   B 2 85  ? -13.550 -12.005 -30.121 1.00 81.06  ? 94  GLU   B CG  1 
ATOM   999  C CD  . GLU   B 2 85  ? -13.221 -11.536 -31.529 1.00 80.55  ? 94  GLU   B CD  1 
ATOM   1000 O OE1 . GLU   B 2 85  ? -13.988 -10.724 -32.057 1.00 84.62  ? 94  GLU   B OE1 1 
ATOM   1001 O OE2 . GLU   B 2 85  ? -12.180 -11.961 -32.083 1.00 76.98  ? 94  GLU   B OE2 1 
ATOM   1002 N N   . VAL   B 2 86  ? -16.049 -10.133 -27.102 1.00 57.82  ? 95  VAL   B N   1 
ATOM   1003 C CA  . VAL   B 2 86  ? -17.004 -9.230  -26.396 1.00 56.44  ? 95  VAL   B CA  1 
ATOM   1004 C C   . VAL   B 2 86  ? -16.913 -7.852  -27.068 1.00 61.35  ? 95  VAL   B C   1 
ATOM   1005 O O   . VAL   B 2 86  ? -15.925 -7.644  -27.851 1.00 52.23  ? 95  VAL   B O   1 
ATOM   1006 C CB  . VAL   B 2 86  ? -16.629 -9.152  -24.904 1.00 43.41  ? 95  VAL   B CB  1 
ATOM   1007 C CG1 . VAL   B 2 86  ? -16.559 -10.534 -24.278 1.00 47.91  ? 95  VAL   B CG1 1 
ATOM   1008 C CG2 . VAL   B 2 86  ? -15.317 -8.399  -24.707 1.00 43.90  ? 95  VAL   B CG2 1 
ATOM   1009 N N   . GLN   B 2 87  ? -17.813 -6.915  -26.708 1.00 58.37  ? 96  GLN   B N   1 
ATOM   1010 C CA  . GLN   B 2 87  ? -17.697 -5.491  -27.133 1.00 54.08  ? 96  GLN   B CA  1 
ATOM   1011 C C   . GLN   B 2 87  ? -17.565 -4.587  -25.902 1.00 46.68  ? 96  GLN   B C   1 
ATOM   1012 O O   . GLN   B 2 87  ? -18.368 -4.743  -24.986 1.00 46.84  ? 96  GLN   B O   1 
ATOM   1013 C CB  . GLN   B 2 87  ? -18.874 -5.129  -28.048 1.00 64.98  ? 96  GLN   B CB  1 
ATOM   1014 C CG  . GLN   B 2 87  ? -18.709 -5.662  -29.475 1.00 73.67  ? 96  GLN   B CG  1 
ATOM   1015 C CD  . GLN   B 2 87  ? -19.878 -5.438  -30.419 1.00 74.50  ? 96  GLN   B CD  1 
ATOM   1016 O OE1 . GLN   B 2 87  ? -20.947 -4.948  -30.055 1.00 72.41  ? 96  GLN   B OE1 1 
ATOM   1017 N NE2 . GLN   B 2 87  ? -19.686 -5.813  -31.673 1.00 66.25  ? 96  GLN   B NE2 1 
ATOM   1018 N N   . LEU   B 2 88  ? -16.548 -3.708  -25.870 1.00 41.76  ? 97  LEU   B N   1 
ATOM   1019 C CA  . LEU   B 2 88  ? -16.527 -2.507  -25.005 1.00 44.52  ? 97  LEU   B CA  1 
ATOM   1020 C C   . LEU   B 2 88  ? -17.477 -1.491  -25.661 1.00 54.69  ? 97  LEU   B C   1 
ATOM   1021 O O   . LEU   B 2 88  ? -17.205 -1.102  -26.820 1.00 50.72  ? 97  LEU   B O   1 
ATOM   1022 C CB  . LEU   B 2 88  ? -15.094 -1.966  -24.905 1.00 41.13  ? 97  LEU   B CB  1 
ATOM   1023 C CG  . LEU   B 2 88  ? -14.939 -0.677  -24.097 1.00 43.97  ? 97  LEU   B CG  1 
ATOM   1024 C CD1 . LEU   B 2 88  ? -15.411 -0.858  -22.658 1.00 48.33  ? 97  LEU   B CD1 1 
ATOM   1025 C CD2 . LEU   B 2 88  ? -13.499 -0.186  -24.099 1.00 44.28  ? 97  LEU   B CD2 1 
ATOM   1026 N N   . LEU   B 2 89  ? -18.614 -1.179  -25.038 1.00 54.14  ? 98  LEU   B N   1 
ATOM   1027 C CA  . LEU   B 2 89  ? -19.469 -0.033  -25.459 1.00 43.99  ? 98  LEU   B CA  1 
ATOM   1028 C C   . LEU   B 2 89  ? -18.813 1.161   -24.802 1.00 46.24  ? 98  LEU   B C   1 
ATOM   1029 O O   . LEU   B 2 89  ? -19.142 1.453   -23.654 1.00 51.39  ? 98  LEU   B O   1 
ATOM   1030 C CB  . LEU   B 2 89  ? -20.913 -0.271  -25.017 1.00 48.48  ? 98  LEU   B CB  1 
ATOM   1031 C CG  . LEU   B 2 89  ? -21.972 0.778   -25.403 1.00 52.84  ? 98  LEU   B CG  1 
ATOM   1032 C CD1 . LEU   B 2 89  ? -21.719 1.393   -26.764 1.00 57.01  ? 98  LEU   B CD1 1 
ATOM   1033 C CD2 . LEU   B 2 89  ? -23.369 0.154   -25.373 1.00 53.31  ? 98  LEU   B CD2 1 
ATOM   1034 N N   . ALA   B 2 90  ? -17.762 1.665   -25.439 1.00 43.74  ? 99  ALA   B N   1 
ATOM   1035 C CA  . ALA   B 2 90  ? -16.932 2.760   -24.911 1.00 44.57  ? 99  ALA   B CA  1 
ATOM   1036 C C   . ALA   B 2 90  ? -17.717 4.057   -25.038 1.00 52.08  ? 99  ALA   B C   1 
ATOM   1037 O O   . ALA   B 2 90  ? -18.410 4.232   -26.063 1.00 53.03  ? 99  ALA   B O   1 
ATOM   1038 C CB  . ALA   B 2 90  ? -15.644 2.851   -25.665 1.00 44.60  ? 99  ALA   B CB  1 
ATOM   1039 N N   . VAL   B 2 91  ? -17.590 4.923   -24.041 1.00 52.89  ? 100 VAL   B N   1 
ATOM   1040 C CA  . VAL   B 2 91  ? -18.278 6.237   -23.993 1.00 47.49  ? 100 VAL   B CA  1 
ATOM   1041 C C   . VAL   B 2 91  ? -17.269 7.288   -23.564 1.00 46.35  ? 100 VAL   B C   1 
ATOM   1042 O O   . VAL   B 2 91  ? -17.262 7.716   -22.415 1.00 48.95  ? 100 VAL   B O   1 
ATOM   1043 C CB  . VAL   B 2 91  ? -19.486 6.179   -23.056 1.00 50.92  ? 100 VAL   B CB  1 
ATOM   1044 C CG1 . VAL   B 2 91  ? -20.123 7.558   -22.944 1.00 57.81  ? 100 VAL   B CG1 1 
ATOM   1045 C CG2 . VAL   B 2 91  ? -20.482 5.116   -23.514 1.00 47.81  ? 100 VAL   B CG2 1 
ATOM   1046 N N   . PRO   B 2 92  ? -16.389 7.737   -24.486 1.00 47.51  ? 101 PRO   B N   1 
ATOM   1047 C CA  . PRO   B 2 92  ? -15.313 8.661   -24.130 1.00 46.66  ? 101 PRO   B CA  1 
ATOM   1048 C C   . PRO   B 2 92  ? -15.799 10.086  -23.903 1.00 50.57  ? 101 PRO   B C   1 
ATOM   1049 O O   . PRO   B 2 92  ? -16.807 10.513  -24.484 1.00 54.07  ? 101 PRO   B O   1 
ATOM   1050 C CB  . PRO   B 2 92  ? -14.372 8.610   -25.347 1.00 50.92  ? 101 PRO   B CB  1 
ATOM   1051 C CG  . PRO   B 2 92  ? -14.862 7.445   -26.182 1.00 51.71  ? 101 PRO   B CG  1 
ATOM   1052 C CD  . PRO   B 2 92  ? -16.338 7.329   -25.896 1.00 52.69  ? 101 PRO   B CD  1 
ATOM   1053 N N   . PRO   B 2 93  ? -15.050 10.884  -23.117 1.00 56.15  ? 102 PRO   B N   1 
ATOM   1054 C CA  . PRO   B 2 93  ? -15.392 12.290  -22.918 1.00 60.64  ? 102 PRO   B CA  1 
ATOM   1055 C C   . PRO   B 2 93  ? -15.559 13.023  -24.263 1.00 66.89  ? 102 PRO   B C   1 
ATOM   1056 O O   . PRO   B 2 93  ? -14.700 12.928  -25.114 1.00 71.92  ? 102 PRO   B O   1 
ATOM   1057 C CB  . PRO   B 2 93  ? -14.237 12.861  -22.076 1.00 56.34  ? 102 PRO   B CB  1 
ATOM   1058 C CG  . PRO   B 2 93  ? -13.593 11.638  -21.432 1.00 63.04  ? 102 PRO   B CG  1 
ATOM   1059 C CD  . PRO   B 2 93  ? -13.833 10.488  -22.391 1.00 59.06  ? 102 PRO   B CD  1 
ATOM   1060 N N   . GLY   B 2 94  ? -16.693 13.708  -24.433 1.00 68.89  ? 103 GLY   B N   1 
ATOM   1061 C CA  . GLY   B 2 94  ? -16.961 14.588  -25.584 1.00 64.41  ? 103 GLY   B CA  1 
ATOM   1062 C C   . GLY   B 2 94  ? -17.140 13.834  -26.888 1.00 59.39  ? 103 GLY   B C   1 
ATOM   1063 O O   . GLY   B 2 94  ? -17.119 14.485  -27.937 1.00 64.14  ? 103 GLY   B O   1 
ATOM   1064 N N   . GLU   B 2 95  ? -17.327 12.515  -26.858 1.00 61.50  ? 104 GLU   B N   1 
ATOM   1065 C CA  . GLU   B 2 95  ? -17.323 11.687  -28.098 1.00 61.11  ? 104 GLU   B CA  1 
ATOM   1066 C C   . GLU   B 2 95  ? -18.468 10.692  -27.995 1.00 52.15  ? 104 GLU   B C   1 
ATOM   1067 O O   . GLU   B 2 95  ? -18.806 10.350  -26.867 1.00 61.62  ? 104 GLU   B O   1 
ATOM   1068 C CB  . GLU   B 2 95  ? -15.980 10.962  -28.297 1.00 63.56  ? 104 GLU   B CB  1 
ATOM   1069 C CG  . GLU   B 2 95  ? -14.750 11.880  -28.382 1.00 66.27  ? 104 GLU   B CG  1 
ATOM   1070 C CD  . GLU   B 2 95  ? -13.430 11.138  -28.600 1.00 71.21  ? 104 GLU   B CD  1 
ATOM   1071 O OE1 . GLU   B 2 95  ? -13.474 9.890   -28.669 1.00 69.56  ? 104 GLU   B OE1 1 
ATOM   1072 O OE2 . GLU   B 2 95  ? -12.354 11.798  -28.692 1.00 65.38  ? 104 GLU   B OE2 1 
ATOM   1073 N N   . ARG   B 2 96  ? -18.991 10.233  -29.128 1.00 50.00  ? 105 ARG   B N   1 
ATOM   1074 C CA  . ARG   B 2 96  ? -20.205 9.386   -29.218 1.00 55.96  ? 105 ARG   B CA  1 
ATOM   1075 C C   . ARG   B 2 96  ? -19.899 7.953   -28.761 1.00 60.88  ? 105 ARG   B C   1 
ATOM   1076 O O   . ARG   B 2 96  ? -18.838 7.409   -29.102 1.00 62.79  ? 105 ARG   B O   1 
ATOM   1077 C CB  . ARG   B 2 96  ? -20.744 9.422   -30.651 1.00 62.81  ? 105 ARG   B CB  1 
ATOM   1078 C CG  . ARG   B 2 96  ? -22.109 8.765   -30.815 1.00 68.47  ? 105 ARG   B CG  1 
ATOM   1079 C CD  . ARG   B 2 96  ? -22.903 9.314   -31.991 1.00 77.41  ? 105 ARG   B CD  1 
ATOM   1080 N NE  . ARG   B 2 96  ? -22.166 9.186   -33.239 1.00 82.94  ? 105 ARG   B NE  1 
ATOM   1081 C CZ  . ARG   B 2 96  ? -21.485 10.155  -33.856 1.00 89.87  ? 105 ARG   B CZ  1 
ATOM   1082 N NH1 . ARG   B 2 96  ? -21.453 11.391  -33.376 1.00 89.38  ? 105 ARG   B NH1 1 
ATOM   1083 N NH2 . ARG   B 2 96  ? -20.851 9.875   -34.986 1.00 94.30  ? 105 ARG   B NH2 1 
ATOM   1084 N N   . ALA   B 2 97  ? -20.826 7.348   -28.024 1.00 60.83  ? 106 ALA   B N   1 
ATOM   1085 C CA  . ALA   B 2 97  ? -20.811 5.909   -27.701 1.00 60.20  ? 106 ALA   B CA  1 
ATOM   1086 C C   . ALA   B 2 97  ? -20.371 5.141   -28.954 1.00 63.79  ? 106 ALA   B C   1 
ATOM   1087 O O   . ALA   B 2 97  ? -20.963 5.369   -30.019 1.00 62.91  ? 106 ALA   B O   1 
ATOM   1088 C CB  . ALA   B 2 97  ? -22.164 5.457   -27.213 1.00 54.07  ? 106 ALA   B CB  1 
ATOM   1089 N N   . LYS   B 2 98  ? -19.381 4.257   -28.801 1.00 70.00  ? 107 LYS   B N   1 
ATOM   1090 C CA  . LYS   B 2 98  ? -18.742 3.466   -29.886 1.00 68.80  ? 107 LYS   B CA  1 
ATOM   1091 C C   . LYS   B 2 98  ? -18.476 2.039   -29.390 1.00 65.23  ? 107 LYS   B C   1 
ATOM   1092 O O   . LYS   B 2 98  ? -17.739 1.923   -28.382 1.00 57.48  ? 107 LYS   B O   1 
ATOM   1093 C CB  . LYS   B 2 98  ? -17.442 4.179   -30.263 1.00 76.31  ? 107 LYS   B CB  1 
ATOM   1094 C CG  . LYS   B 2 98  ? -16.691 3.592   -31.445 1.00 90.88  ? 107 LYS   B CG  1 
ATOM   1095 C CD  . LYS   B 2 98  ? -15.343 4.240   -31.675 1.00 98.84  ? 107 LYS   B CD  1 
ATOM   1096 C CE  . LYS   B 2 98  ? -14.532 4.390   -30.405 1.00 94.92  ? 107 LYS   B CE  1 
ATOM   1097 N NZ  . LYS   B 2 98  ? -13.081 4.361   -30.694 1.00 98.91  ? 107 LYS   B NZ  1 
ATOM   1098 N N   . ASN   B 2 99  ? -19.061 1.017   -30.036 1.00 52.66  ? 108 ASN   B N   1 
ATOM   1099 C CA  . ASN   B 2 99  ? -18.751 -0.417  -29.782 1.00 61.12  ? 108 ASN   B CA  1 
ATOM   1100 C C   . ASN   B 2 99  ? -17.376 -0.758  -30.367 1.00 62.29  ? 108 ASN   B C   1 
ATOM   1101 O O   . ASN   B 2 99  ? -17.110 -0.414  -31.516 1.00 65.25  ? 108 ASN   B O   1 
ATOM   1102 C CB  . ASN   B 2 99  ? -19.775 -1.401  -30.351 1.00 56.37  ? 108 ASN   B CB  1 
ATOM   1103 C CG  . ASN   B 2 99  ? -21.157 -1.167  -29.797 1.00 61.98  ? 108 ASN   B CG  1 
ATOM   1104 O OD1 . ASN   B 2 99  ? -21.600 -0.027  -29.755 1.00 72.04  ? 108 ASN   B OD1 1 
ATOM   1105 N ND2 . ASN   B 2 99  ? -21.847 -2.215  -29.382 1.00 62.94  ? 108 ASN   B ND2 1 
ATOM   1106 N N   . ILE   B 2 100 ? -16.551 -1.441  -29.583 1.00 58.48  ? 109 ILE   B N   1 
ATOM   1107 C CA  . ILE   B 2 100 ? -15.252 -2.028  -30.007 1.00 60.36  ? 109 ILE   B CA  1 
ATOM   1108 C C   . ILE   B 2 100 ? -15.282 -3.502  -29.658 1.00 60.23  ? 109 ILE   B C   1 
ATOM   1109 O O   . ILE   B 2 100 ? -15.316 -3.796  -28.444 1.00 61.96  ? 109 ILE   B O   1 
ATOM   1110 C CB  . ILE   B 2 100 ? -14.097 -1.340  -29.282 1.00 62.49  ? 109 ILE   B CB  1 
ATOM   1111 C CG1 . ILE   B 2 100 ? -14.273 0.175   -29.291 1.00 70.20  ? 109 ILE   B CG1 1 
ATOM   1112 C CG2 . ILE   B 2 100 ? -12.767 -1.794  -29.854 1.00 62.05  ? 109 ILE   B CG2 1 
ATOM   1113 C CD1 . ILE   B 2 100 ? -14.257 0.777   -30.673 1.00 82.00  ? 109 ILE   B CD1 1 
ATOM   1114 N N   . GLN   B 2 101 ? -15.298 -4.377  -30.662 1.00 61.69  ? 110 GLN   B N   1 
ATOM   1115 C CA  . GLN   B 2 101 ? -15.274 -5.849  -30.450 1.00 69.17  ? 110 GLN   B CA  1 
ATOM   1116 C C   . GLN   B 2 101 ? -13.832 -6.287  -30.148 1.00 68.38  ? 110 GLN   B C   1 
ATOM   1117 O O   . GLN   B 2 101 ? -12.893 -5.701  -30.735 1.00 60.47  ? 110 GLN   B O   1 
ATOM   1118 C CB  . GLN   B 2 101 ? -15.863 -6.570  -31.652 1.00 69.10  ? 110 GLN   B CB  1 
ATOM   1119 C CG  . GLN   B 2 101 ? -15.830 -8.071  -31.486 1.00 67.65  ? 110 GLN   B CG  1 
ATOM   1120 C CD  . GLN   B 2 101 ? -16.865 -8.741  -32.348 1.00 69.81  ? 110 GLN   B CD  1 
ATOM   1121 O OE1 . GLN   B 2 101 ? -17.952 -8.221  -32.574 1.00 77.21  ? 110 GLN   B OE1 1 
ATOM   1122 N NE2 . GLN   B 2 101 ? -16.537 -9.920  -32.838 1.00 74.35  ? 110 GLN   B NE2 1 
ATOM   1123 N N   . THR   B 2 102 ? -13.652 -7.228  -29.213 1.00 67.70  ? 111 THR   B N   1 
ATOM   1124 C CA  . THR   B 2 102 ? -12.308 -7.671  -28.760 1.00 62.04  ? 111 THR   B CA  1 
ATOM   1125 C C   . THR   B 2 102 ? -12.417 -9.049  -28.107 1.00 62.36  ? 111 THR   B C   1 
ATOM   1126 O O   . THR   B 2 102 ? -13.522 -9.432  -27.657 1.00 64.20  ? 111 THR   B O   1 
ATOM   1127 C CB  . THR   B 2 102 ? -11.657 -6.589  -27.888 1.00 70.19  ? 111 THR   B CB  1 
ATOM   1128 O OG1 . THR   B 2 102 ? -10.231 -6.702  -27.946 1.00 69.15  ? 111 THR   B OG1 1 
ATOM   1129 C CG2 . THR   B 2 102 ? -12.124 -6.632  -26.450 1.00 73.20  ? 111 THR   B CG2 1 
ATOM   1130 N N   . LEU   B 2 103 ? -11.318 -9.800  -28.131 1.00 61.75  ? 112 LEU   B N   1 
ATOM   1131 C CA  . LEU   B 2 103 ? -11.192 -11.073 -27.373 1.00 64.85  ? 112 LEU   B CA  1 
ATOM   1132 C C   . LEU   B 2 103 ? -10.428 -10.739 -26.097 1.00 62.29  ? 112 LEU   B C   1 
ATOM   1133 O O   . LEU   B 2 103 ? -9.307  -10.213 -26.142 1.00 58.23  ? 112 LEU   B O   1 
ATOM   1134 C CB  . LEU   B 2 103 ? -10.472 -12.152 -28.184 1.00 58.42  ? 112 LEU   B CB  1 
ATOM   1135 C CG  . LEU   B 2 103 ? -10.244 -13.467 -27.446 1.00 56.05  ? 112 LEU   B CG  1 
ATOM   1136 C CD1 . LEU   B 2 103 ? -11.512 -14.314 -27.419 1.00 49.91  ? 112 LEU   B CD1 1 
ATOM   1137 C CD2 . LEU   B 2 103 ? -9.098  -14.245 -28.085 1.00 60.32  ? 112 LEU   B CD2 1 
ATOM   1138 N N   . PRO   B 2 104 ? -11.051 -10.987 -24.927 1.00 56.22  ? 113 PRO   B N   1 
ATOM   1139 C CA  . PRO   B 2 104 ? -10.407 -10.696 -23.659 1.00 55.79  ? 113 PRO   B CA  1 
ATOM   1140 C C   . PRO   B 2 104 ? -9.227  -11.651 -23.429 1.00 57.51  ? 113 PRO   B C   1 
ATOM   1141 O O   . PRO   B 2 104 ? -9.324  -12.834 -23.785 1.00 51.61  ? 113 PRO   B O   1 
ATOM   1142 C CB  . PRO   B 2 104 ? -11.502 -10.949 -22.612 1.00 57.65  ? 113 PRO   B CB  1 
ATOM   1143 C CG  . PRO   B 2 104 ? -12.787 -11.061 -23.394 1.00 57.01  ? 113 PRO   B CG  1 
ATOM   1144 C CD  . PRO   B 2 104 ? -12.386 -11.583 -24.756 1.00 57.79  ? 113 PRO   B CD  1 
ATOM   1145 N N   . GLY   B 2 105 ? -8.152  -11.096 -22.876 1.00 53.78  ? 114 GLY   B N   1 
ATOM   1146 C CA  . GLY   B 2 105 ? -7.098  -11.823 -22.157 1.00 57.03  ? 114 GLY   B CA  1 
ATOM   1147 C C   . GLY   B 2 105 ? -7.538  -12.191 -20.747 1.00 60.31  ? 114 GLY   B C   1 
ATOM   1148 O O   . GLY   B 2 105 ? -8.756  -12.441 -20.538 1.00 55.54  ? 114 GLY   B O   1 
ATOM   1149 N N   . ILE   B 2 106 ? -6.570  -12.305 -19.834 1.00 62.89  ? 115 ILE   B N   1 
ATOM   1150 C CA  . ILE   B 2 106 ? -6.747  -12.901 -18.476 1.00 58.68  ? 115 ILE   B CA  1 
ATOM   1151 C C   . ILE   B 2 106 ? -5.880  -12.145 -17.461 1.00 62.82  ? 115 ILE   B C   1 
ATOM   1152 O O   . ILE   B 2 106 ? -4.711  -11.839 -17.732 1.00 62.79  ? 115 ILE   B O   1 
ATOM   1153 C CB  . ILE   B 2 106 ? -6.433  -14.406 -18.441 1.00 57.75  ? 115 ILE   B CB  1 
ATOM   1154 C CG1 . ILE   B 2 106 ? -7.194  -15.213 -19.489 1.00 64.90  ? 115 ILE   B CG1 1 
ATOM   1155 C CG2 . ILE   B 2 106 ? -6.706  -14.960 -17.057 1.00 63.06  ? 115 ILE   B CG2 1 
ATOM   1156 C CD1 . ILE   B 2 106 ? -8.546  -15.693 -19.045 1.00 66.08  ? 115 ILE   B CD1 1 
ATOM   1157 N N   . PHE   B 2 107 ? -6.488  -11.837 -16.321 1.00 67.88  ? 116 PHE   B N   1 
ATOM   1158 C CA  . PHE   B 2 107 ? -5.826  -11.442 -15.061 1.00 61.67  ? 116 PHE   B CA  1 
ATOM   1159 C C   . PHE   B 2 107 ? -5.710  -12.720 -14.218 1.00 63.69  ? 116 PHE   B C   1 
ATOM   1160 O O   . PHE   B 2 107 ? -6.764  -13.276 -13.835 1.00 58.80  ? 116 PHE   B O   1 
ATOM   1161 C CB  . PHE   B 2 107 ? -6.657  -10.333 -14.411 1.00 62.17  ? 116 PHE   B CB  1 
ATOM   1162 C CG  . PHE   B 2 107 ? -6.330  -8.930  -14.861 1.00 63.02  ? 116 PHE   B CG  1 
ATOM   1163 C CD1 . PHE   B 2 107 ? -5.632  -8.691  -16.035 1.00 56.02  ? 116 PHE   B CD1 1 
ATOM   1164 C CD2 . PHE   B 2 107 ? -6.750  -7.847  -14.106 1.00 60.67  ? 116 PHE   B CD2 1 
ATOM   1165 C CE1 . PHE   B 2 107 ? -5.314  -7.400  -16.417 1.00 59.43  ? 116 PHE   B CE1 1 
ATOM   1166 C CE2 . PHE   B 2 107 ? -6.431  -6.556  -14.489 1.00 66.17  ? 116 PHE   B CE2 1 
ATOM   1167 C CZ  . PHE   B 2 107 ? -5.719  -6.334  -15.647 1.00 67.69  ? 116 PHE   B CZ  1 
ATOM   1168 N N   . LYS   B 2 108 ? -4.487  -13.226 -14.020 1.00 64.46  ? 117 LYS   B N   1 
ATOM   1169 C CA  . LYS   B 2 108 ? -4.221  -14.387 -13.129 1.00 66.64  ? 117 LYS   B CA  1 
ATOM   1170 C C   . LYS   B 2 108 ? -3.884  -13.846 -11.734 1.00 56.11  ? 117 LYS   B C   1 
ATOM   1171 O O   . LYS   B 2 108 ? -2.909  -13.078 -11.584 1.00 55.82  ? 117 LYS   B O   1 
ATOM   1172 C CB  . LYS   B 2 108 ? -3.154  -15.316 -13.729 1.00 72.86  ? 117 LYS   B CB  1 
ATOM   1173 C CG  . LYS   B 2 108 ? -3.729  -16.524 -14.464 1.00 81.80  ? 117 LYS   B CG  1 
ATOM   1174 C CD  . LYS   B 2 108 ? -2.708  -17.456 -15.094 1.00 89.13  ? 117 LYS   B CD  1 
ATOM   1175 C CE  . LYS   B 2 108 ? -3.352  -18.451 -16.047 1.00 100.87 ? 117 LYS   B CE  1 
ATOM   1176 N NZ  . LYS   B 2 108 ? -2.359  -19.162 -16.896 1.00 98.73  ? 117 LYS   B NZ  1 
ATOM   1177 N N   . THR   B 2 109 ? -4.704  -14.194 -10.748 1.00 59.21  ? 118 THR   B N   1 
ATOM   1178 C CA  . THR   B 2 109 ? -4.536  -13.759 -9.336  1.00 58.68  ? 118 THR   B CA  1 
ATOM   1179 C C   . THR   B 2 109 ? -4.560  -14.978 -8.423  1.00 60.20  ? 118 THR   B C   1 
ATOM   1180 O O   . THR   B 2 109 ? -5.181  -16.003 -8.810  1.00 61.29  ? 118 THR   B O   1 
ATOM   1181 C CB  . THR   B 2 109 ? -5.655  -12.807 -8.889  1.00 59.83  ? 118 THR   B CB  1 
ATOM   1182 O OG1 . THR   B 2 109 ? -6.801  -13.571 -8.501  1.00 54.83  ? 118 THR   B OG1 1 
ATOM   1183 C CG2 . THR   B 2 109 ? -6.024  -11.816 -9.969  1.00 55.56  ? 118 THR   B CG2 1 
ATOM   1184 N N   . LYS   B 2 110 ? -3.999  -14.815 -7.222  1.00 67.61  ? 119 LYS   B N   1 
ATOM   1185 C CA  . LYS   B 2 110 ? -3.976  -15.836 -6.143  1.00 67.89  ? 119 LYS   B CA  1 
ATOM   1186 C C   . LYS   B 2 110 ? -5.404  -16.314 -5.838  1.00 69.40  ? 119 LYS   B C   1 
ATOM   1187 O O   . LYS   B 2 110 ? -5.520  -17.411 -5.285  1.00 80.52  ? 119 LYS   B O   1 
ATOM   1188 C CB  . LYS   B 2 110 ? -3.276  -15.265 -4.905  1.00 68.27  ? 119 LYS   B CB  1 
ATOM   1189 C CG  . LYS   B 2 110 ? -4.038  -14.189 -4.143  1.00 72.98  ? 119 LYS   B CG  1 
ATOM   1190 C CD  . LYS   B 2 110 ? -3.228  -13.511 -3.045  1.00 81.28  ? 119 LYS   B CD  1 
ATOM   1191 C CE  . LYS   B 2 110 ? -3.797  -13.704 -1.653  1.00 90.10  ? 119 LYS   B CE  1 
ATOM   1192 N NZ  . LYS   B 2 110 ? -5.068  -12.959 -1.477  1.00 93.17  ? 119 LYS   B NZ  1 
ATOM   1193 N N   . ASP   B 2 111 ? -6.445  -15.542 -6.179  1.00 63.30  ? 120 ASP   B N   1 
ATOM   1194 C CA  . ASP   B 2 111 ? -7.859  -15.896 -5.879  1.00 64.02  ? 120 ASP   B CA  1 
ATOM   1195 C C   . ASP   B 2 111 ? -8.579  -16.389 -7.131  1.00 60.05  ? 120 ASP   B C   1 
ATOM   1196 O O   . ASP   B 2 111 ? -9.738  -16.826 -7.005  1.00 70.10  ? 120 ASP   B O   1 
ATOM   1197 C CB  . ASP   B 2 111 ? -8.622  -14.712 -5.289  1.00 70.25  ? 120 ASP   B CB  1 
ATOM   1198 C CG  . ASP   B 2 111 ? -8.054  -14.209 -3.975  1.00 78.36  ? 120 ASP   B CG  1 
ATOM   1199 O OD1 . ASP   B 2 111 ? -7.391  -15.008 -3.268  1.00 76.44  ? 120 ASP   B OD1 1 
ATOM   1200 O OD2 . ASP   B 2 111 ? -8.283  -13.018 -3.666  1.00 89.13  ? 120 ASP   B OD2 1 
ATOM   1201 N N   . GLY   B 2 112 ? -7.945  -16.328 -8.298  1.00 61.69  ? 121 GLY   B N   1 
ATOM   1202 C CA  . GLY   B 2 112 ? -8.551  -16.866 -9.529  1.00 63.19  ? 121 GLY   B CA  1 
ATOM   1203 C C   . GLY   B 2 112 ? -8.350  -15.975 -10.730 1.00 60.45  ? 121 GLY   B C   1 
ATOM   1204 O O   . GLY   B 2 112 ? -7.745  -14.908 -10.592 1.00 65.56  ? 121 GLY   B O   1 
ATOM   1205 N N   . ASP   B 2 113 ? -8.847  -16.430 -11.875 1.00 66.76  ? 122 ASP   B N   1 
ATOM   1206 C CA  . ASP   B 2 113 ? -8.695  -15.767 -13.196 1.00 67.47  ? 122 ASP   B CA  1 
ATOM   1207 C C   . ASP   B 2 113 ? -9.927  -14.911 -13.497 1.00 64.90  ? 122 ASP   B C   1 
ATOM   1208 O O   . ASP   B 2 113 ? -11.053 -15.402 -13.327 1.00 56.81  ? 122 ASP   B O   1 
ATOM   1209 C CB  . ASP   B 2 113 ? -8.500  -16.795 -14.310 1.00 69.63  ? 122 ASP   B CB  1 
ATOM   1210 C CG  . ASP   B 2 113 ? -7.253  -17.646 -14.141 1.00 75.30  ? 122 ASP   B CG  1 
ATOM   1211 O OD1 . ASP   B 2 113 ? -6.461  -17.353 -13.219 1.00 73.64  ? 122 ASP   B OD1 1 
ATOM   1212 O OD2 . ASP   B 2 113 ? -7.093  -18.596 -14.928 1.00 84.51  ? 122 ASP   B OD2 1 
ATOM   1213 N N   . ILE   B 2 114 ? -9.697  -13.687 -13.965 1.00 67.14  ? 123 ILE   B N   1 
ATOM   1214 C CA  . ILE   B 2 114 ? -10.749 -12.745 -14.434 1.00 65.31  ? 123 ILE   B CA  1 
ATOM   1215 C C   . ILE   B 2 114 ? -10.419 -12.420 -15.885 1.00 58.80  ? 123 ILE   B C   1 
ATOM   1216 O O   . ILE   B 2 114 ? -9.215  -12.242 -16.173 1.00 57.31  ? 123 ILE   B O   1 
ATOM   1217 C CB  . ILE   B 2 114 ? -10.764 -11.448 -13.594 1.00 71.37  ? 123 ILE   B CB  1 
ATOM   1218 C CG1 . ILE   B 2 114 ? -10.164 -11.622 -12.198 1.00 82.77  ? 123 ILE   B CG1 1 
ATOM   1219 C CG2 . ILE   B 2 114 ? -12.169 -10.872 -13.524 1.00 73.73  ? 123 ILE   B CG2 1 
ATOM   1220 C CD1 . ILE   B 2 114 ? -9.404  -10.405 -11.716 1.00 86.92  ? 123 ILE   B CD1 1 
ATOM   1221 N N   . GLY   B 2 115 ? -11.436 -12.241 -16.725 1.00 57.45  ? 124 GLY   B N   1 
ATOM   1222 C CA  . GLY   B 2 115 ? -11.282 -11.604 -18.048 1.00 55.58  ? 124 GLY   B CA  1 
ATOM   1223 C C   . GLY   B 2 115 ? -10.578 -10.254 -17.961 1.00 57.43  ? 124 GLY   B C   1 
ATOM   1224 O O   . GLY   B 2 115 ? -10.725 -9.519  -16.960 1.00 48.66  ? 124 GLY   B O   1 
ATOM   1225 N N   . ALA   B 2 116 ? -9.789  -9.929  -18.973 1.00 56.16  ? 125 ALA   B N   1 
ATOM   1226 C CA  . ALA   B 2 116 ? -9.166  -8.602  -19.119 1.00 58.60  ? 125 ALA   B CA  1 
ATOM   1227 C C   . ALA   B 2 116 ? -9.425  -8.133  -20.557 1.00 58.78  ? 125 ALA   B C   1 
ATOM   1228 O O   . ALA   B 2 116 ? -9.552  -8.987  -21.448 1.00 63.06  ? 125 ALA   B O   1 
ATOM   1229 C CB  . ALA   B 2 116 ? -7.708  -8.707  -18.758 1.00 57.05  ? 125 ALA   B CB  1 
ATOM   1230 N N   A VAL   B 2 117 ? -9.529  -6.816  -20.770 0.25 59.41  ? 126 VAL   B N   1 
ATOM   1231 N N   B VAL   B 2 117 ? -9.517  -6.813  -20.756 0.25 58.19  ? 126 VAL   B N   1 
ATOM   1232 N N   C VAL   B 2 117 ? -9.529  -6.816  -20.770 0.25 59.41  ? 126 VAL   B N   1 
ATOM   1233 N N   D VAL   B 2 117 ? -9.517  -6.813  -20.756 0.25 58.19  ? 126 VAL   B N   1 
ATOM   1234 C CA  A VAL   B 2 117 ? -9.725  -6.202  -22.118 0.25 59.25  ? 126 VAL   B CA  1 
ATOM   1235 C CA  B VAL   B 2 117 ? -9.730  -6.162  -22.083 0.25 57.19  ? 126 VAL   B CA  1 
ATOM   1236 C CA  C VAL   B 2 117 ? -9.725  -6.202  -22.118 0.25 59.25  ? 126 VAL   B CA  1 
ATOM   1237 C CA  D VAL   B 2 117 ? -9.730  -6.162  -22.083 0.25 57.19  ? 126 VAL   B CA  1 
ATOM   1238 C C   A VAL   B 2 117 ? -8.626  -5.161  -22.351 0.25 58.71  ? 126 VAL   B C   1 
ATOM   1239 C C   B VAL   B 2 117 ? -8.598  -5.160  -22.328 0.25 57.63  ? 126 VAL   B C   1 
ATOM   1240 C C   C VAL   B 2 117 ? -8.626  -5.161  -22.351 0.25 58.71  ? 126 VAL   B C   1 
ATOM   1241 C C   D VAL   B 2 117 ? -8.598  -5.160  -22.328 0.25 57.63  ? 126 VAL   B C   1 
ATOM   1242 O O   A VAL   B 2 117 ? -8.566  -4.182  -21.589 0.25 57.99  ? 126 VAL   B O   1 
ATOM   1243 O O   B VAL   B 2 117 ? -8.487  -4.199  -21.547 0.25 57.02  ? 126 VAL   B O   1 
ATOM   1244 O O   C VAL   B 2 117 ? -8.566  -4.182  -21.589 0.25 57.99  ? 126 VAL   B O   1 
ATOM   1245 O O   D VAL   B 2 117 ? -8.487  -4.199  -21.547 0.25 57.02  ? 126 VAL   B O   1 
ATOM   1246 C CB  A VAL   B 2 117 ? -11.130 -5.591  -22.274 0.25 61.01  ? 126 VAL   B CB  1 
ATOM   1247 C CB  B VAL   B 2 117 ? -11.107 -5.478  -22.163 0.25 57.67  ? 126 VAL   B CB  1 
ATOM   1248 C CB  C VAL   B 2 117 ? -11.130 -5.591  -22.274 0.25 61.01  ? 126 VAL   B CB  1 
ATOM   1249 C CB  D VAL   B 2 117 ? -11.107 -5.478  -22.163 0.25 57.67  ? 126 VAL   B CB  1 
ATOM   1250 C CG1 A VAL   B 2 117 ? -12.221 -6.619  -22.003 0.25 60.61  ? 126 VAL   B CG1 1 
ATOM   1251 C CG1 B VAL   B 2 117 ? -11.099 -4.325  -23.155 0.25 57.37  ? 126 VAL   B CG1 1 
ATOM   1252 C CG1 C VAL   B 2 117 ? -12.221 -6.619  -22.003 0.25 60.61  ? 126 VAL   B CG1 1 
ATOM   1253 C CG1 D VAL   B 2 117 ? -11.099 -4.325  -23.155 0.25 57.37  ? 126 VAL   B CG1 1 
ATOM   1254 C CG2 A VAL   B 2 117 ? -11.312 -4.359  -21.402 0.25 63.14  ? 126 VAL   B CG2 1 
ATOM   1255 C CG2 B VAL   B 2 117 ? -12.213 -6.473  -22.489 0.25 57.53  ? 126 VAL   B CG2 1 
ATOM   1256 C CG2 C VAL   B 2 117 ? -11.312 -4.359  -21.402 0.25 63.14  ? 126 VAL   B CG2 1 
ATOM   1257 C CG2 D VAL   B 2 117 ? -12.213 -6.473  -22.489 0.25 57.53  ? 126 VAL   B CG2 1 
ATOM   1258 N N   . ALA   B 2 118 ? -7.782  -5.390  -23.363 1.00 58.08  ? 127 ALA   B N   1 
ATOM   1259 C CA  . ALA   B 2 118 ? -6.665  -4.484  -23.730 1.00 64.56  ? 127 ALA   B CA  1 
ATOM   1260 C C   . ALA   B 2 118 ? -7.198  -3.453  -24.735 1.00 74.96  ? 127 ALA   B C   1 
ATOM   1261 O O   . ALA   B 2 118 ? -7.258  -3.780  -25.956 1.00 67.10  ? 127 ALA   B O   1 
ATOM   1262 C CB  . ALA   B 2 118 ? -5.504  -5.273  -24.275 1.00 62.08  ? 127 ALA   B CB  1 
ATOM   1263 N N   . LEU   B 2 119 ? -7.680  -2.316  -24.212 1.00 64.77  ? 128 LEU   B N   1 
ATOM   1264 C CA  . LEU   B 2 119 ? -8.209  -1.170  -24.992 1.00 58.42  ? 128 LEU   B CA  1 
ATOM   1265 C C   . LEU   B 2 119 ? -7.920  0.091   -24.192 1.00 59.67  ? 128 LEU   B C   1 
ATOM   1266 O O   . LEU   B 2 119 ? -8.151  0.081   -22.968 1.00 69.79  ? 128 LEU   B O   1 
ATOM   1267 C CB  . LEU   B 2 119 ? -9.704  -1.359  -25.223 1.00 54.61  ? 128 LEU   B CB  1 
ATOM   1268 C CG  . LEU   B 2 119 ? -10.066 -2.447  -26.219 1.00 57.15  ? 128 LEU   B CG  1 
ATOM   1269 C CD1 . LEU   B 2 119 ? -11.556 -2.731  -26.198 1.00 53.28  ? 128 LEU   B CD1 1 
ATOM   1270 C CD2 . LEU   B 2 119 ? -9.592  -2.063  -27.622 1.00 60.52  ? 128 LEU   B CD2 1 
ATOM   1271 N N   . ASP   B 2 120 ? -7.371  1.102   -24.847 1.00 61.07  ? 129 ASP   B N   1 
ATOM   1272 C CA  . ASP   B 2 120 ? -6.766  2.272   -24.175 1.00 65.13  ? 129 ASP   B CA  1 
ATOM   1273 C C   . ASP   B 2 120 ? -7.610  3.513   -24.506 1.00 70.89  ? 129 ASP   B C   1 
ATOM   1274 O O   . ASP   B 2 120 ? -7.573  3.996   -25.640 1.00 76.95  ? 129 ASP   B O   1 
ATOM   1275 C CB  . ASP   B 2 120 ? -5.290  2.373   -24.542 1.00 71.18  ? 129 ASP   B CB  1 
ATOM   1276 C CG  . ASP   B 2 120 ? -4.529  3.276   -23.593 1.00 87.09  ? 129 ASP   B CG  1 
ATOM   1277 O OD1 . ASP   B 2 120 ? -5.159  3.819   -22.661 1.00 95.45  ? 129 ASP   B OD1 1 
ATOM   1278 O OD2 . ASP   B 2 120 ? -3.316  3.432   -23.792 1.00 101.04 ? 129 ASP   B OD2 1 
ATOM   1279 N N   . TYR   B 2 121 ? -8.370  3.998   -23.533 1.00 64.84  ? 130 TYR   B N   1 
ATOM   1280 C CA  . TYR   B 2 121 ? -9.286  5.148   -23.682 1.00 65.07  ? 130 TYR   B CA  1 
ATOM   1281 C C   . TYR   B 2 121 ? -9.036  6.086   -22.525 1.00 65.73  ? 130 TYR   B C   1 
ATOM   1282 O O   . TYR   B 2 121 ? -8.502  5.639   -21.519 1.00 71.22  ? 130 TYR   B O   1 
ATOM   1283 C CB  . TYR   B 2 121 ? -10.721 4.652   -23.669 1.00 68.82  ? 130 TYR   B CB  1 
ATOM   1284 C CG  . TYR   B 2 121 ? -11.166 3.997   -24.949 1.00 77.61  ? 130 TYR   B CG  1 
ATOM   1285 C CD1 . TYR   B 2 121 ? -11.624 4.761   -26.012 1.00 77.50  ? 130 TYR   B CD1 1 
ATOM   1286 C CD2 . TYR   B 2 121 ? -11.167 2.618   -25.088 1.00 83.65  ? 130 TYR   B CD2 1 
ATOM   1287 C CE1 . TYR   B 2 121 ? -12.064 4.172   -27.184 1.00 76.41  ? 130 TYR   B CE1 1 
ATOM   1288 C CE2 . TYR   B 2 121 ? -11.617 2.013   -26.249 1.00 86.77  ? 130 TYR   B CE2 1 
ATOM   1289 C CZ  . TYR   B 2 121 ? -12.061 2.794   -27.302 1.00 84.51  ? 130 TYR   B CZ  1 
ATOM   1290 O OH  . TYR   B 2 121 ? -12.494 2.213   -28.455 1.00 88.23  ? 130 TYR   B OH  1 
ATOM   1291 N N   . PRO   B 2 122 ? -9.456  7.366   -22.592 1.00 64.76  ? 131 PRO   B N   1 
ATOM   1292 C CA  . PRO   B 2 122 ? -9.196  8.299   -21.501 1.00 66.38  ? 131 PRO   B CA  1 
ATOM   1293 C C   . PRO   B 2 122 ? -9.899  7.790   -20.231 1.00 61.41  ? 131 PRO   B C   1 
ATOM   1294 O O   . PRO   B 2 122 ? -10.823 6.987   -20.358 1.00 56.24  ? 131 PRO   B O   1 
ATOM   1295 C CB  . PRO   B 2 122 ? -9.772  9.629   -22.016 1.00 66.81  ? 131 PRO   B CB  1 
ATOM   1296 C CG  . PRO   B 2 122 ? -9.900  9.436   -23.510 1.00 61.03  ? 131 PRO   B CG  1 
ATOM   1297 C CD  . PRO   B 2 122 ? -10.261 7.976   -23.658 1.00 66.87  ? 131 PRO   B CD  1 
ATOM   1298 N N   . ALA   B 2 123 ? -9.426  8.241   -19.070 1.00 56.06  ? 132 ALA   B N   1 
ATOM   1299 C CA  . ALA   B 2 123 ? -9.883  7.839   -17.718 1.00 59.44  ? 132 ALA   B CA  1 
ATOM   1300 C C   . ALA   B 2 123 ? -11.401 8.009   -17.563 1.00 63.79  ? 132 ALA   B C   1 
ATOM   1301 O O   . ALA   B 2 123 ? -12.047 7.124   -16.916 1.00 58.72  ? 132 ALA   B O   1 
ATOM   1302 C CB  . ALA   B 2 123 ? -9.148  8.652   -16.685 1.00 57.62  ? 132 ALA   B CB  1 
ATOM   1303 N N   . GLY   B 2 124 ? -11.950 9.091   -18.131 1.00 55.96  ? 133 GLY   B N   1 
ATOM   1304 C CA  . GLY   B 2 124 ? -13.385 9.424   -18.073 1.00 51.29  ? 133 GLY   B CA  1 
ATOM   1305 C C   . GLY   B 2 124 ? -14.247 8.346   -18.716 1.00 49.40  ? 133 GLY   B C   1 
ATOM   1306 O O   . GLY   B 2 124 ? -15.508 8.458   -18.658 1.00 51.30  ? 133 GLY   B O   1 
ATOM   1307 N N   . THR   B 2 125 ? -13.620 7.329   -19.316 1.00 42.14  ? 134 THR   B N   1 
ATOM   1308 C CA  . THR   B 2 125 ? -14.333 6.185   -19.935 1.00 45.23  ? 134 THR   B CA  1 
ATOM   1309 C C   . THR   B 2 125 ? -14.594 5.102   -18.881 1.00 44.24  ? 134 THR   B C   1 
ATOM   1310 O O   . THR   B 2 125 ? -15.434 4.207   -19.205 1.00 53.20  ? 134 THR   B O   1 
ATOM   1311 C CB  . THR   B 2 125 ? -13.556 5.669   -21.150 1.00 50.57  ? 134 THR   B CB  1 
ATOM   1312 O OG1 . THR   B 2 125 ? -12.906 6.789   -21.739 1.00 50.39  ? 134 THR   B OG1 1 
ATOM   1313 C CG2 . THR   B 2 125 ? -14.434 5.032   -22.195 1.00 51.65  ? 134 THR   B CG2 1 
ATOM   1314 N N   . SER   B 2 126 ? -13.960 5.182   -17.693 1.00 43.72  ? 135 SER   B N   1 
ATOM   1315 C CA  . SER   B 2 126 ? -14.184 4.228   -16.565 1.00 47.51  ? 135 SER   B CA  1 
ATOM   1316 C C   . SER   B 2 126 ? -15.687 4.064   -16.326 1.00 48.90  ? 135 SER   B C   1 
ATOM   1317 O O   . SER   B 2 126 ? -16.360 5.091   -16.118 1.00 56.26  ? 135 SER   B O   1 
ATOM   1318 C CB  . SER   B 2 126 ? -13.527 4.639   -15.300 1.00 53.78  ? 135 SER   B CB  1 
ATOM   1319 O OG  . SER   B 2 126 ? -12.124 4.653   -15.427 1.00 60.55  ? 135 SER   B OG  1 
ATOM   1320 N N   . GLY   B 2 127 ? -16.187 2.832   -16.413 1.00 43.10  ? 136 GLY   B N   1 
ATOM   1321 C CA  . GLY   B 2 127 ? -17.574 2.445   -16.108 1.00 37.37  ? 136 GLY   B CA  1 
ATOM   1322 C C   . GLY   B 2 127 ? -18.304 2.074   -17.350 1.00 42.95  ? 136 GLY   B C   1 
ATOM   1323 O O   . GLY   B 2 127 ? -19.419 1.490   -17.241 1.00 45.31  ? 136 GLY   B O   1 
ATOM   1324 N N   . SER   B 2 128 ? -17.700 2.368   -18.505 1.00 45.18  ? 137 SER   B N   1 
ATOM   1325 C CA  . SER   B 2 128 ? -18.222 1.880   -19.798 1.00 46.25  ? 137 SER   B CA  1 
ATOM   1326 C C   . SER   B 2 128 ? -18.428 0.382   -19.643 1.00 45.74  ? 137 SER   B C   1 
ATOM   1327 O O   . SER   B 2 128 ? -17.541 -0.309  -19.152 1.00 43.90  ? 137 SER   B O   1 
ATOM   1328 C CB  . SER   B 2 128 ? -17.293 2.224   -20.945 1.00 50.53  ? 137 SER   B CB  1 
ATOM   1329 O OG  . SER   B 2 128 ? -17.178 3.638   -21.132 1.00 49.46  ? 137 SER   B OG  1 
ATOM   1330 N N   . PRO   B 2 129 ? -19.594 -0.150  -20.054 1.00 41.82  ? 138 PRO   B N   1 
ATOM   1331 C CA  . PRO   B 2 129 ? -19.857 -1.580  -19.987 1.00 44.45  ? 138 PRO   B CA  1 
ATOM   1332 C C   . PRO   B 2 129 ? -19.292 -2.496  -21.084 1.00 50.13  ? 138 PRO   B C   1 
ATOM   1333 O O   . PRO   B 2 129 ? -19.078 -2.074  -22.195 1.00 52.49  ? 138 PRO   B O   1 
ATOM   1334 C CB  . PRO   B 2 129 ? -21.395 -1.612  -20.097 1.00 40.88  ? 138 PRO   B CB  1 
ATOM   1335 C CG  . PRO   B 2 129 ? -21.751 -0.434  -20.948 1.00 41.95  ? 138 PRO   B CG  1 
ATOM   1336 C CD  . PRO   B 2 129 ? -20.716 0.615   -20.625 1.00 43.72  ? 138 PRO   B CD  1 
ATOM   1337 N N   . ILE   B 2 130 ? -19.141 -3.774  -20.740 1.00 50.09  ? 139 ILE   B N   1 
ATOM   1338 C CA  . ILE   B 2 130 ? -18.610 -4.860  -21.622 1.00 51.02  ? 139 ILE   B CA  1 
ATOM   1339 C C   . ILE   B 2 130 ? -19.740 -5.868  -21.849 1.00 44.26  ? 139 ILE   B C   1 
ATOM   1340 O O   . ILE   B 2 130 ? -20.424 -6.166  -20.869 1.00 42.83  ? 139 ILE   B O   1 
ATOM   1341 C CB  . ILE   B 2 130 ? -17.373 -5.510  -20.984 1.00 53.24  ? 139 ILE   B CB  1 
ATOM   1342 C CG1 . ILE   B 2 130 ? -16.255 -4.482  -20.803 1.00 56.19  ? 139 ILE   B CG1 1 
ATOM   1343 C CG2 . ILE   B 2 130 ? -16.917 -6.720  -21.786 1.00 56.22  ? 139 ILE   B CG2 1 
ATOM   1344 C CD1 . ILE   B 2 130 ? -15.294 -4.848  -19.693 1.00 59.07  ? 139 ILE   B CD1 1 
ATOM   1345 N N   . LEU   B 2 131 ? -19.949 -6.289  -23.104 1.00 46.19  ? 140 LEU   B N   1 
ATOM   1346 C CA  . LEU   B 2 131 ? -21.156 -7.016  -23.579 1.00 58.23  ? 140 LEU   B CA  1 
ATOM   1347 C C   . LEU   B 2 131 ? -20.801 -8.385  -24.155 1.00 52.72  ? 140 LEU   B C   1 
ATOM   1348 O O   . LEU   B 2 131 ? -19.874 -8.459  -24.974 1.00 57.13  ? 140 LEU   B O   1 
ATOM   1349 C CB  . LEU   B 2 131 ? -21.837 -6.219  -24.697 1.00 62.53  ? 140 LEU   B CB  1 
ATOM   1350 C CG  . LEU   B 2 131 ? -22.228 -4.780  -24.379 1.00 69.60  ? 140 LEU   B CG  1 
ATOM   1351 C CD1 . LEU   B 2 131 ? -23.102 -4.228  -25.494 1.00 68.30  ? 140 LEU   B CD1 1 
ATOM   1352 C CD2 . LEU   B 2 131 ? -22.946 -4.684  -23.038 1.00 71.60  ? 140 LEU   B CD2 1 
ATOM   1353 N N   . ASP   B 2 132 ? -21.632 -9.368  -23.834 1.00 52.55  ? 141 ASP   B N   1 
ATOM   1354 C CA  . ASP   B 2 132 ? -21.711 -10.668 -24.529 1.00 62.22  ? 141 ASP   B CA  1 
ATOM   1355 C C   . ASP   B 2 132 ? -22.637 -10.497 -25.743 1.00 71.60  ? 141 ASP   B C   1 
ATOM   1356 O O   . ASP   B 2 132 ? -23.264 -9.422  -25.877 1.00 76.43  ? 141 ASP   B O   1 
ATOM   1357 C CB  . ASP   B 2 132 ? -22.127 -11.752 -23.542 1.00 54.57  ? 141 ASP   B CB  1 
ATOM   1358 C CG  . ASP   B 2 132 ? -23.615 -11.823 -23.306 1.00 58.79  ? 141 ASP   B CG  1 
ATOM   1359 O OD1 . ASP   B 2 132 ? -24.342 -11.133 -24.033 1.00 58.07  ? 141 ASP   B OD1 1 
ATOM   1360 O OD2 . ASP   B 2 132 ? -24.033 -12.628 -22.438 1.00 56.85  ? 141 ASP   B OD2 1 
ATOM   1361 N N   . LYS   B 2 133 ? -22.699 -11.520 -26.596 1.00 76.73  ? 142 LYS   B N   1 
ATOM   1362 C CA  . LYS   B 2 133 ? -23.272 -11.456 -27.969 1.00 79.37  ? 142 LYS   B CA  1 
ATOM   1363 C C   . LYS   B 2 133 ? -24.783 -11.285 -27.866 1.00 71.84  ? 142 LYS   B C   1 
ATOM   1364 O O   . LYS   B 2 133 ? -25.339 -10.681 -28.784 1.00 64.26  ? 142 LYS   B O   1 
ATOM   1365 C CB  . LYS   B 2 133 ? -22.903 -12.699 -28.791 1.00 76.67  ? 142 LYS   B CB  1 
ATOM   1366 C CG  . LYS   B 2 133 ? -21.483 -12.673 -29.344 1.00 84.18  ? 142 LYS   B CG  1 
ATOM   1367 C CD  . LYS   B 2 133 ? -20.875 -14.038 -29.626 1.00 88.72  ? 142 LYS   B CD  1 
ATOM   1368 C CE  . LYS   B 2 133 ? -19.405 -13.942 -29.988 1.00 90.07  ? 142 LYS   B CE  1 
ATOM   1369 N NZ  . LYS   B 2 133 ? -18.837 -15.243 -30.420 1.00 90.29  ? 142 LYS   B NZ  1 
ATOM   1370 N N   . CYS   B 2 134 ? -25.387 -11.779 -26.780 1.00 68.17  ? 143 CYS   B N   1 
ATOM   1371 C CA  . CYS   B 2 134 ? -26.829 -11.627 -26.465 1.00 65.07  ? 143 CYS   B CA  1 
ATOM   1372 C C   . CYS   B 2 134 ? -27.146 -10.221 -25.925 1.00 60.06  ? 143 CYS   B C   1 
ATOM   1373 O O   . CYS   B 2 134 ? -28.320 -9.995  -25.601 1.00 66.07  ? 143 CYS   B O   1 
ATOM   1374 C CB  . CYS   B 2 134 ? -27.271 -12.656 -25.436 1.00 64.26  ? 143 CYS   B CB  1 
ATOM   1375 S SG  . CYS   B 2 134 ? -27.752 -14.249 -26.144 1.00 81.86  ? 143 CYS   B SG  1 
ATOM   1376 N N   . GLY   B 2 135 ? -26.160 -9.325  -25.802 1.00 61.08  ? 144 GLY   B N   1 
ATOM   1377 C CA  . GLY   B 2 135 ? -26.345 -7.935  -25.328 1.00 64.59  ? 144 GLY   B CA  1 
ATOM   1378 C C   . GLY   B 2 135 ? -26.334 -7.763  -23.799 1.00 60.34  ? 144 GLY   B C   1 
ATOM   1379 O O   . GLY   B 2 135 ? -26.467 -6.616  -23.347 1.00 65.31  ? 144 GLY   B O   1 
ATOM   1380 N N   . ARG   B 2 136 ? -26.162 -8.823  -23.006 1.00 61.12  ? 145 ARG   B N   1 
ATOM   1381 C CA  . ARG   B 2 136 ? -26.095 -8.740  -21.513 1.00 56.05  ? 145 ARG   B CA  1 
ATOM   1382 C C   . ARG   B 2 136 ? -24.758 -8.154  -21.042 1.00 56.95  ? 145 ARG   B C   1 
ATOM   1383 O O   . ARG   B 2 136 ? -23.709 -8.397  -21.690 1.00 55.00  ? 145 ARG   B O   1 
ATOM   1384 C CB  . ARG   B 2 136 ? -26.349 -10.126 -20.947 1.00 61.55  ? 145 ARG   B CB  1 
ATOM   1385 C CG  . ARG   B 2 136 ? -27.786 -10.568 -21.172 1.00 73.21  ? 145 ARG   B CG  1 
ATOM   1386 C CD  . ARG   B 2 136 ? -27.975 -12.018 -20.793 1.00 80.40  ? 145 ARG   B CD  1 
ATOM   1387 N NE  . ARG   B 2 136 ? -27.044 -12.821 -21.573 1.00 91.47  ? 145 ARG   B NE  1 
ATOM   1388 C CZ  . ARG   B 2 136 ? -26.425 -13.915 -21.147 1.00 96.66  ? 145 ARG   B CZ  1 
ATOM   1389 N NH1 . ARG   B 2 136 ? -26.616 -14.365 -19.916 1.00 100.92 ? 145 ARG   B NH1 1 
ATOM   1390 N NH2 . ARG   B 2 136 ? -25.599 -14.551 -21.960 1.00 95.20  ? 145 ARG   B NH2 1 
ATOM   1391 N N   . VAL   B 2 137 ? -24.781 -7.364  -19.962 1.00 51.55  ? 146 VAL   B N   1 
ATOM   1392 C CA  . VAL   B 2 137 ? -23.547 -6.721  -19.412 1.00 56.46  ? 146 VAL   B CA  1 
ATOM   1393 C C   . VAL   B 2 137 ? -22.852 -7.747  -18.498 1.00 55.61  ? 146 VAL   B C   1 
ATOM   1394 O O   . VAL   B 2 137 ? -23.481 -8.217  -17.532 1.00 55.56  ? 146 VAL   B O   1 
ATOM   1395 C CB  . VAL   B 2 137 ? -23.853 -5.405  -18.676 1.00 49.10  ? 146 VAL   B CB  1 
ATOM   1396 C CG1 . VAL   B 2 137 ? -22.587 -4.705  -18.236 1.00 51.18  ? 146 VAL   B CG1 1 
ATOM   1397 C CG2 . VAL   B 2 137 ? -24.691 -4.463  -19.533 1.00 58.77  ? 146 VAL   B CG2 1 
ATOM   1398 N N   . ILE   B 2 138 ? -21.612 -8.094  -18.825 1.00 53.98  ? 147 ILE   B N   1 
ATOM   1399 C CA  . ILE   B 2 138 ? -20.784 -9.118  -18.111 1.00 51.26  ? 147 ILE   B CA  1 
ATOM   1400 C C   . ILE   B 2 138 ? -19.730 -8.384  -17.245 1.00 52.90  ? 147 ILE   B C   1 
ATOM   1401 O O   . ILE   B 2 138 ? -18.979 -9.044  -16.482 1.00 48.93  ? 147 ILE   B O   1 
ATOM   1402 C CB  . ILE   B 2 138 ? -20.184 -10.092 -19.152 1.00 50.56  ? 147 ILE   B CB  1 
ATOM   1403 C CG1 . ILE   B 2 138 ? -19.339 -9.362  -20.195 1.00 52.02  ? 147 ILE   B CG1 1 
ATOM   1404 C CG2 . ILE   B 2 138 ? -21.266 -10.911 -19.822 1.00 49.56  ? 147 ILE   B CG2 1 
ATOM   1405 C CD1 . ILE   B 2 138 ? -18.635 -10.283 -21.156 1.00 62.30  ? 147 ILE   B CD1 1 
ATOM   1406 N N   . GLY   B 2 139 ? -19.691 -7.047  -17.306 1.00 46.94  ? 148 GLY   B N   1 
ATOM   1407 C CA  . GLY   B 2 139 ? -18.964 -6.227  -16.325 1.00 43.91  ? 148 GLY   B CA  1 
ATOM   1408 C C   . GLY   B 2 139 ? -18.584 -4.881  -16.879 1.00 44.37  ? 148 GLY   B C   1 
ATOM   1409 O O   . GLY   B 2 139 ? -19.023 -4.578  -17.984 1.00 49.11  ? 148 GLY   B O   1 
ATOM   1410 N N   . LEU   B 2 140 ? -17.789 -4.123  -16.130 1.00 42.65  ? 149 LEU   B N   1 
ATOM   1411 C CA  . LEU   B 2 140 ? -17.470 -2.705  -16.394 1.00 46.96  ? 149 LEU   B CA  1 
ATOM   1412 C C   . LEU   B 2 140 ? -15.980 -2.605  -16.600 1.00 45.54  ? 149 LEU   B C   1 
ATOM   1413 O O   . LEU   B 2 140 ? -15.261 -3.230  -15.831 1.00 45.26  ? 149 LEU   B O   1 
ATOM   1414 C CB  . LEU   B 2 140 ? -17.874 -1.799  -15.217 1.00 47.39  ? 149 LEU   B CB  1 
ATOM   1415 C CG  . LEU   B 2 140 ? -19.354 -1.785  -14.816 1.00 49.70  ? 149 LEU   B CG  1 
ATOM   1416 C CD1 . LEU   B 2 140 ? -19.638 -0.664  -13.816 1.00 48.60  ? 149 LEU   B CD1 1 
ATOM   1417 C CD2 . LEU   B 2 140 ? -20.279 -1.686  -16.018 1.00 47.91  ? 149 LEU   B CD2 1 
ATOM   1418 N N   . TYR   B 2 141 ? -15.597 -1.827  -17.611 1.00 44.59  ? 150 TYR   B N   1 
ATOM   1419 C CA  . TYR   B 2 141 ? -14.218 -1.464  -18.015 1.00 51.65  ? 150 TYR   B CA  1 
ATOM   1420 C C   . TYR   B 2 141 ? -13.785 -0.278  -17.172 1.00 47.28  ? 150 TYR   B C   1 
ATOM   1421 O O   . TYR   B 2 141 ? -14.645 0.598   -16.978 1.00 52.23  ? 150 TYR   B O   1 
ATOM   1422 C CB  . TYR   B 2 141 ? -14.231 -1.082  -19.509 1.00 57.19  ? 150 TYR   B CB  1 
ATOM   1423 C CG  . TYR   B 2 141 ? -13.030 -0.323  -20.027 1.00 57.26  ? 150 TYR   B CG  1 
ATOM   1424 C CD1 . TYR   B 2 141 ? -12.982 1.065   -20.018 1.00 58.10  ? 150 TYR   B CD1 1 
ATOM   1425 C CD2 . TYR   B 2 141 ? -11.945 -1.003  -20.569 1.00 54.29  ? 150 TYR   B CD2 1 
ATOM   1426 C CE1 . TYR   B 2 141 ? -11.869 1.756   -20.490 1.00 65.67  ? 150 TYR   B CE1 1 
ATOM   1427 C CE2 . TYR   B 2 141 ? -10.826 -0.333  -21.037 1.00 56.11  ? 150 TYR   B CE2 1 
ATOM   1428 C CZ  . TYR   B 2 141 ? -10.790 1.052   -21.016 1.00 67.01  ? 150 TYR   B CZ  1 
ATOM   1429 O OH  . TYR   B 2 141 ? -9.678  1.686   -21.498 1.00 63.70  ? 150 TYR   B OH  1 
ATOM   1430 N N   . GLY   B 2 142 ? -12.527 -0.216  -16.740 1.00 46.81  ? 151 GLY   B N   1 
ATOM   1431 C CA  . GLY   B 2 142 ? -11.973 0.999   -16.125 1.00 49.47  ? 151 GLY   B CA  1 
ATOM   1432 C C   . GLY   B 2 142 ? -11.234 0.769   -14.827 1.00 56.50  ? 151 GLY   B C   1 
ATOM   1433 O O   . GLY   B 2 142 ? -10.811 1.804   -14.221 1.00 53.68  ? 151 GLY   B O   1 
ATOM   1434 N N   . ASN   B 2 143 ? -11.085 -0.491  -14.380 1.00 59.17  ? 152 ASN   B N   1 
ATOM   1435 C CA  . ASN   B 2 143 ? -10.152 -0.853  -13.271 1.00 56.84  ? 152 ASN   B CA  1 
ATOM   1436 C C   . ASN   B 2 143 ? -9.211  -1.974  -13.739 1.00 48.39  ? 152 ASN   B C   1 
ATOM   1437 O O   . ASN   B 2 143 ? -9.705  -2.976  -14.203 1.00 48.56  ? 152 ASN   B O   1 
ATOM   1438 C CB  . ASN   B 2 143 ? -10.866 -1.269  -11.985 1.00 55.29  ? 152 ASN   B CB  1 
ATOM   1439 C CG  . ASN   B 2 143 ? -9.907  -1.339  -10.815 1.00 54.23  ? 152 ASN   B CG  1 
ATOM   1440 O OD1 . ASN   B 2 143 ? -8.975  -0.539  -10.721 1.00 51.34  ? 152 ASN   B OD1 1 
ATOM   1441 N ND2 . ASN   B 2 143 ? -10.145 -2.264  -9.895  1.00 52.12  ? 152 ASN   B ND2 1 
ATOM   1442 N N   . GLY   B 2 144 ? -7.915  -1.857  -13.477 1.00 52.49  ? 153 GLY   B N   1 
ATOM   1443 C CA  . GLY   B 2 144 ? -6.871  -2.664  -14.129 1.00 54.93  ? 153 GLY   B CA  1 
ATOM   1444 C C   . GLY   B 2 144 ? -5.518  -1.988  -14.075 1.00 48.87  ? 153 GLY   B C   1 
ATOM   1445 O O   . GLY   B 2 144 ? -5.235  -1.271  -13.102 1.00 47.84  ? 153 GLY   B O   1 
ATOM   1446 N N   . VAL   B 2 145 ? -4.707  -2.194  -15.112 1.00 58.48  ? 154 VAL   B N   1 
ATOM   1447 C CA  . VAL   B 2 145 ? -3.227  -2.096  -14.986 1.00 63.07  ? 154 VAL   B CA  1 
ATOM   1448 C C   . VAL   B 2 145 ? -2.601  -1.559  -16.285 1.00 69.27  ? 154 VAL   B C   1 
ATOM   1449 O O   . VAL   B 2 145 ? -3.228  -1.692  -17.361 1.00 69.21  ? 154 VAL   B O   1 
ATOM   1450 C CB  . VAL   B 2 145 ? -2.710  -3.487  -14.575 1.00 62.37  ? 154 VAL   B CB  1 
ATOM   1451 C CG1 . VAL   B 2 145 ? -2.661  -4.440  -15.749 1.00 61.71  ? 154 VAL   B CG1 1 
ATOM   1452 C CG2 . VAL   B 2 145 ? -1.376  -3.411  -13.864 1.00 66.35  ? 154 VAL   B CG2 1 
ATOM   1453 N N   . VAL   B 2 146 ? -1.428  -0.930  -16.144 1.00 72.33  ? 155 VAL   B N   1 
ATOM   1454 C CA  . VAL   B 2 146 ? -0.524  -0.441  -17.228 1.00 72.94  ? 155 VAL   B CA  1 
ATOM   1455 C C   . VAL   B 2 146 ? 0.597   -1.479  -17.431 1.00 79.79  ? 155 VAL   B C   1 
ATOM   1456 O O   . VAL   B 2 146 ? 1.241   -1.868  -16.416 1.00 70.39  ? 155 VAL   B O   1 
ATOM   1457 C CB  . VAL   B 2 146 ? 0.039   0.945   -16.867 1.00 68.70  ? 155 VAL   B CB  1 
ATOM   1458 C CG1 . VAL   B 2 146 ? 1.002   1.465   -17.918 1.00 79.33  ? 155 VAL   B CG1 1 
ATOM   1459 C CG2 . VAL   B 2 146 ? -1.070  1.946   -16.621 1.00 62.42  ? 155 VAL   B CG2 1 
ATOM   1460 N N   . ILE   B 2 147 ? 0.806   -1.926  -18.680 1.00 79.40  ? 156 ILE   B N   1 
ATOM   1461 C CA  . ILE   B 2 147 ? 1.738   -3.038  -19.040 1.00 73.55  ? 156 ILE   B CA  1 
ATOM   1462 C C   . ILE   B 2 147 ? 3.019   -2.451  -19.635 1.00 82.07  ? 156 ILE   B C   1 
ATOM   1463 O O   . ILE   B 2 147 ? 3.006   -1.231  -19.941 1.00 70.52  ? 156 ILE   B O   1 
ATOM   1464 C CB  . ILE   B 2 147 ? 1.089   -4.054  -20.001 1.00 77.26  ? 156 ILE   B CB  1 
ATOM   1465 C CG1 . ILE   B 2 147 ? 0.575   -3.417  -21.300 1.00 83.34  ? 156 ILE   B CG1 1 
ATOM   1466 C CG2 . ILE   B 2 147 ? 0.012   -4.846  -19.278 1.00 79.97  ? 156 ILE   B CG2 1 
ATOM   1467 C CD1 . ILE   B 2 147 ? 0.357   -4.418  -22.436 1.00 76.73  ? 156 ILE   B CD1 1 
ATOM   1468 N N   . LYS   B 2 148 ? 4.055   -3.304  -19.772 1.00 88.36  ? 157 LYS   B N   1 
ATOM   1469 C CA  . LYS   B 2 148 ? 5.414   -3.000  -20.310 1.00 92.66  ? 157 LYS   B CA  1 
ATOM   1470 C C   . LYS   B 2 148 ? 5.330   -1.827  -21.281 1.00 91.86  ? 157 LYS   B C   1 
ATOM   1471 O O   . LYS   B 2 148 ? 5.924   -0.772  -20.985 1.00 95.25  ? 157 LYS   B O   1 
ATOM   1472 C CB  . LYS   B 2 148 ? 6.003   -4.199  -21.062 1.00 98.47  ? 157 LYS   B CB  1 
ATOM   1473 C CG  . LYS   B 2 148 ? 6.737   -5.217  -20.199 1.00 112.67 ? 157 LYS   B CG  1 
ATOM   1474 C CD  . LYS   B 2 148 ? 7.787   -6.026  -20.951 1.00 117.30 ? 157 LYS   B CD  1 
ATOM   1475 C CE  . LYS   B 2 148 ? 9.129   -5.328  -21.067 1.00 118.28 ? 157 LYS   B CE  1 
ATOM   1476 N NZ  . LYS   B 2 148 ? 9.925   -5.437  -19.820 1.00 114.94 ? 157 LYS   B NZ  1 
ATOM   1477 N N   . ASN   B 2 149 ? 4.553   -2.019  -22.353 1.00 92.30  ? 158 ASN   B N   1 
ATOM   1478 C CA  . ASN   B 2 149 ? 4.437   -1.132  -23.546 1.00 93.43  ? 158 ASN   B CA  1 
ATOM   1479 C C   . ASN   B 2 149 ? 4.129   0.311   -23.120 1.00 91.85  ? 158 ASN   B C   1 
ATOM   1480 O O   . ASN   B 2 149 ? 4.453   1.225   -23.891 1.00 92.77  ? 158 ASN   B O   1 
ATOM   1481 C CB  . ASN   B 2 149 ? 3.355   -1.597  -24.537 1.00 94.31  ? 158 ASN   B CB  1 
ATOM   1482 C CG  . ASN   B 2 149 ? 3.002   -3.073  -24.471 1.00 91.66  ? 158 ASN   B CG  1 
ATOM   1483 O OD1 . ASN   B 2 149 ? 3.447   -3.800  -23.582 1.00 100.51 ? 158 ASN   B OD1 1 
ATOM   1484 N ND2 . ASN   B 2 149 ? 2.192   -3.534  -25.410 1.00 90.94  ? 158 ASN   B ND2 1 
ATOM   1485 N N   . GLY   B 2 150 ? 3.492   0.503   -21.960 1.00 94.23  ? 159 GLY   B N   1 
ATOM   1486 C CA  . GLY   B 2 150 ? 2.879   1.785   -21.548 1.00 88.88  ? 159 GLY   B CA  1 
ATOM   1487 C C   . GLY   B 2 150 ? 1.372   1.813   -21.770 1.00 81.15  ? 159 GLY   B C   1 
ATOM   1488 O O   . GLY   B 2 150 ? 0.708   2.751   -21.303 1.00 70.05  ? 159 GLY   B O   1 
ATOM   1489 N N   A SER   B 2 151 ? 0.842   0.802   -22.469 0.25 82.90  ? 160 SER   B N   1 
ATOM   1490 N N   B SER   B 2 151 ? 0.847   0.799   -22.467 0.25 81.12  ? 160 SER   B N   1 
ATOM   1491 N N   C SER   B 2 151 ? 0.842   0.802   -22.469 0.25 82.90  ? 160 SER   B N   1 
ATOM   1492 N N   D SER   B 2 151 ? 0.847   0.799   -22.467 0.25 81.12  ? 160 SER   B N   1 
ATOM   1493 C CA  A SER   B 2 151 ? -0.601  0.651   -22.790 0.25 82.45  ? 160 SER   B CA  1 
ATOM   1494 C CA  B SER   B 2 151 ? -0.593  0.623   -22.787 0.25 79.63  ? 160 SER   B CA  1 
ATOM   1495 C CA  C SER   B 2 151 ? -0.601  0.651   -22.790 0.25 82.45  ? 160 SER   B CA  1 
ATOM   1496 C CA  D SER   B 2 151 ? -0.593  0.623   -22.787 0.25 79.63  ? 160 SER   B CA  1 
ATOM   1497 C C   A SER   B 2 151 ? -1.355  0.176   -21.544 0.25 81.68  ? 160 SER   B C   1 
ATOM   1498 C C   B SER   B 2 151 ? -1.353  0.182   -21.533 0.25 80.03  ? 160 SER   B C   1 
ATOM   1499 C C   C SER   B 2 151 ? -1.355  0.176   -21.544 0.25 81.68  ? 160 SER   B C   1 
ATOM   1500 C C   D SER   B 2 151 ? -1.353  0.182   -21.533 0.25 80.03  ? 160 SER   B C   1 
ATOM   1501 O O   A SER   B 2 151 ? -0.712  -0.368  -20.624 0.25 80.68  ? 160 SER   B O   1 
ATOM   1502 O O   B SER   B 2 151 ? -0.713  -0.334  -20.595 0.25 79.13  ? 160 SER   B O   1 
ATOM   1503 O O   C SER   B 2 151 ? -0.712  -0.368  -20.624 0.25 80.68  ? 160 SER   B O   1 
ATOM   1504 O O   D SER   B 2 151 ? -0.713  -0.334  -20.595 0.25 79.13  ? 160 SER   B O   1 
ATOM   1505 C CB  A SER   B 2 151 ? -0.803  -0.291  -23.951 0.25 83.99  ? 160 SER   B CB  1 
ATOM   1506 C CB  B SER   B 2 151 ? -0.773  -0.364  -23.911 0.25 79.17  ? 160 SER   B CB  1 
ATOM   1507 C CB  C SER   B 2 151 ? -0.803  -0.291  -23.951 0.25 83.99  ? 160 SER   B CB  1 
ATOM   1508 C CB  D SER   B 2 151 ? -0.773  -0.364  -23.911 0.25 79.17  ? 160 SER   B CB  1 
ATOM   1509 O OG  A SER   B 2 151 ? -2.041  -0.038  -24.601 0.25 83.70  ? 160 SER   B OG  1 
ATOM   1510 O OG  B SER   B 2 151 ? 0.084   -1.484  -23.741 0.25 74.98  ? 160 SER   B OG  1 
ATOM   1511 O OG  C SER   B 2 151 ? -2.041  -0.038  -24.601 0.25 83.70  ? 160 SER   B OG  1 
ATOM   1512 O OG  D SER   B 2 151 ? 0.084   -1.484  -23.741 0.25 74.98  ? 160 SER   B OG  1 
ATOM   1513 N N   . TYR   B 2 152 ? -2.675  0.360   -21.541 1.00 79.76  ? 161 TYR   B N   1 
ATOM   1514 C CA  . TYR   B 2 152 ? -3.550  0.076   -20.385 1.00 77.87  ? 161 TYR   B CA  1 
ATOM   1515 C C   . TYR   B 2 152 ? -4.394  -1.191  -20.640 1.00 65.48  ? 161 TYR   B C   1 
ATOM   1516 O O   . TYR   B 2 152 ? -4.971  -1.339  -21.713 1.00 62.39  ? 161 TYR   B O   1 
ATOM   1517 C CB  . TYR   B 2 152 ? -4.344  1.361   -20.143 1.00 81.21  ? 161 TYR   B CB  1 
ATOM   1518 C CG  . TYR   B 2 152 ? -5.450  1.137   -19.167 1.00 73.52  ? 161 TYR   B CG  1 
ATOM   1519 C CD1 . TYR   B 2 152 ? -5.215  1.263   -17.815 1.00 70.47  ? 161 TYR   B CD1 1 
ATOM   1520 C CD2 . TYR   B 2 152 ? -6.681  0.690   -19.602 1.00 70.14  ? 161 TYR   B CD2 1 
ATOM   1521 C CE1 . TYR   B 2 152 ? -6.203  0.977   -16.902 1.00 63.97  ? 161 TYR   B CE1 1 
ATOM   1522 C CE2 . TYR   B 2 152 ? -7.691  0.430   -18.704 1.00 72.83  ? 161 TYR   B CE2 1 
ATOM   1523 C CZ  . TYR   B 2 152 ? -7.443  0.561   -17.352 1.00 65.97  ? 161 TYR   B CZ  1 
ATOM   1524 O OH  . TYR   B 2 152 ? -8.463  0.271   -16.505 1.00 68.43  ? 161 TYR   B OH  1 
ATOM   1525 N N   . VAL   B 2 153 ? -4.480  -2.084  -19.647 1.00 57.65  ? 162 VAL   B N   1 
ATOM   1526 C CA  . VAL   B 2 153 ? -5.347  -3.298  -19.692 1.00 53.94  ? 162 VAL   B CA  1 
ATOM   1527 C C   . VAL   B 2 153 ? -6.299  -3.272  -18.496 1.00 53.67  ? 162 VAL   B C   1 
ATOM   1528 O O   . VAL   B 2 153 ? -5.808  -3.165  -17.381 1.00 48.53  ? 162 VAL   B O   1 
ATOM   1529 C CB  . VAL   B 2 153 ? -4.520  -4.599  -19.700 1.00 55.97  ? 162 VAL   B CB  1 
ATOM   1530 C CG1 . VAL   B 2 153 ? -5.391  -5.798  -20.066 1.00 52.13  ? 162 VAL   B CG1 1 
ATOM   1531 C CG2 . VAL   B 2 153 ? -3.335  -4.488  -20.645 1.00 56.73  ? 162 VAL   B CG2 1 
ATOM   1532 N N   . SER   B 2 154 ? -7.602  -3.379  -18.743 1.00 51.48  ? 163 SER   B N   1 
ATOM   1533 C CA  . SER   B 2 154 ? -8.658  -3.306  -17.708 1.00 53.46  ? 163 SER   B CA  1 
ATOM   1534 C C   . SER   B 2 154 ? -9.193  -4.701  -17.437 1.00 46.37  ? 163 SER   B C   1 
ATOM   1535 O O   . SER   B 2 154 ? -9.422  -5.420  -18.410 1.00 48.85  ? 163 SER   B O   1 
ATOM   1536 C CB  . SER   B 2 154 ? -9.820  -2.409  -18.125 1.00 58.39  ? 163 SER   B CB  1 
ATOM   1537 O OG  . SER   B 2 154 ? -10.976 -2.665  -17.307 1.00 48.57  ? 163 SER   B OG  1 
ATOM   1538 N N   . ALA   B 2 155 ? -9.535  -4.987  -16.180 1.00 48.72  ? 164 ALA   B N   1 
ATOM   1539 C CA  . ALA   B 2 155 ? -10.413 -6.124  -15.808 1.00 40.48  ? 164 ALA   B CA  1 
ATOM   1540 C C   . ALA   B 2 155 ? -11.816 -5.935  -16.389 1.00 48.80  ? 164 ALA   B C   1 
ATOM   1541 O O   . ALA   B 2 155 ? -12.271 -4.778  -16.565 1.00 50.41  ? 164 ALA   B O   1 
ATOM   1542 C CB  . ALA   B 2 155 ? -10.489 -6.283  -14.309 1.00 47.39  ? 164 ALA   B CB  1 
ATOM   1543 N N   . ILE   B 2 156 ? -12.468 -7.067  -16.655 1.00 47.26  ? 165 ILE   B N   1 
ATOM   1544 C CA  . ILE   B 2 156 ? -13.939 -7.221  -16.704 1.00 46.89  ? 165 ILE   B CA  1 
ATOM   1545 C C   . ILE   B 2 156 ? -14.385 -7.370  -15.244 1.00 47.96  ? 165 ILE   B C   1 
ATOM   1546 O O   . ILE   B 2 156 ? -14.334 -8.496  -14.744 1.00 52.69  ? 165 ILE   B O   1 
ATOM   1547 C CB  . ILE   B 2 156 ? -14.333 -8.439  -17.553 1.00 49.54  ? 165 ILE   B CB  1 
ATOM   1548 C CG1 . ILE   B 2 156 ? -13.657 -8.452  -18.927 1.00 54.04  ? 165 ILE   B CG1 1 
ATOM   1549 C CG2 . ILE   B 2 156 ? -15.847 -8.567  -17.682 1.00 55.43  ? 165 ILE   B CG2 1 
ATOM   1550 C CD1 . ILE   B 2 156 ? -13.840 -9.771  -19.665 1.00 55.64  ? 165 ILE   B CD1 1 
ATOM   1551 N N   . THR   B 2 157 ? -14.764 -6.260  -14.594 1.00 52.61  ? 166 THR   B N   1 
ATOM   1552 C CA  . THR   B 2 157 ? -15.251 -6.163  -13.184 1.00 45.70  ? 166 THR   B CA  1 
ATOM   1553 C C   . THR   B 2 157 ? -16.771 -6.347  -13.168 1.00 48.85  ? 166 THR   B C   1 
ATOM   1554 O O   . THR   B 2 157 ? -17.435 -5.474  -13.738 1.00 45.45  ? 166 THR   B O   1 
ATOM   1555 C CB  . THR   B 2 157 ? -14.889 -4.804  -12.586 1.00 49.01  ? 166 THR   B CB  1 
ATOM   1556 O OG1 . THR   B 2 157 ? -13.480 -4.635  -12.739 1.00 45.38  ? 166 THR   B OG1 1 
ATOM   1557 C CG2 . THR   B 2 157 ? -15.302 -4.644  -11.135 1.00 50.07  ? 166 THR   B CG2 1 
ATOM   1558 N N   . GLN   B 2 158 ? -17.260 -7.451  -12.581 1.00 43.02  ? 167 GLN   B N   1 
ATOM   1559 C CA  . GLN   B 2 158 ? -18.691 -7.825  -12.392 1.00 45.45  ? 167 GLN   B CA  1 
ATOM   1560 C C   . GLN   B 2 158 ? -19.001 -7.940  -10.889 1.00 48.17  ? 167 GLN   B C   1 
ATOM   1561 O O   . GLN   B 2 158 ? -18.146 -8.360  -10.127 1.00 53.35  ? 167 GLN   B O   1 
ATOM   1562 C CB  . GLN   B 2 158 ? -18.975 -9.141  -13.114 1.00 41.79  ? 167 GLN   B CB  1 
ATOM   1563 C CG  . GLN   B 2 158 ? -20.453 -9.524  -13.261 1.00 49.40  ? 167 GLN   B CG  1 
ATOM   1564 C CD  . GLN   B 2 158 ? -21.381 -8.419  -13.743 1.00 48.18  ? 167 GLN   B CD  1 
ATOM   1565 O OE1 . GLN   B 2 158 ? -21.409 -7.310  -13.208 1.00 44.42  ? 167 GLN   B OE1 1 
ATOM   1566 N NE2 . GLN   B 2 158 ? -22.187 -8.728  -14.738 1.00 43.12  ? 167 GLN   B NE2 1 
ATOM   1567 N N   . GLY   B 2 159 ? -20.172 -7.502  -10.461 1.00 56.15  ? 168 GLY   B N   1 
ATOM   1568 C CA  . GLY   B 2 159 ? -20.603 -7.614  -9.060  1.00 62.42  ? 168 GLY   B CA  1 
ATOM   1569 C C   . GLY   B 2 159 ? -21.429 -8.862  -8.891  1.00 63.47  ? 168 GLY   B C   1 
ATOM   1570 O O   . GLY   B 2 159 ? -21.624 -9.552  -9.890  1.00 64.20  ? 168 GLY   B O   1 
ATOM   1571 N N   . LYS   B 2 160 ? -21.864 -9.156  -7.668  1.00 75.55  ? 169 LYS   B N   1 
ATOM   1572 C CA  . LYS   B 2 160 ? -22.713 -10.336 -7.362  1.00 80.19  ? 169 LYS   B CA  1 
ATOM   1573 C C   . LYS   B 2 160 ? -24.145 -9.848  -7.129  1.00 88.55  ? 169 LYS   B C   1 
ATOM   1574 O O   . LYS   B 2 160 ? -24.328 -8.861  -6.388  1.00 97.38  ? 169 LYS   B O   1 
ATOM   1575 C CB  . LYS   B 2 160 ? -22.155 -11.098 -6.156  1.00 86.23  ? 169 LYS   B CB  1 
ATOM   1576 C CG  . LYS   B 2 160 ? -22.852 -12.421 -5.854  1.00 91.11  ? 169 LYS   B CG  1 
ATOM   1577 C CD  . LYS   B 2 160 ? -22.777 -12.834 -4.400  1.00 94.43  ? 169 LYS   B CD  1 
ATOM   1578 C CE  . LYS   B 2 160 ? -23.776 -13.916 -4.059  1.00 102.94 ? 169 LYS   B CE  1 
ATOM   1579 N NZ  . LYS   B 2 160 ? -23.742 -14.237 -2.615  1.00 106.16 ? 169 LYS   B NZ  1 
ATOM   1580 N N   . ARG   B 2 161 ? -25.119 -10.510 -7.752  1.00 91.40  ? 170 ARG   B N   1 
ATOM   1581 C CA  . ARG   B 2 161 ? -26.565 -10.194 -7.615  1.00 93.85  ? 170 ARG   B CA  1 
ATOM   1582 C C   . ARG   B 2 161 ? -27.128 -11.087 -6.498  1.00 99.49  ? 170 ARG   B C   1 
ATOM   1583 O O   . ARG   B 2 161 ? -26.600 -12.200 -6.312  1.00 104.87 ? 170 ARG   B O   1 
ATOM   1584 C CB  . ARG   B 2 161 ? -27.227 -10.369 -8.988  1.00 87.20  ? 170 ARG   B CB  1 
ATOM   1585 C CG  . ARG   B 2 161 ? -28.669 -9.898  -9.082  1.00 82.19  ? 170 ARG   B CG  1 
ATOM   1586 C CD  . ARG   B 2 161 ? -29.356 -10.423 -10.329 1.00 81.56  ? 170 ARG   B CD  1 
ATOM   1587 N NE  . ARG   B 2 161 ? -30.791 -10.170 -10.263 1.00 89.72  ? 170 ARG   B NE  1 
ATOM   1588 C CZ  . ARG   B 2 161 ? -31.475 -9.306  -11.018 1.00 87.11  ? 170 ARG   B CZ  1 
ATOM   1589 N NH1 . ARG   B 2 161 ? -30.876 -8.581  -11.951 1.00 74.75  ? 170 ARG   B NH1 1 
ATOM   1590 N NH2 . ARG   B 2 161 ? -32.778 -9.180  -10.832 1.00 88.83  ? 170 ARG   B NH2 1 
ATOM   1591 N N   . GLU   B 2 162 ? -28.135 -10.606 -5.761  1.00 103.01 ? 171 GLU   B N   1 
ATOM   1592 C CA  . GLU   B 2 162 ? -28.725 -11.304 -4.584  1.00 97.46  ? 171 GLU   B CA  1 
ATOM   1593 C C   . GLU   B 2 162 ? -30.022 -12.005 -5.008  1.00 90.49  ? 171 GLU   B C   1 
ATOM   1594 O O   . GLU   B 2 162 ? -30.600 -12.759 -4.224  1.00 96.74  ? 171 GLU   B O   1 
ATOM   1595 C CB  . GLU   B 2 162 ? -28.974 -10.308 -3.449  1.00 105.64 ? 171 GLU   B CB  1 
ATOM   1596 C CG  . GLU   B 2 162 ? -27.740 -9.524  -3.020  1.00 103.14 ? 171 GLU   B CG  1 
ATOM   1597 C CD  . GLU   B 2 162 ? -26.699 -10.333 -2.267  1.00 104.96 ? 171 GLU   B CD  1 
ATOM   1598 O OE1 . GLU   B 2 162 ? -26.617 -10.169 -1.034  1.00 101.36 ? 171 GLU   B OE1 1 
ATOM   1599 O OE2 . GLU   B 2 162 ? -25.970 -11.120 -2.917  1.00 115.99 ? 171 GLU   B OE2 1 
HETATM 1600 S S   A DMS   C 3 .   ? -8.796  4.448   -17.821 0.18 58.44  ? 201 DMS   B S   1 
HETATM 1601 S S   B DMS   C 3 .   ? -8.796  4.448   -17.821 0.18 58.44  ? 201 DMS   B S   1 
HETATM 1602 O O   A DMS   C 3 .   ? -7.505  3.963   -18.408 0.18 57.75  ? 201 DMS   B O   1 
HETATM 1603 O O   B DMS   C 3 .   ? -7.505  3.963   -18.408 0.18 57.75  ? 201 DMS   B O   1 
HETATM 1604 C C1  A DMS   C 3 .   ? -8.688  4.177   -16.073 0.18 55.81  ? 201 DMS   B C1  1 
HETATM 1605 C C1  B DMS   C 3 .   ? -8.688  4.177   -16.073 0.18 55.81  ? 201 DMS   B C1  1 
HETATM 1606 C C2  A DMS   C 3 .   ? -9.998  3.211   -18.193 0.18 57.96  ? 201 DMS   B C2  1 
HETATM 1607 C C2  B DMS   C 3 .   ? -9.998  3.211   -18.193 0.18 57.96  ? 201 DMS   B C2  1 
HETATM 1608 S S   . DMS   D 3 .   ? -18.572 11.185  -0.116  1.00 89.35  ? 202 DMS   B S   1 
HETATM 1609 O O   . DMS   D 3 .   ? -18.806 9.699   -0.179  1.00 75.84  ? 202 DMS   B O   1 
HETATM 1610 C C1  . DMS   D 3 .   ? -19.935 11.954  -0.940  1.00 78.65  ? 202 DMS   B C1  1 
HETATM 1611 C C2  . DMS   D 3 .   ? -17.313 11.564  -1.316  1.00 81.87  ? 202 DMS   B C2  1 
HETATM 1612 S S   A DMS   E 3 .   ? -6.968  2.156   -13.158 0.18 106.22 ? 203 DMS   B S   1 
HETATM 1613 S S   B DMS   E 3 .   ? -6.968  2.156   -13.158 0.18 106.22 ? 203 DMS   B S   1 
HETATM 1614 O O   A DMS   E 3 .   ? -6.717  0.725   -12.793 0.18 102.58 ? 203 DMS   B O   1 
HETATM 1615 O O   B DMS   E 3 .   ? -6.717  0.725   -12.793 0.18 102.58 ? 203 DMS   B O   1 
HETATM 1616 C C1  A DMS   E 3 .   ? -8.128  2.766   -11.958 0.18 108.10 ? 203 DMS   B C1  1 
HETATM 1617 C C1  B DMS   E 3 .   ? -8.128  2.766   -11.958 0.18 108.10 ? 203 DMS   B C1  1 
HETATM 1618 C C2  A DMS   E 3 .   ? -5.537  3.060   -12.623 0.18 101.68 ? 203 DMS   B C2  1 
HETATM 1619 C C2  B DMS   E 3 .   ? -5.537  3.060   -12.623 0.18 101.68 ? 203 DMS   B C2  1 
HETATM 1620 N N1  C A1BHA F 4 .   ? -4.662  6.031   -20.046 0.32 88.12  ? 204 A1BHA B N1  1 
HETATM 1621 N N1  D A1BHA F 4 .   ? -4.662  6.031   -20.046 0.32 88.12  ? 204 A1BHA B N1  1 
HETATM 1622 N N3  C A1BHA F 4 .   ? -7.809  5.421   -13.834 0.32 82.30  ? 204 A1BHA B N3  1 
HETATM 1623 N N3  D A1BHA F 4 .   ? -7.809  5.421   -13.834 0.32 82.30  ? 204 A1BHA B N3  1 
HETATM 1624 C C4  C A1BHA F 4 .   ? -7.508  5.132   -15.112 0.32 83.15  ? 204 A1BHA B C4  1 
HETATM 1625 C C4  D A1BHA F 4 .   ? -7.508  5.132   -15.112 0.32 83.15  ? 204 A1BHA B C4  1 
HETATM 1626 C C5  C A1BHA F 4 .   ? -7.017  6.261   -15.968 0.32 85.26  ? 204 A1BHA B C5  1 
HETATM 1627 C C5  D A1BHA F 4 .   ? -7.017  6.261   -15.968 0.32 85.26  ? 204 A1BHA B C5  1 
HETATM 1628 C C6  C A1BHA F 4 .   ? -5.881  5.757   -18.040 0.32 85.86  ? 204 A1BHA B C6  1 
HETATM 1629 C C6  D A1BHA F 4 .   ? -5.881  5.757   -18.040 0.32 85.86  ? 204 A1BHA B C6  1 
HETATM 1630 C C7  C A1BHA F 4 .   ? -4.709  6.039   -18.714 0.32 87.08  ? 204 A1BHA B C7  1 
HETATM 1631 C C7  D A1BHA F 4 .   ? -4.709  6.039   -18.714 0.32 87.08  ? 204 A1BHA B C7  1 
HETATM 1632 C C8  C A1BHA F 4 .   ? -5.795  5.741   -20.675 0.32 88.27  ? 204 A1BHA B C8  1 
HETATM 1633 C C8  D A1BHA F 4 .   ? -5.795  5.741   -20.675 0.32 88.27  ? 204 A1BHA B C8  1 
HETATM 1634 C C10 C A1BHA F 4 .   ? -8.238  4.407   -13.045 0.32 81.09  ? 204 A1BHA B C10 1 
HETATM 1635 C C10 D A1BHA F 4 .   ? -8.238  4.407   -13.045 0.32 81.09  ? 204 A1BHA B C10 1 
HETATM 1636 C C13 C A1BHA F 4 .   ? -8.418  5.767   -9.578  0.32 75.40  ? 204 A1BHA B C13 1 
HETATM 1637 C C13 D A1BHA F 4 .   ? -8.418  5.767   -9.578  0.32 75.40  ? 204 A1BHA B C13 1 
HETATM 1638 C C1  C A1BHA F 4 .   ? -7.529  0.657   -14.205 0.32 85.08  ? 204 A1BHA B C1  1 
HETATM 1639 C C1  D A1BHA F 4 .   ? -7.529  0.657   -14.205 0.32 85.08  ? 204 A1BHA B C1  1 
HETATM 1640 O O1  C A1BHA F 4 .   ? -8.208  1.589   -15.057 0.32 89.97  ? 204 A1BHA B O1  1 
HETATM 1641 O O1  D A1BHA F 4 .   ? -8.208  1.589   -15.057 0.32 89.97  ? 204 A1BHA B O1  1 
HETATM 1642 C C2  C A1BHA F 4 .   ? -8.076  2.879   -14.727 0.32 89.96  ? 204 A1BHA B C2  1 
HETATM 1643 C C2  D A1BHA F 4 .   ? -8.076  2.879   -14.727 0.32 89.96  ? 204 A1BHA B C2  1 
HETATM 1644 C C3  C A1BHA F 4 .   ? -7.626  3.852   -15.589 0.32 86.82  ? 204 A1BHA B C3  1 
HETATM 1645 C C3  D A1BHA F 4 .   ? -7.626  3.852   -15.589 0.32 86.82  ? 204 A1BHA B C3  1 
HETATM 1646 O O2  C A1BHA F 4 .   ? -5.871  5.776   -16.668 0.32 87.97  ? 204 A1BHA B O2  1 
HETATM 1647 O O2  D A1BHA F 4 .   ? -5.871  5.776   -16.668 0.32 87.97  ? 204 A1BHA B O2  1 
HETATM 1648 N N2  C A1BHA F 4 .   ? -6.963  5.450   -20.113 0.32 89.16  ? 204 A1BHA B N2  1 
HETATM 1649 N N2  D A1BHA F 4 .   ? -6.963  5.450   -20.113 0.32 89.16  ? 204 A1BHA B N2  1 
HETATM 1650 C C9  C A1BHA F 4 .   ? -7.006  5.457   -18.782 0.32 86.60  ? 204 A1BHA B C9  1 
HETATM 1651 C C9  D A1BHA F 4 .   ? -7.006  5.457   -18.782 0.32 86.60  ? 204 A1BHA B C9  1 
HETATM 1652 N N4  C A1BHA F 4 .   ? -8.544  4.635   -11.743 0.32 78.95  ? 204 A1BHA B N4  1 
HETATM 1653 N N4  D A1BHA F 4 .   ? -8.544  4.635   -11.743 0.32 78.95  ? 204 A1BHA B N4  1 
HETATM 1654 C C11 C A1BHA F 4 .   ? -9.328  3.667   -10.974 0.32 76.02  ? 204 A1BHA B C11 1 
HETATM 1655 C C11 D A1BHA F 4 .   ? -9.328  3.667   -10.974 0.32 76.02  ? 204 A1BHA B C11 1 
HETATM 1656 C C12 C A1BHA F 4 .   ? -8.728  3.385   -9.611  0.32 74.36  ? 204 A1BHA B C12 1 
HETATM 1657 C C12 D A1BHA F 4 .   ? -8.728  3.385   -9.611  0.32 74.36  ? 204 A1BHA B C12 1 
HETATM 1658 N N5  C A1BHA F 4 .   ? -7.884  4.480   -9.144  0.32 74.83  ? 204 A1BHA B N5  1 
HETATM 1659 N N5  D A1BHA F 4 .   ? -7.884  4.480   -9.144  0.32 74.83  ? 204 A1BHA B N5  1 
HETATM 1660 C C14 C A1BHA F 4 .   ? -8.310  5.917   -11.082 0.32 76.61  ? 204 A1BHA B C14 1 
HETATM 1661 C C14 D A1BHA F 4 .   ? -8.310  5.917   -11.082 0.32 76.61  ? 204 A1BHA B C14 1 
HETATM 1662 N N6  C A1BHA F 4 .   ? -8.375  3.141   -13.467 0.32 85.71  ? 204 A1BHA B N6  1 
HETATM 1663 N N6  D A1BHA F 4 .   ? -8.375  3.141   -13.467 0.32 85.71  ? 204 A1BHA B N6  1 
HETATM 1664 O O   . HOH   G 5 .   ? -23.018 -2.530  -36.214 1.00 102.03 ? 101 HOH   A O   1 
HETATM 1665 O O   . HOH   G 5 .   ? -23.463 18.384  -19.041 1.00 72.08  ? 102 HOH   A O   1 
HETATM 1666 O O   . HOH   G 5 .   ? -7.939  -0.273  3.815   1.00 71.15  ? 103 HOH   A O   1 
HETATM 1667 O O   . HOH   G 5 .   ? -2.212  -4.777  -6.284  1.00 65.00  ? 104 HOH   A O   1 
HETATM 1668 O O   . HOH   G 5 .   ? -6.574  -9.448  -3.067  1.00 64.86  ? 105 HOH   A O   1 
HETATM 1669 O O   . HOH   G 5 .   ? -30.426 -0.099  -29.469 1.00 61.64  ? 106 HOH   A O   1 
HETATM 1670 O O   . HOH   G 5 .   ? -27.670 -6.693  -28.384 1.00 62.46  ? 107 HOH   A O   1 
HETATM 1671 O O   . HOH   G 5 .   ? -23.252 8.735   -27.364 1.00 54.53  ? 108 HOH   A O   1 
HETATM 1672 O O   . HOH   G 5 .   ? -3.659  -4.417  0.347   1.00 82.27  ? 109 HOH   A O   1 
HETATM 1673 O O   . HOH   G 5 .   ? -2.629  -12.103 -6.852  1.00 51.92  ? 110 HOH   A O   1 
HETATM 1674 O O   . HOH   G 5 .   ? -3.391  -14.944 -25.056 1.00 64.63  ? 111 HOH   A O   1 
HETATM 1675 O O   . HOH   G 5 .   ? -6.193  -0.835  -10.511 1.00 69.45  ? 112 HOH   A O   1 
HETATM 1676 O O   . HOH   G 5 .   ? -30.238 0.056   -23.352 1.00 81.05  ? 113 HOH   A O   1 
HETATM 1677 O O   . HOH   G 5 .   ? -28.965 15.084  -15.077 1.00 81.36  ? 114 HOH   A O   1 
HETATM 1678 O O   . HOH   G 5 .   ? -5.864  1.488   -9.833  1.00 75.98  ? 115 HOH   A O   1 
HETATM 1679 O O   . HOH   G 5 .   ? -8.882  -5.996  1.904   1.00 82.98  ? 116 HOH   A O   1 
HETATM 1680 O O   A HOH   G 5 .   ? -8.156  3.774   -7.849  0.18 53.07  ? 117 HOH   A O   1 
HETATM 1681 O O   B HOH   G 5 .   ? -8.156  3.774   -7.849  0.18 53.07  ? 117 HOH   A O   1 
HETATM 1682 O O   . HOH   G 5 .   ? -4.806  -10.536 -5.310  1.00 52.62  ? 118 HOH   A O   1 
HETATM 1683 O O   . HOH   G 5 .   ? -3.382  -9.396  -3.113  1.00 78.41  ? 119 HOH   A O   1 
HETATM 1684 O O   . HOH   G 5 .   ? -9.214  1.339   -7.709  1.00 57.84  ? 120 HOH   A O   1 
HETATM 1685 O O   . HOH   G 5 .   ? -21.353 -9.557  -34.993 1.00 72.33  ? 121 HOH   A O   1 
HETATM 1686 O O   . HOH   G 5 .   ? -4.307  -1.595  0.146   1.00 68.01  ? 122 HOH   A O   1 
HETATM 1687 O O   . HOH   H 5 .   ? -30.618 11.784  -19.185 1.00 58.92  ? 301 HOH   B O   1 
HETATM 1688 O O   . HOH   H 5 .   ? -25.457 -8.811  -16.802 1.00 52.56  ? 302 HOH   B O   1 
HETATM 1689 O O   . HOH   H 5 .   ? -31.038 6.779   -5.179  1.00 81.74  ? 303 HOH   B O   1 
HETATM 1690 O O   . HOH   H 5 .   ? -19.106 -12.955 -26.087 1.00 67.63  ? 304 HOH   B O   1 
HETATM 1691 O O   . HOH   H 5 .   ? -33.382 0.920   -15.637 1.00 53.06  ? 305 HOH   B O   1 
HETATM 1692 O O   . HOH   H 5 .   ? -8.501  -6.649  -25.180 1.00 71.65  ? 306 HOH   B O   1 
HETATM 1693 O O   . HOH   H 5 .   ? -35.005 -2.658  -17.246 1.00 96.01  ? 307 HOH   B O   1 
HETATM 1694 O O   . HOH   H 5 .   ? -15.708 -10.452 -15.203 1.00 64.61  ? 308 HOH   B O   1 
HETATM 1695 O O   . HOH   H 5 .   ? -23.367 -7.250  -4.805  1.00 67.79  ? 309 HOH   B O   1 
HETATM 1696 O O   . HOH   H 5 .   ? -15.005 -5.250  1.498   1.00 55.67  ? 310 HOH   B O   1 
HETATM 1697 O O   . HOH   H 5 .   ? -21.750 6.827   -0.290  1.00 76.45  ? 311 HOH   B O   1 
HETATM 1698 O O   . HOH   H 5 .   ? -12.135 -3.912  -10.041 1.00 61.40  ? 312 HOH   B O   1 
HETATM 1699 O O   . HOH   H 5 .   ? -17.203 12.312  -5.400  1.00 65.53  ? 313 HOH   B O   1 
HETATM 1700 O O   . HOH   H 5 .   ? -11.161 6.679   -14.117 1.00 73.24  ? 314 HOH   B O   1 
HETATM 1701 O O   . HOH   H 5 .   ? -27.091 -6.774  -18.900 1.00 51.59  ? 315 HOH   B O   1 
HETATM 1702 O O   . HOH   H 5 .   ? -12.671 -2.532  -14.755 1.00 50.83  ? 316 HOH   B O   1 
HETATM 1703 O O   . HOH   H 5 .   ? -7.306  -11.382 -5.576  1.00 68.01  ? 317 HOH   B O   1 
HETATM 1704 O O   . HOH   H 5 .   ? -14.760 15.662  -19.841 1.00 80.86  ? 318 HOH   B O   1 
HETATM 1705 O O   . HOH   H 5 .   ? -16.113 20.278  -14.250 1.00 58.64  ? 319 HOH   B O   1 
HETATM 1706 O O   . HOH   H 5 .   ? -21.435 -14.335 -21.721 1.00 61.98  ? 320 HOH   B O   1 
HETATM 1707 O O   . HOH   H 5 .   ? -15.539 -14.172 -30.844 1.00 62.74  ? 321 HOH   B O   1 
HETATM 1708 O O   . HOH   H 5 .   ? -15.990 -15.309 -16.465 1.00 59.75  ? 322 HOH   B O   1 
HETATM 1709 O O   . HOH   H 5 .   ? -18.005 14.380  -22.134 1.00 51.00  ? 323 HOH   B O   1 
HETATM 1710 O O   . HOH   H 5 .   ? -34.829 4.080   -10.664 1.00 71.50  ? 324 HOH   B O   1 
HETATM 1711 O O   . HOH   H 5 .   ? -20.987 4.770   -32.687 1.00 75.48  ? 325 HOH   B O   1 
HETATM 1712 O O   . HOH   H 5 .   ? -20.789 -8.424  -5.261  1.00 69.41  ? 326 HOH   B O   1 
HETATM 1713 O O   . HOH   H 5 .   ? -23.471 11.635  -26.420 1.00 79.86  ? 327 HOH   B O   1 
HETATM 1714 O O   . HOH   H 5 .   ? -10.730 11.367  -19.131 1.00 60.77  ? 328 HOH   B O   1 
HETATM 1715 O O   . HOH   H 5 .   ? -17.704 -11.515 -16.364 1.00 49.13  ? 329 HOH   B O   1 
HETATM 1716 O O   . HOH   H 5 .   ? -21.083 -12.907 -13.208 1.00 73.35  ? 330 HOH   B O   1 
HETATM 1717 O O   . HOH   H 5 .   ? -16.700 14.488  -30.697 1.00 54.07  ? 331 HOH   B O   1 
HETATM 1718 O O   . HOH   H 5 .   ? -26.752 -7.267  -5.479  1.00 66.78  ? 332 HOH   B O   1 
HETATM 1719 O O   . HOH   H 5 .   ? -11.862 1.581   -5.585  1.00 68.69  ? 333 HOH   B O   1 
HETATM 1720 O O   . HOH   H 5 .   ? -30.383 12.099  -16.609 1.00 66.77  ? 334 HOH   B O   1 
HETATM 1721 O O   . HOH   H 5 .   ? -18.521 18.469  -20.981 1.00 87.38  ? 335 HOH   B O   1 
HETATM 1722 O O   . HOH   H 5 .   ? -35.449 -6.059  -11.074 1.00 90.32  ? 336 HOH   B O   1 
HETATM 1723 O O   . HOH   H 5 .   ? -19.317 24.160  -16.530 1.00 87.61  ? 337 HOH   B O   1 
HETATM 1724 O O   . HOH   H 5 .   ? -10.377 -18.858 -11.689 1.00 58.70  ? 338 HOH   B O   1 
HETATM 1725 O O   . HOH   H 5 .   ? -14.201 -13.095 -16.392 1.00 62.61  ? 339 HOH   B O   1 
HETATM 1726 O O   . HOH   H 5 .   ? -14.267 -6.915  -0.865  1.00 70.86  ? 340 HOH   B O   1 
HETATM 1727 O O   . HOH   H 5 .   ? -28.264 -4.564  -22.280 1.00 76.21  ? 341 HOH   B O   1 
HETATM 1728 O O   . HOH   H 5 .   ? -29.267 -1.813  -19.237 1.00 69.69  ? 342 HOH   B O   1 
HETATM 1729 O O   . HOH   H 5 .   ? -15.884 -7.827  -8.337  1.00 64.76  ? 343 HOH   B O   1 
HETATM 1730 O O   . HOH   H 5 .   ? -18.542 24.533  -14.337 1.00 62.76  ? 344 HOH   B O   1 
HETATM 1731 O O   . HOH   H 5 .   ? -32.062 -7.218  -7.042  1.00 63.83  ? 345 HOH   B O   1 
HETATM 1732 O O   . HOH   H 5 .   ? -30.873 4.103   -3.024  1.00 61.57  ? 346 HOH   B O   1 
HETATM 1733 O O   . HOH   H 5 .   ? -16.458 25.920  -13.730 1.00 89.36  ? 347 HOH   B O   1 
HETATM 1734 O O   . HOH   H 5 .   ? -20.233 1.703   -32.784 1.00 68.83  ? 348 HOH   B O   1 
HETATM 1735 O O   . HOH   H 5 .   ? -19.136 -14.095 -22.844 1.00 64.65  ? 349 HOH   B O   1 
HETATM 1736 O O   . HOH   H 5 .   ? -29.547 -7.889  -6.090  1.00 66.19  ? 350 HOH   B O   1 
HETATM 1737 O O   . HOH   H 5 .   ? -25.902 -5.453  -4.127  1.00 65.91  ? 351 HOH   B O   1 
HETATM 1738 O O   . HOH   H 5 .   ? 0.544   -1.117  -13.501 1.00 83.72  ? 352 HOH   B O   1 
HETATM 1739 O O   . HOH   H 5 .   ? -8.871  -11.497 -7.479  1.00 73.70  ? 353 HOH   B O   1 
HETATM 1740 O O   . HOH   H 5 .   ? -11.004 -5.520  -8.223  1.00 73.49  ? 354 HOH   B O   1 
HETATM 1741 O O   . HOH   H 5 .   ? -34.938 -0.593  -7.087  1.00 79.40  ? 355 HOH   B O   1 
HETATM 1742 O O   . HOH   H 5 .   ? -29.465 -5.694  -1.112  1.00 90.13  ? 356 HOH   B O   1 
HETATM 1743 O O   . HOH   H 5 .   ? -27.575 8.506   0.369   1.00 69.75  ? 357 HOH   B O   1 
HETATM 1744 O O   . HOH   H 5 .   ? -23.777 -15.926 -17.605 1.00 70.52  ? 358 HOH   B O   1 
HETATM 1745 O O   . HOH   H 5 .   ? -30.828 -11.602 -27.033 0.50 96.07  ? 359 HOH   B O   1 
HETATM 1746 O O   . HOH   H 5 .   ? -19.332 -6.487  -0.765  1.00 62.86  ? 360 HOH   B O   1 
HETATM 1747 O O   . HOH   H 5 .   ? -1.230  -15.663 -9.792  1.00 59.42  ? 361 HOH   B O   1 
HETATM 1748 O O   . HOH   H 5 .   ? -11.106 5.210   -5.251  1.00 110.13 ? 362 HOH   B O   1 
HETATM 1749 O O   . HOH   H 5 .   ? -16.188 15.774  -21.413 1.00 75.01  ? 363 HOH   B O   1 
HETATM 1750 O O   . HOH   H 5 .   ? -18.562 -12.361 -13.991 1.00 81.20  ? 364 HOH   B O   1 
HETATM 1751 O O   . HOH   H 5 .   ? -11.486 -7.614  2.162   1.00 73.92  ? 365 HOH   B O   1 
HETATM 1752 O O   . HOH   H 5 .   ? -21.215 3.433   0.000   0.50 87.49  ? 366 HOH   B O   1 
HETATM 1753 O O   . HOH   H 5 .   ? -11.264 13.738  -14.553 1.00 75.70  ? 367 HOH   B O   1 
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